0 B13R0.54 C#CCCCCCCCNCC(=O)N 2230a_100000711301_100153394163 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,0,0,0,0,0|1,0,2]=3 2 B13R0.54 C#CCCCCCCCOCC(=O)C 34a_100000211253_100153394163 [0,0,0,0,0,0|2,0,2]=4 3 B13R0.54 C#CCCCCCCCOCC(=O)N 34a_100000054614_100000187820 [0,0,0,0,0,0|2,0,2]=4 4 B13R0.54 C#CCCCCCCCOCC(=O)N 7a_100000054614_100000187820 [0,0,0,0,0,0|2,0,2]=4 5 B13R0.54 C#CCCCCCCCOCC(=O)[O-] 34a_100000054614_100020667443 [0,0,0,0,0,0|1,0,3]=4 6 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100000747473_100153394163 [0,0,0,0,0,0|2,0,2]=4 7 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100153394163_100000747473 [0,0,0,0,0,0|2,0,2]=4 8 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100020667443_100153394163 [0,0,0,0,0,0|1,0,3]=4 9 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100153394163_100020667443 [0,0,0,0,0,0|1,0,3]=4 10 B13R0.54 C#CCCCCCCNOCC(=O)O 269956a_100000106656_100012276617 [0,0,0,0,0,0|2,0,2]=4 11 B13R0.54 C#CCCCCCCOCCC(=O)C 34a_100000759926_100012276617 [0,0,0,0,0,0|2,0,2]=4 12 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100000759926_100012276617 [0,0,0,0,0,0|2,0,2]=4 13 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100011217361_100000053229 [0,0,0,0,0,0|2,0,2]=4 14 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100000757172_100012276617 [0,0,0,0,0,0|2,0,2]=4 15 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100011217361_100000731001 [0,0,0,0,0,0|2,0,2]=4 16 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100000757172_100012276617 [0,0,0,0,0,0|2,0,2]=4 17 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100011217361_100000744528 [0,0,0,0,0,0|2,0,2]=4 18 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100000053229_100012276617 [0,0,0,0,0,0|2,0,2]=4 19 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100012276617_100000053229 [0,0,0,0,0,0|2,0,2]=4 20 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100000744528_100012276617 [0,0,0,0,0,0|2,0,2]=4 21 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100012276617_100000744528 [0,0,0,0,0,0|2,0,2]=4 22 B13R0.54 C#CCCCCCNCCCC(=O)N 34a_100000739312_100012094781 [0,0,0,0,0,0|2,0,2]=4 23 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000759063_100012094781 [0,0,0,0,0,0|2,0,2]=4 24 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000766912_100000685027 [0,0,0,0,0,0|2,0,2]=4 25 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000759063_100012094781 [0,0,0,0,0,0|2,0,2]=4 26 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000766912_100011215641 [0,0,0,0,0,0|2,0,2]=4 27 B13R0.54 C#CCCCCCOCCCC(=O)N 34a_100000766912_100102525003 [0,0,0,0,0,0|2,0,2]=4 28 B13R0.54 C#CCCCCCOCCCC(=O)N 7a_100000766912_100102525003 [0,0,0,0,0,0|2,0,2]=4 29 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100011215641_100012094781 [0,0,0,0,0,0|2,0,2]=4 30 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100012094781_100011215641 [0,0,0,0,0,0|2,0,2]=4 31 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100012094781_100102525003 [0,0,0,0,0,0|2,0,2]=4 32 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100102525003_100012094781 [0,0,0,0,0,0|2,0,2]=4 33 B13R0.54 C#CCCCCNCCCCC(=O)C 34a_100000706060_100009817362 [0,0,0,0,0,0|2,0,2]=4 34 B13R0.54 C#CCCCCNCCCCC(=O)N 34a_100000696515_100010269958 [0,0,0,0,0,0|2,0,2]=4 35 B13R0.54 C#CCCCCNCCOCC(=O)O 269956a_100000700818_100010269958 [0,0,0,0,0,0|2,0,2]=4 36 B13R0.54 C#CCCCCOCCCCC(=O)C 34a_100000766709_100009817362 [0,0,0,0,0,0|2,0,2]=4 37 B13R0.54 C#CCCCCOCCCCC(=O)C 7a_100000766709_100000735457 [0,0,0,0,0,0|2,0,2]=4 38 B13R0.54 C#CCCCCOCCCCC(=O)N 34a_100012022536_100010269958 [0,0,0,0,0,0|2,0,2]=4 39 B13R0.54 C#CCCCCOCCCCC(=O)N 7a_100012022536_100010269958 [0,0,0,0,0,0|2,0,2]=4 40 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100000735457_100010269958 [0,0,0,0,0,0|2,0,2]=4 41 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100010269958_100000735457 [0,0,0,0,0,0|2,0,2]=4 42 B13R0.54 C#CCCCNCCCCCC(=O)N 34a_100000718082_100009817443 [0,0,0,0,0,0|2,0,2]=4 43 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000123541_100000695029 [0,0,0,0,0,0|2,0,2]=4 44 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000215630_100009817443 [0,0,0,0,0,0|2,0,2]=4 45 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000123541_100011215417 [0,0,0,0,0,0|2,0,2]=4 46 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000215630_100009817443 [0,0,0,0,0,0|2,0,2]=4 47 B13R0.54 C#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215417 [0,0,0,0,0,0|1,0,3]=4 48 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100009817443_100011215417 [0,0,0,0,0,0|2,0,2]=4 49 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100011215417_100009817443 [0,0,0,0,0,0|2,0,2]=4 50 B13R0.54 C/C=C/CCOCCCCCC(=O)N 34a_100016278192_100009817443 [0,0,0,0,0,0|2,0,2]=4 51 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,0,0,0,0,0|3,0,0]=3 52 B13R0.54 C=C(Br)CCOCCCCCCCO 34a_100009813270_100000760002 [0,0,0,0,0,0|4,0,0]=4 53 B13R0.54 C=C(Br)CCOCCCCCCOC 34a_100009813270_100011998445 [0,0,0,0,0,0|4,0,0]=4 54 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,0,0,0,0,0|3,0,0]=3 55 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,0,0,0,0,0|3,0,0]=3 56 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,0,0,0,0,0|4,0,0]=4 57 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,0,0,0,0,0|4,0,0]=4 58 B13R0.54 C=C(C)CCNCCCOCCCC 2230a_200000211371_100000730704 [0,0,0,0,0,0|4,0,0]=4 59 B13R0.54 C=C(C)CCNCCCOCCCC 34a_200000211371_100000730704 [0,0,0,0,0,0|4,0,0]=4 60 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,0,0,0,0,0|4,0,0]=4 61 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,0,0,0,0,0|4,0,0]=4 62 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,0,0,0,0,0|3,0,0]=3 63 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,0,0,0,0,0|3,0,0]=3 64 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,0,0,0,0,0|3,0,0]=3 65 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,0,0,0,0,0|4,0,0]=4 66 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,0,0,0,0,0|4,0,0]=4 67 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,0,0,0,0,0|4,0,0]=4 68 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,0,0,0,0,0|4,0,0]=4 69 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,0,0,0,0,0|4,0,0]=4 70 B13R0.54 C=C(C)CCOCCCOCCCC 34a_200011215613_100000730704 [0,0,0,0,0,0|4,0,0]=4 71 B13R0.54 C=C(C)CCOCCCOCCCC 7a_200011215613_100000730704 [0,0,0,0,0,0|4,0,0]=4 72 B13R0.54 C=C(C)CCOCCNCCCCC 34a_100000224656_100000730704 [0,0,0,0,0,0|4,0,0]=4 73 B13R0.54 C=C(C)CCOCCOCCCCC 34a_100011215259_100000730704 [0,0,0,0,0,0|4,0,0]=4 74 B13R0.54 C=C(C)CCOCCOCCCCC 7a_100011215259_100000730704 [0,0,0,0,0,0|4,0,0]=4 75 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,0,0,0,0,0|4,0,0]=4 76 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,0,0,0,0,0|4,0,0]=4 77 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,0,0,0,0,0|4,0,0]=4 78 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,0,0,0,0,0|4,0,0]=4 79 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,0,0,0,0,0|3,0,0]=3 80 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,0,0,0,0,0|3,0,0]=3 81 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,0,0,0,0,0|4,0,0]=4 82 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,0,0,0,0,0|4,0,0]=4 83 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,0,0,0,0,0|4,0,0]=4 84 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,0,0,0,0,0|4,0,0]=4 85 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,0,0,0,0,0|3,0,0]=3 86 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,0,0,0,0,0|3,0,0]=3 87 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,0,0,0,0,0|3,0,0]=3 88 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,0,0,0,0,0|4,0,0]=4 89 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,0,0,0,0,0|4,0,0]=4 90 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,0,0,0,0,0|4,0,0]=4 91 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,0,0,0,0,0|4,0,0]=4 92 B13R0.54 C=C(C)COCCCCNCCCC 34a_200011216965_100000748629 [0,0,0,0,0,0|4,0,0]=4 93 B13R0.54 C=C(C)COCCCCOCCCC 34a_200000760531_100000748629 [0,0,0,0,0,0|4,0,0]=4 94 B13R0.54 C=C(C)COCCCCOCCCC 7a_200000760531_100000748629 [0,0,0,0,0,0|4,0,0]=4 95 B13R0.54 C=C(C)COCCOCCCCCC 34a_100000691444_100000748629 [0,0,0,0,0,0|4,0,0]=4 96 B13R0.54 C=C(C)COCCOCCCCCC 7a_100000691444_100000748629 [0,0,0,0,0,0|4,0,0]=4 97 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,0,0,0,0,0|4,0,0]=4 98 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,0,0,0,0,0|4,0,0]=4 99 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,0,0,0,0,0|3,0,0]=3 100 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,0,0,0,0,0|3,0,0]=3 101 B13R0.54 C=C(F)CNCCCCCCCCO 2230a_102515433106_100009893438 [0,0,0,0,0,0|4,0,0]=4 102 B13R0.54 C=C(F)CNCCCCCCCCO 34a_102515433106_100009893438 [0,0,0,0,0,0|4,0,0]=4 103 B13R0.54 C=C(F)COCCCCCCCCBr 34a_100009813846_100009893438 [0,0,0,0,0,0|4,0,0]=4 104 B13R0.54 C=C(F)COCCCCCCCCBr 7a_100009813846_100000042424 [0,0,0,0,0,0|4,0,0]=4 105 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,0,0,0,0,0|3,0,0]=3 106 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,0,0,0,0,0|3,0,0]=3 107 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,0,0,0,0,0|3,0,0]=3 108 B13R0.54 C=C(F)COCCCCCCCCCl 34a_100000033203_100009893438 [0,0,0,0,0,0|4,0,0]=4 109 B13R0.54 C=C(F)COCCCCCCCCCl 7a_100000033203_100000042424 [0,0,0,0,0,0|4,0,0]=4 110 B13R0.54 C=C(F)COCCCCCCCCN 34a_102515433106_100009893438 [0,0,0,0,0,0|4,0,0]=4 111 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [0,0,0,0,0,0|4,0,0]=4 112 B13R0.54 C=C(F)COCCCCNCCCC 34a_200011216965_100009893438 [0,0,0,0,0,0|4,0,0]=4 113 B13R0.54 C=C(F)COCCCCOCCCC 34a_200000760531_100009893438 [0,0,0,0,0,0|4,0,0]=4 114 B13R0.54 C=C(F)COCCCCOCCCC 7a_200000760531_100000042424 [0,0,0,0,0,0|4,0,0]=4 115 B13R0.54 C=C(F)COCCOCCCCCC 34a_100000691444_100009893438 [0,0,0,0,0,0|4,0,0]=4 116 B13R0.54 C=C(F)COCCOCCCCCC 7a_100000691444_100000042424 [0,0,0,0,0,0|4,0,0]=4 117 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,0,0,0,0,0|3,0,0]=3 118 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000033203_100000042424 [0,0,0,0,0,0|4,0,0]=4 119 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000042424_100000033203 [0,0,0,0,0,0|4,0,0]=4 120 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,0,0,0,0,0|1,0,2]=3 121 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [0,0,0,0,0,0|2,0,2]=4 122 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,0,0,0,0,0|1,0,2]=3 123 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,0,0,0,0,0|2,0,2]=4 124 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,0,0,0,0,0|2,0,2]=4 125 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,0,0,0,0,0|2,0,2]=4 126 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,0,0,0,0,0|1,0,3]=4 127 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [0,0,0,0,0,0|2,0,2]=4 128 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [0,0,0,0,0,0|2,0,2]=4 129 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [0,0,0,0,0,0|1,0,3]=4 130 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [0,0,0,0,0,0|1,0,3]=4 131 B13R0.54 C=CCCCCCCNOCC(=O)O 269956a_100000106656_100011215473 [0,0,0,0,0,0|2,0,2]=4 132 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,0,0,0,0,0|2,0,2]=4 133 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,0,0,0,0,0|2,0,2]=4 134 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,0,0,0,0,0|2,0,2]=4 135 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [0,0,0,0,0,0|2,0,2]=4 136 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [0,0,0,0,0,0|2,0,2]=4 137 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [0,0,0,0,0,0|2,0,2]=4 138 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [0,0,0,0,0,0|2,0,2]=4 139 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,0,0,0,0,0|2,0,2]=4 140 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,0,0,0,0,0|2,0,2]=4 141 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [0,0,0,0,0,0|2,0,2]=4 142 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [0,0,0,0,0,0|2,0,2]=4 143 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [0,0,0,0,0,0|2,0,2]=4 144 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,0,0,0,0,0|2,0,2]=4 145 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,0,0,0,0,0|2,0,2]=4 146 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,0,0,0,0,0|2,0,2]=4 147 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,0,0,0,0,0|2,0,2]=4 148 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [0,0,0,0,0,0|2,0,2]=4 149 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [0,0,0,0,0,0|2,0,2]=4 150 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,0,0,0,0,0|2,0,2]=4 151 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,0,0,0,0,0|2,0,2]=4 152 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [0,0,0,0,0,0|2,0,2]=4 153 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [0,0,0,0,0,0|2,0,2]=4 154 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,0,0,0,0,0|2,0,2]=4 155 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [0,0,0,0,0,0|2,0,2]=4 156 B13R0.54 C=CCCCCNCCOCC(=O)O 269956a_100000700818_100011215482 [0,0,0,0,0,0|2,0,2]=4 157 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,0,0,0,0,0|2,0,2]=4 158 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,0,0,0,0,0|2,0,2]=4 159 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [0,0,0,0,0,0|2,0,2]=4 160 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [0,0,0,0,0,0|2,0,2]=4 161 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,0,0,0,0,0|2,0,2]=4 162 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,0,0,0,0,0|2,0,2]=4 163 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [0,0,0,0,0,0|2,0,2]=4 164 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [0,0,0,0,0,0|2,0,2]=4 165 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [0,0,0,0,0,0|2,0,2]=4 166 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [0,0,0,0,0,0|2,0,2]=4 167 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [0,0,0,0,0,0|2,0,2]=4 168 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [0,0,0,0,0,0|2,0,2]=4 169 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [0,0,0,0,0,0|1,0,3]=4 170 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [0,0,0,0,0,0|2,0,2]=4 171 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [0,0,0,0,0,0|2,0,2]=4 172 B13R0.54 CC#CCCOCCCCCC(=O)N 34a_100000750427_100009817443 [0,0,0,0,0,0|2,0,2]=4 173 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,0,0,0,0,0|2,0,0]=2 174 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,0,0,0,0,0|3,0,0]=3 175 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [0,0,0,0,0,0|4,0,0]=4 176 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,0,0,0,0,0|3,0,0]=3 177 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,0,0,0,0,0|3,0,0]=3 178 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,0,0,0,0,0|3,0,0]=3 179 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,0,0,0,0,0|3,0,0]=3 180 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,0,0,0,0,0|3,0,0]=3 181 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,0,0,0,0,0|3,0,0]=3 182 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,0,0,0,0,0|3,0,0]=3 183 B13R0.54 CC(=O)CCCCOCCOCCBr 34a_100000692535_100009817362 [0,0,0,0,0,0|4,0,0]=4 184 B13R0.54 CC(=O)CCCCOCCOCCBr 7a_100000692535_100000735457 [0,0,0,0,0,0|4,0,0]=4 185 B13R0.54 CC(=O)CCCCOCCOCCCl 34a_100011215305_100009817362 [0,0,0,0,0,0|4,0,0]=4 186 B13R0.54 CC(=O)CCCCOCCOCCCl 7a_100011215305_100000735457 [0,0,0,0,0,0|4,0,0]=4 187 B13R0.54 CC(=O)CCCCOCCOCCF 34a_200015357709_100009817362 [0,0,0,0,0,0|4,0,0]=4 188 B13R0.54 CC(=O)CCCCOCCOCCF 7a_200015357709_100000735457 [0,0,0,0,0,0|4,0,0]=4 189 B13R0.54 CC(=O)CCCCOCCOCCI 34a_100012149058_100009817362 [0,0,0,0,0,0|4,0,0]=4 190 B13R0.54 CC(=O)CCCCOCCOCCI 7a_100012149058_100000735457 [0,0,0,0,0,0|4,0,0]=4 191 B13R0.54 CC(=O)CCCCOCCOCCN 34a_100000211614_100009817362 [0,0,0,0,0,0|4,0,0]=4 192 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100000735457_100000211819 [0,0,0,0,0,0|3,0,1]=4 193 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100011219923_100000735457 [0,0,0,0,0,0|3,0,1]=4 194 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,0,0,0,0,0|3,0,1]=4 195 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,0,0,0,0,0|3,0,1]=4 196 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,0,0,0,0,0|3,0,0]=3 197 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,0,0,0,0,0|3,0,0]=3 198 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,0,0,0,0,0|3,0,0]=3 199 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,0,0,0,0,0|3,0,0]=3 200 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [0,0,0,0,0,0|4,0,0]=4 201 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [0,0,0,0,0,0|4,0,0]=4 202 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,0,0,0,0,0|3,0,0]=3 203 B13R0.54 CC(=O)CCCOCCCCCC#N 7a_100000759063_100009813376 [0,0,0,0,0,0|3,0,1]=4 204 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,0,0,0,0,0|3,0,1]=4 205 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,0,0,0,0,0|3,0,0]=3 206 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,0,0,0,0,0|3,0,0]=3 207 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,0,0,0,0,0|3,0,0]=3 208 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,0,0,0,0,0|3,0,0]=3 209 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,0,0,0,0,0|3,0,0]=3 210 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,0,0,0,0,0|3,0,0]=3 211 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,0,0,0,0,0|3,0,0]=3 212 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,0,0,0,0,0|3,0,0]=3 213 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,0,0,0,0,0|3,0,0]=3 214 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,0,0,0,0,0|3,0,0]=3 215 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,0,0,0,0,0|3,0,0]=3 216 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100009813376_100011215641 [0,0,0,0,0,0|3,0,1]=4 217 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100011215641_100009813376 [0,0,0,0,0,0|3,0,1]=4 218 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,0,0,0,0,0|3,0,1]=4 219 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,0,0,0,0,0|3,0,1]=4 220 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,0,0,0,0,0|3,0,0]=3 221 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,0,0,0,0,0|3,0,0]=3 222 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,0,0,0,0,0|3,0,0]=3 223 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,0,0,0,0,0|3,0,0]=3 224 B13R0.54 CC(=O)CCOCCCCCCC#N 7a_100000759926_100009813337 [0,0,0,0,0,0|3,0,1]=4 225 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,0,0,0,0,0|3,0,0]=3 226 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,0,0,0,0,0|3,0,0]=3 227 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,0,0,0,0,0|3,0,0]=3 228 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100000053229_100009813337 [0,0,0,0,0,0|3,0,1]=4 229 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100009813337_100000053229 [0,0,0,0,0,0|3,0,1]=4 230 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,0,0,0,0,0|3,0,0]=3 231 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,0,0,0,0,0|3,0,0]=3 232 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,0,0,0,0,0|3,0,0]=3 233 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,0,0,0,0,0|3,0,0]=3 234 B13R0.54 CC(=O)NCCCCCCNCCF 2230a_200011996284_100011217306 [0,0,0,0,0,0|4,0,0]=4 235 B13R0.54 CC(=O)NCCCCCCNCCF 34a_200011996284_100011217306 [0,0,0,0,0,0|4,0,0]=4 236 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,0,0,0,0,0|4,0,0]=4 237 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,0,0,0,0,0|4,0,0]=4 238 B13R0.54 CC(=O)NCCCCCNCCCF 2230a_200012022750_100011934791 [0,0,0,0,0,0|4,0,0]=4 239 B13R0.54 CC(=O)NCCCCCNCCCF 34a_200012022750_100011934791 [0,0,0,0,0,0|4,0,0]=4 240 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,0,0,0,0,0|4,0,0]=4 241 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,0,0,0,0,0|4,0,0]=4 242 B13R0.54 CC(=O)NCCCCNCCCCF 2230a_200011368371_100000729493 [0,0,0,0,0,0|4,0,0]=4 243 B13R0.54 CC(=O)NCCCCNCCCCF 34a_200011368371_100000729493 [0,0,0,0,0,0|4,0,0]=4 244 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,0,0,0,0,0|4,0,0]=4 245 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,0,0,0,0,0|4,0,0]=4 246 B13R0.54 CC(=O)NCCCNCCCCCF 34a_100000736810_100000729378 [0,0,0,0,0,0|4,0,0]=4 247 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,0,0,0,0,0|4,0,0]=4 248 B13R0.54 CC(=O)NCCCOCCCCCF 34a_100000752032_100000729378 [0,0,0,0,0,0|4,0,0]=4 249 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,0,0,0,0,0|4,0,0]=4 250 B13R0.54 CC(=O)NCCNCCCCCCF 2230a_100000209853_100015922095 [0,0,0,0,0,0|4,0,0]=4 251 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,0,0,0,0,0|4,0,0]=4 252 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,0,0,0,0,0|4,0,0]=4 253 B13R0.54 CC(=O)NCCOCCCCCCBr 7a_100011215345_100000189650 [0,0,0,0,0,0|4,0,0]=4 254 B13R0.54 CC(=O)NCCOCCCCCCCl 7a_100000766143_100000189650 [0,0,0,0,0,0|4,0,0]=4 255 B13R0.54 CC(=O)NCCOCCCCCCF 34a_100000158858_100015922095 [0,0,0,0,0,0|4,0,0]=4 256 B13R0.54 CC(=O)NCCOCCCCCCF 7a_100000732779_100000189650 [0,0,0,0,0,0|4,0,0]=4 257 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,0,0,0,0,0|4,0,0]=4 258 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100000189650_100015922095 [0,0,0,0,0,0|4,0,0]=4 259 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100015922095_100000189650 [0,0,0,0,0,0|4,0,0]=4 260 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,0,0,0,0,0|4,0,0]=4 261 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,0,0,0,0,0|4,0,0]=4 262 B13R0.54 CC(=O)OCCCCCNCCCF 2230a_100015189416_100009813381 [0,0,0,0,0,0|4,0,0]=4 263 B13R0.54 CC(=O)OCCCCCNCCCF 34a_100015189416_100000033007 [0,0,0,0,0,0|4,0,0]=4 264 B13R0.54 CC(=O)OCCCCCOCCCBr 34a_100011217188_100000033007 [0,0,0,0,0,0|4,0,0]=4 265 B13R0.54 CC(=O)OCCCCCOCCCCl 34a_100000230001_100000033007 [0,0,0,0,0,0|4,0,0]=4 266 B13R0.54 CC(=O)OCCCCCOCCCF 34a_100000759539_100000033007 [0,0,0,0,0,0|4,0,0]=4 267 B13R0.54 CC(=O)OCCCCCOCCCN 34a_100000182051_100000033007 [0,0,0,0,0,0|4,0,0]=4 268 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100000033007_100011934791 [0,0,0,0,0,0|4,0,0]=4 269 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100011934791_100000033007 [0,0,0,0,0,0|4,0,0]=4 270 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,0,0,0,0,0|4,0,0]=4 271 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,0,0,0,0,0|4,0,0]=4 272 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,0,0,0,0,0|4,0,0]=4 273 B13R0.54 CC(=O)OCCCCOCCCCBr 34a_100011216708_100000033659 [0,0,0,0,0,0|4,0,0]=4 274 B13R0.54 CC(=O)OCCCCOCCCCCl 34a_100000210776_100000033659 [0,0,0,0,0,0|4,0,0]=4 275 B13R0.54 CC(=O)OCCCCOCCCCCl 7a_100000210776_100000033659 [0,0,0,0,0,0|4,0,0]=4 276 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100000073216_100000729493 [0,0,0,0,0,0|4,0,0]=4 277 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100011995726_100000033659 [0,0,0,0,0,0|4,0,0]=4 278 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100000073216_100000729493 [0,0,0,0,0,0|4,0,0]=4 279 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100011995726_100000033659 [0,0,0,0,0,0|4,0,0]=4 280 B13R0.54 CC(=O)OCCCCOCCCCI 34a_200012148704_100000033659 [0,0,0,0,0,0|4,0,0]=4 281 B13R0.54 CC(=O)OCCCCOCCCCN 34a_100000750430_100000033659 [0,0,0,0,0,0|4,0,0]=4 282 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,0,0,0,0,0|4,0,0]=4 283 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,0,0,0,0,0|4,0,0]=4 284 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000033659_100000729493 [0,0,0,0,0,0|4,0,0]=4 285 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000729493_100000033659 [0,0,0,0,0,0|4,0,0]=4 286 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,0,0,0,0,0|4,0,0]=4 287 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,0,0,0,0,0|4,0,0]=4 288 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,0,0,0,0,0|4,0,0]=4 289 B13R0.54 CC(=O)OCCCOCCCCCBr 34a_100000746331_100000042594 [0,0,0,0,0,0|4,0,0]=4 290 B13R0.54 CC(=O)OCCCOCCCCCBr 7a_100000746331_100000042594 [0,0,0,0,0,0|4,0,0]=4 291 B13R0.54 CC(=O)OCCCOCCCCCCl 34a_100000746330_100000042594 [0,0,0,0,0,0|4,0,0]=4 292 B13R0.54 CC(=O)OCCCOCCCCCCl 7a_100000746330_100000042594 [0,0,0,0,0,0|4,0,0]=4 293 B13R0.54 CC(=O)OCCCOCCCCCI 34a_200012148887_100000042594 [0,0,0,0,0,0|4,0,0]=4 294 B13R0.54 CC(=O)OCCCOCCCCCI 7a_200012148887_100000042594 [0,0,0,0,0,0|4,0,0]=4 295 B13R0.54 CC(=O)OCCCOCCCCCN 34a_100000762737_100000042594 [0,0,0,0,0,0|4,0,0]=4 296 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000042594_100000729378 [0,0,0,0,0,0|4,0,0]=4 297 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000729378_100000042594 [0,0,0,0,0,0|4,0,0]=4 298 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,0,0,0,0,0|4,0,0]=4 299 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,0,0,0,0,0|4,0,0]=4 300 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,0,0,0,0,0|4,0,0]=4 301 B13R0.54 CC(=O)OCCOCCCCCCBr 34a_100011215345_100009814007 [0,0,0,0,0,0|4,0,0]=4 302 B13R0.54 CC(=O)OCCOCCCCCCBr 7a_100011215345_100009814007 [0,0,0,0,0,0|4,0,0]=4 303 B13R0.54 CC(=O)OCCOCCCCCCCl 34a_100000766143_100009814007 [0,0,0,0,0,0|4,0,0]=4 304 B13R0.54 CC(=O)OCCOCCCCCCCl 7a_100000766143_100009814007 [0,0,0,0,0,0|4,0,0]=4 305 B13R0.54 CC(=O)OCCOCCCCCCF 34a_100000732779_100009814007 [0,0,0,0,0,0|4,0,0]=4 306 B13R0.54 CC(=O)OCCOCCCCCCF 7a_100000732779_100009814007 [0,0,0,0,0,0|4,0,0]=4 307 B13R0.54 CC(=O)OCCOCCCCCCN 34a_100000686447_100009814007 [0,0,0,0,0,0|4,0,0]=4 308 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100009814007_100015922095 [0,0,0,0,0,0|4,0,0]=4 309 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100015922095_100009814007 [0,0,0,0,0,0|4,0,0]=4 310 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,0,0,0,0,0|4,0,0]=4 311 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,0,0,0,0,0|4,0,0]=4 312 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,0,0,0,0,0|4,0,0]=4 313 B13R0.54 CC(=O)OCOCCCCCCCBr 34a_100000760002_100009813279 [0,0,0,0,0,0|4,0,0]=4 314 B13R0.54 CC(=O)OCOCCCCCCCN 34a_100011996573_100009813279 [0,0,0,0,0,0|4,0,0]=4 315 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,0,0,0,0,0|4,0,0]=4 316 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,0,0,0,0,0|4,0,0]=4 317 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,0,0,0,0,0|4,0,0]=4 318 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,0,0,0,0,0|4,0,0]=4 319 B13R0.54 CC(=O)SCCCCOCCCCBr 34a_100011216708_200010402107 [0,0,0,0,0,0|4,0,0]=4 320 B13R0.54 CC(=O)SCCCCOCCCCCl 34a_100000210776_200010402107 [0,0,0,0,0,0|4,0,0]=4 321 B13R0.54 CC(=O)SCCCCOCCCCCl 7a_100000210776_200010402107 [0,0,0,0,0,0|4,0,0]=4 322 B13R0.54 CC(=O)SCCCCOCCCCF 34a_100011995726_200010402107 [0,0,0,0,0,0|4,0,0]=4 323 B13R0.54 CC(=O)SCCCCOCCCCF 7a_100011995726_200010402107 [0,0,0,0,0,0|4,0,0]=4 324 B13R0.54 CC(=O)SCCCCOCCCCI 34a_200012148704_200010402107 [0,0,0,0,0,0|4,0,0]=4 325 B13R0.54 CC(=O)SCCCCOCCCCN 34a_100000750430_200010402107 [0,0,0,0,0,0|4,0,0]=4 326 B13R0.54 CC(=O)SCCCCSCCCCF 62a_100000729493_200010402107 [0,0,0,0,0,0|4,0,0]=4 327 B13R0.54 CC(=O)SCCCCSCCCCF 62a_200010402107_100000729493 [0,0,0,0,0,0|4,0,0]=4 328 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,0,0,0,0,0|4,0,0]=4 329 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,0,0,0,0,0|4,0,0]=4 330 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,0,0,0,0,0|4,0,0]=4 331 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,0,0,0,0,0|4,0,0]=4 332 B13R0.54 CC(=O)SCCCOCCCCCBr 34a_100000746331_100000038929 [0,0,0,0,0,0|4,0,0]=4 333 B13R0.54 CC(=O)SCCCOCCCCCBr 7a_100000746331_100000038929 [0,0,0,0,0,0|4,0,0]=4 334 B13R0.54 CC(=O)SCCCOCCCCCCl 34a_100000746330_100000038929 [0,0,0,0,0,0|4,0,0]=4 335 B13R0.54 CC(=O)SCCCOCCCCCCl 7a_100000746330_100000038929 [0,0,0,0,0,0|4,0,0]=4 336 B13R0.54 CC(=O)SCCCOCCCCCI 34a_200012148887_100000038929 [0,0,0,0,0,0|4,0,0]=4 337 B13R0.54 CC(=O)SCCCOCCCCCI 7a_200012148887_100000038929 [0,0,0,0,0,0|4,0,0]=4 338 B13R0.54 CC(=O)SCCCOCCCCCN 34a_100000762737_100000038929 [0,0,0,0,0,0|4,0,0]=4 339 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000038929_100000729378 [0,0,0,0,0,0|4,0,0]=4 340 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000729378_100000038929 [0,0,0,0,0,0|4,0,0]=4 341 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,0,0,0,0,0|4,0,0]=4 342 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,0,0,0,0,0|4,0,0]=4 343 B13R0.54 CC(O)CCCNCCCCCCO 2230a_100000686447_200000718107 [0,0,0,0,0,0|3,0,1]=4 344 B13R0.54 CC(O)CCCNCCCCCCO 34a_100000686447_200000718107 [0,0,0,0,0,0|3,0,1]=4 345 B13R0.54 CC(O)CCCOCCCCCCBr 34a_100011215345_200000718107 [0,0,0,0,0,0|3,0,1]=4 346 B13R0.54 CC(O)CCCOCCCCCCBr 7a_100011215345_200000718107 [0,0,0,0,0,0|3,0,1]=4 347 B13R0.54 CC(O)CCCOCCCCCCCl 34a_100000766143_200000718107 [0,0,0,0,0,0|3,0,1]=4 348 B13R0.54 CC(O)CCCOCCCCCCCl 7a_100000766143_200000718107 [0,0,0,0,0,0|3,0,1]=4 349 B13R0.54 CC(O)CCCOCCCCCCF 34a_100000732779_200000718107 [0,0,0,0,0,0|3,0,1]=4 350 B13R0.54 CC(O)CCCOCCCCCCF 7a_100000732779_200000718107 [0,0,0,0,0,0|3,0,1]=4 351 B13R0.54 CC(O)CCCOCCCCCCN 34a_100000686447_200000718107 [0,0,0,0,0,0|3,0,1]=4 352 B13R0.54 CC(O)CCCSCCCCCCF 62a_100015922095_200000718107 [0,0,0,0,0,0|3,0,1]=4 353 B13R0.54 CC(O)CCCSCCCCCCF 62a_200000718107_100015922095 [0,0,0,0,0,0|3,0,1]=4 354 B13R0.54 CC(O)CCCSCCCCCCO 62a_100000766143_200000718107 [0,0,0,0,0,0|3,0,1]=4 355 B13R0.54 CC(O)CCCSCCCCCCO 62a_200000718107_100000766143 [0,0,0,0,0,0|3,0,1]=4 356 B13R0.54 CC(O)CCNCCCCCCCO 2230a_100011996573_100012276601 [0,0,0,0,0,0|3,0,1]=4 357 B13R0.54 CC(O)CCNCCCCCCCO 2230a_200000755665_100000760002 [0,0,0,0,0,0|3,0,1]=4 358 B13R0.54 CC(O)CCNCCCCCCCO 34a_100011996573_100012276601 [0,0,0,0,0,0|3,0,1]=4 359 B13R0.54 CC(O)CCOCCCCCCCBr 34a_100000760002_100012276601 [0,0,0,0,0,0|3,0,1]=4 360 B13R0.54 CC(O)CCOCCCCCCCBr 7a_100000760002_100012276601 [0,0,0,0,0,0|3,0,1]=4 361 B13R0.54 CC(O)CCOCCCCCCCN 34a_100011996573_100012276601 [0,0,0,0,0,0|3,0,1]=4 362 B13R0.54 CC(O)CCSCCCCCCCO 62a_100000760002_100012276601 [0,0,0,0,0,0|3,0,1]=4 363 B13R0.54 CC(O)CCSCCCCCCCO 62a_100012276601_100000760002 [0,0,0,0,0,0|3,0,1]=4 364 B13R0.54 CC(O)CNCCCCCCCCO 2230a_100000210904_100000033203 [0,0,0,0,0,0|3,0,1]=4 365 B13R0.54 CC(O)CNCCCCCCCCO 2230a_102515433106_100011218427 [0,0,0,0,0,0|3,0,1]=4 366 B13R0.54 CC(O)CNCCCCCCCCO 34a_100000210904_100000033203 [0,0,0,0,0,0|3,0,1]=4 367 B13R0.54 CC(O)CNCCCCCCCCO 34a_102515433106_100011218427 [0,0,0,0,0,0|3,0,1]=4 368 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [0,0,0,0,0,0|3,0,1]=4 369 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [0,0,0,0,0,0|3,0,1]=4 370 B13R0.54 CC(O)COCCCCCCCCCl 34a_100000033203_100011218427 [0,0,0,0,0,0|3,0,1]=4 371 B13R0.54 CC(O)COCCCCCCCCCl 7a_100000033203_100011218427 [0,0,0,0,0,0|3,0,1]=4 372 B13R0.54 CC(O)COCCCCCCCCN 34a_102515433106_100011218427 [0,0,0,0,0,0|3,0,1]=4 373 B13R0.54 CC(O)CSCCCCCCCCO 62a_100000033203_100011218427 [0,0,0,0,0,0|3,0,1]=4 374 B13R0.54 CC(O)CSCCCCCCCCO 62a_100011218427_100000033203 [0,0,0,0,0,0|3,0,1]=4 375 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,0,0,0,0,0|2,0,2]=4 376 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,0,0,0,0,0|2,0,2]=4 377 B13R0.54 CC/C=C/CCCOCCCC(=O)N 34a_100016287902_100102525003 [0,0,0,0,0,0|2,0,2]=4 378 B13R0.54 CC/C=C/CCCOCCCC(=O)N 7a_100016287902_100102525003 [0,0,0,0,0,0|2,0,2]=4 379 B13R0.54 CC/C=C\CCCCCOCC(=O)N 34a_100016268722_100000187820 [0,0,0,0,0,0|2,0,2]=4 380 B13R0.54 CC/C=C\CCCCCOCC(=O)N 7a_100016268722_100000187820 [0,0,0,0,0,0|2,0,2]=4 381 B13R0.54 CC/C=C\CCCCCOCC(=O)[O-] 34a_100016268722_100020667443 [0,0,0,0,0,0|1,0,3]=4 382 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,0,0,0,0,0|2,0,2]=4 383 B13R0.54 CC/C=C\CCCCOCCC(=O)N 34a_100016287862_100000731001 [0,0,0,0,0,0|2,0,2]=4 384 B13R0.54 CC/C=C\CCCCOCCC(=O)N 7a_100016287862_100000744528 [0,0,0,0,0,0|2,0,2]=4 385 B13R0.54 CC/C=C\CCNCCCCC(=O)N 34a_100000696515_100015370543 [0,0,0,0,0,0|2,0,2]=4 386 B13R0.54 CC/C=C\CCNCCOCC(=O)O 269956a_100000700818_100015370543 [0,0,0,0,0,0|2,0,2]=4 387 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,0,0,0,0,0|2,0,2]=4 388 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,0,0,0,0,0|2,0,2]=4 389 B13R0.54 CC/C=C\CCOCCCCC(=O)N 34a_100012022536_100015370543 [0,0,0,0,0,0|2,0,2]=4 390 B13R0.54 CC/C=C\CCOCCCCC(=O)N 7a_100012022536_100015370543 [0,0,0,0,0,0|2,0,2]=4 391 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,0,0,0,0,0|2,0,2]=4 392 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,0,0,0,0,0|2,0,2]=4 393 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100000123541_100103147603 [0,0,0,0,0,0|2,0,2]=4 394 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100016268518_100009817443 [0,0,0,0,0,0|2,0,2]=4 395 B13R0.54 CC/C=C\COCCCCCC(=O)N 7a_100000123541_100103147603 [0,0,0,0,0,0|2,0,2]=4 396 B13R0.54 CC/C=C\COCCCCCC(=O)[O-] 7a_100102619762_100103147603 [0,0,0,0,0,0|1,0,3]=4 397 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100009817443_100103147603 [0,0,0,0,0,0|2,0,2]=4 398 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100103147603_100009817443 [0,0,0,0,0,0|2,0,2]=4 399 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,0,0,0,0,0|2,0,2]=4 400 B13R0.54 CCC#CCCOCCCCC(=O)C 34a_100000036655_100009817362 [0,0,0,0,0,0|2,0,2]=4 401 B13R0.54 CCC#CCCOCCCCC(=O)C 7a_100000036655_100000735457 [0,0,0,0,0,0|2,0,2]=4 402 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000032950_100009817443 [0,0,0,0,0,0|2,0,2]=4 403 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000123541_100009813939 [0,0,0,0,0,0|2,0,2]=4 404 B13R0.54 CCC#CCOCCCCCC(=O)N 7a_100000123541_100009813939 [0,0,0,0,0,0|2,0,2]=4 405 B13R0.54 CCC#CCOCCCCCC(=O)[O-] 7a_100102619762_100009813939 [0,0,0,0,0,0|1,0,3]=4 406 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009813939_100009817443 [0,0,0,0,0,0|2,0,2]=4 407 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009817443_100009813939 [0,0,0,0,0,0|2,0,2]=4 408 B13R0.54 CCC/C=C/COCCCCC(=O)C 34a_100016278788_100009817362 [0,0,0,0,0,0|2,0,2]=4 409 B13R0.54 CCC/C=C/COCCCCC(=O)C 7a_100016278788_100000735457 [0,0,0,0,0,0|2,0,2]=4 410 B13R0.54 CCCC#CCCOCCCC(=O)C 34a_100000042726_100000685027 [0,0,0,0,0,0|2,0,2]=4 411 B13R0.54 CCCC#CCCOCCCC(=O)C 7a_100000042726_100011215641 [0,0,0,0,0,0|2,0,2]=4 412 B13R0.54 CCCC#CCCOCCCC(=O)N 34a_100000042726_100102525003 [0,0,0,0,0,0|2,0,2]=4 413 B13R0.54 CCCC#CCCOCCCC(=O)N 7a_100000042726_100102525003 [0,0,0,0,0,0|2,0,2]=4 414 B13R0.54 CCCC#CCOCCCCC(=O)C 34a_100000034806_100009817362 [0,0,0,0,0,0|2,0,2]=4 415 B13R0.54 CCCC#CCOCCCCC(=O)C 7a_100000034806_100000735457 [0,0,0,0,0,0|2,0,2]=4 416 B13R0.54 CCCC/C=C/COCCCC(=O)C 34a_200016272032_100000685027 [0,0,0,0,0,0|2,0,2]=4 417 B13R0.54 CCCC/C=C/COCCCC(=O)C 7a_200016272032_100011215641 [0,0,0,0,0,0|2,0,2]=4 418 B13R0.54 CCCC/C=C/COCCCC(=O)N 34a_200016272032_100102525003 [0,0,0,0,0,0|2,0,2]=4 419 B13R0.54 CCCC/C=C/COCCCC(=O)N 7a_200016272032_100102525003 [0,0,0,0,0,0|2,0,2]=4 420 B13R0.54 CCCC/C=C\CCOCCC(=O)C 7a_200016286491_100000053229 [0,0,0,0,0,0|2,0,2]=4 421 B13R0.54 CCCC/C=C\CCOCCC(=O)N 34a_200016286491_100000731001 [0,0,0,0,0,0|2,0,2]=4 422 B13R0.54 CCCC/C=C\CCOCCC(=O)N 7a_200016286491_100000744528 [0,0,0,0,0,0|2,0,2]=4 423 B13R0.54 CCCCC#CCCCNCC(=O)N 2230a_100000711301_200000047210 [0,0,0,0,0,0|2,0,2]=4 424 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [0,0,0,0,0,0|1,0,2]=3 425 B13R0.54 CCCCC#CCCCOCC(=O)C 34a_100000211253_200000047210 [0,0,0,0,0,0|2,0,2]=4 426 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_100000747473_200000047210 [0,0,0,0,0,0|2,0,2]=4 427 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_200000047210_100000747473 [0,0,0,0,0,0|2,0,2]=4 428 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_100020667443_200000047210 [0,0,0,0,0,0|1,0,3]=4 429 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_200000047210_100020667443 [0,0,0,0,0,0|1,0,3]=4 430 B13R0.54 CCCCC#CCCOCCC(=O)C 7a_100000037610_100000053229 [0,0,0,0,0,0|2,0,2]=4 431 B13R0.54 CCCCC#CCCOCCC(=O)N 34a_100000037610_100000731001 [0,0,0,0,0,0|2,0,2]=4 432 B13R0.54 CCCCC#CCCOCCC(=O)N 7a_100000037610_100000744528 [0,0,0,0,0,0|2,0,2]=4 433 B13R0.54 CCCCC#CCOCCCC(=O)C 34a_200000034558_100000685027 [0,0,0,0,0,0|2,0,2]=4 434 B13R0.54 CCCCC#CCOCCCC(=O)C 7a_200000034558_100011215641 [0,0,0,0,0,0|2,0,2]=4 435 B13R0.54 CCCCC#CCOCCCC(=O)N 34a_200000034558_100102525003 [0,0,0,0,0,0|2,0,2]=4 436 B13R0.54 CCCCC#CCOCCCC(=O)N 7a_200000034558_100102525003 [0,0,0,0,0,0|2,0,2]=4 437 B13R0.54 CCCCC/C=C/COCCC(=O)C 7a_100016258190_100000053229 [0,0,0,0,0,0|2,0,2]=4 438 B13R0.54 CCCCC/C=C/COCCC(=O)N 34a_100016258190_100000731001 [0,0,0,0,0,0|2,0,2]=4 439 B13R0.54 CCCCC/C=C/COCCC(=O)N 7a_100016258190_100000744528 [0,0,0,0,0,0|2,0,2]=4 440 B13R0.54 CCCCC/C=C\CCOCC(=O)N 34a_100016277358_100000187820 [0,0,0,0,0,0|2,0,2]=4 441 B13R0.54 CCCCC/C=C\CCOCC(=O)N 7a_100016277358_100000187820 [0,0,0,0,0,0|2,0,2]=4 442 B13R0.54 CCCCC/C=C\CCOCC(=O)[O-] 34a_100016277358_100020667443 [0,0,0,0,0,0|1,0,3]=4 443 B13R0.54 CCCCCC#CCCOCC(=O)N 34a_200000042877_100000187820 [0,0,0,0,0,0|2,0,2]=4 444 B13R0.54 CCCCCC#CCCOCC(=O)N 7a_200000042877_100000187820 [0,0,0,0,0,0|2,0,2]=4 445 B13R0.54 CCCCCC#CCCOCC(=O)[O-] 34a_200000042877_100020667443 [0,0,0,0,0,0|1,0,3]=4 446 B13R0.54 CCCCCC#CCNOCC(=O)O 269956a_100000106656_100009816472 [0,0,0,0,0,0|2,0,2]=4 447 B13R0.54 CCCCCC#CCOCCC(=O)C 34a_100000759926_100009816472 [0,0,0,0,0,0|2,0,2]=4 448 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_100000759926_100009816472 [0,0,0,0,0,0|2,0,2]=4 449 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_200000033628_100000053229 [0,0,0,0,0,0|2,0,2]=4 450 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_100000757172_100009816472 [0,0,0,0,0,0|2,0,2]=4 451 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_200000033628_100000731001 [0,0,0,0,0,0|2,0,2]=4 452 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_100000757172_100009816472 [0,0,0,0,0,0|2,0,2]=4 453 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_200000033628_100000744528 [0,0,0,0,0,0|2,0,2]=4 454 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100000053229_100009816472 [0,0,0,0,0,0|2,0,2]=4 455 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100009816472_100000053229 [0,0,0,0,0,0|2,0,2]=4 456 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100000744528_100009816472 [0,0,0,0,0,0|2,0,2]=4 457 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100009816472_100000744528 [0,0,0,0,0,0|2,0,2]=4 458 B13R0.54 CCCCCC/C=C/COCC(=O)N 34a_200016276170_100000187820 [0,0,0,0,0,0|2,0,2]=4 459 B13R0.54 CCCCCC/C=C/COCC(=O)N 7a_200016276170_100000187820 [0,0,0,0,0,0|2,0,2]=4 460 B13R0.54 CCCCCC/C=C/COCC(=O)[O-] 34a_200016276170_100020667443 [0,0,0,0,0,0|1,0,3]=4 461 B13R0.54 CCCCCCC#CCOCC(=O)N 34a_200000037284_100000187820 [0,0,0,0,0,0|2,0,2]=4 462 B13R0.54 CCCCCCC#CCOCC(=O)N 7a_200000037284_100000187820 [0,0,0,0,0,0|2,0,2]=4 463 B13R0.54 CCCCCCC#CCOCC(=O)[O-] 34a_200000037284_100020667443 [0,0,0,0,0,0|1,0,3]=4 464 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,0,0,0,0,0|3,0,1]=4 465 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,0,0,0,0,0|1,0,2]=3 466 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,0,0,0,0,0|1,0,2]=3 467 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,0,0,0,0,0|1,0,0]=1 468 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,0,0,0,0,0|1,0,0]=1 469 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,0,0,0,0,0|1,0,0]=1 470 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [0,0,0,0,0,0|3,0,0]=3 471 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [0,0,0,0,0,0|3,0,0]=3 472 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,0,0,0,0,0|2,0,0]=2 473 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,0,0,0,0,0|2,0,0]=2 474 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,0,0,0,0,0|2,0,0]=2 475 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,0,0,0,0,0|2,0,0]=2 476 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100000684558_100000210206 [0,0,0,0,0,0|3,0,1]=4 477 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100138425928_100000210320 [0,0,0,0,0,0|3,0,1]=4 478 B13R0.54 CCCCCCCCCCNC(C)C 34a_100000684558_100000210206 [0,0,0,0,0,0|3,0,1]=4 479 B13R0.54 CCCCCCCCCCNC(C)C 34a_100138425928_100000210320 [0,0,0,0,0,0|3,0,1]=4 480 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [0,0,0,0,0,0|3,0,1]=4 481 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [0,0,0,0,0,0|3,0,1]=4 482 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [0,0,0,0,0,0|3,0,1]=4 483 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,0,0,0,0,0|2,0,0]=2 484 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,0,0,0,0,0|2,0,0]=2 485 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,0,0,0,0,0|2,0,0]=2 486 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,0,0,0,0,0|1,0,0]=1 487 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,0,0,0,0,0|1,0,1]=2 488 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000210953_100011214924 [0,0,0,0,0,0|3,0,1]=4 489 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000212291_100000210760 [0,0,0,0,0,0|3,0,1]=4 490 B13R0.54 CCCCCCCCCNCC(C)C 270004a_100000212291_100000210432 [0,0,0,0,0,0|3,0,1]=4 491 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000210953_100011214924 [0,0,0,0,0,0|3,0,1]=4 492 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000212291_100000210624 [0,0,0,0,0,0|3,0,1]=4 493 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,0,0,0,0,0|2,0,1]=3 494 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,0,0,0,0,0|2,0,1]=3 495 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,0,0,0,0,0|2,0,1]=3 496 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,0,0,0,0,0|2,0,1]=3 497 B13R0.54 CCCCCCCCCNCC(F)F 2230a_100000212291_100011934356 [0,0,0,0,0,0|3,0,1]=4 498 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000212291_100011934356 [0,0,0,0,0,0|3,0,1]=4 499 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000765723_100011214924 [0,0,0,0,0,0|3,0,1]=4 500 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,0,0,0,0,0|2,0,1]=3 501 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,0,0,0,0,0|2,0,1]=3 502 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,0,0,0,0,0|2,0,1]=3 503 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,0,0,0,0,0|2,0,0]=2 504 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,0,0,0,0,0|2,0,0]=2 505 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,0,0,0,0,0|2,0,0]=2 506 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,0,0,0,0,0|1,0,1]=2 507 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [0,0,0,0,0,0|3,0,1]=4 508 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [0,0,0,0,0,0|3,0,1]=4 509 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [0,0,0,0,0,0|3,0,1]=4 510 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [0,0,0,0,0,0|3,0,1]=4 511 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [0,0,0,0,0,0|3,0,1]=4 512 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,0,0,0,0,0|2,0,1]=3 513 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,0,0,0,0,0|2,0,1]=3 514 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000210712_100011934356 [0,0,0,0,0,0|3,0,1]=4 515 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000743014_100011214924 [0,0,0,0,0,0|3,0,1]=4 516 B13R0.54 CCCCCCCCCOCC(F)F 7a_100000210712_100011934356 [0,0,0,0,0,0|3,0,1]=4 517 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [0,0,0,0,0,0|3,0,1]=4 518 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [0,0,0,0,0,0|3,0,1]=4 519 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,0,0,0,0,0|2,0,1]=3 520 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,0,0,0,0,0|2,0,1]=3 521 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,0,0,0,0,0|2,0,1]=3 522 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,0,0,0,0,0|2,0,0]=2 523 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,0,0,0,0,0|1,0,1]=2 524 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,0,0,0,0,0|2,0,1]=3 525 B13R0.54 CCCCCCCCCSCC(F)F 62a_100011934356_100000210670 [0,0,0,0,0,0|3,0,1]=4 526 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,0,0,0,0,0|2,0,1]=3 527 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,0,0,0,0,0|3,0,1]=4 528 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,0,0,0,0,0|3,0,1]=4 529 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,0,0,0,0,0|3,0,1]=4 530 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,0,0,0,0,0|2,0,0]=2 531 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,0,0,0,0,0|2,0,0]=2 532 B13R0.54 CCCCCCCCNCCC(C)C 2230a_100000229939_100000210312 [0,0,0,0,0,0|3,0,1]=4 533 B13R0.54 CCCCCCCCNCCC(C)C 269862a_100000229939_100000185833 [0,0,0,0,0,0|3,0,1]=4 534 B13R0.54 CCCCCCCCNCCC(C)C 34a_100000229939_100000210312 [0,0,0,0,0,0|3,0,1]=4 535 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,0,0,0,0,0|2,0,1]=3 536 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,0,0,0,0,0|2,0,1]=3 537 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,0,0,0,0,0|2,0,1]=3 538 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,0,0,0,0,0|3,0,0]=3 539 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,0,0,0,0,0|2,0,0]=2 540 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,0,0,0,0,0|3,0,1]=4 541 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,0,0,0,0,0|3,0,1]=4 542 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,0,0,0,0,0|3,0,1]=4 543 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,0,0,0,0,0|2,0,0]=2 544 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,0,0,0,0,0|2,0,0]=2 545 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,0,0,0,0,0|2,0,0]=2 546 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,0,0,0,0,0|2,0,0]=2 547 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,0,0,0,0,0|2,0,0]=2 548 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,0,0,0,0,0|2,0,0]=2 549 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,0,0,0,0,0|2,0,0]=2 550 B13R0.54 CCCCCCCCOCCC(C)Br 34a_100009893172_100000210759 [0,0,0,0,0,0|3,0,1]=4 551 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210232_100000210312 [0,0,0,0,0,0|3,0,1]=4 552 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210254_100000210759 [0,0,0,0,0,0|3,0,1]=4 553 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210232_100000210626 [0,0,0,0,0,0|3,0,1]=4 554 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210254_100000210759 [0,0,0,0,0,0|3,0,1]=4 555 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,0,0,0,0,0|2,0,1]=3 556 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,0,0,0,0,0|2,0,1]=3 557 B13R0.54 CCCCCCCCOCCC(F)F 34a_100103093639_100000210759 [0,0,0,0,0,0|3,0,1]=4 558 B13R0.54 CCCCCCCCOCCN(C)C 7a_100000210232_100000755713 [0,0,0,0,0,0|4,0,0]=4 559 B13R0.54 CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210759 [0,0,0,0,0,0|3,0,1]=4 560 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,0,0,0,0,0|3,0,0]=3 561 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,0,0,0,0,0|2,0,0]=2 562 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,0,0,0,0,0|2,0,0]=2 563 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,0,0,0,0,0|2,0,0]=2 564 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,0,0,0,0,0|2,0,0]=2 565 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,0,0,0,0,0|2,0,1]=3 566 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,0,0,0,0,0|2,0,1]=3 567 B13R0.54 CCCCCCCCSCCN(C)C 62a_100000210759_100000755713 [0,0,0,0,0,0|4,0,0]=4 568 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,0,0,0,0,0|3,0,0]=3 569 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,0,0,0,0,0|3,0,0]=3 570 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,0,0,0,0,0|3,0,1]=4 571 B13R0.54 CCCCCCCNCCC=C(F)F 2230a_100000229938_200009816681 [0,0,0,0,0,0|3,0,1]=4 572 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,0,0,0,0,0|2,0,0]=2 573 B13R0.54 CCCCCCCNCCCC(C)C 2230a_100000229938_100011214892 [0,0,0,0,0,0|3,0,1]=4 574 B13R0.54 CCCCCCCNCCCC(C)C 2230a_200000737386_100000210681 [0,0,0,0,0,0|3,0,1]=4 575 B13R0.54 CCCCCCCNCCCC(C)C 34a_200000737386_100000210614 [0,0,0,0,0,0|3,0,1]=4 576 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,0,0,0,0,0|2,0,1]=3 577 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,0,0,0,0,0|3,0,0]=3 578 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,0,0,0,0,0|3,0,0]=3 579 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,0,0,0,0,0|3,0,0]=3 580 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,0,0,0,0,0|3,0,0]=3 581 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,0,0,0,0,0|3,0,0]=3 582 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,0,0,0,0,0|3,0,1]=4 583 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,0,0,0,0,0|3,0,1]=4 584 B13R0.54 CCCCCCCOCCC=C(F)F 34a_100000210272_200009816681 [0,0,0,0,0,0|3,0,1]=4 585 B13R0.54 CCCCCCCOCCC=C(F)F 7a_100000210272_200009816681 [0,0,0,0,0,0|3,0,1]=4 586 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,0,0,0,0,0|2,0,0]=2 587 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,0,0,0,0,0|2,0,0]=2 588 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,0,0,0,0,0|2,0,0]=2 589 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,0,0,0,0,0|2,0,0]=2 590 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,0,0,0,0,0|2,0,0]=2 591 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,0,0,0,0,0|2,0,0]=2 592 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210272_100011214892 [0,0,0,0,0,0|3,0,1]=4 593 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210774_100000210614 [0,0,0,0,0,0|3,0,1]=4 594 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210272_100011214892 [0,0,0,0,0,0|3,0,1]=4 595 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210774_100000210614 [0,0,0,0,0,0|3,0,1]=4 596 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,0,0,0,0,0|2,0,1]=3 597 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,0,0,0,0,0|2,0,1]=3 598 B13R0.54 CCCCCCCOCCCN(C)C 7a_100000210272_100000757444 [0,0,0,0,0,0|4,0,0]=4 599 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,0,0,0,0,0|2,0,1]=3 600 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,0,0,0,0,0|3,0,0]=3 601 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,0,0,0,0,0|3,0,0]=3 602 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,0,0,0,0,0|3,0,0]=3 603 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,0,0,0,0,0|3,0,0]=3 604 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,0,0,0,0,0|3,0,0]=3 605 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,0,0,0,0,0|3,0,0]=3 606 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,0,0,0,0,0|3,0,0]=3 607 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,0,0,0,0,0|3,0,0]=3 608 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,0,0,0,0,0|3,0,0]=3 609 B13R0.54 CCCCCCCSCCC=C(F)F 62a_100000210614_200009816681 [0,0,0,0,0,0|3,0,1]=4 610 B13R0.54 CCCCCCCSCCC=C(F)F 62a_200009816681_100000210316 [0,0,0,0,0,0|3,0,1]=4 611 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,0,0,0,0,0|2,0,0]=2 612 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,0,0,0,0,0|2,0,0]=2 613 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,0,0,0,0,0|2,0,0]=2 614 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,0,0,0,0,0|2,0,0]=2 615 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,0,0,0,0,0|2,0,1]=3 616 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,0,0,0,0,0|2,0,1]=3 617 B13R0.54 CCCCCCCSCCCN(C)C 62a_100000210614_100000757444 [0,0,0,0,0,0|4,0,0]=4 618 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,0,0,0,0,0|3,0,0]=3 619 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,0,0,0,0,0|3,0,0]=3 620 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,0,0,0,0,0|3,0,0]=3 621 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,0,0,0,0,0|3,0,0]=3 622 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,0,0,0,0,0|3,0,0]=3 623 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,0,0,0,0,0|3,0,0]=3 624 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,0,0,0,0,0|3,0,0]=3 625 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,0,0,0,0,0|3,0,0]=3 626 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [0,0,0,0,0,0|2,0,1]=3 627 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,0,0,0,0,0|2,0,0]=2 628 B13R0.54 CCCCCCNCCCCC(C)C 2230a_100000210581_100011216152 [0,0,0,0,0,0|3,0,1]=4 629 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,0,0,0,0,0|3,0,0]=3 630 B13R0.54 CCCCCCNCCCOC(=S)C 2230a_100000210581_200135323944 [0,0,0,0,0,0|3,1,0]=4 631 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,0,0,0,0,0|3,0,0]=3 632 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,0,0,0,0,0|3,0,0]=3 633 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,0,0,0,0,0|2,0,0]=2 634 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [0,0,0,0,0,0|2,0,1]=3 635 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [0,0,0,0,0,0|2,0,1]=3 636 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,0,0,0,0,0|2,0,0]=2 637 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,0,0,0,0,0|2,0,0]=2 638 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,0,0,0,0,0|2,0,0]=2 639 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,0,0,0,0,0|2,0,0]=2 640 B13R0.54 CCCCCCOCCCCC(C)C 34a_100000210259_100011216152 [0,0,0,0,0,0|3,0,1]=4 641 B13R0.54 CCCCCCOCCCCC(C)C 34a_100011214890_100000210314 [0,0,0,0,0,0|3,0,1]=4 642 B13R0.54 CCCCCCOCCCCC(C)C 7a_100000210259_100011216152 [0,0,0,0,0,0|3,0,1]=4 643 B13R0.54 CCCCCCOCCCCC(C)C 7a_100011214890_100000210314 [0,0,0,0,0,0|3,0,1]=4 644 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,0,0,0,0,0|2,0,1]=3 645 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,0,0,0,0,0|2,0,1]=3 646 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,0,0,0,0,0|3,0,0]=3 647 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,0,0,0,0,0|3,0,0]=3 648 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,0,0,0,0,0|3,0,0]=3 649 B13R0.54 CCCCCCOCCCOC(=S)C 34a_100000210259_200135323944 [0,0,0,0,0,0|3,1,0]=4 650 B13R0.54 CCCCCCOCCCOC(=S)C 7a_100000210259_200135323944 [0,0,0,0,0,0|3,1,0]=4 651 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,0,0,0,0,0|3,0,0]=3 652 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,0,0,0,0,0|3,0,0]=3 653 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,0,0,0,0,0|3,0,0]=3 654 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,0,0,0,0,0|3,0,0]=3 655 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,0,0,0,0,0|3,0,0]=3 656 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,0,0,0,0,0|3,0,0]=3 657 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,0,0,0,0,0|2,0,1]=3 658 B13R0.54 CCCCCCOCCOCC(C)O 34a_100000691444_100011218427 [0,0,0,0,0,0|3,0,1]=4 659 B13R0.54 CCCCCCOCCOCC(C)O 7a_100000691444_100011218427 [0,0,0,0,0,0|3,0,1]=4 660 B13R0.54 CCCCCCOCCOC[C@@H](C)O 34a_100000691444_100009817552 [0,0,0,0,0,0|3,0,1]=4 661 B13R0.54 CCCCCCOCCOC[C@@H](C)O 7a_100000691444_100009817552 [0,0,0,0,0,0|3,0,1]=4 662 B13R0.54 CCCCCCOCCOC[N+](=O)[O-] 34a_100000691444_100000761209 [0,0,0,0,0,0|3,0,1]=4 663 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [0,0,0,0,0,0|2,0,1]=3 664 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [0,0,0,0,0,0|2,0,1]=3 665 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,0,0,0,0,0|2,0,0]=2 666 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,0,0,0,0,0|2,0,0]=2 667 B13R0.54 CCCCCCSCCCCN(C)C 62a_100000210314_100000690147 [0,0,0,0,0,0|4,0,0]=4 668 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,0,0,0,0,0|3,0,0]=3 669 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,0,0,0,0,0|3,0,0]=3 670 B13R0.54 CCCCCCSCCCOC(=S)C 62a_100000210314_200135323944 [0,0,0,0,0,0|3,1,0]=4 671 B13R0.54 CCCCCCSCCCOC(=S)C 62a_200135323944_100000210757 [0,0,0,0,0,0|3,1,0]=4 672 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,0,0,0,0,0|3,0,0]=3 673 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,0,0,0,0,0|3,0,0]=3 674 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,0,0,0,0,0|3,0,0]=3 675 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,0,0,0,0,0|3,0,0]=3 676 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [0,0,0,0,0,0|2,0,1]=3 677 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,0,0,0,0,0|2,0,0]=2 678 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100000209983_100000210682 [0,0,0,0,0,0|3,0,1]=4 679 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100011290863_100000210326 [0,0,0,0,0,0|3,0,1]=4 680 B13R0.54 CCCCCNCCCCCC(C)C 34a_100011290863_100000718602 [0,0,0,0,0,0|3,0,1]=4 681 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,0,0,0,0,0|3,0,0]=3 682 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,0,0,0,0,0|3,0,0]=3 683 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,0,0,0,0,0|3,0,0]=3 684 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,0,0,0,0,0|3,0,0]=3 685 B13R0.54 CCCCCNCCOCCC(C)O 34a_100000224656_100012276601 [0,0,0,0,0,0|3,0,1]=4 686 B13R0.54 CCCCCNCCOCOC(=O)C 34a_100000224656_100009813279 [0,0,0,0,0,0|4,0,0]=4 687 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [0,0,0,0,0,0|2,0,1]=3 688 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [0,0,0,0,0,0|2,0,1]=3 689 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,0,0,0,0,0|2,0,0]=2 690 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,0,0,0,0,0|2,0,0]=2 691 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,0,0,0,0,0|2,0,0]=2 692 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,0,0,0,0,0|2,0,0]=2 693 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,0,0,0,0,0|1,0,1]=2 694 B13R0.54 CCCCCOCCCCCC(C)C 34a_100000210253_100000210682 [0,0,0,0,0,0|3,0,1]=4 695 B13R0.54 CCCCCOCCCCCC(C)C 34a_100011995859_100000718602 [0,0,0,0,0,0|3,0,1]=4 696 B13R0.54 CCCCCOCCCCCC(C)C 7a_100000210253_100000210682 [0,0,0,0,0,0|3,0,1]=4 697 B13R0.54 CCCCCOCCCCCC(C)C 7a_100011995859_100000210326 [0,0,0,0,0,0|3,0,1]=4 698 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,0,0,0,0,0|3,0,0]=3 699 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,0,0,0,0,0|3,0,0]=3 700 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,0,0,0,0,0|3,0,0]=3 701 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,0,0,0,0,0|3,0,0]=3 702 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 34a_100000210253_100015694321 [0,0,0,0,0,0|3,0,1]=4 703 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 7a_100000210253_100015694321 [0,0,0,0,0,0|3,0,1]=4 704 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,0,0,0,0,0|3,0,0]=3 705 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,0,0,0,0,0|3,0,0]=3 706 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,0,0,0,0,0|3,0,0]=3 707 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,0,0,0,0,0|3,0,0]=3 708 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,0,0,0,0,0|3,0,0]=3 709 B13R0.54 CCCCCOCCOCCC(C)O 34a_100011215259_100012276601 [0,0,0,0,0,0|3,0,1]=4 710 B13R0.54 CCCCCOCCOCCC(C)O 7a_100011215259_100012276601 [0,0,0,0,0,0|3,0,1]=4 711 B13R0.54 CCCCCOCCOCOC(=O)C 34a_100011215259_100009813279 [0,0,0,0,0,0|4,0,0]=4 712 B13R0.54 CCCCCOCOCCOC(=O)C 34a_100000210253_100000076355 [0,0,0,0,0,0|4,0,0]=4 713 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [0,0,0,0,0,0|2,0,1]=3 714 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [0,0,0,0,0,0|2,0,1]=3 715 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,0,0,0,0,0|2,0,0]=2 716 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,0,0,0,0,0|2,0,0]=2 717 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,0,0,0,0,0|3,0,0]=3 718 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,0,0,0,0,0|3,0,0]=3 719 B13R0.54 CCCCCSCCCCO[N+](=O)[O-] 62a_100000210326_100015694321 [0,0,0,0,0,0|3,0,1]=4 720 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,0,0,0,0,0|3,0,0]=3 721 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,0,0,0,0,0|3,0,0]=3 722 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000076355_100000210326 [0,0,0,0,0,0|4,0,0]=4 723 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000210326_100000076355 [0,0,0,0,0,0|4,0,0]=4 724 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [0,0,0,0,0,0|2,0,1]=3 725 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [0,0,0,0,0,0|2,0,1]=3 726 B13R0.54 CCCCNCCCCCCC(C)C 2230a_100000211014_100000210211 [0,0,0,0,0,0|3,0,1]=4 727 B13R0.54 CCCCNCCCCCCC(C)C 34a_100000211014_100000210210 [0,0,0,0,0,0|3,0,1]=4 728 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,0,0,0,0,0|3,0,0]=3 729 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,0,0,0,0,0|3,0,0]=3 730 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,0,0,0,0,0|3,0,0]=3 731 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,0,0,0,0,0|3,0,0]=3 732 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,0,0,0,0,0|3,0,0]=3 733 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,0,0,0,0,0|2,0,1]=3 734 B13R0.54 CCCCNCCCCOCC(C)O 34a_200011216965_100011218427 [0,0,0,0,0,0|3,0,1]=4 735 B13R0.54 CCCCNCCCCOC[C@@H](C)O 34a_200011216965_100009817552 [0,0,0,0,0,0|3,0,1]=4 736 B13R0.54 CCCCNCCCCOC[N+](=O)[O-] 34a_200011216965_100000761209 [0,0,0,0,0,0|3,0,1]=4 737 B13R0.54 CCCCNCCOCCOC(=O)C 2230a_100000102301_200000083610 [0,0,0,0,0,0|4,0,0]=4 738 B13R0.54 CCCCNCCOCCOC(=O)C 7a_106832991798_200000083610 [0,0,0,0,0,0|4,0,0]=4 739 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [0,0,0,0,0,0|2,0,1]=3 740 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [0,0,0,0,0,0|2,0,1]=3 741 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,0,0,0,0,0|3,0,0]=3 742 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,0,0,0,0,0|3,0,0]=3 743 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,0,0,0,0,0|3,0,0]=3 744 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,0,0,0,0,0|3,0,0]=3 745 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,0,0,0,0,0|2,0,1]=3 746 B13R0.54 CCCCOCCCCOCC(C)O 34a_200000760531_100011218427 [0,0,0,0,0,0|3,0,1]=4 747 B13R0.54 CCCCOCCCCOCC(C)O 7a_200000760531_100011218427 [0,0,0,0,0,0|3,0,1]=4 748 B13R0.54 CCCCOCCCCOC[C@@H](C)O 34a_200000760531_100009817552 [0,0,0,0,0,0|3,0,1]=4 749 B13R0.54 CCCCOCCCCOC[C@@H](C)O 7a_200000760531_100009817552 [0,0,0,0,0,0|3,0,1]=4 750 B13R0.54 CCCCOCCCCOC[N+](=O)[O-] 34a_200000760531_100000761209 [0,0,0,0,0,0|3,0,1]=4 751 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,0,0,0,0,0|3,0,0]=3 752 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,0,0,0,0,0|3,0,0]=3 753 B13R0.54 CCCCOCCCNCCC(C)O 2230a_200000211371_100012276601 [0,0,0,0,0,0|3,0,1]=4 754 B13R0.54 CCCCOCCCNCCC(C)O 34a_200000211371_100012276601 [0,0,0,0,0,0|3,0,1]=4 755 B13R0.54 CCCCOCCCNCOC(=O)C 34a_200000211371_100009813279 [0,0,0,0,0,0|4,0,0]=4 756 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,0,0,0,0,0|3,0,0]=3 757 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,0,0,0,0,0|3,0,0]=3 758 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,0,0,0,0,0|3,0,0]=3 759 B13R0.54 CCCCOCCCOCCC(C)O 34a_200011215613_100012276601 [0,0,0,0,0,0|3,0,1]=4 760 B13R0.54 CCCCOCCCOCCC(C)O 7a_200011215613_100012276601 [0,0,0,0,0,0|3,0,1]=4 761 B13R0.54 CCCCOCCCOCOC(=O)C 34a_200011215613_100009813279 [0,0,0,0,0,0|4,0,0]=4 762 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,0,0,0,0,0|3,0,0]=3 763 B13R0.54 CCCCOCCNCCCS(=O)C 2230a_200000753449_100000743108 [0,0,0,0,0,0|4,0,0]=4 764 B13R0.54 CCCCOCCNCCNC(=O)C 2230a_100000209853_100000743108 [0,0,0,0,0,0|4,0,0]=4 765 B13R0.54 CCCCOCCNCCNC(=O)N 34a_100020590234_100000743108 [0,0,0,0,0,0|4,0,0]=4 766 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,0,0,0,0,0|3,0,0]=3 767 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,0,0,0,0,0|3,0,0]=3 768 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,0,0,0,0,0|3,0,0]=3 769 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,0,0,0,0,0|3,0,0]=3 770 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,0,0,0,0,0|3,0,0]=3 771 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,0,0,0,0,0|3,0,0]=3 772 B13R0.54 CCCCOCCOCCCC(C)O 34a_100000210238_200000718107 [0,0,0,0,0,0|3,0,1]=4 773 B13R0.54 CCCCOCCOCCCC(C)O 7a_100000210238_200000718107 [0,0,0,0,0,0|3,0,1]=4 774 B13R0.54 CCCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000743108 [0,0,0,0,0,0|3,0,1]=4 775 B13R0.54 CCCCOCCOCCNC(=O)C 34a_100000158858_100000743108 [0,0,0,0,0,0|4,0,0]=4 776 B13R0.54 CCCCOCCOCCNC(=O)C 7a_100000210238_100000189650 [0,0,0,0,0,0|4,0,0]=4 777 B13R0.54 CCCCOCCOCCNC(=O)N 34a_100000181757_100000743108 [0,0,0,0,0,0|4,0,0]=4 778 B13R0.54 CCCCOCCOCCNC(=O)N 7a_100000210238_200000034859 [0,0,0,0,0,0|4,0,0]=4 779 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210227_200000083610 [0,0,0,0,0,0|4,0,0]=4 780 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210238_100009814007 [0,0,0,0,0,0|4,0,0]=4 781 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210227_200000083610 [0,0,0,0,0,0|4,0,0]=4 782 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210238_100009814007 [0,0,0,0,0,0|4,0,0]=4 783 B13R0.54 CCCCOCCOCCOC(=O)N 34a_100000210238_200011214921 [0,0,0,0,0,0|4,0,0]=4 784 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000210238_200011214921 [0,0,0,0,0,0|4,0,0]=4 785 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000766696_100000743108 [0,0,0,0,0,0|4,0,0]=4 786 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,0,0,0,0,0|3,0,0]=3 787 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,0,0,0,0,0|3,0,0]=3 788 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,0,0,0,0,0|3,0,0]=3 789 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,0,0,0,0,0|3,0,0]=3 790 B13R0.54 CCCCOCCSCCCC(C)O 62a_100000743108_200000718107 [0,0,0,0,0,0|3,0,1]=4 791 B13R0.54 CCCCOCCSCCCC(C)O 62a_200000718107_100000743108 [0,0,0,0,0,0|3,0,1]=4 792 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000189650_100000743108 [0,0,0,0,0,0|4,0,0]=4 793 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000743108_100000189650 [0,0,0,0,0,0|4,0,0]=4 794 B13R0.54 CCCCOCCSCCNC(=O)N 62a_100000743108_200000034859 [0,0,0,0,0,0|4,0,0]=4 795 B13R0.54 CCCCOCCSCCNC(=O)N 62a_200000034859_100000743108 [0,0,0,0,0,0|4,0,0]=4 796 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100000743108_100009814007 [0,0,0,0,0,0|4,0,0]=4 797 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100009814007_100000743108 [0,0,0,0,0,0|4,0,0]=4 798 B13R0.54 CCCCOCCSCCOC(=O)N 62a_100000743108_200011214921 [0,0,0,0,0,0|4,0,0]=4 799 B13R0.54 CCCCOCCSCCOC(=O)N 62a_200011214921_100000743108 [0,0,0,0,0,0|4,0,0]=4 800 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,0,0,0,0,0|3,0,0]=3 801 B13R0.54 CCCCOCNCCCNC(=O)C 34a_100000736810_100011995733 [0,0,0,0,0,0|4,0,0]=4 802 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,0,0,0,0,0|3,0,0]=3 803 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,0,0,0,0,0|3,0,0]=3 804 B13R0.54 CCCCOCOCCCC[N+](=O)[O-] 34a_200015379883_100011995733 [0,0,0,0,0,0|3,0,1]=4 805 B13R0.54 CCCCOCOCCCNC(=O)C 34a_100000752032_100011995733 [0,0,0,0,0,0|4,0,0]=4 806 B13R0.54 CCCCOCSCCCCB(O)O 62a_100011995733_200009817182 [0,0,0,0,0,0|3,0,1]=4 807 B13R0.54 CCCCOCSCCCCB(O)O 62a_200009817182_100011995733 [0,0,0,0,0,0|3,0,1]=4 808 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,0,0,0,0,0|3,0,0]=3 809 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,0,0,0,0,0|3,0,0]=3 810 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100000042594_100011995733 [0,0,0,0,0,0|4,0,0]=4 811 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100011995733_100000042594 [0,0,0,0,0,0|4,0,0]=4 812 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100000038929_100011995733 [0,0,0,0,0,0|4,0,0]=4 813 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100011995733_100000038929 [0,0,0,0,0,0|4,0,0]=4 814 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100000076697_100011995733 [0,0,0,0,0,0|4,0,0]=4 815 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100011995733_100000076697 [0,0,0,0,0,0|4,0,0]=4 816 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [0,0,0,0,0,0|2,0,1]=3 817 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [0,0,0,0,0,0|2,0,1]=3 818 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,0,0,0,0,0|3,0,0]=3 819 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,0,0,0,0,0|3,0,0]=3 820 B13R0.54 CCCCSCCNCCCC(C)O 2230a_100025743550_200000718107 [0,0,0,0,0,0|3,0,1]=4 821 B13R0.54 CCCCSCCNCCNC(=O)C 2230a_100025743550_100000189650 [0,0,0,0,0,0|4,0,0]=4 822 B13R0.54 CCCCSCCNCCNC(=O)N 2230a_100025743550_200000034859 [0,0,0,0,0,0|4,0,0]=4 823 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,0,0,0,0,0|3,0,0]=3 824 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,0,0,0,0,0|3,0,0]=3 825 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,0,0,0,0,0|3,0,0]=3 826 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,0,0,0,0,0|3,0,0]=3 827 B13R0.54 CCCCSCCOCCCC(C)O 34a_200000230436_200000718107 [0,0,0,0,0,0|3,0,1]=4 828 B13R0.54 CCCCSCCOCCCC(C)O 7a_200000230436_200000718107 [0,0,0,0,0,0|3,0,1]=4 829 B13R0.54 CCCCSCCOCCNC(=O)C 7a_200000230436_100000189650 [0,0,0,0,0,0|4,0,0]=4 830 B13R0.54 CCCCSCCOCCNC(=O)N 7a_200000230436_200000034859 [0,0,0,0,0,0|4,0,0]=4 831 B13R0.54 CCCCSCCOCCOC(=O)C 34a_200000230436_100009814007 [0,0,0,0,0,0|4,0,0]=4 832 B13R0.54 CCCCSCCOCCOC(=O)C 62a_100000210211_200000083610 [0,0,0,0,0,0|4,0,0]=4 833 B13R0.54 CCCCSCCOCCOC(=O)C 62a_200000083610_100000210210 [0,0,0,0,0,0|4,0,0]=4 834 B13R0.54 CCCCSCCOCCOC(=O)C 7a_200000230436_100009814007 [0,0,0,0,0,0|4,0,0]=4 835 B13R0.54 CCCCSCCOCCOC(=O)N 34a_200000230436_200011214921 [0,0,0,0,0,0|4,0,0]=4 836 B13R0.54 CCCCSCCOCCOC(=O)N 7a_200000230436_200011214921 [0,0,0,0,0,0|4,0,0]=4 837 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,0,0,0,0,0|3,0,0]=3 838 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,0,0,0,0,0|3,0,0]=3 839 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,0,0,0,0,0|3,0,0]=3 840 B13R0.54 CCCOCCCCCCCC(C)C 34a_200000210741_100000210303 [0,0,0,0,0,0|3,0,1]=4 841 B13R0.54 CCCOCCCCCCCC(C)C 7a_200000210741_100000210303 [0,0,0,0,0,0|3,0,1]=4 842 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,0,0,0,0,0|3,0,0]=3 843 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,0,0,0,0,0|3,0,0]=3 844 B13R0.54 CCCOCCCNCCCC(C)O 2230a_100011217757_200000718107 [0,0,0,0,0,0|3,0,1]=4 845 B13R0.54 CCCOCCCNCCCC(C)O 34a_100011217757_200000718107 [0,0,0,0,0,0|3,0,1]=4 846 B13R0.54 CCCOCCCNCCNC(=O)C 2230a_100011217757_100000189650 [0,0,0,0,0,0|4,0,0]=4 847 B13R0.54 CCCOCCCNCCNC(=O)N 2230a_100011217757_200000034859 [0,0,0,0,0,0|4,0,0]=4 848 B13R0.54 CCCOCCCNCCOC(=O)C 34a_100011217757_100009814007 [0,0,0,0,0,0|4,0,0]=4 849 B13R0.54 CCCOCCCNCCOC(=O)N 34a_100011217757_200011214921 [0,0,0,0,0,0|4,0,0]=4 850 B13R0.54 CCCOCCNCCCCB(O)O 2230a_100161115042_200009817182 [0,0,0,0,0,0|3,0,1]=4 851 B13R0.54 CCCOCCNCCCCB(O)O 34a_100161115042_200009817182 [0,0,0,0,0,0|3,0,1]=4 852 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,0,0,0,0,0|3,0,0]=3 853 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,0,0,0,0,0|3,0,0]=3 854 B13R0.54 CCCOCCNCCCNC(=O)C 34a_100000736810_100011215938 [0,0,0,0,0,0|4,0,0]=4 855 B13R0.54 CCCOCCNCCCOC(=O)C 34a_100161115042_100000042594 [0,0,0,0,0,0|4,0,0]=4 856 B13R0.54 CCCOCCNCCCSC(=O)C 2230a_100161115042_100000038929 [0,0,0,0,0,0|4,0,0]=4 857 B13R0.54 CCCOCCNCCCSC(=O)C 34a_100161115042_100000038929 [0,0,0,0,0,0|4,0,0]=4 858 B13R0.54 CCCOCCNCCOCC(=O)N 2230a_100161115042_100000076697 [0,0,0,0,0,0|4,0,0]=4 859 B13R0.54 CCCOCCNCCOCC(=O)N 34a_100161115042_100000076697 [0,0,0,0,0,0|4,0,0]=4 860 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,0,0,0,0,0|3,0,0]=3 861 B13R0.54 CCCOCCOCCCCB(O)O 34a_100000752267_200009817182 [0,0,0,0,0,0|3,0,1]=4 862 B13R0.54 CCCOCCOCCCCB(O)O 7a_100000752267_200009817182 [0,0,0,0,0,0|3,0,1]=4 863 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,0,0,0,0,0|3,0,0]=3 864 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,0,0,0,0,0|3,0,0]=3 865 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,0,0,0,0,0|3,0,0]=3 866 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,0,0,0,0,0|3,0,0]=3 867 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100011215938 [0,0,0,0,0,0|3,0,1]=4 868 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215938 [0,0,0,0,0,0|3,0,1]=4 869 B13R0.54 CCCOCCOCCCNC(=O)C 34a_100000752032_100011215938 [0,0,0,0,0,0|4,0,0]=4 870 B13R0.54 CCCOCCOCCCOC(=O)C 34a_100000752267_100000042594 [0,0,0,0,0,0|4,0,0]=4 871 B13R0.54 CCCOCCOCCCOC(=O)C 7a_100000752267_100000042594 [0,0,0,0,0,0|4,0,0]=4 872 B13R0.54 CCCOCCOCCCSC(=O)C 34a_100000752267_100000038929 [0,0,0,0,0,0|4,0,0]=4 873 B13R0.54 CCCOCCOCCCSC(=O)C 7a_100000752267_100000038929 [0,0,0,0,0,0|4,0,0]=4 874 B13R0.54 CCCOCCOCCNCC(=O)N 2230a_200011904461_100000747473 [0,0,0,0,0,0|4,0,0]=4 875 B13R0.54 CCCOCCOCCNCC(=O)N 34a_200011904461_100000187820 [0,0,0,0,0,0|4,0,0]=4 876 B13R0.54 CCCOCCOCCNCC(=O)[O-] 34a_200011904461_100020667443 [0,0,0,0,0,0|3,0,1]=4 877 B13R0.54 CCCOCCOCCOCC(=O)N 34a_100000752267_100000076697 [0,0,0,0,0,0|4,0,0]=4 878 B13R0.54 CCCOCCOCCOCC(=O)N 7a_100000752267_100000076697 [0,0,0,0,0,0|4,0,0]=4 879 B13R0.54 CCCOCCSCCCCB(O)O 62a_100011215938_200009817182 [0,0,0,0,0,0|3,0,1]=4 880 B13R0.54 CCCOCCSCCCCB(O)O 62a_200009817182_100011215938 [0,0,0,0,0,0|3,0,1]=4 881 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,0,0,0,0,0|3,0,0]=3 882 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,0,0,0,0,0|3,0,0]=3 883 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100000042594_100011215938 [0,0,0,0,0,0|4,0,0]=4 884 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100011215938_100000042594 [0,0,0,0,0,0|4,0,0]=4 885 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100000038929_100011215938 [0,0,0,0,0,0|4,0,0]=4 886 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100011215938_100000038929 [0,0,0,0,0,0|4,0,0]=4 887 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100000076697_100011215938 [0,0,0,0,0,0|4,0,0]=4 888 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100011215938_100000076697 [0,0,0,0,0,0|4,0,0]=4 889 B13R0.54 CCCSCCNCCCCB(O)O 2230a_100020603323_200009817182 [0,0,0,0,0,0|3,0,1]=4 890 B13R0.54 CCCSCCNCCCSC(=O)C 2230a_100020603323_100000038929 [0,0,0,0,0,0|4,0,0]=4 891 B13R0.54 CCCSCCNCCOCC(=O)N 2230a_100020603323_100000076697 [0,0,0,0,0,0|4,0,0]=4 892 B13R0.54 CCCSCCOCCCCB(O)O 34a_200000230433_200009817182 [0,0,0,0,0,0|3,0,1]=4 893 B13R0.54 CCCSCCOCCCCB(O)O 7a_200000230433_200009817182 [0,0,0,0,0,0|3,0,1]=4 894 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,0,0,0,0,0|3,0,0]=3 895 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,0,0,0,0,0|3,0,0]=3 896 B13R0.54 CCCSCCOCCCOC(=O)C 34a_200000230433_100000042594 [0,0,0,0,0,0|4,0,0]=4 897 B13R0.54 CCCSCCOCCCOC(=O)C 7a_200000230433_100000042594 [0,0,0,0,0,0|4,0,0]=4 898 B13R0.54 CCCSCCOCCCSC(=O)C 34a_200000230433_100000038929 [0,0,0,0,0,0|4,0,0]=4 899 B13R0.54 CCCSCCOCCCSC(=O)C 7a_200000230433_100000038929 [0,0,0,0,0,0|4,0,0]=4 900 B13R0.54 CCCSCCOCCOCC(=O)N 34a_200000230433_100000076697 [0,0,0,0,0,0|4,0,0]=4 901 B13R0.54 CCCSCCOCCOCC(=O)N 7a_200000230433_100000076697 [0,0,0,0,0,0|4,0,0]=4 902 B13R0.54 CCOCCCNCCCCB(O)O 2230a_100000210961_200009817182 [0,0,0,0,0,0|3,0,1]=4 903 B13R0.54 CCOCCCNCCCCB(O)O 34a_100000210961_200009817182 [0,0,0,0,0,0|3,0,1]=4 904 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,0,0,0,0,0|3,0,0]=3 905 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,0,0,0,0,0|3,0,0]=3 906 B13R0.54 CCOCCCNCCCNC(=O)C 34a_100000736810_100012232248 [0,0,0,0,0,0|4,0,0]=4 907 B13R0.54 CCOCCCNCCCOC(=O)C 34a_100000210961_100000042594 [0,0,0,0,0,0|4,0,0]=4 908 B13R0.54 CCOCCCNCCCSC(=O)C 2230a_100000210961_100000038929 [0,0,0,0,0,0|4,0,0]=4 909 B13R0.54 CCOCCCNCCCSC(=O)C 34a_100000210961_100000038929 [0,0,0,0,0,0|4,0,0]=4 910 B13R0.54 CCOCCCNCCOCC(=O)N 2230a_100000210961_100000076697 [0,0,0,0,0,0|4,0,0]=4 911 B13R0.54 CCOCCCNCCOCC(=O)N 34a_100000210961_100000076697 [0,0,0,0,0,0|4,0,0]=4 912 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,0,0,0,0,0|3,0,0]=3 913 B13R0.54 CCOCCCOCCCCB(O)O 34a_100000757476_200009817182 [0,0,0,0,0,0|3,0,1]=4 914 B13R0.54 CCOCCCOCCCCB(O)O 7a_100000757476_200009817182 [0,0,0,0,0,0|3,0,1]=4 915 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,0,0,0,0,0|3,0,0]=3 916 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,0,0,0,0,0|3,0,0]=3 917 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,0,0,0,0,0|3,0,0]=3 918 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,0,0,0,0,0|3,0,0]=3 919 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 34a_200015379883_100012232248 [0,0,0,0,0,0|3,0,1]=4 920 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 7a_200015379883_100012232248 [0,0,0,0,0,0|3,0,1]=4 921 B13R0.54 CCOCCCOCCCNC(=O)C 34a_100000752032_100012232248 [0,0,0,0,0,0|4,0,0]=4 922 B13R0.54 CCOCCCOCCCOC(=O)C 34a_100000757476_100000042594 [0,0,0,0,0,0|4,0,0]=4 923 B13R0.54 CCOCCCOCCCOC(=O)C 7a_100000757476_100000042594 [0,0,0,0,0,0|4,0,0]=4 924 B13R0.54 CCOCCCOCCCSC(=O)C 34a_100000757476_100000038929 [0,0,0,0,0,0|4,0,0]=4 925 B13R0.54 CCOCCCOCCCSC(=O)C 7a_100000757476_100000038929 [0,0,0,0,0,0|4,0,0]=4 926 B13R0.54 CCOCCCOCCOCC(=O)N 34a_100000757476_100000076697 [0,0,0,0,0,0|4,0,0]=4 927 B13R0.54 CCOCCCOCCOCC(=O)N 7a_100000757476_100000076697 [0,0,0,0,0,0|4,0,0]=4 928 B13R0.54 CCOCCCSCCCCB(O)O 62a_100012232248_200009817182 [0,0,0,0,0,0|3,0,1]=4 929 B13R0.54 CCOCCCSCCCCB(O)O 62a_200009817182_100012232248 [0,0,0,0,0,0|3,0,1]=4 930 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,0,0,0,0,0|3,0,0]=3 931 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,0,0,0,0,0|3,0,0]=3 932 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100000042594_100012232248 [0,0,0,0,0,0|4,0,0]=4 933 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100012232248_100000042594 [0,0,0,0,0,0|4,0,0]=4 934 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100000038929_100012232248 [0,0,0,0,0,0|4,0,0]=4 935 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100012232248_100000038929 [0,0,0,0,0,0|4,0,0]=4 936 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100000076697_100012232248 [0,0,0,0,0,0|4,0,0]=4 937 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100012232248_100000076697 [0,0,0,0,0,0|4,0,0]=4 938 B13R0.54 CCOCCNCCCCCB(O)O 2230a_102516460346_200009817188 [0,0,0,0,0,0|3,0,1]=4 939 B13R0.54 CCOCCNCCCCCB(O)O 34a_102516460346_200009817188 [0,0,0,0,0,0|3,0,1]=4 940 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,0,0,0,0,0|3,0,0]=3 941 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,0,0,0,0,0|3,0,0]=3 942 B13R0.54 CCOCCNCCCCNC(=O)C 2230a_200011368371_100011215890 [0,0,0,0,0,0|4,0,0]=4 943 B13R0.54 CCOCCNCCCCNC(=O)C 34a_200011368371_100000210147 [0,0,0,0,0,0|4,0,0]=4 944 B13R0.54 CCOCCNCCCCOC(=O)C 34a_102516460346_100000033659 [0,0,0,0,0,0|4,0,0]=4 945 B13R0.54 CCOCCNCCCCSC(=O)C 2230a_102516460346_200010402107 [0,0,0,0,0,0|4,0,0]=4 946 B13R0.54 CCOCCNCCCCSC(=O)C 34a_102516460346_200010402107 [0,0,0,0,0,0|4,0,0]=4 947 B13R0.54 CCOCCOCCCCCB(O)O 34a_100000210136_200009817188 [0,0,0,0,0,0|3,0,1]=4 948 B13R0.54 CCOCCOCCCCCB(O)O 7a_100000210136_200009817188 [0,0,0,0,0,0|3,0,1]=4 949 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,0,0,0,0,0|3,0,0]=3 950 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,0,0,0,0,0|3,0,0]=3 951 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,0,0,0,0,0|3,0,0]=3 952 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,0,0,0,0,0|3,0,0]=3 953 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,0,0,0,0,0|2,0,1]=3 954 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000073216_100000210147 [0,0,0,0,0,0|4,0,0]=4 955 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000210136_100000033659 [0,0,0,0,0,0|4,0,0]=4 956 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000073216_100011215890 [0,0,0,0,0,0|4,0,0]=4 957 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000210136_100000033659 [0,0,0,0,0,0|4,0,0]=4 958 B13R0.54 CCOCCOCCCCSC(=O)C 34a_100000210136_200010402107 [0,0,0,0,0,0|4,0,0]=4 959 B13R0.54 CCOCCOCCCCSC(=O)C 7a_100000210136_200010402107 [0,0,0,0,0,0|4,0,0]=4 960 B13R0.54 CCOCCOCCNCCC(=O)N 2230a_100102712874_100000744528 [0,0,0,0,0,0|4,0,0]=4 961 B13R0.54 CCOCCOCCNCCC(=O)N 34a_100102712874_100000731001 [0,0,0,0,0,0|4,0,0]=4 962 B13R0.54 CCOCCOCCNOCC(=O)O 269956a_100000106656_100011211534 [0,0,0,0,0,0|4,0,0]=4 963 B13R0.54 CCOCCOCCOCCC(=O)C 34a_100000759926_100011211534 [0,0,0,0,0,0|4,0,0]=4 964 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000210240_100000053229 [0,0,0,0,0,0|4,0,0]=4 965 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000759926_100011211534 [0,0,0,0,0,0|4,0,0]=4 966 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000210240_100000731001 [0,0,0,0,0,0|4,0,0]=4 967 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000757172_100011211534 [0,0,0,0,0,0|4,0,0]=4 968 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000210240_100000744528 [0,0,0,0,0,0|4,0,0]=4 969 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000757172_100011211534 [0,0,0,0,0,0|4,0,0]=4 970 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100000053229_100011211534 [0,0,0,0,0,0|4,0,0]=4 971 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100011211534_100000053229 [0,0,0,0,0,0|4,0,0]=4 972 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100000744528_100011211534 [0,0,0,0,0,0|4,0,0]=4 973 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100011211534_100000744528 [0,0,0,0,0,0|4,0,0]=4 974 B13R0.54 CCOCCSCCCCCB(O)O 62a_100000210147_200009817188 [0,0,0,0,0,0|3,0,1]=4 975 B13R0.54 CCOCCSCCCCCB(O)O 62a_200009817188_100011215890 [0,0,0,0,0,0|3,0,1]=4 976 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,0,0,0,0,0|3,0,0]=3 977 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,0,0,0,0,0|3,0,0]=3 978 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000033659_100011215890 [0,0,0,0,0,0|4,0,0]=4 979 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000210147_100000033659 [0,0,0,0,0,0|4,0,0]=4 980 B13R0.54 CCOCCSCCCCSC(=O)C 62a_100000210147_200010402107 [0,0,0,0,0,0|4,0,0]=4 981 B13R0.54 CCOCCSCCCCSC(=O)C 62a_200010402107_100011215890 [0,0,0,0,0,0|4,0,0]=4 982 B13R0.54 CCOCSCCCCCCB(O)O 62a_100000739092_100009817187 [0,0,0,0,0,0|3,0,1]=4 983 B13R0.54 CCOCSCCCCCCB(O)O 62a_100009817187_100000739092 [0,0,0,0,0,0|3,0,1]=4 984 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000033007_100000739092 [0,0,0,0,0,0|4,0,0]=4 985 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000739092_100000033007 [0,0,0,0,0,0|4,0,0]=4 986 B13R0.54 CCSCCCOCCCCB(O)O 34a_100011216438_200009817182 [0,0,0,0,0,0|3,0,1]=4 987 B13R0.54 CCSCCCOCCCCB(O)O 7a_100011216438_200009817182 [0,0,0,0,0,0|3,0,1]=4 988 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,0,0,0,0,0|3,0,0]=3 989 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,0,0,0,0,0|3,0,0]=3 990 B13R0.54 CCSCCCOCCCOC(=O)C 34a_100011216438_100000042594 [0,0,0,0,0,0|4,0,0]=4 991 B13R0.54 CCSCCCOCCCOC(=O)C 7a_100011216438_100000042594 [0,0,0,0,0,0|4,0,0]=4 992 B13R0.54 CCSCCCOCCCSC(=O)C 34a_100011216438_100000038929 [0,0,0,0,0,0|4,0,0]=4 993 B13R0.54 CCSCCCOCCCSC(=O)C 7a_100011216438_100000038929 [0,0,0,0,0,0|4,0,0]=4 994 B13R0.54 CCSCCCOCCOCC(=O)N 34a_100011216438_100000076697 [0,0,0,0,0,0|4,0,0]=4 995 B13R0.54 CCSCCCOCCOCC(=O)N 7a_100011216438_100000076697 [0,0,0,0,0,0|4,0,0]=4 996 B13R0.54 CCSCCNCCCCCB(O)O 2230a_100000106463_200009817188 [0,0,0,0,0,0|3,0,1]=4 997 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,0,0,0,0,0|3,0,0]=3 998 B13R0.54 CCSCCNCCCCNC(=O)C 2230a_200011368371_100000757381 [0,0,0,0,0,0|4,0,0]=4 999 B13R0.54 CCSCCNCCCCNC(=O)C 34a_200011368371_100000757381 [0,0,0,0,0,0|4,0,0]=4 1000 B13R0.54 CCSCCNCCCCSC(=O)C 2230a_100000106463_200010402107 [0,0,0,0,0,0|4,0,0]=4 1001 B13R0.54 CCSCCOCCCCCB(O)O 34a_100000212035_200009817188 [0,0,0,0,0,0|3,0,1]=4 1002 B13R0.54 CCSCCOCCCCCB(O)O 7a_100000212035_200009817188 [0,0,0,0,0,0|3,0,1]=4 1003 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,0,0,0,0,0|3,0,0]=3 1004 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,0,0,0,0,0|3,0,0]=3 1005 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,0,0,0,0,0|3,0,0]=3 1006 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,0,0,0,0,0|3,0,0]=3 1007 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,0,0,0,0,0|2,0,1]=3 1008 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000073216_100000757381 [0,0,0,0,0,0|4,0,0]=4 1009 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000212035_100000033659 [0,0,0,0,0,0|4,0,0]=4 1010 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000073216_100000757381 [0,0,0,0,0,0|4,0,0]=4 1011 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000212035_100000033659 [0,0,0,0,0,0|4,0,0]=4 1012 B13R0.54 CCSCCOCCCCSC(=O)C 34a_100000212035_200010402107 [0,0,0,0,0,0|4,0,0]=4 1013 B13R0.54 CCSCCOCCCCSC(=O)C 7a_100000212035_200010402107 [0,0,0,0,0,0|4,0,0]=4 1014 B13R0.54 CCSCCSCCCCCB(O)O 62a_100000757381_200009817188 [0,0,0,0,0,0|3,0,1]=4 1015 B13R0.54 CCSCCSCCCCCB(O)O 62a_200009817188_100000757381 [0,0,0,0,0,0|3,0,1]=4 1016 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,0,0,0,0,0|3,0,0]=3 1017 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,0,0,0,0,0|3,0,0]=3 1018 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000033659_100000757381 [0,0,0,0,0,0|4,0,0]=4 1019 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000757381_100000033659 [0,0,0,0,0,0|4,0,0]=4 1020 B13R0.54 CCSCCSCCCCSC(=O)C 62a_100000757381_200010402107 [0,0,0,0,0,0|4,0,0]=4 1021 B13R0.54 CCSCCSCCCCSC(=O)C 62a_200010402107_100000757381 [0,0,0,0,0,0|4,0,0]=4 1022 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [0,0,0,0,0,0|4,0,0]=4 1023 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [0,0,0,0,0,0|4,0,0]=4 1024 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,0,0,0,0,0|3,0,0]=3 1025 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,0,0,0,0,0|3,0,0]=3 1026 B13R0.54 CNCCCCCOCCCC(C)O 34a_100000722520_200000718107 [0,0,0,0,0,0|3,0,1]=4 1027 B13R0.54 CNCCCCCOCCOC(=O)C 34a_100000722520_100009814007 [0,0,0,0,0,0|4,0,0]=4 1028 B13R0.54 CNCCCCCOCCOC(=O)N 34a_100000722520_200011214921 [0,0,0,0,0,0|4,0,0]=4 1029 B13R0.54 CNCCCOCCCCCB(O)O 34a_100000213112_200009817188 [0,0,0,0,0,0|3,0,1]=4 1030 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,0,0,0,0,0|3,0,0]=3 1031 B13R0.54 CNCCCOCCCCOC(=O)C 34a_100000213112_100000033659 [0,0,0,0,0,0|4,0,0]=4 1032 B13R0.54 CNCCCOCCCCSC(=O)C 34a_100000213112_200010402107 [0,0,0,0,0,0|4,0,0]=4 1033 B13R0.54 CNCCOCCOCCCC(=O)C 34a_100000228057_100000685027 [0,0,0,0,0,0|4,0,0]=4 1034 B13R0.54 CNCCOCCOCCCC(=O)N 34a_100000228057_100102525003 [0,0,0,0,0,0|4,0,0]=4 1035 B13R0.54 COCCCCCCNCCC(C)O 2230a_200000755665_100011998445 [0,0,0,0,0,0|3,0,1]=4 1036 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,0,0,0,0,0|3,0,0]=3 1037 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,0,0,0,0,0|3,0,0]=3 1038 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,0,0,0,0,0|3,0,0]=3 1039 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,0,0,0,0,0|3,0,0]=3 1040 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,0,0,0,0,0|3,0,0]=3 1041 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,0,0,0,0,0|3,0,0]=3 1042 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,0,0,0,0,0|3,0,0]=3 1043 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,0,0,0,0,0|3,0,0]=3 1044 B13R0.54 COCCCCCCOCCC(C)O 34a_200012092642_100012276601 [0,0,0,0,0,0|3,0,1]=4 1045 B13R0.54 COCCCCCCOCCC(C)O 7a_200012092642_100012276601 [0,0,0,0,0,0|3,0,1]=4 1046 B13R0.54 COCCCCCCOCOC(=O)C 34a_200012092642_100009813279 [0,0,0,0,0,0|4,0,0]=4 1047 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,0,0,0,0,0|3,0,0]=3 1048 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,0,0,0,0,0|3,0,0]=3 1049 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,0,0,0,0,0|3,0,0]=3 1050 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,0,0,0,0,0|3,0,0]=3 1051 B13R0.54 COCCCCCCSCCC(C)O 62a_100011998445_100012276601 [0,0,0,0,0,0|3,0,1]=4 1052 B13R0.54 COCCCCCCSCCC(C)O 62a_100012276601_100011998445 [0,0,0,0,0,0|3,0,1]=4 1053 B13R0.54 COCCCCCCSCOC(=O)C 62a_100000076356_100011998445 [0,0,0,0,0,0|4,0,0]=4 1054 B13R0.54 COCCCCCCSCOC(=O)C 62a_100011998445_100000076356 [0,0,0,0,0,0|4,0,0]=4 1055 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,0,0,0,0,0|3,0,0]=3 1056 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,0,0,0,0,0|3,0,0]=3 1057 B13R0.54 COCCCCCNCCCC(C)O 2230a_100000747528_200000718107 [0,0,0,0,0,0|3,0,1]=4 1058 B13R0.54 COCCCCCNCCCC(C)O 34a_100000747528_200000718107 [0,0,0,0,0,0|3,0,1]=4 1059 B13R0.54 COCCCCCNCCNC(=O)C 2230a_100000747528_100000189650 [0,0,0,0,0,0|4,0,0]=4 1060 B13R0.54 COCCCCCNCCNC(=O)N 2230a_100000747528_200000034859 [0,0,0,0,0,0|4,0,0]=4 1061 B13R0.54 COCCCCCNCCOC(=O)C 34a_100000747528_100009814007 [0,0,0,0,0,0|4,0,0]=4 1062 B13R0.54 COCCCCCNCCOC(=O)N 34a_100000747528_200011214921 [0,0,0,0,0,0|4,0,0]=4 1063 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,0,0,0,0,0|3,0,0]=3 1064 B13R0.54 COCCCCNCCCNC(=O)C 34a_100000736810_100000755781 [0,0,0,0,0,0|4,0,0]=4 1065 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,0,0,0,0,0|3,0,0]=3 1066 B13R0.54 COCCCCOCCCCB(O)O 34a_100000740925_200009817182 [0,0,0,0,0,0|3,0,1]=4 1067 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,0,0,0,0,0|3,0,0]=3 1068 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,0,0,0,0,0|3,0,0]=3 1069 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,0,0,0,0,0|3,0,0]=3 1070 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000755781 [0,0,0,0,0,0|3,0,1]=4 1071 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000730899 [0,0,0,0,0,0|3,0,1]=4 1072 B13R0.54 COCCCCOCCCNC(=O)C 34a_100000752032_100000755781 [0,0,0,0,0,0|4,0,0]=4 1073 B13R0.54 COCCCCOCCCOC(=O)C 34a_100000740925_100000042594 [0,0,0,0,0,0|4,0,0]=4 1074 B13R0.54 COCCCCOCCCSC(=O)C 34a_100000740925_100000038929 [0,0,0,0,0,0|4,0,0]=4 1075 B13R0.54 COCCCCOCCOCC(=O)N 34a_100000740925_100000076697 [0,0,0,0,0,0|4,0,0]=4 1076 B13R0.54 COCCCCSCCCCB(O)O 62a_100000730899_200009817182 [0,0,0,0,0,0|3,0,1]=4 1077 B13R0.54 COCCCCSCCCCB(O)O 62a_200009817182_100000730899 [0,0,0,0,0,0|3,0,1]=4 1078 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,0,0,0,0,0|3,0,0]=3 1079 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,0,0,0,0,0|3,0,0]=3 1080 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000042594_100000730899 [0,0,0,0,0,0|4,0,0]=4 1081 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000730899_100000042594 [0,0,0,0,0,0|4,0,0]=4 1082 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000038929_100000730899 [0,0,0,0,0,0|4,0,0]=4 1083 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000730899_100000038929 [0,0,0,0,0,0|4,0,0]=4 1084 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000076697_100000730899 [0,0,0,0,0,0|4,0,0]=4 1085 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000730899_100000076697 [0,0,0,0,0,0|4,0,0]=4 1086 B13R0.54 COCCCNCCCCCB(O)O 34a_100150723488_200009817188 [0,0,0,0,0,0|3,0,1]=4 1087 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,0,0,0,0,0|3,0,0]=3 1088 B13R0.54 COCCCNCCCCNC(=O)C 2230a_200011368371_100000740836 [0,0,0,0,0,0|4,0,0]=4 1089 B13R0.54 COCCCNCCCCNC(=O)C 34a_200011368371_100000740836 [0,0,0,0,0,0|4,0,0]=4 1090 B13R0.54 COCCCNCCCCOC(=O)C 34a_100150723488_100000033659 [0,0,0,0,0,0|4,0,0]=4 1091 B13R0.54 COCCCNCCCCSC(=O)C 34a_100150723488_200010402107 [0,0,0,0,0,0|4,0,0]=4 1092 B13R0.54 COCCCOCCCCCB(O)O 34a_100000740835_200009817188 [0,0,0,0,0,0|3,0,1]=4 1093 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,0,0,0,0,0|3,0,0]=3 1094 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,0,0,0,0,0|3,0,0]=3 1095 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,0,0,0,0,0|3,0,0]=3 1096 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,0,0,0,0,0|2,0,1]=3 1097 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000073216_100000740836 [0,0,0,0,0,0|4,0,0]=4 1098 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000740835_100000033659 [0,0,0,0,0,0|4,0,0]=4 1099 B13R0.54 COCCCOCCCCOC(=O)C 7a_100000073216_100000740836 [0,0,0,0,0,0|4,0,0]=4 1100 B13R0.54 COCCCOCCCCSC(=O)C 34a_100000740835_200010402107 [0,0,0,0,0,0|4,0,0]=4 1101 B13R0.54 COCCCOCCCOCC(=O)N 34a_200011215475_100000187820 [0,0,0,0,0,0|4,0,0]=4 1102 B13R0.54 COCCCOCCCOCC(=O)N 7a_200011215475_100000187820 [0,0,0,0,0,0|4,0,0]=4 1103 B13R0.54 COCCCOCCCOCC(=O)[O-] 34a_200011215475_100020667443 [0,0,0,0,0,0|3,0,1]=4 1104 B13R0.54 COCCCSCCCCCB(O)O 62a_100000709357_200009817188 [0,0,0,0,0,0|3,0,1]=4 1105 B13R0.54 COCCCSCCCCCB(O)O 62a_200009817188_100000709357 [0,0,0,0,0,0|3,0,1]=4 1106 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,0,0,0,0,0|3,0,0]=3 1107 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,0,0,0,0,0|3,0,0]=3 1108 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000033659_100000709357 [0,0,0,0,0,0|4,0,0]=4 1109 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000709357_100000033659 [0,0,0,0,0,0|4,0,0]=4 1110 B13R0.54 COCCCSCCCCSC(=O)C 62a_100000709357_200010402107 [0,0,0,0,0,0|4,0,0]=4 1111 B13R0.54 COCCCSCCCCSC(=O)C 62a_200010402107_100000709357 [0,0,0,0,0,0|4,0,0]=4 1112 B13R0.54 COCCNCCCCCCB(O)O 2230a_100000209980_100009817187 [0,0,0,0,0,0|3,0,1]=4 1113 B13R0.54 COCCNCCCCCNC(=O)C 2230a_200012022750_100011201679 [0,0,0,0,0,0|4,0,0]=4 1114 B13R0.54 COCCNCCCCCNC(=O)C 34a_200012022750_100011201679 [0,0,0,0,0,0|4,0,0]=4 1115 B13R0.54 COCCNCCCCCOC(=O)C 2230a_100000209980_100009813381 [0,0,0,0,0,0|4,0,0]=4 1116 B13R0.54 COCCOCCCCCCB(O)O 34a_100000210237_100009817187 [0,0,0,0,0,0|3,0,1]=4 1117 B13R0.54 COCCOCCCCCOC(=O)C 34a_100000210237_100000033007 [0,0,0,0,0,0|4,0,0]=4 1118 B13R0.54 COCCOCCCNCCC(=O)N 2230a_100000206027_100000744528 [0,0,0,0,0,0|4,0,0]=4 1119 B13R0.54 COCCOCCCNCCC(=O)N 34a_100000206027_100000731001 [0,0,0,0,0,0|4,0,0]=4 1120 B13R0.54 COCCOCCCNOCC(=O)O 269956a_100000106656_100011216529 [0,0,0,0,0,0|4,0,0]=4 1121 B13R0.54 COCCOCCCOCCC(=O)C 34a_100000759926_100011216529 [0,0,0,0,0,0|4,0,0]=4 1122 B13R0.54 COCCOCCCOCCC(=O)C 7a_100000759926_100011216529 [0,0,0,0,0,0|4,0,0]=4 1123 B13R0.54 COCCOCCCOCCC(=O)N 34a_100000757172_100011216529 [0,0,0,0,0,0|4,0,0]=4 1124 B13R0.54 COCCOCCCOCCC(=O)N 7a_100000757172_100011216529 [0,0,0,0,0,0|4,0,0]=4 1125 B13R0.54 COCCOCCCSCCC(=O)C 62a_100000053229_100011216529 [0,0,0,0,0,0|4,0,0]=4 1126 B13R0.54 COCCOCCCSCCC(=O)C 62a_100011216529_100000053229 [0,0,0,0,0,0|4,0,0]=4 1127 B13R0.54 COCCOCCCSCCC(=O)N 62a_100000744528_100011216529 [0,0,0,0,0,0|4,0,0]=4 1128 B13R0.54 COCCOCCCSCCC(=O)N 62a_100011216529_100000744528 [0,0,0,0,0,0|4,0,0]=4 1129 B13R0.54 COCCOCCNCCCC(=O)C 34a_100000745349_100000685027 [0,0,0,0,0,0|4,0,0]=4 1130 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000739312_100000695917 [0,0,0,0,0,0|4,0,0]=4 1131 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000745349_100102525003 [0,0,0,0,0,0|4,0,0]=4 1132 B13R0.54 COCCOCCOCCCC(=O)C 34a_100000759063_100000695917 [0,0,0,0,0,0|4,0,0]=4 1133 B13R0.54 COCCOCCOCCCC(=O)C 34a_100011215163_100000685027 [0,0,0,0,0,0|4,0,0]=4 1134 B13R0.54 COCCOCCOCCCC(=O)C 7a_100000759063_100000695917 [0,0,0,0,0,0|4,0,0]=4 1135 B13R0.54 COCCOCCOCCCC(=O)C 7a_100011215163_100011215641 [0,0,0,0,0,0|4,0,0]=4 1136 B13R0.54 COCCOCCOCCCC(=O)N 34a_100011215163_100102525003 [0,0,0,0,0,0|4,0,0]=4 1137 B13R0.54 COCCOCCOCCCC(=O)N 7a_100011215163_100102525003 [0,0,0,0,0,0|4,0,0]=4 1138 B13R0.54 COCCOCCSCCCC(=O)C 62a_100000695917_100011215641 [0,0,0,0,0,0|4,0,0]=4 1139 B13R0.54 COCCOCCSCCCC(=O)C 62a_100011215641_100000695917 [0,0,0,0,0,0|4,0,0]=4 1140 B13R0.54 COCCOCCSCCCC(=O)N 62a_100000695917_100102525003 [0,0,0,0,0,0|4,0,0]=4 1141 B13R0.54 COCCOCCSCCCC(=O)N 62a_100102525003_100000695917 [0,0,0,0,0,0|4,0,0]=4 1142 B13R0.54 COCCOCNCCOCC(=O)O 269956a_100000700818_100000231047 [0,0,0,0,0,0|4,0,0]=4 1143 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000231047_100000735457 [0,0,0,0,0,0|4,0,0]=4 1144 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000735457_100000231047 [0,0,0,0,0,0|4,0,0]=4 1145 B13R0.54 COCCSCCCCCCB(O)O 62a_100000233755_100009817187 [0,0,0,0,0,0|3,0,1]=4 1146 B13R0.54 COCCSCCCCCCB(O)O 62a_100009817187_100000233755 [0,0,0,0,0,0|3,0,1]=4 1147 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000033007_100000233755 [0,0,0,0,0,0|4,0,0]=4 1148 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000233755_100000033007 [0,0,0,0,0,0|4,0,0]=4 1149 B13R0.54 COCNCCCCCCNC(=O)C 2230a_200011996284_100000766300 [0,0,0,0,0,0|4,0,0]=4 1150 B13R0.54 COCNCCOCCOCC(=O)O 269956a_100009854275_100000766300 [0,0,0,0,0,0|4,0,0]=4 1151 B13R0.54 CS(=O)CCCNCCCCCCF 2230a_200000753449_100015922095 [0,0,0,0,0,0|4,0,0]=4 1152 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [0,0,0,0,0,0|4,0,0]=4 1153 B13R0.54 CSCCCCOCCCCB(O)O 34a_100011217163_200009817182 [0,0,0,0,0,0|3,0,1]=4 1154 B13R0.54 CSCCCCOCCCCB(O)O 7a_100011217163_200009817182 [0,0,0,0,0,0|3,0,1]=4 1155 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,0,0,0,0,0|3,0,0]=3 1156 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,0,0,0,0,0|3,0,0]=3 1157 B13R0.54 CSCCCCOCCCOC(=O)C 34a_100011217163_100000042594 [0,0,0,0,0,0|4,0,0]=4 1158 B13R0.54 CSCCCCOCCCOC(=O)C 7a_100011217163_100000042594 [0,0,0,0,0,0|4,0,0]=4 1159 B13R0.54 CSCCCCOCCCSC(=O)C 34a_100011217163_100000038929 [0,0,0,0,0,0|4,0,0]=4 1160 B13R0.54 CSCCCCOCCCSC(=O)C 7a_100011217163_100000038929 [0,0,0,0,0,0|4,0,0]=4 1161 B13R0.54 CSCCCCOCCOCC(=O)N 34a_100011217163_100000076697 [0,0,0,0,0,0|4,0,0]=4 1162 B13R0.54 CSCCCCOCCOCC(=O)N 7a_100011217163_100000076697 [0,0,0,0,0,0|4,0,0]=4 1163 B13R0.54 CSCCCNCCCCCB(O)O 2230a_100000749238_200009817188 [0,0,0,0,0,0|3,0,1]=4 1164 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,0,0,0,0,0|3,0,0]=3 1165 B13R0.54 CSCCCNCCCCSC(=O)C 2230a_100000749238_200010402107 [0,0,0,0,0,0|4,0,0]=4 1166 B13R0.54 CSCCCOCCCCCB(O)O 34a_100000690336_200009817188 [0,0,0,0,0,0|3,0,1]=4 1167 B13R0.54 CSCCCOCCCCCB(O)O 7a_100000690336_200009817188 [0,0,0,0,0,0|3,0,1]=4 1168 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,0,0,0,0,0|3,0,0]=3 1169 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,0,0,0,0,0|3,0,0]=3 1170 B13R0.54 CSCCCOCCCCOC(=O)C 34a_100000690336_100000033659 [0,0,0,0,0,0|4,0,0]=4 1171 B13R0.54 CSCCCOCCCCOC(=O)C 7a_100000690336_100000033659 [0,0,0,0,0,0|4,0,0]=4 1172 B13R0.54 CSCCCOCCCCSC(=O)C 34a_100000690336_200010402107 [0,0,0,0,0,0|4,0,0]=4 1173 B13R0.54 CSCCCOCCCCSC(=O)C 7a_100000690336_200010402107 [0,0,0,0,0,0|4,0,0]=4 1174 B13R0.54 CSCCNCCCCCCB(O)O 2230a_100020590264_100009817187 [0,0,0,0,0,0|3,0,1]=4 1175 B13R0.54 CSCCNCCCCCNC(=O)C 2230a_200012022750_100000751147 [0,0,0,0,0,0|4,0,0]=4 1176 B13R0.54 CSCCNCCCCCNC(=O)C 34a_200012022750_100000212216 [0,0,0,0,0,0|4,0,0]=4 1177 B13R0.54 CSCCNCCCCCOC(=O)C 2230a_100020590264_100009813381 [0,0,0,0,0,0|4,0,0]=4 1178 B13R0.54 CSCCOCCCCCCB(O)O 34a_100000230434_100009817187 [0,0,0,0,0,0|3,0,1]=4 1179 B13R0.54 CSCCOCCCCCCB(O)O 7a_100000230434_100009817187 [0,0,0,0,0,0|3,0,1]=4 1180 B13R0.54 CSCCOCCCCCOC(=O)C 34a_100000230434_100000033007 [0,0,0,0,0,0|4,0,0]=4 1181 B13R0.54 CSCCOCCCCCOC(=O)C 7a_100000230434_100000033007 [0,0,0,0,0,0|4,0,0]=4 1182 B13R0.54 CSCCSCCCCCCB(O)O 62a_100000212216_100009817187 [0,0,0,0,0,0|3,0,1]=4 1183 B13R0.54 CSCCSCCCCCCB(O)O 62a_100009817187_100000751147 [0,0,0,0,0,0|3,0,1]=4 1184 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000033007_100000751147 [0,0,0,0,0,0|4,0,0]=4 1185 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000212216_100000033007 [0,0,0,0,0,0|4,0,0]=4 1186 B13R0.54 CSCNCCCCCCNC(=O)C 2230a_200011996284_100011218213 [0,0,0,0,0,0|4,0,0]=4 1187 B13R0.54 CSCNCCCCCCNC(=O)C 34a_200011996284_100011218213 [0,0,0,0,0,0|4,0,0]=4 1188 B13R0.54 CSCNCCOCCOCC(=O)O 269956a_100009854275_100011218213 [0,0,0,0,0,0|4,0,0]=4 1189 B13R0.54 C[C@@H](O)CNCCCCCCCCO 2230a_102515433106_100009817552 [0,0,0,0,0,0|3,0,1]=4 1190 B13R0.54 C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100009817552 [0,0,0,0,0,0|3,0,1]=4 1191 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [0,0,0,0,0,0|3,0,1]=4 1192 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [0,0,0,0,0,0|3,0,1]=4 1193 B13R0.54 C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100009817552 [0,0,0,0,0,0|3,0,1]=4 1194 B13R0.54 C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100009817552 [0,0,0,0,0,0|3,0,1]=4 1195 B13R0.54 C[C@@H](O)COCCCCCCCCN 34a_102515433106_100009817552 [0,0,0,0,0,0|3,0,1]=4 1196 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100009817552 [0,0,0,0,0,0|3,0,1]=4 1197 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100009817552_100000033203 [0,0,0,0,0,0|3,0,1]=4 1198 B13R0.54 N#CCCCCCCNOCC(=O)O 269956a_100000106656_100009813337 [0,0,0,0,0,0|3,0,1]=4 1199 B13R0.54 N#CCCCCCCOCCC(=O)N 7a_100000757172_100009813337 [0,0,0,0,0,0|3,0,1]=4 1200 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100000744528_100009813337 [0,0,0,0,0,0|3,0,1]=4 1201 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100009813337_100000744528 [0,0,0,0,0,0|3,0,1]=4 1202 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100009813376_100102525003 [0,0,0,0,0,0|3,0,1]=4 1203 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100102525003_100009813376 [0,0,0,0,0,0|3,0,1]=4 1204 B13R0.54 N#CCCCCNCCOCC(=O)O 269956a_100000700818_100011219923 [0,0,0,0,0,0|3,0,1]=4 1205 B13R0.54 N#CCCCCOCCCCC(=O)N 7a_100012022536_100000211819 [0,0,0,0,0,0|3,0,1]=4 1206 B13R0.54 N#CCCCOCCCCCC(=O)N 7a_100000123541_100000687738 [0,0,0,0,0,0|3,0,1]=4 1207 B13R0.54 N#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000687738 [0,0,0,0,0,0|2,0,2]=4 1208 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100000687738_100009817443 [0,0,0,0,0,0|3,0,1]=4 1209 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100009817443_100000687738 [0,0,0,0,0,0|3,0,1]=4 1210 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,0,0,0,0,0|3,0,0]=3 1211 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,0,0,0,0,0|3,0,0]=3 1212 B13R0.54 NC(=O)CCCCCOCCCC=O 7a_100000123541_200011292268 [0,0,0,0,0,0|3,0,1]=4 1213 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,0,0,0,0,0|3,0,0]=3 1214 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,0,0,0,0,0|3,0,0]=3 1215 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,0,0,0,0,0|3,0,0]=3 1216 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,0,0,0,0,0|3,0,0]=3 1217 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,0,0,0,0,0|3,0,0]=3 1218 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,0,0,0,0,0|3,0,0]=3 1219 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,0,0,0,0,0|3,0,0]=3 1220 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,0,0,0,0,0|3,0,0]=3 1221 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,0,0,0,0,0|3,0,0]=3 1222 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,0,0,0,0,0|3,0,0]=3 1223 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_100009817443_200011292268 [0,0,0,0,0,0|3,0,1]=4 1224 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_200011292268_100009817443 [0,0,0,0,0,0|3,0,1]=4 1225 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,0,0,0,0,0|3,0,0]=3 1226 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,0,0,0,0,0|3,0,0]=3 1227 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,0,0,0,0,0|3,0,0]=3 1228 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,0,0,0,0,0|3,0,0]=3 1229 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,0,0,0,0,0|3,0,0]=3 1230 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,0,0,0,0,0|3,0,0]=3 1231 B13R0.54 NC(=O)CCCCNCCOCCO 34a_100000696515_100000692535 [0,0,0,0,0,0|4,0,0]=4 1232 B13R0.54 NC(=O)CCCCOCCCCC=O 7a_100012022536_100000139335 [0,0,0,0,0,0|3,0,1]=4 1233 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,0,0,0,0,0|3,0,0]=3 1234 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,0,0,0,0,0|3,0,0]=3 1235 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,0,0,0,0,0|3,0,0]=3 1236 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,0,0,0,0,0|3,0,0]=3 1237 B13R0.54 NC(=O)CCCCOCCOCCO 34a_100012022536_100000692535 [0,0,0,0,0,0|4,0,0]=4 1238 B13R0.54 NC(=O)CCCCOCCOCCO 7a_100012022536_100011215305 [0,0,0,0,0,0|4,0,0]=4 1239 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,0,0,0,0,0|3,0,0]=3 1240 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,0,0,0,0,0|3,0,0]=3 1241 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,0,0,0,0,0|3,0,0]=3 1242 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,0,0,0,0,0|3,0,0]=3 1243 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,0,0,0,0,0|3,0,0]=3 1244 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,0,0,0,0,0|3,0,0]=3 1245 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,0,0,0,0,0|3,0,0]=3 1246 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,0,0,0,0,0|3,0,0]=3 1247 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,0,0,0,0,0|3,0,0]=3 1248 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100000139337_100102525003 [0,0,0,0,0,0|3,0,1]=4 1249 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100102525003_100000139337 [0,0,0,0,0,0|3,0,1]=4 1250 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,0,0,0,0,0|3,0,0]=3 1251 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,0,0,0,0,0|3,0,0]=3 1252 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,0,0,0,0,0|3,0,0]=3 1253 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,0,0,0,0,0|3,0,0]=3 1254 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,0,0,0,0,0|3,0,0]=3 1255 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,0,0,0,0,0|3,0,0]=3 1256 B13R0.54 NC(=O)CCNCCCOCCCO 2230a_100011310245_100000744528 [0,0,0,0,0,0|4,0,0]=4 1257 B13R0.54 NC(=O)CCNCCCOCCCO 34a_100011310245_100000731001 [0,0,0,0,0,0|4,0,0]=4 1258 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,0,0,0,0,0|3,0,0]=3 1259 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,0,0,0,0,0|3,0,0]=3 1260 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,0,0,0,0,0|3,0,0]=3 1261 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,0,0,0,0,0|3,0,0]=3 1262 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,0,0,0,0,0|3,0,0]=3 1263 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,0,0,0,0,0|3,0,0]=3 1264 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,0,0,0,0,0|3,0,0]=3 1265 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,0,0,0,0,0|3,0,0]=3 1266 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,0,0,0,0,0|3,0,0]=3 1267 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,0,0,0,0,0|3,0,0]=3 1268 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,0,0,0,0,0|3,0,0]=3 1269 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,0,0,0,0,0|3,0,0]=3 1270 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,0,0,0,0,0|3,0,0]=3 1271 B13R0.54 NC(=O)COCCNCCCCCO 2230a_100000762737_100000076697 [0,0,0,0,0,0|4,0,0]=4 1272 B13R0.54 NC(=O)COCCNCCCCCO 34a_100000762737_100000076697 [0,0,0,0,0,0|4,0,0]=4 1273 B13R0.54 NC(=O)COCCOCCCCCBr 34a_100000746331_100000076697 [0,0,0,0,0,0|4,0,0]=4 1274 B13R0.54 NC(=O)COCCOCCCCCBr 7a_100000746331_100000076697 [0,0,0,0,0,0|4,0,0]=4 1275 B13R0.54 NC(=O)COCCOCCCCCCl 34a_100000746330_100000076697 [0,0,0,0,0,0|4,0,0]=4 1276 B13R0.54 NC(=O)COCCOCCCCCCl 7a_100000746330_100000076697 [0,0,0,0,0,0|4,0,0]=4 1277 B13R0.54 NC(=O)COCCOCCCCCI 34a_200012148887_100000076697 [0,0,0,0,0,0|4,0,0]=4 1278 B13R0.54 NC(=O)COCCOCCCCCI 7a_200012148887_100000076697 [0,0,0,0,0,0|4,0,0]=4 1279 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000076697_100000729378 [0,0,0,0,0,0|4,0,0]=4 1280 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000729378_100000076697 [0,0,0,0,0,0|4,0,0]=4 1281 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000076697_100000746330 [0,0,0,0,0,0|4,0,0]=4 1282 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000746330_100000076697 [0,0,0,0,0,0|4,0,0]=4 1283 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,0,0,0,0,0|3,0,0]=3 1284 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,0,0,0,0,0|3,0,0]=3 1285 B13R0.54 NC(=O)NCCNCCCCCCF 34a_100020590234_100015922095 [0,0,0,0,0,0|4,0,0]=4 1286 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [0,0,0,0,0,0|4,0,0]=4 1287 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [0,0,0,0,0,0|4,0,0]=4 1288 B13R0.54 NC(=O)NCCOCCCCCCBr 7a_100011215345_200000034859 [0,0,0,0,0,0|4,0,0]=4 1289 B13R0.54 NC(=O)NCCOCCCCCCCl 7a_100000766143_200000034859 [0,0,0,0,0,0|4,0,0]=4 1290 B13R0.54 NC(=O)NCCOCCCCCCF 34a_100000181757_100015922095 [0,0,0,0,0,0|4,0,0]=4 1291 B13R0.54 NC(=O)NCCOCCCCCCF 7a_100000732779_200000034859 [0,0,0,0,0,0|4,0,0]=4 1292 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [0,0,0,0,0,0|4,0,0]=4 1293 B13R0.54 NC(=O)NCCSCCCCCCF 62a_100015922095_200000034859 [0,0,0,0,0,0|4,0,0]=4 1294 B13R0.54 NC(=O)NCCSCCCCCCF 62a_200000034859_100015922095 [0,0,0,0,0,0|4,0,0]=4 1295 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [0,0,0,0,0,0|4,0,0]=4 1296 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [0,0,0,0,0,0|4,0,0]=4 1297 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [0,0,0,0,0,0|4,0,0]=4 1298 B13R0.54 NC(=O)OCCOCCCCCCBr 34a_100011215345_200011214921 [0,0,0,0,0,0|4,0,0]=4 1299 B13R0.54 NC(=O)OCCOCCCCCCBr 7a_100011215345_200011214921 [0,0,0,0,0,0|4,0,0]=4 1300 B13R0.54 NC(=O)OCCOCCCCCCCl 34a_100000766143_200011214921 [0,0,0,0,0,0|4,0,0]=4 1301 B13R0.54 NC(=O)OCCOCCCCCCCl 7a_100000766143_200011214921 [0,0,0,0,0,0|4,0,0]=4 1302 B13R0.54 NC(=O)OCCOCCCCCCF 34a_100000732779_200011214921 [0,0,0,0,0,0|4,0,0]=4 1303 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000732779_200011214921 [0,0,0,0,0,0|4,0,0]=4 1304 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000766696_100015922095 [0,0,0,0,0,0|4,0,0]=4 1305 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [0,0,0,0,0,0|4,0,0]=4 1306 B13R0.54 NC(=O)OCCSCCCCCCF 62a_100015922095_200011214921 [0,0,0,0,0,0|4,0,0]=4 1307 B13R0.54 NC(=O)OCCSCCCCCCF 62a_200011214921_100015922095 [0,0,0,0,0,0|4,0,0]=4 1308 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [0,0,0,0,0,0|4,0,0]=4 1309 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [0,0,0,0,0,0|4,0,0]=4 1310 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,0,0,0,0,0|3,0,0]=3 1311 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,0,0,0,0,0|2,0,1]=3 1312 B13R0.54 NCCCCCCCCOC[N+](=O)[O-] 34a_102515433106_100000761209 [0,0,0,0,0,0|3,0,1]=4 1313 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,0,0,0,0,0|3,0,0]=3 1314 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,0,0,0,0,0|3,0,0]=3 1315 B13R0.54 NCCCCCCOCCOC(=O)N 34a_100000686447_200011214921 [0,0,0,0,0,0|4,0,0]=4 1316 B13R0.54 NCCCCCOCCCCB(O)O 34a_100000762737_200009817182 [0,0,0,0,0,0|3,0,1]=4 1317 B13R0.54 NCCCCCOCCOCC(=O)N 34a_100000762737_100000076697 [0,0,0,0,0,0|4,0,0]=4 1318 B13R0.54 NCCCCOCCCCCB(O)O 34a_100000750430_200009817188 [0,0,0,0,0,0|3,0,1]=4 1319 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,0,0,0,0,0|3,0,0]=3 1320 B13R0.54 NCCCOCCCCCCB(O)O 34a_100000182051_100009817187 [0,0,0,0,0,0|3,0,1]=4 1321 B13R0.54 NCCCOCCCOCCC(=O)N 34a_100011310245_100000731001 [0,0,0,0,0,0|4,0,0]=4 1322 B13R0.54 NCCNCCCCCOCC(=O)N 34a_103619048469_100000187820 [0,0,0,0,0,0|4,0,0]=4 1323 B13R0.54 NCCNCCCCCOCC(=O)[O-] 34a_103619048469_100020667443 [0,0,0,0,0,0|3,0,1]=4 1324 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,0,0,0,0,0|2,0,0]=2 1325 B13R0.54 O=C(O)CNCCOCCOCCO 269956a_100016091260_100000032323 [0,0,0,0,0,0|4,0,0]=4 1326 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,0,0,0,0,0|3,0,0]=3 1327 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,0,0,0,0,0|3,0,0]=3 1328 B13R0.54 O=C(O)COCCNCCOCCO 269956a_100000700818_100011215305 [0,0,0,0,0,0|4,0,0]=4 1329 B13R0.54 O=C(O)COCCOCCNCCF 269956a_100009854275_100011217306 [0,0,0,0,0,0|4,0,0]=4 1330 B13R0.54 O=C(O)COCCOCCNCCO 269956a_100009854275_100000211926 [0,0,0,0,0,0|4,0,0]=4 1331 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,0,0,0,0,0|3,0,0]=3 1332 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,0,0,0,0,0|2,0,1]=3 1333 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,0,0,0,0,0|2,0,1]=3 1334 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,0,0,0,0,0|2,0,1]=3 1335 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,0,0,0,0,0|2,0,1]=3 1336 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,0,0,0,0,0|2,0,1]=3 1337 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,0,0,0,0,0|2,0,1]=3 1338 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,0,0,0,0,0|2,0,1]=3 1339 B13R0.54 O=CCCCCNCCOCC(=O)O 269956a_100000700818_100000139335 [0,0,0,0,0,0|3,0,1]=4 1340 B13R0.54 O=CCCCOCCCCCC(=O)[O-] 7a_100102619762_200011292268 [0,0,0,0,0,0|2,0,2]=4 1341 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 34a_200015379883_100000729378 [0,0,0,0,0,0|3,0,1]=4 1342 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 7a_200015379883_100000729378 [0,0,0,0,0,0|3,0,1]=4 1343 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 34a_200015379883_100000746330 [0,0,0,0,0,0|3,0,1]=4 1344 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 7a_200015379883_100000746330 [0,0,0,0,0,0|3,0,1]=4 1345 B13R0.54 O=[N+]([O-])CCCOCCCCCCF 34a_200000037920_100015922095 [0,0,0,0,0,0|3,0,1]=4 1346 B13R0.54 O=[N+]([O-])CCCOCCCCCCO 34a_200000037920_100000766143 [0,0,0,0,0,0|3,0,1]=4 1347 B13R0.54 O=[N+]([O-])CNCCCCCCCCO 34a_102515433106_100000761209 [0,0,0,0,0,0|3,0,1]=4 1348 B13R0.54 O=[N+]([O-])COCCCCCCCCBr 34a_100009813846_100000761209 [0,0,0,0,0,0|3,0,1]=4 1349 B13R0.54 O=[N+]([O-])COCCCCCCCCCl 34a_100000033203_100000761209 [0,0,0,0,0,0|3,0,1]=4 1350 B13R0.54 O=[N+]([O-])CSCCCCCCCCO 62a_100000033203_100000761209 [0,0,0,0,0,0|3,0,1]=4 1351 B13R0.54 OB(O)CCCCCCNCCCF 2230a_100015189416_100009817187 [0,0,0,0,0,0|3,0,1]=4 1352 B13R0.54 OB(O)CCCCCCNCCCF 34a_100015189416_100009817187 [0,0,0,0,0,0|3,0,1]=4 1353 B13R0.54 OB(O)CCCCCCOCCCBr 34a_100011217188_100009817187 [0,0,0,0,0,0|3,0,1]=4 1354 B13R0.54 OB(O)CCCCCCOCCCCl 34a_100000230001_100009817187 [0,0,0,0,0,0|3,0,1]=4 1355 B13R0.54 OB(O)CCCCCCOCCCF 34a_100000759539_100009817187 [0,0,0,0,0,0|3,0,1]=4 1356 B13R0.54 OB(O)CCCCCCSCCCF 62a_100009817187_100011934791 [0,0,0,0,0,0|3,0,1]=4 1357 B13R0.54 OB(O)CCCCCCSCCCF 62a_100011934791_100009817187 [0,0,0,0,0,0|3,0,1]=4 1358 B13R0.54 OB(O)CCCCCOCCCCBr 34a_100011216708_200009817188 [0,0,0,0,0,0|3,0,1]=4 1359 B13R0.54 OB(O)CCCCCOCCCCCl 34a_100000210776_200009817188 [0,0,0,0,0,0|3,0,1]=4 1360 B13R0.54 OB(O)CCCCCOCCCCCl 7a_100000210776_200009817188 [0,0,0,0,0,0|3,0,1]=4 1361 B13R0.54 OB(O)CCCCCOCCCCF 34a_100011995726_200009817188 [0,0,0,0,0,0|3,0,1]=4 1362 B13R0.54 OB(O)CCCCCOCCCCF 7a_100011995726_200009817188 [0,0,0,0,0,0|3,0,1]=4 1363 B13R0.54 OB(O)CCCCCOCCCCI 34a_200012148704_200009817188 [0,0,0,0,0,0|3,0,1]=4 1364 B13R0.54 OB(O)CCCCCSCCCCF 62a_100000729493_200009817188 [0,0,0,0,0,0|3,0,1]=4 1365 B13R0.54 OB(O)CCCCCSCCCCF 62a_200009817188_100000729493 [0,0,0,0,0,0|3,0,1]=4 1366 B13R0.54 OB(O)CCCCOCCCCCBr 34a_100000746331_200009817182 [0,0,0,0,0,0|3,0,1]=4 1367 B13R0.54 OB(O)CCCCOCCCCCBr 7a_100000746331_200009817182 [0,0,0,0,0,0|3,0,1]=4 1368 B13R0.54 OB(O)CCCCOCCCCCCl 34a_100000746330_200009817182 [0,0,0,0,0,0|3,0,1]=4 1369 B13R0.54 OB(O)CCCCOCCCCCCl 7a_100000746330_200009817182 [0,0,0,0,0,0|3,0,1]=4 1370 B13R0.54 OB(O)CCCCOCCCCCI 34a_200012148887_200009817182 [0,0,0,0,0,0|3,0,1]=4 1371 B13R0.54 OB(O)CCCCOCCCCCI 7a_200012148887_200009817182 [0,0,0,0,0,0|3,0,1]=4 1372 B13R0.54 OB(O)CCCCSCCCCCF 62a_100000729378_200009817182 [0,0,0,0,0,0|3,0,1]=4 1373 B13R0.54 OB(O)CCCCSCCCCCF 62a_200009817182_100000729378 [0,0,0,0,0,0|3,0,1]=4 1374 B13R0.54 OCCCCCNCCCCB(O)O 2230a_100000762737_200009817182 [0,0,0,0,0,0|3,0,1]=4 1375 B13R0.54 OCCCCCNCCCCB(O)O 34a_100000762737_200009817182 [0,0,0,0,0,0|3,0,1]=4 1376 B13R0.54 OCCCCCSCCCCB(O)O 62a_100000746330_200009817182 [0,0,0,0,0,0|3,0,1]=4 1377 B13R0.54 OCCCCCSCCCCB(O)O 62a_200009817182_100000746330 [0,0,0,0,0,0|3,0,1]=4 1378 B13R0.54 OCCCCNCCCCCB(O)O 2230a_100000750430_200009817188 [0,0,0,0,0,0|3,0,1]=4 1379 B13R0.54 OCCCCNCCCCCB(O)O 34a_100000750430_200009817188 [0,0,0,0,0,0|3,0,1]=4 1380 B13R0.54 OCCCCSCCCCCB(O)O 62a_100000210776_200009817188 [0,0,0,0,0,0|3,0,1]=4 1381 B13R0.54 OCCCCSCCCCCB(O)O 62a_200009817188_100000210776 [0,0,0,0,0,0|3,0,1]=4 1382 B13R0.54 OCCCSCCCCCCB(O)O 62a_100009817187_100011215043 [0,0,0,0,0,0|3,0,1]=4 1383 B13R0.54 OCCCSCCCCCCB(O)O 62a_100011215043_100009817187 [0,0,0,0,0,0|3,0,1]=4 1384 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [1,0,0,0,0,0|2,0,1]=4 1385 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [1,0,0,0,0,0|2,0,1]=4 1386 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [1,0,0,0,0,0|2,0,1]=4 1387 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [1,0,0,0,0,0|2,0,1]=4 1388 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [1,0,0,0,0,0|2,0,1]=4 1389 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [1,0,0,0,0,0|2,0,1]=4 1390 B12R0.5 C#CCCCCCCCOCC=O 34a_100000054614_200009817547 [1,0,0,0,0,0|1,0,2]=4 1391 B12R0.5 C#CCCCCCCCOCC=O 7a_100000054614_200015260668 [1,0,0,0,0,0|1,0,2]=4 1392 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [1,0,0,0,0,0|2,0,1]=4 1393 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [1,0,0,0,0,0|2,0,1]=4 1394 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [1,0,0,0,0,0|2,0,1]=4 1395 B12R0.5 C#CCCCCCCCSCC=O 62a_100153394163_200015260668 [1,0,0,0,0,0|1,0,2]=4 1396 B12R0.5 C#CCCCCCCCSCC=O 62a_200015260668_100153394163 [1,0,0,0,0,0|1,0,2]=4 1397 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [1,0,0,0,0,0|2,0,1]=4 1398 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [1,0,0,0,0,0|2,0,1]=4 1399 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [1,0,0,0,0,0|2,0,1]=4 1400 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [1,0,0,0,0,0|2,0,1]=4 1401 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [1,0,0,0,0,0|2,0,1]=4 1402 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [1,0,0,0,0,0|2,0,1]=4 1403 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [1,0,0,0,0,0|2,0,1]=4 1404 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [1,0,0,0,0,0|2,0,1]=4 1405 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [1,0,0,0,0,0|2,0,1]=4 1406 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [1,0,0,0,0,0|2,0,1]=4 1407 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [1,0,0,0,0,0|2,0,1]=4 1408 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [1,0,0,0,0,0|1,0,2]=4 1409 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [1,0,0,0,0,0|2,0,1]=4 1410 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [1,0,0,0,0,0|2,0,1]=4 1411 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [1,0,0,0,0,0|2,0,1]=4 1412 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [1,0,0,0,0,0|2,0,1]=4 1413 B12R0.5 C#CCCCCCSCCCC=O 62a_100012094781_200011292268 [1,0,0,0,0,0|1,0,2]=4 1414 B12R0.5 C#CCCCCCSCCCC=O 62a_200011292268_100012094781 [1,0,0,0,0,0|1,0,2]=4 1415 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [1,0,0,0,0,0|2,0,1]=4 1416 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [1,0,0,0,0,0|2,0,1]=4 1417 B12R0.5 C#CCCCCNCCCCC=O 2230a_100000706060_100000139335 [1,0,0,0,0,0|1,0,2]=4 1418 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [1,0,0,0,0,0|2,0,1]=4 1419 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [1,0,0,0,0,0|2,0,1]=4 1420 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [1,0,0,0,0,0|2,0,1]=4 1421 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [1,0,0,0,0,0|1,0,2]=4 1422 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [1,0,0,0,0,0|2,0,1]=4 1423 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [1,0,0,0,0,0|2,0,1]=4 1424 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [1,0,0,0,0,0|2,0,1]=4 1425 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [1,0,0,0,0,0|2,0,1]=4 1426 B12R0.5 C#CCCCCSCCCCC=O 62a_100000139335_100010269958 [1,0,0,0,0,0|1,0,2]=4 1427 B12R0.5 C#CCCCCSCCCCC=O 62a_100010269958_100000139335 [1,0,0,0,0,0|1,0,2]=4 1428 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [1,0,0,0,0,0|2,0,1]=4 1429 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [1,0,0,0,0,0|2,0,1]=4 1430 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [1,0,0,0,0,0|2,0,1]=4 1431 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [1,0,0,0,0,0|2,0,1]=4 1432 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [1,0,0,0,0,0|1,0,2]=4 1433 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [1,0,0,0,0,0|2,0,1]=4 1434 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [1,0,0,0,0,0|2,0,1]=4 1435 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [1,0,0,0,0,0|2,0,1]=4 1436 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [1,0,0,0,0,0|2,0,1]=4 1437 B12R0.5 C#CCCCSCCCCCC=O 62a_100000139337_100011215417 [1,0,0,0,0,0|1,0,2]=4 1438 B12R0.5 C#CCCCSCCCCCC=O 62a_100011215417_100000139337 [1,0,0,0,0,0|1,0,2]=4 1439 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [1,0,0,0,0,0|2,0,1]=4 1440 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [1,0,0,0,0,0|2,0,1]=4 1441 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [1,0,0,0,0,0|2,0,1]=4 1442 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [1,0,0,0,0,0|2,0,1]=4 1443 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [1,0,0,0,0,0|2,0,1]=4 1444 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [1,0,0,0,0,0|2,0,1]=4 1445 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [1,0,0,0,0,0|2,0,1]=4 1446 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [1,0,0,0,0,0|2,0,1]=4 1447 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [1,0,0,0,0,0|2,0,1]=4 1448 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [1,0,0,0,0,0|2,0,1]=4 1449 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [1,0,0,0,0,0|2,0,1]=4 1450 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [1,0,0,0,0,0|2,0,1]=4 1451 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [1,0,0,0,0,0|2,0,1]=4 1452 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [1,0,0,0,0,0|2,0,1]=4 1453 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [1,0,0,0,0,0|2,0,1]=4 1454 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [1,0,0,0,0,0|2,0,1]=4 1455 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [1,0,0,0,0,0|2,0,1]=4 1456 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [1,0,0,0,0,0|2,0,1]=4 1457 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [1,0,0,0,0,0|2,0,1]=4 1458 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [1,0,0,0,0,0|2,0,1]=4 1459 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [1,0,0,0,0,0|2,0,1]=4 1460 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [1,0,0,0,0,0|2,0,1]=4 1461 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [1,0,0,0,0,0|2,0,1]=4 1462 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [1,0,0,0,0,0|2,0,1]=4 1463 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [1,0,0,0,0,0|2,0,0]=3 1464 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [1,0,0,0,0,0|2,0,0]=3 1465 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [1,0,0,0,0,0|2,0,0]=3 1466 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [1,0,0,0,0,0|2,0,0]=3 1467 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [1,0,0,0,0,0|2,0,0]=3 1468 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [1,0,0,0,0,0|2,0,0]=3 1469 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [1,0,0,0,0,0|2,0,0]=3 1470 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [1,0,0,0,0,0|2,0,0]=3 1471 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [1,0,0,0,0,0|2,0,0]=3 1472 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [1,0,0,0,0,0|2,0,0]=3 1473 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [1,0,0,0,0,0|2,0,0]=3 1474 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [1,0,0,0,0,0|2,0,0]=3 1475 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [1,0,0,0,0,0|2,0,0]=3 1476 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [1,0,0,0,0,0|2,0,0]=3 1477 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [1,0,0,0,0,0|2,0,0]=3 1478 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [1,0,0,0,0,0|2,0,0]=3 1479 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [1,0,0,0,0,0|2,0,0]=3 1480 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [1,0,0,0,0,0|2,0,0]=3 1481 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [1,0,0,0,0,0|2,0,0]=3 1482 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [1,0,0,0,0,0|2,0,0]=3 1483 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [1,0,0,0,0,0|3,0,0]=4 1484 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [1,0,0,0,0,0|3,0,0]=4 1485 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [1,0,0,0,0,0|2,0,0]=3 1486 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [1,0,0,0,0,0|2,0,0]=3 1487 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [1,0,0,0,0,0|3,0,0]=4 1488 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [1,0,0,0,0,0|3,0,0]=4 1489 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [1,0,0,0,0,0|3,0,0]=4 1490 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [1,0,0,0,0,0|3,0,0]=4 1491 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [1,0,0,0,0,0|3,0,0]=4 1492 B12R0.5 C=CCCCCCCCOCC=O 34a_100000730831_200009817547 [1,0,0,0,0,0|1,0,2]=4 1493 B12R0.5 C=CCCCCCCCOCC=O 7a_100000730831_200015260668 [1,0,0,0,0,0|1,0,2]=4 1494 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [1,0,0,0,0,0|3,0,0]=4 1495 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [1,0,0,0,0,0|2,0,0]=3 1496 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [1,0,0,0,0,0|2,0,0]=3 1497 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [1,0,0,0,0,0|2,0,0]=3 1498 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [1,0,0,0,0,0|3,0,0]=4 1499 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [1,0,0,0,0,0|3,0,0]=4 1500 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [1,0,0,0,0,0|3,0,0]=4 1501 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [1,0,0,0,0,0|3,0,0]=4 1502 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [1,0,0,0,0,0|3,0,0]=4 1503 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [1,0,0,0,0,0|3,0,0]=4 1504 B12R0.5 C=CCCCCCCCSCC=O 62a_100012355270_200015260668 [1,0,0,0,0,0|1,0,2]=4 1505 B12R0.5 C=CCCCCCCCSCC=O 62a_200015260668_100012355270 [1,0,0,0,0,0|1,0,2]=4 1506 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [1,0,0,0,0,0|2,0,0]=3 1507 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [1,0,0,0,0,0|2,0,0]=3 1508 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [1,0,0,0,0,0|3,0,0]=4 1509 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [1,0,0,0,0,0|3,0,0]=4 1510 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [1,0,0,0,0,0|3,0,0]=4 1511 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [1,0,0,0,0,0|3,0,0]=4 1512 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [1,0,0,0,0,0|3,0,0]=4 1513 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [1,0,0,0,0,0|3,0,0]=4 1514 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [1,0,0,0,0,0|3,0,0]=4 1515 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [1,0,0,0,0,0|3,0,0]=4 1516 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [1,0,0,0,0,0|2,0,0]=3 1517 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [1,0,0,0,0,0|2,0,0]=3 1518 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [1,0,0,0,0,0|3,0,0]=4 1519 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [1,0,0,0,0,0|3,0,0]=4 1520 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [1,0,0,0,0,0|3,0,0]=4 1521 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [1,0,0,0,0,0|3,0,0]=4 1522 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [1,0,0,0,0,0|3,0,0]=4 1523 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [1,0,0,0,0,0|2,0,0]=3 1524 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [1,0,0,0,0,0|2,0,0]=3 1525 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [1,0,0,0,0,0|2,0,0]=3 1526 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [1,0,0,0,0,0|2,0,0]=3 1527 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [1,0,0,0,0,0|3,0,0]=4 1528 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [1,0,0,0,0,0|3,0,0]=4 1529 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [1,0,0,0,0,0|3,0,0]=4 1530 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [1,0,0,0,0,0|3,0,0]=4 1531 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [1,0,0,0,0,0|3,0,0]=4 1532 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [1,0,0,0,0,0|3,0,0]=4 1533 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [1,0,0,0,0,0|3,0,0]=4 1534 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [1,0,0,0,0,0|3,0,0]=4 1535 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [1,0,0,0,0,0|3,0,0]=4 1536 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [1,0,0,0,0,0|3,0,0]=4 1537 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [1,0,0,0,0,0|3,0,0]=4 1538 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [1,0,0,0,0,0|3,0,0]=4 1539 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [1,0,0,0,0,0|3,0,0]=4 1540 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [1,0,0,0,0,0|3,0,0]=4 1541 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [1,0,0,0,0,0|2,0,0]=3 1542 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [1,0,0,0,0,0|2,0,0]=3 1543 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [1,0,0,0,0,0|3,0,0]=4 1544 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [1,0,0,0,0,0|3,0,0]=4 1545 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [1,0,0,0,0,0|3,0,0]=4 1546 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [1,0,0,0,0,0|3,0,0]=4 1547 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [1,0,0,0,0,0|3,0,0]=4 1548 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [1,0,0,0,0,0|3,0,0]=4 1549 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [1,0,0,0,0,0|3,0,0]=4 1550 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [1,0,0,0,0,0|3,0,0]=4 1551 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [1,0,0,0,0,0|3,0,0]=4 1552 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [1,0,0,0,0,0|3,0,0]=4 1553 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [1,0,0,0,0,0|2,0,0]=3 1554 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [1,0,0,0,0,0|3,0,0]=4 1555 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [1,0,0,0,0,0|3,0,0]=4 1556 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [1,0,0,0,0,0|3,0,0]=4 1557 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [1,0,0,0,0,0|3,0,0]=4 1558 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [1,0,0,0,0,0|3,0,0]=4 1559 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [1,0,0,0,0,0|3,0,0]=4 1560 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [1,0,0,0,0,0|3,0,0]=4 1561 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [1,0,0,0,0,0|1,0,2]=4 1562 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [1,0,0,0,0,0|3,0,0]=4 1563 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [1,0,0,0,0,0|2,0,0]=3 1564 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [1,0,0,0,0,0|2,0,0]=3 1565 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [1,0,0,0,0,0|2,0,0]=3 1566 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [1,0,0,0,0,0|2,0,0]=3 1567 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [1,0,0,0,0,0|3,0,0]=4 1568 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [1,0,0,0,0,0|3,0,0]=4 1569 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [1,0,0,0,0,0|3,0,0]=4 1570 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [1,0,0,0,0,0|3,0,0]=4 1571 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [1,0,0,0,0,0|3,0,0]=4 1572 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [1,0,0,0,0,0|3,0,0]=4 1573 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [1,0,0,0,0,0|3,0,0]=4 1574 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [1,0,0,0,0,0|3,0,0]=4 1575 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [1,0,0,0,0,0|3,0,0]=4 1576 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [1,0,0,0,0,0|3,0,0]=4 1577 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [1,0,0,0,0,0|3,0,0]=4 1578 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [1,0,0,0,0,0|3,0,0]=4 1579 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [1,0,0,0,0,0|3,0,0]=4 1580 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [1,0,0,0,0,0|3,0,0]=4 1581 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [1,0,0,0,0,0|3,0,0]=4 1582 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [1,0,0,0,0,0|3,0,0]=4 1583 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [1,0,0,0,0,0|3,0,0]=4 1584 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [1,0,0,0,0,0|3,0,0]=4 1585 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [1,0,0,0,0,0|3,0,0]=4 1586 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [1,0,0,0,0,0|3,0,0]=4 1587 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [1,0,0,0,0,0|3,0,0]=4 1588 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [1,0,0,0,0,0|3,0,0]=4 1589 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [1,0,0,0,0,0|3,0,0]=4 1590 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [1,0,0,0,0,0|3,0,0]=4 1591 B12R0.5 C=CCCCCCSCCCC=O 62a_100000700193_200011292268 [1,0,0,0,0,0|1,0,2]=4 1592 B12R0.5 C=CCCCCCSCCCC=O 62a_200011292268_100000700193 [1,0,0,0,0,0|1,0,2]=4 1593 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [1,0,0,0,0,0|2,0,0]=3 1594 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [1,0,0,0,0,0|2,0,0]=3 1595 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [1,0,0,0,0,0|3,0,0]=4 1596 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [1,0,0,0,0,0|3,0,0]=4 1597 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [1,0,0,0,0,0|3,0,0]=4 1598 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [1,0,0,0,0,0|3,0,0]=4 1599 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [1,0,0,0,0,0|3,0,0]=4 1600 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [1,0,0,0,0,0|3,0,0]=4 1601 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [1,0,0,0,0,0|3,0,0]=4 1602 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [1,0,0,0,0,0|3,0,0]=4 1603 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [1,0,0,0,0,0|3,0,0]=4 1604 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [1,0,0,0,0,0|3,0,0]=4 1605 B12R0.5 C=CCCCCNCCCCC=O 2230a_100000703577_100000139335 [1,0,0,0,0,0|1,0,2]=4 1606 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [1,0,0,0,0,0|2,0,0]=3 1607 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [1,0,0,0,0,0|2,0,0]=3 1608 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [1,0,0,0,0,0|2,0,0]=3 1609 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [1,0,0,0,0,0|3,0,0]=4 1610 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [1,0,0,0,0,0|3,0,0]=4 1611 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [1,0,0,0,0,0|3,0,0]=4 1612 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [1,0,0,0,0,0|3,0,0]=4 1613 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [1,0,0,0,0,0|3,0,0]=4 1614 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [1,0,0,0,0,0|3,0,0]=4 1615 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [1,0,0,0,0,0|3,0,0]=4 1616 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [1,0,0,0,0,0|3,0,0]=4 1617 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [1,0,0,0,0,0|3,0,0]=4 1618 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [1,0,0,0,0,0|3,0,0]=4 1619 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [1,0,0,0,0,0|3,0,0]=4 1620 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [1,0,0,0,0,0|3,0,0]=4 1621 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [1,0,0,0,0,0|3,0,0]=4 1622 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [1,0,0,0,0,0|3,0,0]=4 1623 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [1,0,0,0,0,0|3,0,0]=4 1624 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [1,0,0,0,0,0|3,0,0]=4 1625 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [1,0,0,0,0,0|3,0,0]=4 1626 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [1,0,0,0,0,0|3,0,0]=4 1627 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [1,0,0,0,0,0|3,0,0]=4 1628 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [1,0,0,0,0,0|1,0,2]=4 1629 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [1,0,0,0,0,0|3,0,0]=4 1630 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [1,0,0,0,0,0|3,0,0]=4 1631 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [1,0,0,0,0,0|2,0,0]=3 1632 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [1,0,0,0,0,0|2,0,0]=3 1633 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [1,0,0,0,0,0|2,0,0]=3 1634 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [1,0,0,0,0,0|2,0,0]=3 1635 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [1,0,0,0,0,0|3,0,0]=4 1636 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [1,0,0,0,0,0|3,0,0]=4 1637 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [1,0,0,0,0,0|3,0,0]=4 1638 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [1,0,0,0,0,0|3,0,0]=4 1639 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [1,0,0,0,0,0|3,0,0]=4 1640 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [1,0,0,0,0,0|3,0,0]=4 1641 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [1,0,0,0,0,0|3,0,0]=4 1642 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [1,0,0,0,0,0|3,0,0]=4 1643 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [1,0,0,0,0,0|3,0,0]=4 1644 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [1,0,0,0,0,0|3,0,0]=4 1645 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [1,0,0,0,0,0|3,0,0]=4 1646 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [1,0,0,0,0,0|3,0,0]=4 1647 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [1,0,0,0,0,0|3,0,0]=4 1648 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [1,0,0,0,0,0|3,0,0]=4 1649 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [1,0,0,0,0,0|3,0,0]=4 1650 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [1,0,0,0,0,0|3,0,0]=4 1651 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [1,0,0,0,0,0|3,0,0]=4 1652 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [1,0,0,0,0,0|3,0,0]=4 1653 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [1,0,0,0,0,0|3,0,0]=4 1654 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [1,0,0,0,0,0|3,0,0]=4 1655 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [1,0,0,0,0,0|3,0,0]=4 1656 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [1,0,0,0,0,0|3,0,0]=4 1657 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [1,0,0,0,0,0|3,0,0]=4 1658 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [1,0,0,0,0,0|3,0,0]=4 1659 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [1,0,0,0,0,0|3,0,0]=4 1660 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [1,0,0,0,0,0|3,0,0]=4 1661 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [1,0,0,0,0,0|3,0,0]=4 1662 B12R0.5 C=CCCCCSCCCCC=O 62a_100000139335_100011215482 [1,0,0,0,0,0|1,0,2]=4 1663 B12R0.5 C=CCCCCSCCCCC=O 62a_100011215482_100000139335 [1,0,0,0,0,0|1,0,2]=4 1664 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [1,0,0,0,0,0|2,0,0]=3 1665 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [1,0,0,0,0,0|2,0,0]=3 1666 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [1,0,0,0,0,0|3,0,0]=4 1667 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [1,0,0,0,0,0|3,0,0]=4 1668 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [1,0,0,0,0,0|3,0,0]=4 1669 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [1,0,0,0,0,0|3,0,0]=4 1670 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [1,0,0,0,0,0|3,0,0]=4 1671 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [1,0,0,0,0,0|3,0,0]=4 1672 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [1,0,0,0,0,0|3,0,0]=4 1673 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [1,0,0,0,0,0|3,0,0]=4 1674 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [1,0,0,0,0,0|3,0,0]=4 1675 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [1,0,0,0,0,0|3,0,0]=4 1676 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [1,0,0,0,0,0|3,0,0]=4 1677 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [1,0,0,0,0,0|3,0,0]=4 1678 B12R0.5 C=CCCCNCCCCCC=O 2230a_100000700776_100000139337 [1,0,0,0,0,0|1,0,2]=4 1679 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [1,0,0,0,0,0|2,0,0]=3 1680 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [1,0,0,0,0,0|2,0,0]=3 1681 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [1,0,0,0,0,0|2,0,0]=3 1682 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [1,0,0,0,0,0|3,0,0]=4 1683 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [1,0,0,0,0,0|3,0,0]=4 1684 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [1,0,0,0,0,0|3,0,0]=4 1685 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [1,0,0,0,0,0|3,0,0]=4 1686 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [1,0,0,0,0,0|3,0,0]=4 1687 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [1,0,0,0,0,0|3,0,0]=4 1688 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [1,0,0,0,0,0|3,0,0]=4 1689 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [1,0,0,0,0,0|3,0,0]=4 1690 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [1,0,0,0,0,0|3,0,0]=4 1691 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [1,0,0,0,0,0|3,0,0]=4 1692 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [1,0,0,0,0,0|3,0,0]=4 1693 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [1,0,0,0,0,0|3,0,0]=4 1694 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [1,0,0,0,0,0|3,0,0]=4 1695 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [1,0,0,0,0,0|1,0,2]=4 1696 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [1,0,0,0,0,0|3,0,0]=4 1697 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [1,0,0,0,0,0|3,0,0]=4 1698 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [1,0,0,0,0,0|2,0,0]=3 1699 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [1,0,0,0,0,0|2,0,0]=3 1700 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [1,0,0,0,0,0|2,0,0]=3 1701 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [1,0,0,0,0,0|2,0,0]=3 1702 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [1,0,0,0,0,0|3,0,0]=4 1703 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [1,0,0,0,0,0|3,0,0]=4 1704 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [1,0,0,0,0,0|3,0,0]=4 1705 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [1,0,0,0,0,0|3,0,0]=4 1706 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [1,0,0,0,0,0|3,0,0]=4 1707 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [1,0,0,0,0,0|3,0,0]=4 1708 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [1,0,0,0,0,0|3,0,0]=4 1709 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [1,0,0,0,0,0|3,0,0]=4 1710 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [1,0,0,0,0,0|3,0,0]=4 1711 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [1,0,0,0,0,0|3,0,0]=4 1712 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [1,0,0,0,0,0|3,0,0]=4 1713 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [1,0,0,0,0,0|3,0,0]=4 1714 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [1,0,0,0,0,0|3,0,0]=4 1715 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [1,0,0,0,0,0|3,0,0]=4 1716 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [1,0,0,0,0,0|3,0,0]=4 1717 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [1,0,0,0,0,0|3,0,0]=4 1718 B12R0.5 C=CCCCSCCCCCC=O 62a_100000139337_100000757094 [1,0,0,0,0,0|1,0,2]=4 1719 B12R0.5 C=CCCCSCCCCCC=O 62a_100011713584_100000139337 [1,0,0,0,0,0|1,0,2]=4 1720 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [1,0,0,0,0,0|2,0,0]=3 1721 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [1,0,0,0,0,0|2,0,0]=3 1722 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [1,0,0,0,0,0|3,0,0]=4 1723 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [1,0,0,0,0,0|3,0,0]=4 1724 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [1,0,0,0,0,0|3,0,0]=4 1725 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [1,0,0,0,0,0|3,0,0]=4 1726 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [1,0,0,0,0,0|3,0,0]=4 1727 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [1,0,0,0,0,0|3,0,0]=4 1728 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [1,0,0,0,0,0|2,0,0]=3 1729 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [1,0,0,0,0,0|2,0,0]=3 1730 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [1,0,0,0,0,0|2,0,0]=3 1731 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [1,0,0,0,0,0|3,0,0]=4 1732 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [1,0,0,0,0,0|3,0,0]=4 1733 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [1,0,0,0,0,0|3,0,0]=4 1734 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [1,0,0,0,0,0|3,0,0]=4 1735 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [1,0,0,0,0,0|3,0,0]=4 1736 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [1,0,0,0,0,0|3,0,0]=4 1737 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [1,0,0,0,0,0|3,0,0]=4 1738 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [1,0,0,0,0,0|3,0,0]=4 1739 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [1,0,0,0,0,0|2,0,0]=3 1740 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [1,0,0,0,0,0|2,0,0]=3 1741 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [1,0,0,0,0,0|2,0,0]=3 1742 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [1,0,0,0,0,0|3,0,0]=4 1743 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [1,0,0,0,0,0|3,0,0]=4 1744 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [1,0,0,0,0,0|3,0,0]=4 1745 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [1,0,0,0,0,0|3,0,0]=4 1746 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [1,0,0,0,0,0|3,0,0]=4 1747 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [1,0,0,0,0,0|3,0,0]=4 1748 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [1,0,0,0,0,0|3,0,0]=4 1749 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [1,0,0,0,0,0|3,0,0]=4 1750 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [1,0,0,0,0,0|3,0,0]=4 1751 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [1,0,0,0,0,0|3,0,0]=4 1752 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [1,0,0,0,0,0|2,0,0]=3 1753 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [1,0,0,0,0,0|2,0,0]=3 1754 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [1,0,0,0,0,0|3,0,0]=4 1755 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [1,0,0,0,0,0|3,0,0]=4 1756 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [1,0,0,0,0,0|3,0,0]=4 1757 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [1,0,0,0,0,0|3,0,0]=4 1758 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [1,0,0,0,0,0|2,0,0]=3 1759 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [1,0,0,0,0,0|2,0,0]=3 1760 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [1,0,0,0,0,0|2,0,0]=3 1761 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [1,0,0,0,0,0|3,0,0]=4 1762 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [1,0,0,0,0,0|3,0,0]=4 1763 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [1,0,0,0,0,0|3,0,0]=4 1764 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [1,0,0,0,0,0|3,0,0]=4 1765 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [1,0,0,0,0,0|3,0,0]=4 1766 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [1,0,0,0,0,0|2,0,0]=3 1767 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [1,0,0,0,0,0|2,0,0]=3 1768 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [1,0,0,0,0,0|2,0,0]=3 1769 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [1,0,0,0,0,0|3,0,0]=4 1770 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [1,0,0,0,0,0|3,0,0]=4 1771 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [1,0,0,0,0,0|3,0,0]=4 1772 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [1,0,0,0,0,0|3,0,0]=4 1773 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [1,0,0,0,0,0|3,0,0]=4 1774 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [1,0,0,0,0,0|3,0,0]=4 1775 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [1,0,0,0,0,0|3,0,0]=4 1776 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [1,0,0,0,0,0|3,0,0]=4 1777 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [1,0,0,0,0,0|3,0,0]=4 1778 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [1,0,0,0,0,0|3,0,0]=4 1779 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [1,0,0,0,0,0|3,0,0]=4 1780 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [1,0,0,0,0,0|2,0,0]=3 1781 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [1,0,0,0,0,0|3,0,0]=4 1782 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [1,0,0,0,0,0|3,0,0]=4 1783 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [1,0,0,0,0,0|3,0,0]=4 1784 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [1,0,0,0,0,0|3,0,0]=4 1785 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [1,0,0,0,0,0|3,0,0]=4 1786 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [1,0,0,0,0,0|3,0,0]=4 1787 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [1,0,0,0,0,0|3,0,0]=4 1788 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [1,0,0,0,0,0|3,0,0]=4 1789 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [1,0,0,0,0,0|3,0,0]=4 1790 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [1,0,0,0,0,0|3,0,0]=4 1791 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [1,0,0,0,0,0|3,0,0]=4 1792 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [1,0,0,0,0,0|3,0,0]=4 1793 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [1,0,0,0,0,0|1,0,2]=4 1794 B12R0.5 CC/C=C\CCCCCOCC=O 34a_100016268722_200009817547 [1,0,0,0,0,0|1,0,2]=4 1795 B12R0.5 CC/C=C\CCCCCOCC=O 7a_100016268722_200015260668 [1,0,0,0,0,0|1,0,2]=4 1796 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [1,0,0,0,0,0|1,0,2]=4 1797 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100000139335_100015370543 [1,0,0,0,0,0|1,0,2]=4 1798 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100015370543_100000139335 [1,0,0,0,0,0|1,0,2]=4 1799 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100000139337_100103147603 [1,0,0,0,0,0|1,0,2]=4 1800 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100103147603_100000139337 [1,0,0,0,0,0|1,0,2]=4 1801 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [1,0,0,0,0,0|2,0,1]=4 1802 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [1,0,0,0,0,0|2,0,1]=4 1803 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [1,0,0,0,0,0|2,0,1]=4 1804 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [1,0,0,0,0,0|2,0,1]=4 1805 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [1,0,0,0,0,0|2,0,1]=4 1806 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [1,0,0,0,0,0|2,0,1]=4 1807 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [1,0,0,0,0,0|2,0,1]=4 1808 B12R0.5 CCC#CCCOCCCCC=O 7a_100000036655_100000139335 [1,0,0,0,0,0|1,0,2]=4 1809 B12R0.5 CCC#CCSCCCCCC=O 62a_100000139337_100009813939 [1,0,0,0,0,0|1,0,2]=4 1810 B12R0.5 CCC#CCSCCCCCC=O 62a_100009813939_100000139337 [1,0,0,0,0,0|1,0,2]=4 1811 B12R0.5 CCC/C=C/COCCCCC=O 7a_100016278788_100000139335 [1,0,0,0,0,0|1,0,2]=4 1812 B12R0.5 CCCC#CCCOCCCC=O 7a_100000042726_200011292268 [1,0,0,0,0,0|1,0,2]=4 1813 B12R0.5 CCCC#CCOCCCCC=O 7a_100000034806_100000139335 [1,0,0,0,0,0|1,0,2]=4 1814 B12R0.5 CCCC/C=C/COCCCC=O 7a_200016272032_200011292268 [1,0,0,0,0,0|1,0,2]=4 1815 B12R0.5 CCCCC#CCCCSCC=O 62a_200000047210_200015260668 [1,0,0,0,0,0|1,0,2]=4 1816 B12R0.5 CCCCC#CCCCSCC=O 62a_200015260668_200000047210 [1,0,0,0,0,0|1,0,2]=4 1817 B12R0.5 CCCCC#CCOCCCC=O 7a_200000034558_200011292268 [1,0,0,0,0,0|1,0,2]=4 1818 B12R0.5 CCCCC/C=C\CCOCC=O 34a_100016277358_200009817547 [1,0,0,0,0,0|1,0,2]=4 1819 B12R0.5 CCCCC/C=C\CCOCC=O 7a_100016277358_200015260668 [1,0,0,0,0,0|1,0,2]=4 1820 B12R0.5 CCCCCC#CCCOCC=O 34a_200000042877_200009817547 [1,0,0,0,0,0|1,0,2]=4 1821 B12R0.5 CCCCCC#CCCOCC=O 7a_200000042877_200015260668 [1,0,0,0,0,0|1,0,2]=4 1822 B12R0.5 CCCCCC/C=C/COCC=O 34a_200016276170_200009817547 [1,0,0,0,0,0|1,0,2]=4 1823 B12R0.5 CCCCCC/C=C/COCC=O 7a_200016276170_200015260668 [1,0,0,0,0,0|1,0,2]=4 1824 B12R0.5 CCCCCCC#CCOCC=O 34a_200000037284_200009817547 [1,0,0,0,0,0|1,0,2]=4 1825 B12R0.5 CCCCCCC#CCOCC=O 7a_200000037284_200015260668 [1,0,0,0,0,0|1,0,2]=4 1826 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [1,0,0,0,0,0|2,0,0]=3 1827 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [1,0,0,0,0,0|2,0,0]=3 1828 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [1,0,0,0,0,0|2,0,0]=3 1829 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [1,0,0,0,0,0|2,0,0]=3 1830 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [1,0,0,0,0,0|2,0,0]=3 1831 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [1,0,0,0,0,0|2,0,0]=3 1832 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [1,0,0,0,0,0|2,0,0]=3 1833 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [1,0,0,0,0,0|2,0,0]=3 1834 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [1,0,0,0,0,0|2,0,0]=3 1835 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [1,0,0,0,0,0|2,0,0]=3 1836 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [1,0,0,0,0,0|2,0,0]=3 1837 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [1,0,0,0,0,0|2,0,0]=3 1838 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [1,0,0,0,0,0|2,0,0]=3 1839 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [1,0,0,0,0,0|2,0,0]=3 1840 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [1,0,0,0,0,0|2,0,1]=4 1841 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [1,0,0,0,0,0|2,0,1]=4 1842 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [1,0,0,0,0,0|2,0,1]=4 1843 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [1,0,0,0,0,0|2,0,1]=4 1844 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [1,0,0,0,0,0|2,0,1]=4 1845 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [1,0,0,0,0,0|2,0,1]=4 1846 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [1,0,0,0,0,0|2,0,1]=4 1847 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [1,0,0,0,0,0|2,0,1]=4 1848 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [1,0,0,0,0,0|2,0,1]=4 1849 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [1,0,0,0,0,0|2,0,1]=4 1850 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [1,0,0,0,0,0|2,0,1]=4 1851 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [1,0,0,0,0,0|2,0,1]=4 1852 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [1,0,0,0,0,0|1,0,0]=2 1853 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [1,0,0,0,0,0|1,0,0]=2 1854 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [1,0,0,0,0,0|2,0,1]=4 1855 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [1,0,0,0,0,0|2,0,1]=4 1856 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [1,0,0,0,0,0|2,0,1]=4 1857 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [1,0,0,0,0,0|2,0,1]=4 1858 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [1,0,0,0,0,0|2,0,1]=4 1859 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [1,0,0,0,0,0|1,0,1]=3 1860 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [1,0,0,0,0,0|1,0,1]=3 1861 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [1,0,0,0,0,0|1,0,1]=3 1862 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [1,0,0,0,0,0|1,0,1]=3 1863 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [1,0,0,0,0,0|3,0,0]=4 1864 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [1,0,0,0,0,0|3,0,0]=4 1865 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [1,0,0,0,0,0|3,0,0]=4 1866 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [1,0,0,0,0,0|2,0,1]=4 1867 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [1,0,0,0,0,0|1,0,0]=2 1868 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [1,0,0,0,0,0|1,0,0]=2 1869 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [1,0,0,0,0,0|2,0,1]=4 1870 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [1,0,0,0,0,0|2,0,1]=4 1871 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [1,0,0,0,0,0|2,0,1]=4 1872 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [1,0,0,0,0,0|2,0,1]=4 1873 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [1,0,0,0,0,0|2,0,1]=4 1874 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [1,0,0,0,0,0|2,0,1]=4 1875 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [1,0,0,0,0,0|2,0,1]=4 1876 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [1,0,0,0,0,0|1,0,1]=3 1877 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [1,0,0,0,0,0|1,0,1]=3 1878 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [1,0,0,0,0,0|3,0,0]=4 1879 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [1,0,0,0,0,0|2,0,1]=4 1880 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [1,0,0,0,0,0|1,0,0]=2 1881 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [1,0,0,0,0,0|2,0,1]=4 1882 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [1,0,0,0,0,0|2,0,1]=4 1883 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [1,0,0,0,0,0|1,0,1]=3 1884 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [1,0,0,0,0,0|3,0,0]=4 1885 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [1,0,0,0,0,0|3,0,0]=4 1886 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [1,0,0,0,0,0|2,0,1]=4 1887 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [1,0,0,0,0,0|2,0,1]=4 1888 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [1,0,0,0,0,0|2,0,1]=4 1889 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [1,0,0,0,0,0|2,0,1]=4 1890 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [1,0,0,0,0,0|2,0,1]=4 1891 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [1,0,0,0,0,0|2,0,1]=4 1892 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [1,0,0,0,0,0|2,0,1]=4 1893 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [1,0,0,0,0,0|2,0,1]=4 1894 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [1,0,0,0,0,0|2,0,1]=4 1895 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [1,0,0,0,0,0|1,0,1]=3 1896 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [1,0,0,0,0,0|1,0,1]=3 1897 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [1,0,0,0,0,0|3,0,0]=4 1898 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [1,0,0,0,0,0|3,0,0]=4 1899 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [1,0,0,0,0,0|3,0,0]=4 1900 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [1,0,0,0,0,0|3,0,0]=4 1901 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [1,0,0,0,0,0|3,0,0]=4 1902 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [1,0,0,0,0,0|3,0,0]=4 1903 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [1,0,0,0,0,0|2,0,1]=4 1904 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [1,0,0,0,0,0|2,0,1]=4 1905 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [1,0,0,0,0,0|2,0,1]=4 1906 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [1,0,0,0,0,0|2,0,1]=4 1907 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [1,0,0,0,0,0|2,0,1]=4 1908 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [1,0,0,0,0,0|2,0,1]=4 1909 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [1,0,0,0,0,0|2,0,1]=4 1910 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [1,0,0,0,0,0|2,0,1]=4 1911 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [1,0,0,0,0,0|2,0,1]=4 1912 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [1,0,0,0,0,0|2,0,1]=4 1913 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [1,0,0,0,0,0|2,0,1]=4 1914 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [1,0,0,0,0,0|1,0,1]=3 1915 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [1,0,0,0,0,0|1,0,1]=3 1916 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [1,0,0,0,0,0|3,0,0]=4 1917 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [1,0,0,0,0,0|3,0,0]=4 1918 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [1,0,0,0,0,0|3,0,0]=4 1919 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [1,0,0,0,0,0|3,0,0]=4 1920 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [1,0,0,0,0,0|3,0,0]=4 1921 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [1,0,0,0,0,0|3,0,0]=4 1922 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [1,0,0,0,0,0|3,0,0]=4 1923 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [1,0,0,0,0,0|3,0,0]=4 1924 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [1,0,0,0,0,0|2,0,1]=4 1925 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [1,0,0,0,0,0|2,0,1]=4 1926 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [1,0,0,0,0,0|2,0,1]=4 1927 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [1,0,0,0,0,0|2,0,1]=4 1928 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [1,0,0,0,0,0|2,0,1]=4 1929 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [1,0,0,0,0,0|2,0,1]=4 1930 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [1,0,0,0,0,0|1,0,1]=3 1931 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [1,0,0,0,0,0|1,0,1]=3 1932 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [1,0,0,0,0,0|3,0,0]=4 1933 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [1,0,0,0,0,0|3,0,0]=4 1934 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [1,0,0,0,0,0|3,0,0]=4 1935 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [1,0,0,0,0,0|3,0,0]=4 1936 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [1,0,0,0,0,0|2,0,1]=4 1937 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [1,0,0,0,0,0|1,0,0]=2 1938 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [1,0,0,0,0,0|2,0,1]=4 1939 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [1,0,0,0,0,0|2,0,1]=4 1940 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [1,0,0,0,0,0|2,0,1]=4 1941 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [1,0,0,0,0,0|1,0,1]=3 1942 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [1,0,0,0,0,0|1,0,1]=3 1943 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [1,0,0,0,0,0|1,0,1]=3 1944 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [1,0,0,0,0,0|3,0,0]=4 1945 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [1,0,0,0,0,0|3,0,0]=4 1946 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [1,0,0,0,0,0|3,0,0]=4 1947 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [1,0,0,0,0,0|2,0,1]=4 1948 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [1,0,0,0,0,0|1,0,0]=2 1949 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [1,0,0,0,0,0|2,0,1]=4 1950 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1951 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [1,0,0,0,0,0|2,0,1]=4 1952 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1953 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [1,0,0,0,0,0|2,0,1]=4 1954 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [1,0,0,0,0,0|2,0,1]=4 1955 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [1,0,0,0,0,0|2,0,1]=4 1956 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [1,0,0,0,0,0|2,0,1]=4 1957 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [1,0,0,0,0,0|2,0,1]=4 1958 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [1,0,0,0,0,0|2,0,1]=4 1959 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [1,0,0,0,0,0|2,0,1]=4 1960 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [1,0,0,0,0,0|2,0,1]=4 1961 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [1,0,0,0,0,0|2,0,1]=4 1962 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [1,0,0,0,0,0|1,0,1]=3 1963 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [1,0,0,0,0,0|1,0,1]=3 1964 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [1,0,0,0,0,0|3,0,0]=4 1965 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [1,0,0,0,0,0|3,0,0]=4 1966 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [1,0,0,0,0,0|3,0,0]=4 1967 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [1,0,0,0,0,0|3,0,0]=4 1968 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [1,0,0,0,0,0|3,0,0]=4 1969 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [1,0,0,0,0,0|3,0,0]=4 1970 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [1,0,0,0,0,0|2,0,1]=4 1971 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [1,0,0,0,0,0|2,0,1]=4 1972 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [1,0,0,0,0,0|1,0,0]=2 1973 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [1,0,0,0,0,0|1,0,0]=2 1974 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [1,0,0,0,0,0|2,0,1]=4 1975 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [1,0,0,0,0,0|2,0,1]=4 1976 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [1,0,0,0,0,0|2,0,1]=4 1977 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [1,0,0,0,0,0|2,0,1]=4 1978 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [1,0,0,0,0,0|1,0,1]=3 1979 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [1,0,0,0,0,0|1,0,1]=3 1980 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [1,0,0,0,0,0|3,0,0]=4 1981 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [1,0,0,0,0,0|3,0,0]=4 1982 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [1,0,0,0,0,0|2,0,1]=4 1983 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [1,0,0,0,0,0|1,0,0]=2 1984 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [1,0,0,0,0,0|2,0,1]=4 1985 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [1,0,0,0,0,0|2,0,1]=4 1986 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [1,0,0,0,0,0|1,0,1]=3 1987 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [1,0,0,0,0,0|1,0,1]=3 1988 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [1,0,0,0,0,0|1,0,1]=3 1989 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [1,0,0,0,0,0|3,0,0]=4 1990 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [1,0,0,0,0,0|2,0,1]=4 1991 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [1,0,0,0,0,0|2,0,1]=4 1992 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [1,0,0,0,0,0|2,0,1]=4 1993 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [1,0,0,0,0,0|2,0,1]=4 1994 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [1,0,0,0,0,0|2,0,1]=4 1995 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [1,0,0,0,0,0|1,0,0]=2 1996 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [1,0,0,0,0,0|2,0,1]=4 1997 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [1,0,0,0,0,0|2,0,1]=4 1998 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [1,0,0,0,0,0|2,0,1]=4 1999 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [1,0,0,0,0,0|2,0,1]=4 2000 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [1,0,0,0,0,0|2,0,1]=4 2001 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [1,0,0,0,0,0|2,0,1]=4 2002 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [1,0,0,0,0,0|2,0,1]=4 2003 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [1,0,0,0,0,0|2,0,1]=4 2004 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [1,0,0,0,0,0|2,0,1]=4 2005 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [1,0,0,0,0,0|2,0,1]=4 2006 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [1,0,0,0,0,0|2,0,1]=4 2007 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [1,0,0,0,0,0|1,0,1]=3 2008 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [1,0,0,0,0,0|1,0,1]=3 2009 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [1,0,0,0,0,0|3,0,0]=4 2010 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [1,0,0,0,0,0|3,0,0]=4 2011 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [1,0,0,0,0,0|3,0,0]=4 2012 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [1,0,0,0,0,0|3,0,0]=4 2013 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [1,0,0,0,0,0|3,0,0]=4 2014 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [1,0,0,0,0,0|2,0,0]=3 2015 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [1,0,0,0,0,0|2,0,0]=3 2016 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [1,0,0,0,0,0|2,0,1]=4 2017 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [1,0,0,0,0,0|2,0,1]=4 2018 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [1,0,0,0,0,0|2,0,1]=4 2019 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [1,0,0,0,0,0|2,0,1]=4 2020 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [1,0,0,0,0,0|2,0,1]=4 2021 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [1,0,0,0,0,0|2,0,1]=4 2022 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [1,0,0,0,0,0|1,0,0]=2 2023 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [1,0,0,0,0,0|1,0,0]=2 2024 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [1,0,0,0,0,0|2,0,1]=4 2025 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [1,0,0,0,0,0|2,0,1]=4 2026 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [1,0,0,0,0,0|2,0,1]=4 2027 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [1,0,0,0,0,0|1,0,1]=3 2028 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [1,0,0,0,0,0|1,0,1]=3 2029 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [1,0,0,0,0,0|3,0,0]=4 2030 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [1,0,0,0,0,0|3,0,0]=4 2031 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [1,0,0,0,0,0|2,0,1]=4 2032 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [1,0,0,0,0,0|2,0,1]=4 2033 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [1,0,0,0,0,0|2,0,1]=4 2034 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [1,0,0,0,0,0|1,0,0]=2 2035 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [1,0,0,0,0,0|2,0,1]=4 2036 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [1,0,0,0,0,0|1,0,1]=3 2037 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [1,0,0,0,0,0|1,0,1]=3 2038 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [1,0,0,0,0,0|1,0,1]=3 2039 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [1,0,0,0,0,0|3,0,0]=4 2040 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [1,0,0,0,0,0|3,0,0]=4 2041 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [1,0,0,0,0,0|2,0,1]=4 2042 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [1,0,0,0,0,0|2,0,1]=4 2043 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [1,0,0,0,0,0|1,0,0]=2 2044 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [1,0,0,0,0,0|2,0,1]=4 2045 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [1,0,0,0,0,0|2,0,1]=4 2046 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [1,0,0,0,0,0|2,0,1]=4 2047 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [1,0,0,0,0,0|2,0,1]=4 2048 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [1,0,0,0,0,0|2,0,1]=4 2049 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [1,0,0,0,0,0|2,0,1]=4 2050 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [1,0,0,0,0,0|2,0,1]=4 2051 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [1,0,0,0,0,0|2,0,1]=4 2052 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [1,0,0,0,0,0|2,0,1]=4 2053 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [1,0,0,0,0,0|1,0,1]=3 2054 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [1,0,0,0,0,0|1,0,1]=3 2055 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [1,0,0,0,0,0|3,0,0]=4 2056 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [1,0,0,0,0,0|2,0,1]=4 2057 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [1,0,0,0,0,0|2,0,1]=4 2058 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [1,0,0,0,0,0|2,0,1]=4 2059 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [1,0,0,0,0,0|2,0,1]=4 2060 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [1,0,0,0,0,0|1,0,0]=2 2061 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [1,0,0,0,0,0|1,0,0]=2 2062 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [1,0,0,0,0,0|2,0,1]=4 2063 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [1,0,0,0,0,0|2,0,1]=4 2064 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [1,0,0,0,0,0|1,0,1]=3 2065 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [1,0,0,0,0,0|1,0,1]=3 2066 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [1,0,0,0,0,0|2,0,1]=4 2067 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [1,0,0,0,0,0|2,0,1]=4 2068 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [1,0,0,0,0,0|1,0,1]=3 2069 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [1,0,0,0,0,0|1,0,1]=3 2070 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [1,0,0,0,0,0|1,0,1]=3 2071 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [1,0,0,0,0,0|1,0,1]=3 2072 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [1,0,0,0,0,0|3,0,0]=4 2073 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [1,0,0,0,0,0|3,0,0]=4 2074 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [1,0,0,0,0,0|2,0,0]=3 2075 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [1,0,0,0,0,0|2,0,1]=4 2076 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [1,0,0,0,0,0|2,0,1]=4 2077 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [1,0,0,0,0,0|2,0,1]=4 2078 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [1,0,0,0,0,0|2,0,1]=4 2079 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [1,0,0,0,0,0|2,0,1]=4 2080 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [1,0,0,0,0,0|2,0,1]=4 2081 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [1,0,0,0,0,0|2,0,1]=4 2082 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [1,0,0,0,0,0|1,0,1]=3 2083 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [1,0,0,0,0,0|1,0,1]=3 2084 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [1,0,0,0,0,0|3,0,0]=4 2085 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [1,0,0,0,0,0|3,0,0]=4 2086 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [1,0,0,0,0,0|3,0,0]=4 2087 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [1,0,0,0,0,0|3,0,0]=4 2088 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [1,0,0,0,0,0|2,0,0]=3 2089 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [1,0,0,0,0,0|2,0,0]=3 2090 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [1,0,0,0,0,0|2,0,1]=4 2091 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [1,0,0,0,0,0|2,0,1]=4 2092 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [1,0,0,0,0,0|2,0,1]=4 2093 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [1,0,0,0,0,0|2,0,1]=4 2094 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [1,0,0,0,0,0|2,0,1]=4 2095 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [1,0,0,0,0,0|2,0,1]=4 2096 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [1,0,0,0,0,0|2,0,1]=4 2097 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [1,0,0,0,0,0|2,0,1]=4 2098 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [1,0,0,0,0,0|2,0,0]=3 2099 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [1,0,0,0,0,0|2,0,1]=4 2100 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [1,0,0,0,0,0|2,0,1]=4 2101 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [1,0,0,0,0,0|2,0,0]=3 2102 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [1,0,0,0,0,0|2,0,0]=3 2103 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [1,0,0,0,0,0|2,0,1]=4 2104 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [1,0,0,0,0,0|2,0,1]=4 2105 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [1,0,0,0,0,0|2,0,1]=4 2106 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [1,0,0,0,0,0|2,0,1]=4 2107 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [1,0,0,0,0,0|2,0,0]=3 2108 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [1,0,0,0,0,0|2,0,0]=3 2109 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [1,0,0,0,0,0|2,0,1]=4 2110 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [1,0,0,0,0,0|2,0,1]=4 2111 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [1,0,0,0,0,0|2,0,1]=4 2112 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [1,0,0,0,0,0|2,0,1]=4 2113 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [1,0,0,0,0,0|1,0,1]=3 2114 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [1,0,0,0,0,0|1,0,1]=3 2115 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [1,0,0,0,0,0|3,0,0]=4 2116 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [1,0,0,0,0,0|3,0,0]=4 2117 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [1,0,0,0,0,0|2,0,0]=3 2118 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [1,0,0,0,0,0|2,0,1]=4 2119 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [1,0,0,0,0,0|2,0,0]=3 2120 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [1,0,0,0,0,0|2,0,1]=4 2121 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [1,0,0,0,0,0|2,0,1]=4 2122 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [1,0,0,0,0,0|1,0,1]=3 2123 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [1,0,0,0,0,0|1,0,1]=3 2124 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [1,0,0,0,0,0|2,0,1]=4 2125 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [1,0,0,0,0,0|2,0,1]=4 2126 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [1,0,0,0,0,0|2,0,1]=4 2127 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [1,0,0,0,0,0|2,0,1]=4 2128 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [1,0,0,0,0,0|2,0,1]=4 2129 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [1,0,0,0,0,0|1,0,1]=3 2130 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [1,0,0,0,0,0|2,0,0]=3 2131 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [1,0,0,0,0,0|2,0,1]=4 2132 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [1,0,0,0,0,0|2,0,1]=4 2133 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [1,0,0,0,0,0|2,0,0]=3 2134 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [1,0,0,0,0,0|2,0,1]=4 2135 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [1,0,0,0,0,0|2,0,1]=4 2136 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [1,0,0,0,0,0|2,0,1]=4 2137 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [1,0,0,0,0,0|2,0,1]=4 2138 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [1,0,0,0,0,0|2,0,0]=3 2139 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [1,0,0,0,0,0|2,0,1]=4 2140 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [1,0,0,0,0,0|2,0,1]=4 2141 B12R0.5 CCCOCCOCCNCC=O 2230a_200011904461_200015260668 [1,0,0,0,0,0|3,0,0]=4 2142 B12R0.5 CCCOCCOCCNCC=O 34a_200011904461_200009817547 [1,0,0,0,0,0|3,0,0]=4 2143 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [1,0,0,0,0,0|2,0,0]=3 2144 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [1,0,0,0,0,0|2,0,0]=3 2145 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [1,0,0,0,0,0|2,0,1]=4 2146 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [1,0,0,0,0,0|2,0,1]=4 2147 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [1,0,0,0,0,0|1,0,1]=3 2148 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [1,0,0,0,0,0|1,0,1]=3 2149 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [1,0,0,0,0,0|2,0,0]=3 2150 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [1,0,0,0,0,0|2,0,1]=4 2151 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [1,0,0,0,0,0|2,0,0]=3 2152 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [1,0,0,0,0,0|2,0,1]=4 2153 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [1,0,0,0,0,0|2,0,1]=4 2154 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [1,0,0,0,0,0|1,0,1]=3 2155 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [1,0,0,0,0,0|1,0,1]=3 2156 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [1,0,0,0,0,0|1,0,1]=3 2157 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [1,0,0,0,0,0|2,0,1]=4 2158 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [1,0,0,0,0,0|2,0,1]=4 2159 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [1,0,0,0,0,0|2,0,1]=4 2160 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [1,0,0,0,0,0|2,0,1]=4 2161 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [1,0,0,0,0,0|2,0,1]=4 2162 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [1,0,0,0,0,0|1,0,1]=3 2163 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [1,0,0,0,0,0|2,0,0]=3 2164 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [1,0,0,0,0,0|2,0,1]=4 2165 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [1,0,0,0,0,0|2,0,1]=4 2166 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [1,0,0,0,0,0|2,0,1]=4 2167 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [1,0,0,0,0,0|2,0,1]=4 2168 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [1,0,0,0,0,0|2,0,0]=3 2169 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [1,0,0,0,0,0|2,0,1]=4 2170 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [1,0,0,0,0,0|2,0,1]=4 2171 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [1,0,0,0,0,0|2,0,0]=3 2172 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [1,0,0,0,0,0|2,0,0]=3 2173 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [1,0,0,0,0,0|2,0,1]=4 2174 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [1,0,0,0,0,0|2,0,1]=4 2175 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [1,0,0,0,0,0|2,0,0]=3 2176 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [1,0,0,0,0,0|2,0,1]=4 2177 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [1,0,0,0,0,0|2,0,1]=4 2178 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [1,0,0,0,0,0|2,0,1]=4 2179 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [1,0,0,0,0,0|2,0,1]=4 2180 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [1,0,0,0,0,0|2,0,0]=3 2181 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [1,0,0,0,0,0|2,0,1]=4 2182 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [1,0,0,0,0,0|2,0,1]=4 2183 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [1,0,0,0,0,0|2,0,0]=3 2184 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [1,0,0,0,0,0|2,0,0]=3 2185 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [1,0,0,0,0,0|2,0,1]=4 2186 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [1,0,0,0,0,0|2,0,1]=4 2187 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [1,0,0,0,0,0|2,0,1]=4 2188 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [1,0,0,0,0,0|2,0,1]=4 2189 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [1,0,0,0,0,0|1,0,1]=3 2190 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [1,0,0,0,0,0|1,0,1]=3 2191 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [1,0,0,0,0,0|2,0,0]=3 2192 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [1,0,0,0,0,0|2,0,1]=4 2193 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [1,0,0,0,0,0|2,0,1]=4 2194 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [1,0,0,0,0,0|2,0,0]=3 2195 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [1,0,0,0,0,0|2,0,1]=4 2196 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [1,0,0,0,0,0|2,0,1]=4 2197 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [1,0,0,0,0,0|2,0,1]=4 2198 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [1,0,0,0,0,0|2,0,0]=3 2199 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [1,0,0,0,0,0|2,0,1]=4 2200 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [1,0,0,0,0,0|2,0,1]=4 2201 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [1,0,0,0,0,0|2,0,0]=3 2202 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [1,0,0,0,0,0|2,0,0]=3 2203 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [1,0,0,0,0,0|2,0,1]=4 2204 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [1,0,0,0,0,0|2,0,1]=4 2205 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [1,0,0,0,0,0|1,0,1]=3 2206 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [1,0,0,0,0,0|1,0,1]=3 2207 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [1,0,0,0,0,0|1,0,1]=3 2208 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [1,0,0,0,0,0|1,0,1]=3 2209 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [1,0,0,0,0,0|1,0,1]=3 2210 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [1,0,0,0,0,0|2,0,1]=4 2211 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [1,0,0,0,0,0|2,0,1]=4 2212 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [1,0,0,0,0,0|2,0,1]=4 2213 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [1,0,0,0,0,0|2,0,1]=4 2214 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [1,0,0,0,0,0|2,0,1]=4 2215 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [1,0,0,0,0,0|2,0,1]=4 2216 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [1,0,0,0,0,0|2,0,1]=4 2217 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [1,0,0,0,0,0|1,0,1]=3 2218 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [1,0,0,0,0,0|2,0,1]=4 2219 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [1,0,0,0,0,0|2,0,1]=4 2220 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [1,0,0,0,0,0|2,0,1]=4 2221 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [1,0,0,0,0,0|2,0,1]=4 2222 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [1,0,0,0,0,0|2,0,0]=3 2223 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [1,0,0,0,0,0|2,0,1]=4 2224 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [1,0,0,0,0,0|2,0,1]=4 2225 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [1,0,0,0,0,0|2,0,1]=4 2226 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [1,0,0,0,0,0|2,0,1]=4 2227 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [1,0,0,0,0,0|2,0,1]=4 2228 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [1,0,0,0,0,0|2,0,0]=3 2229 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [1,0,0,0,0,0|2,0,0]=3 2230 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [1,0,0,0,0,0|2,0,1]=4 2231 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [1,0,0,0,0,0|2,0,1]=4 2232 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [1,0,0,0,0,0|2,0,1]=4 2233 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [1,0,0,0,0,0|2,0,1]=4 2234 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [1,0,0,0,0,0|2,0,1]=4 2235 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [1,0,0,0,0,0|2,0,1]=4 2236 B12R0.5 COCCCOCCCOCC=O 34a_200011215475_200009817547 [1,0,0,0,0,0|3,0,0]=4 2237 B12R0.5 COCCCOCCCOCC=O 7a_200011215475_200015260668 [1,0,0,0,0,0|3,0,0]=4 2238 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [1,0,0,0,0,0|2,0,0]=3 2239 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [1,0,0,0,0,0|2,0,0]=3 2240 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [1,0,0,0,0,0|2,0,1]=4 2241 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [1,0,0,0,0,0|2,0,1]=4 2242 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [1,0,0,0,0,0|2,0,1]=4 2243 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [1,0,0,0,0,0|2,0,1]=4 2244 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [1,0,0,0,0,0|2,0,1]=4 2245 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [1,0,0,0,0,0|2,0,1]=4 2246 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [1,0,0,0,0,0|3,0,0]=4 2247 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [1,0,0,0,0,0|3,0,0]=4 2248 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [1,0,0,0,0,0|3,0,0]=4 2249 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [1,0,0,0,0,0|3,0,0]=4 2250 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [1,0,0,0,0,0|3,0,0]=4 2251 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [1,0,0,0,0,0|3,0,0]=4 2252 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [1,0,0,0,0,0|2,0,1]=4 2253 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [1,0,0,0,0,0|2,0,1]=4 2254 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [1,0,0,0,0,0|2,0,1]=4 2255 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [1,0,0,0,0,0|2,0,1]=4 2256 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [1,0,0,0,0,0|2,0,1]=4 2257 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [1,0,0,0,0,0|1,0,1]=3 2258 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [1,0,0,0,0,0|1,0,1]=3 2259 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [1,0,0,0,0,0|2,0,0]=3 2260 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [1,0,0,0,0,0|2,0,1]=4 2261 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [1,0,0,0,0,0|2,0,1]=4 2262 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [1,0,0,0,0,0|2,0,0]=3 2263 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [1,0,0,0,0,0|2,0,1]=4 2264 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [1,0,0,0,0,0|2,0,0]=3 2265 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [1,0,0,0,0,0|2,0,1]=4 2266 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [1,0,0,0,0,0|2,0,1]=4 2267 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [1,0,0,0,0,0|2,0,1]=4 2268 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [1,0,0,0,0,0|2,0,1]=4 2269 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [1,0,0,0,0,0|2,0,1]=4 2270 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [1,0,0,0,0,0|2,0,1]=4 2271 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [1,0,0,0,0,0|2,0,1]=4 2272 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [1,0,0,0,0,0|2,0,1]=4 2273 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [1,0,0,0,0,0|2,0,1]=4 2274 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [1,0,0,0,0,0|2,0,1]=4 2275 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [1,0,0,0,0,0|2,0,1]=4 2276 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [1,0,0,0,0,0|2,0,1]=4 2277 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [1,0,0,0,0,0|2,0,1]=4 2278 B12R0.5 N#CCCCCCSCCCC=O 62a_100009813376_200011292268 [1,0,0,0,0,0|2,0,1]=4 2279 B12R0.5 N#CCCCCCSCCCC=O 62a_200011292268_100009813376 [1,0,0,0,0,0|2,0,1]=4 2280 B12R0.5 N#CCCCCSCCCCC=O 62a_100000139335_100000211819 [1,0,0,0,0,0|2,0,1]=4 2281 B12R0.5 N#CCCCCSCCCCC=O 62a_100011219923_100000139335 [1,0,0,0,0,0|2,0,1]=4 2282 B12R0.5 N#CCCCSCCCCCC=O 62a_100000139337_100000687738 [1,0,0,0,0,0|2,0,1]=4 2283 B12R0.5 N#CCCCSCCCCCC=O 62a_100000687738_100000139337 [1,0,0,0,0,0|2,0,1]=4 2284 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [1,0,0,0,0,0|2,0,0]=3 2285 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [1,0,0,0,0,0|2,0,1]=4 2286 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [1,0,0,0,0,0|2,0,1]=4 2287 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [1,0,0,0,0,0|2,0,1]=4 2288 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [1,0,0,0,0,0|2,0,1]=4 2289 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [1,0,0,0,0,0|2,0,1]=4 2290 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [1,0,0,0,0,0|2,0,1]=4 2291 B12R0.5 NCCNCCCCCOCC=O 34a_103619048469_200009817547 [1,0,0,0,0,0|3,0,0]=4 2292 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [1,0,0,0,0,0|2,0,1]=4 2293 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [1,0,0,0,0,0|2,0,0]=3 2294 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [1,0,0,0,0,0|2,0,0]=3 2295 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [1,0,0,0,0,0|2,0,0]=3 2296 B12R0.5 O=CCCCCCSCCCC=O 62a_100000139337_200011292268 [1,0,0,0,0,0|2,0,1]=4 2297 B12R0.5 O=CCCCCCSCCCC=O 62a_200011292268_100000139337 [1,0,0,0,0,0|2,0,1]=4 2298 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [1,0,0,0,0,0|2,0,0]=3 2299 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [1,0,0,0,0,0|2,0,0]=3 2300 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [1,0,0,0,0,0|2,0,0]=3 2301 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [1,0,0,0,0,0|2,0,0]=3 2302 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [1,0,0,0,0,0|2,0,0]=3 2303 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [1,0,0,0,0,0|3,0,0]=4 2304 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [1,0,0,0,0,0|3,0,0]=4 2305 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [1,0,0,0,0,0|2,0,0]=3 2306 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [1,0,0,0,0,0|2,0,0]=3 2307 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [1,0,0,0,0,0|2,0,0]=3 2308 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [1,0,0,0,0,0|3,0,0]=4 2309 B12R0.5 O=CCCCCOCCOCCCl 7a_100011215305_100000139335 [1,0,0,0,0,0|3,0,0]=4 2310 B12R0.5 O=CCCCCOCCOCCF 7a_200015357709_100000139335 [1,0,0,0,0,0|3,0,0]=4 2311 B12R0.5 O=CCCCCOCCOCCI 7a_100012149058_100000139335 [1,0,0,0,0,0|3,0,0]=4 2312 B12R0.5 O=CCCCCSCCCCC=O 62a_100000139335_100000139335 [1,0,0,0,0,0|2,0,1]=4 2313 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [1,0,0,0,0,0|2,0,0]=3 2314 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [1,0,0,0,0,0|2,0,0]=3 2315 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [1,0,0,0,0,0|2,0,0]=3 2316 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [1,0,0,0,0,0|2,0,0]=3 2317 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [1,0,0,0,0,0|3,0,0]=4 2318 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [1,0,0,0,0,0|3,0,0]=4 2319 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [1,0,0,0,0,0|2,0,0]=3 2320 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [1,0,0,0,0,0|2,0,0]=3 2321 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [1,0,0,0,0,0|2,0,0]=3 2322 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [1,0,0,0,0,0|2,0,0]=3 2323 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [1,0,0,0,0,0|2,0,0]=3 2324 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [1,0,0,0,0,0|2,0,0]=3 2325 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [1,0,0,0,0,0|2,0,0]=3 2326 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [1,0,0,0,0,0|2,0,0]=3 2327 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [1,0,0,0,0,0|2,0,0]=3 2328 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [1,0,0,0,0,0|2,0,0]=3 2329 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [1,0,0,0,0,0|2,0,0]=3 2330 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [1,0,0,0,0,0|2,0,0]=3 2331 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [1,0,0,0,0,0|2,0,0]=3 2332 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [1,0,0,0,0,0|2,0,0]=3 2333 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [1,0,0,0,0,0|2,0,0]=3 2334 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [1,0,0,0,0,0|2,0,0]=3 2335 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [1,0,0,0,0,0|2,0,1]=4 2336 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [1,0,0,0,0,0|2,0,1]=4 2337 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [1,0,0,0,0,0|2,0,1]=4 2338 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [1,0,0,0,0,0|2,0,1]=4 2339 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [1,0,0,0,0,0|2,0,1]=4 2340 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [1,0,0,0,0,0|2,0,1]=4 2341 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [1,0,0,0,0,0|2,0,1]=4 2342 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [1,0,0,0,0,0|2,0,1]=4 2343 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [1,0,0,0,0,0|2,0,1]=4 2344 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [1,0,0,0,0,0|2,0,1]=4 2345 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [1,0,0,0,0,0|2,0,1]=4 2346 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [1,0,0,0,0,0|2,0,1]=4 2347 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [1,0,0,0,0,0|2,0,1]=4 2348 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [1,0,0,0,0,0|2,0,1]=4 2349 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [1,0,0,0,0,0|2,0,1]=4 2350 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [1,0,0,0,0,0|2,0,1]=4 2351 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [1,0,0,0,0,0|2,0,1]=4 2352 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [1,0,0,0,0,0|2,0,1]=4 2353 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [1,0,0,0,0,0|2,0,1]=4 2354 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [1,0,0,0,0,0|2,0,1]=4 2355 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [1,0,0,0,0,0|2,0,1]=4 2356 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [1,0,0,0,0,0|2,0,1]=4 2357 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [1,0,0,0,0,0|2,0,1]=4 2358 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [1,0,0,0,0,0|2,0,1]=4 2359 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [1,0,0,0,0,0|2,0,1]=4 2360 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [1,0,0,0,0,0|2,0,1]=4 2361 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [1,0,0,0,0,0|2,0,1]=4 2362 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [1,0,0,0,0,0|2,0,1]=4 2363 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [1,0,0,0,0,0|2,0,1]=4 2364 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [1,0,0,0,0,0|2,0,1]=4 2365 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [1,0,0,0,0,0|2,0,1]=4 2366 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [1,0,0,0,0,0|2,0,1]=4 2367 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [1,0,0,0,0,0|2,0,1]=4 2368 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [1,0,0,0,0,0|2,0,1]=4 2369 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [1,0,0,0,0,0|2,0,1]=4 2370 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [1,0,0,0,0,0|2,0,1]=4 2371 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [1,0,0,0,0,0|2,0,1]=4 2372 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [1,0,0,0,0,0|2,0,1]=4 2373 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [1,0,0,0,0,0|2,0,1]=4 2374 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [1,0,0,0,0,0|2,0,1]=4 2375 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [1,0,0,0,0,0|2,0,1]=4 2376 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [1,0,0,0,0,0|2,0,1]=4 2377 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [1,0,0,0,0,0|2,0,1]=4 2378 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [1,0,0,0,0,0|2,0,1]=4 2379 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [1,0,0,0,0,0|2,0,1]=4 2380 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [1,0,0,0,0,0|2,0,1]=4 2381 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [1,0,0,0,0,0|2,0,1]=4 2382 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [1,0,0,0,0,0|2,0,1]=4 2383 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [1,0,0,0,0,0|2,0,1]=4 2384 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [1,0,0,0,0,0|2,0,1]=4 2385 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [1,0,0,0,0,0|2,0,1]=4 2386 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [1,0,0,0,0,0|2,0,1]=4 2387 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [1,0,0,0,0,0|2,0,1]=4 2388 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [1,0,0,0,0,0|2,0,1]=4 2389 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [1,0,0,0,0,0|2,0,1]=4 2390 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [1,0,0,0,0,0|2,0,1]=4 2391 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [1,0,0,0,0,0|2,0,1]=4 2392 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [1,0,0,0,0,0|2,0,1]=4 2393 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [1,0,0,0,0,0|2,0,1]=4 2394 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [1,0,0,0,0,0|2,0,1]=4 2395 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [1,0,0,0,0,0|2,0,1]=4 2396 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [1,0,0,0,0,0|2,0,1]=4 2397 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [1,0,0,0,0,0|2,0,1]=4 2398 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [1,0,0,0,0,0|2,0,1]=4 2399 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [1,0,0,0,0,0|2,0,1]=4 2400 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [1,0,0,0,0,0|2,0,1]=4 2401 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [1,0,0,0,0,0|2,0,1]=4 2402 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [1,0,0,0,0,0|2,0,1]=4 2403 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [1,0,0,0,0,0|2,0,1]=4 2404 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [1,0,0,0,0,0|2,0,1]=4 2405 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [1,0,0,0,0,0|2,0,1]=4 2406 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [1,0,0,0,0,0|2,0,1]=4 2407 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [1,0,0,0,0,0|2,0,1]=4 2408 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [1,0,0,0,0,0|1,0,1]=3 2409 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [1,0,0,0,0,0|1,0,1]=3 2410 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [1,0,0,0,0,0|2,0,1]=4 2411 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [1,0,0,0,0,0|2,0,1]=4 2412 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [1,0,0,0,0,0|2,0,1]=4 2413 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [1,0,0,0,0,0|2,0,1]=4 2414 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [1,0,0,0,0,0|2,0,1]=4 2415 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [1,0,0,0,0,0|1,0,1]=3 2416 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [1,0,0,0,0,0|1,0,1]=3 2417 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [1,0,0,0,0,0|1,0,2]=4 2418 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [1,0,0,0,0,0|1,0,2]=4 2419 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [1,0,0,0,0,0|1,0,2]=4 2420 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [1,0,0,0,0,0|3,0,0]=4 2421 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [1,0,0,0,0,0|3,0,0]=4 2422 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [1,0,0,0,0,0|3,0,0]=4 2423 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [1,0,0,0,0,0|3,0,0]=4 2424 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [1,0,0,0,0,0|3,0,0]=4 2425 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [1,0,0,0,0,0|3,0,0]=4 2426 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [1,0,0,0,0,0|3,0,0]=4 2427 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [1,0,0,0,0,0|3,0,0]=4 2428 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [1,0,0,0,0,0|3,0,0]=4 2429 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [1,0,0,0,0,0|3,0,0]=4 2430 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [1,0,0,0,0,0|3,0,0]=4 2431 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [1,0,0,0,0,0|3,0,0]=4 2432 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [1,0,0,0,0,0|3,0,0]=4 2433 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [1,0,0,0,0,0|3,0,0]=4 2434 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [1,0,0,0,0,0|3,0,0]=4 2435 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [1,0,0,0,0,0|3,0,0]=4 2436 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [1,0,0,0,0,0|3,0,0]=4 2437 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [1,0,0,0,0,0|3,0,0]=4 2438 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [1,0,0,0,0,0|3,0,0]=4 2439 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [1,0,0,0,0,0|3,0,0]=4 2440 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [1,0,0,0,0,0|3,0,0]=4 2441 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [1,0,0,0,0,0|1,0,2]=4 2442 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [1,0,0,0,0,0|1,0,2]=4 2443 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [1,0,0,0,0,0|1,0,2]=4 2444 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [1,0,0,0,0,0|1,0,2]=4 2445 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [1,0,0,0,0,0|1,0,2]=4 2446 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [1,0,0,0,0,0|1,0,2]=4 2447 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [1,0,0,0,0,0|2,0,0]=3 2448 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [1,0,0,0,0,0|2,0,0]=3 2449 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [1,0,0,0,0,0|3,0,0]=4 2450 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [1,0,0,0,0,0|3,0,0]=4 2451 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [1,0,0,0,0,0|3,0,0]=4 2452 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [1,0,0,0,0,0|3,0,0]=4 2453 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [1,0,0,0,0,0|3,0,0]=4 2454 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [1,0,0,0,0,0|3,0,0]=4 2455 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [1,0,0,0,0,0|3,0,0]=4 2456 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [1,0,0,0,0,0|3,0,0]=4 2457 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [1,0,0,0,0,0|3,0,0]=4 2458 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [1,0,0,0,0,0|3,0,0]=4 2459 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [1,0,0,0,0,0|3,0,0]=4 2460 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [1,0,0,0,0,0|3,0,0]=4 2461 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [1,0,0,0,0,0|3,0,0]=4 2462 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [1,0,0,0,0,0|3,0,0]=4 2463 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [1,0,0,0,0,0|3,0,0]=4 2464 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [1,0,0,0,0,0|3,0,0]=4 2465 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [1,0,0,0,0,0|3,0,0]=4 2466 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [1,0,0,0,0,0|3,0,0]=4 2467 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [1,0,0,0,0,0|3,0,0]=4 2468 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [1,0,0,0,0,0|3,0,0]=4 2469 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [1,0,0,0,0,0|3,0,0]=4 2470 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [1,0,0,0,0,0|3,0,0]=4 2471 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [1,0,0,0,0,0|3,0,0]=4 2472 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [1,0,0,0,0,0|3,0,0]=4 2473 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [1,0,0,0,0,0|3,0,0]=4 2474 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [1,0,0,0,0,0|3,0,0]=4 2475 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [1,0,0,0,0,0|3,0,0]=4 2476 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [1,0,0,0,0,0|3,0,0]=4 2477 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [1,0,0,0,0,0|3,0,0]=4 2478 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [1,0,0,0,0,0|3,0,0]=4 2479 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [1,0,0,0,0,0|3,0,0]=4 2480 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [1,0,0,0,0,0|3,0,0]=4 2481 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [1,0,0,0,0,0|3,0,0]=4 2482 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [1,0,0,0,0,0|3,0,0]=4 2483 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [1,0,0,0,0,0|3,0,0]=4 2484 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [1,0,0,0,0,0|3,0,0]=4 2485 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [1,0,0,0,0,0|3,0,0]=4 2486 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [1,0,0,0,0,0|3,0,0]=4 2487 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [1,0,0,0,0,0|3,0,0]=4 2488 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [1,0,0,0,0,0|3,0,0]=4 2489 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [1,0,0,0,0,0|3,0,0]=4 2490 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [1,0,0,0,0,0|1,0,2]=4 2491 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [1,0,0,0,0,0|1,0,2]=4 2492 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [1,0,0,0,0,0|1,0,2]=4 2493 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [1,0,0,0,0,0|1,0,2]=4 2494 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [1,0,0,0,0,0|1,0,0]=2 2495 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [1,0,0,0,0,0|1,0,0]=2 2496 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [1,0,0,0,0,0|1,0,0]=2 2497 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [1,0,0,0,0,0|3,0,0]=4 2498 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [1,0,0,0,0,0|3,0,0]=4 2499 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [1,0,0,0,0,0|3,0,0]=4 2500 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [1,0,0,0,0,0|3,0,0]=4 2501 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [1,0,0,0,0,0|3,0,0]=4 2502 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [1,0,0,0,0,0|3,0,0]=4 2503 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [1,0,0,0,0,0|2,0,0]=3 2504 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [1,0,0,0,0,0|2,0,0]=3 2505 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [1,0,0,0,0,0|2,0,0]=3 2506 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [1,0,0,0,0,0|2,0,0]=3 2507 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [1,0,0,0,0,0|2,0,0]=3 2508 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [1,0,0,0,0,0|2,0,0]=3 2509 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [1,0,0,0,0,0|2,0,0]=3 2510 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [1,0,0,0,0,0|1,0,0]=2 2511 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [1,0,0,0,0,0|1,0,1]=3 2512 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [1,0,0,0,0,0|2,0,1]=4 2513 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [1,0,0,0,0,0|2,0,1]=4 2514 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [1,0,0,0,0,0|2,0,1]=4 2515 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [1,0,0,0,0,0|2,0,1]=4 2516 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [1,0,0,0,0,0|2,0,1]=4 2517 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [1,0,0,0,0,0|2,0,1]=4 2518 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [1,0,0,0,0,0|2,0,1]=4 2519 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [1,0,0,0,0,0|2,0,0]=3 2520 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [1,0,0,0,0,0|2,0,0]=3 2521 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [1,0,0,0,0,0|2,0,0]=3 2522 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [1,0,0,0,0,0|2,0,0]=3 2523 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [1,0,0,0,0,0|2,0,0]=3 2524 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [1,0,0,0,0,0|1,0,1]=3 2525 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [1,0,0,0,0,0|2,0,1]=4 2526 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [1,0,0,0,0,0|2,0,1]=4 2527 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [1,0,0,0,0,0|2,0,1]=4 2528 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [1,0,0,0,0,0|2,0,1]=4 2529 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [1,0,0,0,0,0|2,0,1]=4 2530 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [1,0,0,0,0,0|2,0,0]=3 2531 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [1,0,0,0,0,0|2,0,0]=3 2532 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [1,0,0,0,0,0|1,0,1]=3 2533 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [1,0,0,0,0,0|1,0,1]=3 2534 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [1,0,0,0,0,0|2,0,1]=4 2535 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [1,0,0,0,0,0|2,0,1]=4 2536 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [1,0,0,0,0,0|2,0,1]=4 2537 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [1,0,0,0,0,0|2,0,1]=4 2538 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [1,0,0,0,0,0|2,0,1]=4 2539 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [1,0,0,0,0,0|2,0,0]=3 2540 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [1,0,0,0,0,0|2,0,1]=4 2541 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [1,0,0,0,0,0|2,0,1]=4 2542 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [1,0,0,0,0,0|2,0,0]=3 2543 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [1,0,0,0,0,0|2,0,0]=3 2544 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [1,0,0,0,0,0|2,0,0]=3 2545 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [1,0,0,0,0,0|2,0,0]=3 2546 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [1,0,0,0,0,0|2,0,0]=3 2547 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [1,0,0,0,0,0|2,0,0]=3 2548 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [1,0,0,0,0,0|2,0,0]=3 2549 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [1,0,0,0,0,0|2,0,0]=3 2550 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [1,0,0,0,0,0|2,0,1]=4 2551 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [1,0,0,0,0,0|2,0,1]=4 2552 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [1,0,0,0,0,0|3,0,0]=4 2553 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [1,0,0,0,0,0|2,0,0]=3 2554 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [1,0,0,0,0,0|2,0,0]=3 2555 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [1,0,0,0,0,0|2,0,0]=3 2556 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [1,0,0,0,0,0|2,0,0]=3 2557 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [1,0,0,0,0,0|2,0,1]=4 2558 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [1,0,0,0,0,0|2,0,1]=4 2559 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [1,0,0,0,0,0|3,0,0]=4 2560 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [1,0,0,0,0,0|3,0,0]=4 2561 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [1,0,0,0,0,0|2,0,0]=3 2562 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [1,0,0,0,0,0|2,0,1]=4 2563 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [1,0,0,0,0,0|3,0,0]=4 2564 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [1,0,0,0,0,0|3,0,0]=4 2565 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [1,0,0,0,0,0|3,0,0]=4 2566 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [1,0,0,0,0,0|3,0,0]=4 2567 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [1,0,0,0,0,0|3,0,0]=4 2568 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [1,0,0,0,0,0|2,0,0]=3 2569 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [1,0,0,0,0,0|2,0,0]=3 2570 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [1,0,0,0,0,0|2,0,0]=3 2571 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [1,0,0,0,0,0|2,0,0]=3 2572 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [1,0,0,0,0,0|2,0,0]=3 2573 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [1,0,0,0,0,0|2,0,0]=3 2574 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [1,0,0,0,0,0|2,0,1]=4 2575 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [1,0,0,0,0,0|2,0,1]=4 2576 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [1,0,0,0,0,0|2,0,1]=4 2577 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [1,0,0,0,0,0|3,0,0]=4 2578 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [1,0,0,0,0,0|3,0,0]=4 2579 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [1,0,0,0,0,0|3,0,0]=4 2580 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [1,0,0,0,0,0|3,0,0]=4 2581 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [1,0,0,0,0,0|3,0,0]=4 2582 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [1,0,0,0,0,0|3,0,0]=4 2583 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [1,0,0,0,0,0|3,0,0]=4 2584 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [1,0,0,0,0,0|3,0,0]=4 2585 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [1,0,0,0,0,0|3,0,0]=4 2586 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [1,0,0,0,0,0|2,0,0]=3 2587 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [1,0,0,0,0,0|2,0,0]=3 2588 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [1,0,0,0,0,0|2,0,0]=3 2589 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [1,0,0,0,0,0|2,0,0]=3 2590 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [1,0,0,0,0,0|2,0,1]=4 2591 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [1,0,0,0,0,0|2,0,1]=4 2592 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [1,0,0,0,0,0|3,0,0]=4 2593 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [1,0,0,0,0,0|3,0,0]=4 2594 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [1,0,0,0,0,0|3,0,0]=4 2595 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [1,0,0,0,0,0|3,0,0]=4 2596 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [1,0,0,0,0,0|3,0,0]=4 2597 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [1,0,0,0,0,0|3,0,0]=4 2598 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [1,0,0,0,0,0|3,0,0]=4 2599 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [1,0,0,0,0,0|3,0,0]=4 2600 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [1,0,0,0,0,0|2,0,1]=4 2601 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [1,0,0,0,0,0|2,0,0]=3 2602 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [1,0,0,0,0,0|3,0,0]=4 2603 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [1,0,0,0,0,0|3,0,0]=4 2604 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [1,0,0,0,0,0|3,0,0]=4 2605 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [1,0,0,0,0,0|3,0,0]=4 2606 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [1,0,0,0,0,0|2,0,0]=3 2607 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [1,0,0,0,0,0|2,0,1]=4 2608 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [1,0,0,0,0,0|2,0,1]=4 2609 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [1,0,0,0,0,0|2,0,1]=4 2610 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [1,0,0,0,0,0|2,0,0]=3 2611 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [1,0,0,0,0,0|2,0,0]=3 2612 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [1,0,0,0,0,0|2,0,0]=3 2613 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [1,0,0,0,0,0|2,0,0]=3 2614 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [1,0,0,0,0,0|2,0,1]=4 2615 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [1,0,0,0,0,0|2,0,1]=4 2616 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [1,0,0,0,0,0|3,0,0]=4 2617 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [1,0,0,0,0,0|3,0,0]=4 2618 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [1,0,0,0,0,0|3,0,0]=4 2619 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [1,0,0,0,0,0|3,0,0]=4 2620 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [1,0,0,0,0,0|3,0,0]=4 2621 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [1,0,0,0,0,0|3,0,0]=4 2622 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [1,0,0,0,0,0|3,0,0]=4 2623 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [1,0,0,0,0,0|3,0,0]=4 2624 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [1,0,0,0,0,0|3,0,0]=4 2625 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [1,0,0,0,0,0|2,0,1]=4 2626 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [1,0,0,0,0,0|2,0,1]=4 2627 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [1,0,0,0,0,0|2,0,1]=4 2628 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [1,0,0,0,0,0|2,0,0]=3 2629 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [1,0,0,0,0,0|2,0,0]=3 2630 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [1,0,0,0,0,0|3,0,0]=4 2631 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [1,0,0,0,0,0|3,0,0]=4 2632 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [1,0,0,0,0,0|3,0,0]=4 2633 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [1,0,0,0,0,0|3,0,0]=4 2634 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [1,0,0,0,0,0|3,0,0]=4 2635 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [1,0,0,0,0,0|3,0,0]=4 2636 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [1,0,0,0,0,0|2,0,1]=4 2637 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [1,0,0,0,0,0|2,0,1]=4 2638 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [1,0,0,0,0,0|2,0,0]=3 2639 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [1,0,0,0,0,0|2,0,0]=3 2640 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [1,0,0,0,0,0|3,0,0]=4 2641 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [1,0,0,0,0,0|3,0,0]=4 2642 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [1,0,0,0,0,0|3,0,0]=4 2643 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [1,0,0,0,0,0|3,0,0]=4 2644 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [1,0,0,0,0,0|3,0,0]=4 2645 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [1,0,0,0,0,0|2,0,1]=4 2646 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [1,0,0,0,0,0|2,0,1]=4 2647 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [1,0,0,0,0,0|2,0,0]=3 2648 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [1,0,0,0,0,0|2,0,0]=3 2649 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [1,0,0,0,0,0|2,0,0]=3 2650 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [1,0,0,0,0,0|2,0,0]=3 2651 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [1,0,0,0,0,0|1,0,1]=3 2652 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [1,0,0,0,0,0|3,0,0]=4 2653 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [1,0,0,0,0,0|3,0,0]=4 2654 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [1,0,0,0,0,0|3,0,0]=4 2655 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [1,0,0,0,0,0|3,0,0]=4 2656 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [1,0,0,0,0,0|3,0,0]=4 2657 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [1,0,0,0,0,0|3,0,0]=4 2658 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [1,0,0,0,0,0|3,0,0]=4 2659 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [1,0,0,0,0,0|3,0,0]=4 2660 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [1,0,0,0,0,0|2,0,1]=4 2661 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [1,0,0,0,0,0|3,0,0]=4 2662 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [1,0,0,0,0,0|3,0,0]=4 2663 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [1,0,0,0,0,0|2,0,1]=4 2664 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [1,0,0,0,0,0|3,0,0]=4 2665 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [1,0,0,0,0,0|3,0,0]=4 2666 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [1,0,0,0,0,0|3,0,0]=4 2667 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [1,0,0,0,0,0|3,0,0]=4 2668 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [1,0,0,0,0,0|3,0,0]=4 2669 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [1,0,0,0,0,0|3,0,0]=4 2670 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [1,0,0,0,0,0|3,0,0]=4 2671 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [1,0,0,0,0,0|3,0,0]=4 2672 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [1,0,0,0,0,0|3,0,0]=4 2673 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [1,0,0,0,0,0|3,0,0]=4 2674 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [1,0,0,0,0,0|3,0,0]=4 2675 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [1,0,0,0,0,0|3,0,0]=4 2676 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [1,0,0,0,0,0|3,0,0]=4 2677 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [1,0,0,0,0,0|3,0,0]=4 2678 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [1,0,0,0,0,0|3,0,0]=4 2679 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [1,0,0,0,0,0|3,0,0]=4 2680 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [1,0,0,0,0,0|3,0,0]=4 2681 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [1,0,0,0,0,0|3,0,0]=4 2682 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [1,0,0,0,0,0|2,0,1]=4 2683 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [1,0,0,0,0,0|2,0,1]=4 2684 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [1,0,0,0,0,0|2,0,0]=3 2685 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [1,0,0,0,0,0|2,0,0]=3 2686 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [1,0,0,0,0,0|3,0,0]=4 2687 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [1,0,0,0,0,0|3,0,0]=4 2688 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [1,0,0,0,0,0|3,0,0]=4 2689 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [1,0,0,0,0,0|3,0,0]=4 2690 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [1,0,0,0,0,0|3,0,0]=4 2691 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [1,0,0,0,0,0|3,0,0]=4 2692 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [1,0,0,0,0,0|3,0,0]=4 2693 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [1,0,0,0,0,0|3,0,0]=4 2694 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [1,0,0,0,0,0|3,0,0]=4 2695 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [1,0,0,0,0,0|3,0,0]=4 2696 B12R0.234 CCCOCCCCCCB(O)O 34a_100000210258_100009817187 [1,0,0,0,0,0|2,0,1]=4 2697 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [1,0,0,0,0,0|3,0,0]=4 2698 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [1,0,0,0,0,0|3,0,0]=4 2699 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [1,0,0,0,0,0|3,0,0]=4 2700 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [1,0,0,0,0,0|3,0,0]=4 2701 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [1,0,0,0,0,0|3,0,0]=4 2702 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [1,0,0,0,0,0|3,0,0]=4 2703 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [1,0,0,0,0,0|3,0,0]=4 2704 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [1,0,0,0,0,0|3,0,0]=4 2705 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [1,0,0,0,0,0|3,0,0]=4 2706 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [1,0,0,0,0,0|3,0,0]=4 2707 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [1,0,0,0,0,0|3,0,0]=4 2708 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [1,0,0,0,0,0|3,0,0]=4 2709 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [1,0,0,0,0,0|3,0,0]=4 2710 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [1,0,0,0,0,0|3,0,0]=4 2711 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [1,0,0,0,0,0|3,0,0]=4 2712 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [1,0,0,0,0,0|3,0,0]=4 2713 B12R0.234 CCCSCCCCCCB(O)O 62a_100000210303_100009817187 [1,0,0,0,0,0|2,0,1]=4 2714 B12R0.234 CCCSCCCCCCB(O)O 62a_100009817187_100000210303 [1,0,0,0,0,0|2,0,1]=4 2715 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [1,0,0,0,0,0|3,0,0]=4 2716 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [1,0,0,0,0,0|3,0,0]=4 2717 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [1,0,0,0,0,0|3,0,0]=4 2718 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [1,0,0,0,0,0|3,0,0]=4 2719 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [1,0,0,0,0,0|3,0,0]=4 2720 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [1,0,0,0,0,0|3,0,0]=4 2721 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [1,0,0,0,0,0|3,0,0]=4 2722 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [1,0,0,0,0,0|3,0,0]=4 2723 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [1,0,0,0,0,0|3,0,0]=4 2724 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [1,0,0,0,0,0|3,0,0]=4 2725 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [1,0,0,0,0,0|3,0,0]=4 2726 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [1,0,0,0,0,0|3,0,0]=4 2727 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [1,0,0,0,0,0|3,0,0]=4 2728 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [1,0,0,0,0,0|3,0,0]=4 2729 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [1,0,0,0,0,0|3,0,0]=4 2730 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [1,0,0,0,0,0|3,0,0]=4 2731 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [1,0,0,0,0,0|3,0,0]=4 2732 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [1,0,0,0,0,0|3,0,0]=4 2733 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [1,0,0,0,0,0|3,0,0]=4 2734 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [1,0,0,0,0,0|3,0,0]=4 2735 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [1,0,0,0,0,0|3,0,0]=4 2736 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [1,0,0,0,0,0|3,0,0]=4 2737 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [1,0,0,0,0,0|3,0,0]=4 2738 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [1,0,0,0,0,0|3,0,0]=4 2739 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [1,0,0,0,0,0|3,0,0]=4 2740 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [1,0,0,0,0,0|3,0,0]=4 2741 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [1,0,0,0,0,0|3,0,0]=4 2742 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [1,0,0,0,0,0|3,0,0]=4 2743 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [1,0,0,0,0,0|3,0,0]=4 2744 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [1,0,0,0,0,0|3,0,0]=4 2745 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [1,0,0,0,0,0|3,0,0]=4 2746 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [1,0,0,0,0,0|3,0,0]=4 2747 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [1,0,0,0,0,0|3,0,0]=4 2748 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [1,0,0,0,0,0|3,0,0]=4 2749 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [1,0,0,0,0,0|3,0,0]=4 2750 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [1,0,0,0,0,0|3,0,0]=4 2751 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [1,0,0,0,0,0|3,0,0]=4 2752 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [1,0,0,0,0,0|3,0,0]=4 2753 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [1,0,0,0,0,0|3,0,0]=4 2754 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [1,0,0,0,0,0|3,0,0]=4 2755 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [1,0,0,0,0,0|3,0,0]=4 2756 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [1,0,0,0,0,0|3,0,0]=4 2757 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [1,0,0,0,0,0|3,0,0]=4 2758 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [1,0,0,0,0,0|3,0,0]=4 2759 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [1,0,0,0,0,0|3,0,0]=4 2760 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [1,0,0,0,0,0|3,0,0]=4 2761 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [1,0,0,0,0,0|3,0,0]=4 2762 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [1,0,0,0,0,0|3,0,0]=4 2763 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [1,0,0,0,0,0|3,0,0]=4 2764 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [1,0,0,0,0,0|2,0,0]=3 2765 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [1,0,0,0,0,0|3,0,0]=4 2766 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [1,0,0,0,0,0|3,0,0]=4 2767 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [1,0,0,0,0,0|3,0,0]=4 2768 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [1,0,0,0,0,0|2,0,1]=4 2769 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [1,0,0,0,0,0|3,0,0]=4 2770 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [1,0,0,0,0,0|3,0,0]=4 2771 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [1,0,0,0,0,0|2,0,1]=4 2772 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [1,0,0,0,0,0|2,0,1]=4 2773 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [1,0,0,0,0,0|3,0,0]=4 2774 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [1,0,0,0,0,0|3,0,0]=4 2775 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [1,0,0,0,0,0|3,0,0]=4 2776 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [1,0,0,0,0,0|3,0,0]=4 2777 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [1,0,0,0,0,0|3,0,0]=4 2778 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [1,0,0,0,0,0|3,0,0]=4 2779 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [1,0,0,0,0,0|3,0,0]=4 2780 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [1,0,0,0,0,0|3,0,0]=4 2781 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [1,0,0,0,0,0|3,0,0]=4 2782 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [1,0,0,0,0,0|3,0,0]=4 2783 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [1,0,0,0,0,0|3,0,0]=4 2784 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [1,0,0,0,0,0|3,0,0]=4 2785 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [1,0,0,0,0,0|3,0,0]=4 2786 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [1,0,0,0,0,0|3,0,0]=4 2787 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [1,0,0,0,0,0|3,0,0]=4 2788 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [1,0,0,0,0,0|3,0,0]=4 2789 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [1,0,0,0,0,0|3,0,0]=4 2790 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [1,0,0,0,0,0|3,0,0]=4 2791 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [1,0,0,0,0,0|3,0,0]=4 2792 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [1,0,0,0,0,0|3,0,0]=4 2793 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [1,0,0,0,0,0|3,0,0]=4 2794 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [1,0,0,0,0,0|3,0,0]=4 2795 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [1,0,0,0,0,0|3,0,0]=4 2796 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [1,0,0,0,0,0|2,0,1]=4 2797 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [1,0,0,0,0,0|3,0,0]=4 2798 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [1,0,0,0,0,0|3,0,0]=4 2799 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [1,0,0,0,0,0|3,0,0]=4 2800 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [1,0,0,0,0,0|3,0,0]=4 2801 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [1,0,0,0,0,0|3,0,0]=4 2802 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [1,0,0,0,0,0|3,0,0]=4 2803 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [1,0,0,0,0,0|3,0,0]=4 2804 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [1,0,0,0,0,0|3,0,0]=4 2805 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [1,0,0,0,0,0|3,0,0]=4 2806 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [1,0,0,0,0,0|3,0,0]=4 2807 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [1,0,0,0,0,0|3,0,0]=4 2808 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [1,0,0,0,0,0|3,0,0]=4 2809 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [1,0,0,0,0,0|3,0,0]=4 2810 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [1,0,0,0,0,0|3,0,0]=4 2811 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [1,0,0,0,0,0|2,0,1]=4 2812 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [1,0,0,0,0,0|3,0,0]=4 2813 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [1,0,0,0,0,0|3,0,0]=4 2814 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [1,0,0,0,0,0|2,0,1]=4 2815 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [1,0,0,0,0,0|3,0,0]=4 2816 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [1,0,0,0,0,0|3,0,0]=4 2817 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [1,0,0,0,0,0|3,0,0]=4 2818 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [1,0,0,0,0,0|3,0,0]=4 2819 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [1,0,0,0,0,0|3,0,0]=4 2820 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [1,0,0,0,0,0|3,0,0]=4 2821 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [1,0,0,0,0,0|3,0,0]=4 2822 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [1,0,0,0,0,0|3,0,0]=4 2823 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [1,0,0,0,0,0|3,0,0]=4 2824 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [1,0,0,0,0,0|3,0,0]=4 2825 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [1,0,0,0,0,0|3,0,0]=4 2826 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [1,0,0,0,0,0|3,0,0]=4 2827 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [1,0,0,0,0,0|3,0,0]=4 2828 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [1,0,0,0,0,0|3,0,0]=4 2829 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [1,0,0,0,0,0|3,0,0]=4 2830 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [1,0,0,0,0,0|3,0,0]=4 2831 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [1,0,0,0,0,0|3,0,0]=4 2832 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [1,0,0,0,0,0|3,0,0]=4 2833 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [1,0,0,0,0,0|3,0,0]=4 2834 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [1,0,0,0,0,0|3,0,0]=4 2835 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [1,0,0,0,0,0|3,0,0]=4 2836 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [1,0,0,0,0,0|3,0,0]=4 2837 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [1,0,0,0,0,0|3,0,0]=4 2838 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [1,0,0,0,0,0|3,0,0]=4 2839 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [1,0,0,0,0,0|3,0,0]=4 2840 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [1,0,0,0,0,0|3,0,0]=4 2841 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [1,0,0,0,0,0|3,0,0]=4 2842 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [1,0,0,0,0,0|3,0,0]=4 2843 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [1,0,0,0,0,0|3,0,0]=4 2844 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [1,0,0,0,0,0|3,0,0]=4 2845 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [1,0,0,0,0,0|3,0,0]=4 2846 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [1,0,0,0,0,0|3,0,0]=4 2847 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [1,0,0,0,0,0|3,0,0]=4 2848 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [1,0,0,0,0,0|3,0,0]=4 2849 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [1,0,0,0,0,0|3,0,0]=4 2850 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [1,0,0,0,0,0|3,0,0]=4 2851 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [1,0,0,0,0,0|3,0,0]=4 2852 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [1,0,0,0,0,0|3,0,0]=4 2853 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [1,0,0,0,0,0|3,0,0]=4 2854 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [1,0,0,0,0,0|3,0,0]=4 2855 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [1,0,0,0,0,0|3,0,0]=4 2856 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [1,0,0,0,0,0|3,0,0]=4 2857 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [1,0,0,0,0,0|3,0,0]=4 2858 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [1,0,0,0,0,0|3,0,0]=4 2859 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [1,0,0,0,0,0|3,0,0]=4 2860 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [1,0,0,0,0,0|3,0,0]=4 2861 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [1,0,0,0,0,0|3,0,0]=4 2862 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [1,0,0,0,0,0|3,0,0]=4 2863 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [1,0,0,0,0,0|3,0,0]=4 2864 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [1,0,0,0,0,0|3,0,0]=4 2865 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [1,0,0,0,0,0|3,0,0]=4 2866 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [1,0,0,0,0,0|3,0,0]=4 2867 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [1,0,0,0,0,0|3,0,0]=4 2868 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [1,0,0,0,0,0|3,0,0]=4 2869 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [1,0,0,0,0,0|3,0,0]=4 2870 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [1,0,0,0,0,0|3,0,0]=4 2871 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [1,0,0,0,0,0|2,0,1]=4 2872 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [1,0,0,0,0,0|3,0,0]=4 2873 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [1,0,0,0,0,0|3,0,0]=4 2874 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [1,0,0,0,0,0|3,0,0]=4 2875 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [1,0,0,0,0,0|2,0,0]=3 2876 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [1,0,0,0,0,0|3,0,0]=4 2877 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [1,0,0,0,0,0|3,0,0]=4 2878 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [1,0,0,0,0,0|3,0,0]=4 2879 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [1,0,0,0,0,0|3,0,0]=4 2880 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [1,0,0,0,0,0|2,0,1]=4 2881 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [1,0,0,0,0,0|2,0,1]=4 2882 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [1,0,0,0,0,0|2,0,1]=4 2883 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [1,0,0,0,0,0|2,0,1]=4 2884 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [1,0,0,0,0,0|2,0,1]=4 2885 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [1,0,0,0,0,0|2,0,1]=4 2886 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [1,0,0,0,0,0|2,0,0]=3 2887 B14R0.2 C#CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012094781 [0,1,0,0,0,0|1,0,2]=4 2888 B14R0.2 C=C(C)CCOC(C)CCCCCCC 34a_100000764851_200011218727 [0,1,0,0,0,0|3,0,0]=4 2889 B14R0.2 C=C(C)CCOC(C)CCCCCCC 34a_200011215852_100000730704 [0,1,0,0,0,0|3,0,0]=4 2890 B14R0.2 C=C(C)CCOC(C)CCCCCCC 7a_200011215852_100000730704 [0,1,0,0,0,0|3,0,0]=4 2891 B14R0.2 C=CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000700193 [0,1,0,0,0,0|1,0,2]=4 2892 B14R0.2 CC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100011215641 [0,1,0,0,0,0|2,0,1]=4 2893 B14R0.2 CC(CCCC(=O)[O-])OCCCCCF 7a_100000761597_100000729378 [0,1,0,0,0,0|2,0,1]=4 2894 B14R0.2 CC(CCCC(=O)[O-])OCCCCCO 7a_100000761597_100000746330 [0,1,0,0,0,0|2,0,1]=4 2895 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [0,1,0,0,0,0|1,0,1]=3 2896 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [0,1,0,0,0,0|1,0,1]=3 2897 B14R0.2 CCCCCCCC(=O)CCCC(C)O 1458a_100000211969_200000718107 [0,1,0,0,0,0|1,0,2]=4 2898 B14R0.2 CCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210614 [0,1,0,0,0,0|1,0,2]=4 2899 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210614 [0,1,0,0,0,0|2,0,1]=4 2900 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000211969_100000189650 [0,1,0,0,0,0|2,0,1]=4 2901 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210614 [0,1,0,0,0,0|2,0,1]=4 2902 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000211969_200000034859 [0,1,0,0,0,0|2,0,1]=4 2903 B14R0.2 CCCCCCCC(=O)CCOC(=O)C 1458a_100000211969_100009814007 [0,1,0,0,0,0|2,0,1]=4 2904 B14R0.2 CCCCCCCC(=O)CCOC(=O)N 1458a_100000211969_200011214921 [0,1,0,0,0,0|2,0,1]=4 2905 B14R0.2 CCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210614 [0,1,0,0,0,0|2,0,1]=4 2906 B14R0.2 CCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210614 [0,1,0,0,0,0|2,0,1]=4 2907 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000211969 [0,1,0,0,0,0|2,0,1]=4 2908 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000211969 [0,1,0,0,0,0|2,0,1]=4 2909 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000211969 [0,1,0,0,0,0|2,0,1]=4 2910 B14R0.2 CCCCCCCC(C)NCCC(C)O 2230a_200000755665_200011218727 [0,1,0,0,0,0|2,0,1]=4 2911 B14R0.2 CCCCCCCC(C)NCCC(C)O 270004a_200000755665_100000210596 [0,1,0,0,0,0|2,0,1]=4 2912 B14R0.2 CCCCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218727 [0,1,0,0,0,0|2,0,0]=3 2913 B14R0.2 CCCCCCCC(C)OCCC(=O)C 34a_100000759926_200011218727 [0,1,0,0,0,0|2,0,0]=3 2914 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_100000759926_200011218727 [0,1,0,0,0,0|2,0,0]=3 2915 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_200011215852_100000053229 [0,1,0,0,0,0|2,0,0]=3 2916 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_100000757172_200011218727 [0,1,0,0,0,0|2,0,0]=3 2917 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_200011215852_100000731001 [0,1,0,0,0,0|2,0,0]=3 2918 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_100000757172_200011218727 [0,1,0,0,0,0|2,0,0]=3 2919 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_200011215852_100000744528 [0,1,0,0,0,0|2,0,0]=3 2920 B14R0.2 CCCCCCCC(C)OCCC(C)O 34a_200011215852_100012276601 [0,1,0,0,0,0|2,0,1]=4 2921 B14R0.2 CCCCCCCC(C)OCCC(C)O 7a_200011215852_100012276601 [0,1,0,0,0,0|2,0,1]=4 2922 B14R0.2 CCCCCCCC(C)OCOC(=O)C 34a_200011215852_100009813279 [0,1,0,0,0,0|3,0,0]=4 2923 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_100000053229_200011218727 [0,1,0,0,0,0|2,0,0]=3 2924 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_200011218727_100000053229 [0,1,0,0,0,0|2,0,0]=3 2925 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_100000744528_200011218727 [0,1,0,0,0,0|2,0,0]=3 2926 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_200011218727_100000744528 [0,1,0,0,0,0|2,0,0]=3 2927 B14R0.2 CCCCCCCC(C)SCCC(C)O 62a_100012276601_200011218727 [0,1,0,0,0,0|2,0,1]=4 2928 B14R0.2 CCCCCCCC(C)SCCC(C)O 62a_200011218727_100012276601 [0,1,0,0,0,0|2,0,1]=4 2929 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_100000076356_200011218727 [0,1,0,0,0,0|3,0,0]=4 2930 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_200011218727_100000076356 [0,1,0,0,0,0|3,0,0]=4 2931 B14R0.2 CCCCCCCN(C)CCCC(=O)C 269982a_100000228206_100011215641 [0,1,0,0,0,0|2,0,0]=3 2932 B14R0.2 CCCCCCCN(C)CCCC(=O)N 269982a_100000228206_100102525003 [0,1,0,0,0,0|2,0,0]=3 2933 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [0,1,0,0,0,0|1,0,0]=2 2934 B14R0.2 CCCCCCCN(C)CCCC(C)O 2230a_100000228206_200000718107 [0,1,0,0,0,0|2,0,1]=4 2935 B14R0.2 CCCCCCCN(C)CCCC(C)O 269982a_100000228206_200000718107 [0,1,0,0,0,0|2,0,1]=4 2936 B14R0.2 CCCCCCCN(C)CCNC(=O)C 2230a_100000228206_100000189650 [0,1,0,0,0,0|3,0,0]=4 2937 B14R0.2 CCCCCCCN(C)CCNC(=O)C 269982a_100000228206_100000189650 [0,1,0,0,0,0|3,0,0]=4 2938 B14R0.2 CCCCCCCN(C)CCNC(=O)N 2230a_100000228206_200000034859 [0,1,0,0,0,0|3,0,0]=4 2939 B14R0.2 CCCCCCCN(C)CCNC(=O)N 269982a_100000228206_200000034859 [0,1,0,0,0,0|3,0,0]=4 2940 B14R0.2 CCCCCCCN(C)CCOC(=O)C 269982a_100000228206_100009814007 [0,1,0,0,0,0|3,0,0]=4 2941 B14R0.2 CCCCCCCN(C)CCOC(=O)N 269982a_100000228206_200011214921 [0,1,0,0,0,0|3,0,0]=4 2942 B14R0.2 CCCCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000230325 [0,1,0,0,0,0|2,0,1]=4 2943 B14R0.2 CCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210314 [0,1,0,0,0,0|1,0,1]=3 2944 B14R0.2 CCCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000743108 [0,1,0,0,0,0|2,0,0]=3 2945 B14R0.2 CCCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011215938 [0,1,0,0,0,0|2,0,1]=4 2946 B14R0.2 CCOCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100012232248 [0,1,0,0,0,0|2,0,1]=4 2947 B14R0.2 CN(CCCCCC#N)CCCC(=O)O 269956a_100000719178_100009813376 [0,1,0,0,0,0|2,0,1]=4 2948 B14R0.2 CN(CCCCCC=O)CCCC(=O)O 269956a_100000719178_100000139337 [0,1,0,0,0,0|2,0,1]=4 2949 B14R0.2 CN(CCCCCCF)CCCC(=O)O 269956a_100000719178_100015922095 [0,1,0,0,0,0|2,0,0]=3 2950 B14R0.2 CN(CCCCCCO)CCCC(=O)O 269956a_100000719178_100000766143 [0,1,0,0,0,0|2,0,0]=3 2951 B14R0.2 COCCCCCC(=O)CCCC(=O)C 1458a_100011935119_100011215641 [0,1,0,0,0,0|2,0,1]=4 2952 B14R0.2 COCCCCCC(=O)CCCC(=O)N 1458a_100011935119_100102525003 [0,1,0,0,0,0|2,0,1]=4 2953 B14R0.2 COCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000730899 [0,1,0,0,0,0|2,0,1]=4 2954 B14R0.2 COCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000695917 [0,1,0,0,0,0|3,0,0]=4 2955 B14R0.2 NC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100102525003 [0,1,0,0,0,0|2,0,1]=4 2956 B14R0.68 C=C(C)CCNCCCCCCC(C)C 2230a_100000211014_100000730704 [0,1,0,0,0,0|3,0,0]=4 2957 B14R0.68 C=C(C)CCNCCCCCCC(C)C 34a_100000211014_100000730704 [0,1,0,0,0,0|3,0,0]=4 2958 B14R0.68 C=C(C)COCCCCCCCC(C)C 34a_200000210741_100000748629 [0,1,0,0,0,0|3,0,0]=4 2959 B14R0.68 C=C(C)COCCCCCCCC(C)C 7a_200000210741_100000748629 [0,1,0,0,0,0|3,0,0]=4 2960 B14R0.68 C=C(F)COCCCCCCCC(C)C 34a_200000210741_100009893438 [0,1,0,0,0,0|3,0,0]=4 2961 B14R0.68 C=C(F)COCCCCCCCC(C)C 7a_200000210741_100000042424 [0,1,0,0,0,0|3,0,0]=4 2962 B14R0.68 CC(=O)CCCCNCCCCC(=O)N 34a_100000696515_100009817362 [0,1,0,0,0,0|2,0,1]=4 2963 B14R0.68 CC(=O)CCCCNCCCOC(C)C 34a_100000737246_100009817362 [0,1,0,0,0,0|3,0,0]=4 2964 B14R0.68 CC(=O)CCCCNCCOCC(=O)O 269956a_100000700818_100000735457 [0,1,0,0,0,0|2,0,1]=4 2965 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 34a_100012022536_100009817362 [0,1,0,0,0,0|2,0,1]=4 2966 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 7a_100012022536_100000735457 [0,1,0,0,0,0|2,0,1]=4 2967 B14R0.68 CC(=O)CCCCOCCCCC(C)C 34a_100011214890_100009817362 [0,1,0,0,0,0|2,0,0]=3 2968 B14R0.68 CC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000735457 [0,1,0,0,0,0|2,0,0]=3 2969 B14R0.68 CC(=O)CCCCOCCCNC(C)C 34a_100000182298_100009817362 [0,1,0,0,0,0|3,0,0]=4 2970 B14R0.68 CC(=O)CCCCOCCNCC(C)C 34a_100015185251_100009817362 [0,1,0,0,0,0|3,0,0]=4 2971 B14R0.68 CC(=O)CCCCOCCOCC(C)C 34a_100000703358_100009817362 [0,1,0,0,0,0|3,0,0]=4 2972 B14R0.68 CC(=O)CCCCOCCOCC(C)C 7a_100000703358_100000735457 [0,1,0,0,0,0|3,0,0]=4 2973 B14R0.68 CC(=O)CCCCOCCSCC(C)C 34a_200000230437_100009817362 [0,1,0,0,0,0|3,0,0]=4 2974 B14R0.68 CC(=O)CCCCOCCSCC(C)C 7a_200000230437_100000735457 [0,1,0,0,0,0|3,0,0]=4 2975 B14R0.68 CC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000735457 [0,1,0,0,0,0|2,0,1]=4 2976 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100000735457_100011216152 [0,1,0,0,0,0|2,0,0]=3 2977 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000735457 [0,1,0,0,0,0|2,0,0]=3 2978 B14R0.68 CC(=O)CCCCSCCCCN(C)C 62a_100000735457_100000690147 [0,1,0,0,0,0|3,0,0]=4 2979 B14R0.68 CC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000685027 [0,1,0,0,0,0|2,0,0]=3 2980 B14R0.68 CC(=O)CCCNCCCOCC(C)C 34a_100000205972_100000685027 [0,1,0,0,0,0|3,0,0]=4 2981 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000123541_100000685027 [0,1,0,0,0,0|2,0,1]=4 2982 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000759063_100009817443 [0,1,0,0,0,0|2,0,1]=4 2983 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000123541_100011215641 [0,1,0,0,0,0|2,0,1]=4 2984 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000759063_100009817443 [0,1,0,0,0,0|2,0,1]=4 2985 B14R0.68 CC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011215641 [0,1,0,0,0,0|1,0,2]=4 2986 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100000759063_100000210682 [0,1,0,0,0,0|2,0,0]=3 2987 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000685027 [0,1,0,0,0,0|2,0,0]=3 2988 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100000759063_100000210682 [0,1,0,0,0,0|2,0,0]=3 2989 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215641 [0,1,0,0,0,0|2,0,0]=3 2990 B14R0.68 CC(=O)CCCOCCCCNC(C)C 34a_100011521146_100000685027 [0,1,0,0,0,0|3,0,0]=4 2991 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100011215641 [0,1,0,0,0,0|2,0,1]=4 2992 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100011215641_100009817443 [0,1,0,0,0,0|2,0,1]=4 2993 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011215641 [0,1,0,0,0,0|2,0,0]=3 2994 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100011215641_100000210682 [0,1,0,0,0,0|2,0,0]=3 2995 B14R0.68 CC(=O)NCCCCCCNCC(C)C 2230a_200011996284_100000210760 [0,1,0,0,0,0|3,0,0]=4 2996 B14R0.68 CC(=O)NCCCCCCNCC(C)C 270004a_200011996284_100000210432 [0,1,0,0,0,0|3,0,0]=4 2997 B14R0.68 CC(=O)NCCCCCCNCC(C)C 34a_200011996284_100000210624 [0,1,0,0,0,0|3,0,0]=4 2998 B14R0.68 CC(=O)NCCCCCCNCC(C)O 2230a_200011996284_100011218427 [0,1,0,0,0,0|3,0,0]=4 2999 B14R0.68 CC(=O)NCCCCCCNCC(C)O 34a_200011996284_100011218427 [0,1,0,0,0,0|3,0,0]=4 3000 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 2230a_200011996284_100009817552 [0,1,0,0,0,0|3,0,0]=4 3001 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 34a_200011996284_100009817552 [0,1,0,0,0,0|3,0,0]=4 3002 B14R0.68 CC(=O)NCCCCCNCCC(C)C 2230a_200012022750_100000210312 [0,1,0,0,0,0|3,0,0]=4 3003 B14R0.68 CC(=O)NCCCCCNCCC(C)C 269862a_200012022750_100000185833 [0,1,0,0,0,0|3,0,0]=4 3004 B14R0.68 CC(=O)NCCCCCNCCC(C)C 34a_200012022750_100000210312 [0,1,0,0,0,0|3,0,0]=4 3005 B14R0.68 CC(=O)NCCCCCNCCC(C)O 2230a_200012022750_100012276601 [0,1,0,0,0,0|3,0,0]=4 3006 B14R0.68 CC(=O)NCCCCCNCCC(C)O 34a_200012022750_100012276601 [0,1,0,0,0,0|3,0,0]=4 3007 B14R0.68 CC(=O)NCCCCNCCCC(C)C 2230a_200011368371_100011214892 [0,1,0,0,0,0|3,0,0]=4 3008 B14R0.68 CC(=O)NCCCCNCCCC(C)C 34a_200011368371_100011214892 [0,1,0,0,0,0|3,0,0]=4 3009 B14R0.68 CC(=O)NCCCCNCCCC(C)O 2230a_200011368371_200000718107 [0,1,0,0,0,0|3,0,0]=4 3010 B14R0.68 CC(=O)NCCCCNCCCC(C)O 34a_200011368371_200000718107 [0,1,0,0,0,0|3,0,0]=4 3011 B14R0.68 CC(=O)NCCCNCCCCC(C)C 34a_100000736810_100011216152 [0,1,0,0,0,0|3,0,0]=4 3012 B14R0.68 CC(=O)NCCCOCCCCC(C)C 34a_100000752032_100011216152 [0,1,0,0,0,0|3,0,0]=4 3013 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100000209853_100000210682 [0,1,0,0,0,0|3,0,0]=4 3014 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100011290863_100000189650 [0,1,0,0,0,0|3,0,0]=4 3015 B14R0.68 CC(=O)NCCOCCCCCC(C)C 34a_100000158858_100000210682 [0,1,0,0,0,0|3,0,0]=4 3016 B14R0.68 CC(=O)NCCOCCCCCC(C)C 7a_100011995859_100000189650 [0,1,0,0,0,0|3,0,0]=4 3017 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000189650_100000210682 [0,1,0,0,0,0|3,0,0]=4 3018 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000210682_100000189650 [0,1,0,0,0,0|3,0,0]=4 3019 B14R0.68 CC(=O)OCCCCCNCCC(C)O 2230a_200000755665_100009813381 [0,1,0,0,0,0|3,0,0]=4 3020 B14R0.68 CC(=O)OCCCCCOCCC(C)Br 34a_100009893172_100000033007 [0,1,0,0,0,0|3,0,0]=4 3021 B14R0.68 CC(=O)OCCCCCOCCC(C)C 34a_100000210254_100000033007 [0,1,0,0,0,0|3,0,0]=4 3022 B14R0.68 CC(=O)OCCCCCOCCC(C)C 7a_100000210254_100000033007 [0,1,0,0,0,0|3,0,0]=4 3023 B14R0.68 CC(=O)OCCCCCOCC[C@@H](C)N 34a_100000706166_100000033007 [0,1,0,0,0,0|3,0,0]=4 3024 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000033007_100000210312 [0,1,0,0,0,0|3,0,0]=4 3025 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000210312_100000033007 [0,1,0,0,0,0|3,0,0]=4 3026 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100000033007_100012276601 [0,1,0,0,0,0|3,0,0]=4 3027 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100012276601_100000033007 [0,1,0,0,0,0|3,0,0]=4 3028 B14R0.68 CC(=O)OCCCCNCCCC(C)C 34a_200000737386_100000033659 [0,1,0,0,0,0|3,0,0]=4 3029 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000073216_100011214892 [0,1,0,0,0,0|3,0,0]=4 3030 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000210774_100000033659 [0,1,0,0,0,0|3,0,0]=4 3031 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000073216_100011214892 [0,1,0,0,0,0|3,0,0]=4 3032 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000210774_100000033659 [0,1,0,0,0,0|3,0,0]=4 3033 B14R0.68 CC(=O)OCCCCOCCCC(C)O 34a_100000073216_200000718107 [0,1,0,0,0,0|3,0,0]=4 3034 B14R0.68 CC(=O)OCCCCOCCCC(C)O 7a_100000073216_200000718107 [0,1,0,0,0,0|3,0,0]=4 3035 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100000033659_100011214892 [0,1,0,0,0,0|3,0,0]=4 3036 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100011214892_100000033659 [0,1,0,0,0,0|3,0,0]=4 3037 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_100000033659_200000718107 [0,1,0,0,0,0|3,0,0]=4 3038 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_200000718107_100000033659 [0,1,0,0,0,0|3,0,0]=4 3039 B14R0.68 CC(=O)OCCCOCCCCC(C)C 34a_100011214890_100000042594 [0,1,0,0,0,0|3,0,0]=4 3040 B14R0.68 CC(=O)OCCCOCCCCC(C)C 7a_100011214890_100000042594 [0,1,0,0,0,0|3,0,0]=4 3041 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100000042594_100011216152 [0,1,0,0,0,0|3,0,0]=4 3042 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100011216152_100000042594 [0,1,0,0,0,0|3,0,0]=4 3043 B14R0.68 CC(=O)OCCNCCCCCC(C)C 34a_100011290863_100009814007 [0,1,0,0,0,0|3,0,0]=4 3044 B14R0.68 CC(=O)OCCOCCCCCC(C)C 34a_100011995859_100009814007 [0,1,0,0,0,0|3,0,0]=4 3045 B14R0.68 CC(=O)OCCOCCCCCC(C)C 7a_100011995859_100009814007 [0,1,0,0,0,0|3,0,0]=4 3046 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100000210682_100009814007 [0,1,0,0,0,0|3,0,0]=4 3047 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100009814007_100000210682 [0,1,0,0,0,0|3,0,0]=4 3048 B14R0.68 CC(=O)OCNCCCCCCC(C)C 34a_100000211014_100009813279 [0,1,0,0,0,0|3,0,0]=4 3049 B14R0.68 CC(=O)SCCCCCCNCC(C)C 270004a_100000704104_100000210432 [0,1,0,0,0,0|3,0,0]=4 3050 B14R0.68 CC(=O)SCCCCNCCCC(C)C 2230a_200000737386_200010402107 [0,1,0,0,0,0|3,0,0]=4 3051 B14R0.68 CC(=O)SCCCCNCCCC(C)C 34a_200000737386_200010402107 [0,1,0,0,0,0|3,0,0]=4 3052 B14R0.68 CC(=O)SCCCCOCCCC(C)C 34a_100000210774_200010402107 [0,1,0,0,0,0|3,0,0]=4 3053 B14R0.68 CC(=O)SCCCCOCCCC(C)C 7a_100000210774_200010402107 [0,1,0,0,0,0|3,0,0]=4 3054 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_100011214892_200010402107 [0,1,0,0,0,0|3,0,0]=4 3055 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_200010402107_100011214892 [0,1,0,0,0,0|3,0,0]=4 3056 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200000718107_200010402107 [0,1,0,0,0,0|3,0,0]=4 3057 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200010402107_200000718107 [0,1,0,0,0,0|3,0,0]=4 3058 B14R0.68 CC(=O)SCCCOCCCCC(C)C 34a_100011214890_100000038929 [0,1,0,0,0,0|3,0,0]=4 3059 B14R0.68 CC(=O)SCCCOCCCCC(C)C 7a_100011214890_100000038929 [0,1,0,0,0,0|3,0,0]=4 3060 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100000038929_100011216152 [0,1,0,0,0,0|3,0,0]=4 3061 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100011216152_100000038929 [0,1,0,0,0,0|3,0,0]=4 3062 B14R0.68 CC(Br)CCOCCCCCCB(O)O 34a_100009893172_100009817187 [0,1,0,0,0,0|2,0,1]=4 3063 B14R0.68 CC(C)CCCCCCCOCC(=O)N 34a_200000210741_100000187820 [0,1,0,0,0,0|2,0,0]=3 3064 B14R0.68 CC(C)CCCCCCCOCC(=O)N 7a_200000210741_100000187820 [0,1,0,0,0,0|2,0,0]=3 3065 B14R0.68 CC(C)CCCCCCCOCC(=O)[O-] 34a_200000210741_100020667443 [0,1,0,0,0,0|1,0,1]=3 3066 B14R0.68 CC(C)CCCCCCCOCC(C)O 34a_200000210741_100011218427 [0,1,0,0,0,0|2,0,1]=4 3067 B14R0.68 CC(C)CCCCCCCOCC(C)O 7a_200000210741_100011218427 [0,1,0,0,0,0|2,0,1]=4 3068 B14R0.68 CC(C)CCCCCCCOC[C@@H](C)O 34a_200000210741_100009817552 [0,1,0,0,0,0|2,0,1]=4 3069 B14R0.68 CC(C)CCCCCCCOC[C@@H](C)O 7a_200000210741_100009817552 [0,1,0,0,0,0|2,0,1]=4 3070 B14R0.68 CC(C)CCCCCCCOC[N+](=O)[O-] 34a_200000210741_100000761209 [0,1,0,0,0,0|2,0,1]=4 3071 B14R0.68 CC(C)CCCCCCNCCC(=O)N 2230a_100000211014_100000744528 [0,1,0,0,0,0|2,0,0]=3 3072 B14R0.68 CC(C)CCCCCCNCCC(=O)N 34a_100000211014_100000731001 [0,1,0,0,0,0|2,0,0]=3 3073 B14R0.68 CC(C)CCCCCCNCCC(C)O 2230a_100000211014_100012276601 [0,1,0,0,0,0|2,0,1]=4 3074 B14R0.68 CC(C)CCCCCCNCCC(C)O 34a_100000211014_100012276601 [0,1,0,0,0,0|2,0,1]=4 3075 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100000739312_100000210682 [0,1,0,0,0,0|2,0,0]=3 3076 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100011290863_100102525003 [0,1,0,0,0,0|2,0,0]=3 3077 B14R0.68 CC(C)CCCCCNCCCC(C)O 2230a_100011290863_200000718107 [0,1,0,0,0,0|2,0,1]=4 3078 B14R0.68 CC(C)CCCCCNCCCC(C)O 34a_100011290863_200000718107 [0,1,0,0,0,0|2,0,1]=4 3079 B14R0.68 CC(C)CCCCCNCCCS(=O)C 2230a_200000753449_100000210682 [0,1,0,0,0,0|3,0,0]=4 3080 B14R0.68 CC(C)CCCCCNCCNC(=O)N 2230a_100011290863_200000034859 [0,1,0,0,0,0|3,0,0]=4 3081 B14R0.68 CC(C)CCCCCNCCNC(=O)N 34a_100020590234_100000210682 [0,1,0,0,0,0|3,0,0]=4 3082 B14R0.68 CC(C)CCCCCNCCOC(=O)N 34a_100011290863_200011214921 [0,1,0,0,0,0|3,0,0]=4 3083 B14R0.68 CC(C)CCCCCOCCCC(=O)N 34a_100011995859_100102525003 [0,1,0,0,0,0|2,0,0]=3 3084 B14R0.68 CC(C)CCCCCOCCCC(=O)N 7a_100011995859_100102525003 [0,1,0,0,0,0|2,0,0]=3 3085 B14R0.68 CC(C)CCCCCOCCCC(C)O 34a_100011995859_200000718107 [0,1,0,0,0,0|2,0,1]=4 3086 B14R0.68 CC(C)CCCCCOCCCC(C)O 7a_100011995859_200000718107 [0,1,0,0,0,0|2,0,1]=4 3087 B14R0.68 CC(C)CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210682 [0,1,0,0,0,0|2,0,1]=4 3088 B14R0.68 CC(C)CCCCCOCCNC(=O)N 34a_100000181757_100000210682 [0,1,0,0,0,0|3,0,0]=4 3089 B14R0.68 CC(C)CCCCCOCCNC(=O)N 7a_100011995859_200000034859 [0,1,0,0,0,0|3,0,0]=4 3090 B14R0.68 CC(C)CCCCCOCCOC(=O)N 34a_100011995859_200011214921 [0,1,0,0,0,0|3,0,0]=4 3091 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100000766696_100000210682 [0,1,0,0,0,0|3,0,0]=4 3092 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100011995859_200011214921 [0,1,0,0,0,0|3,0,0]=4 3093 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100000210682_100102525003 [0,1,0,0,0,0|2,0,0]=3 3094 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100102525003_100000210682 [0,1,0,0,0,0|2,0,0]=3 3095 B14R0.68 CC(C)CCCCCSCCCC(C)O 62a_100000210682_200000718107 [0,1,0,0,0,0|2,0,1]=4 3096 B14R0.68 CC(C)CCCCCSCCCC(C)O 62a_200000718107_100000210682 [0,1,0,0,0,0|2,0,1]=4 3097 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_100000210682_200000034859 [0,1,0,0,0,0|3,0,0]=4 3098 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_200000034859_100000210682 [0,1,0,0,0,0|3,0,0]=4 3099 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_100000210682_200011214921 [0,1,0,0,0,0|3,0,0]=4 3100 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_200011214921_100000210682 [0,1,0,0,0,0|3,0,0]=4 3101 B14R0.68 CC(C)CCCCNCCCCC(=O)N 34a_100000696515_100011216152 [0,1,0,0,0,0|2,0,0]=3 3102 B14R0.68 CC(C)CCCCNCCOCC(=O)O 269956a_100000700818_100011216152 [0,1,0,0,0,0|2,0,0]=3 3103 B14R0.68 CC(C)CCCCOCCCCB(O)O 34a_100011214890_200009817182 [0,1,0,0,0,0|2,0,1]=4 3104 B14R0.68 CC(C)CCCCOCCCCB(O)O 7a_100011214890_200009817182 [0,1,0,0,0,0|2,0,1]=4 3105 B14R0.68 CC(C)CCCCOCCCCC(=O)N 34a_100012022536_100011216152 [0,1,0,0,0,0|2,0,0]=3 3106 B14R0.68 CC(C)CCCCOCCCCC(=O)N 7a_100012022536_100011216152 [0,1,0,0,0,0|2,0,0]=3 3107 B14R0.68 CC(C)CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011216152 [0,1,0,0,0,0|2,0,1]=4 3108 B14R0.68 CC(C)CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011216152 [0,1,0,0,0,0|2,0,1]=4 3109 B14R0.68 CC(C)CCCCOCCOCC(=O)N 34a_100011214890_100000076697 [0,1,0,0,0,0|3,0,0]=4 3110 B14R0.68 CC(C)CCCCOCCOCC(=O)N 7a_100011214890_100000076697 [0,1,0,0,0,0|3,0,0]=4 3111 B14R0.68 CC(C)CCCCSCCCCB(O)O 62a_100011216152_200009817182 [0,1,0,0,0,0|2,0,1]=4 3112 B14R0.68 CC(C)CCCCSCCCCB(O)O 62a_200009817182_100011216152 [0,1,0,0,0,0|2,0,1]=4 3113 B14R0.68 CC(C)CCCCSCCOCC(=O)N 62a_100000076697_100011216152 [0,1,0,0,0,0|3,0,0]=4 3114 B14R0.68 CC(C)CCCCSCCOCC(=O)N 62a_100011216152_100000076697 [0,1,0,0,0,0|3,0,0]=4 3115 B14R0.68 CC(C)CCCNCCCCCB(O)O 2230a_200000737386_200009817188 [0,1,0,0,0,0|2,0,1]=4 3116 B14R0.68 CC(C)CCCNCCCCCB(O)O 34a_200000737386_200009817188 [0,1,0,0,0,0|2,0,1]=4 3117 B14R0.68 CC(C)CCCNCCCCCC(=O)N 2230a_200000737386_100009817443 [0,1,0,0,0,0|2,0,0]=3 3118 B14R0.68 CC(C)CCCNCCCCCC(=O)N 34a_200000737386_100009817443 [0,1,0,0,0,0|2,0,0]=3 3119 B14R0.68 CC(C)CCCOCCCCCB(O)O 34a_100000210774_200009817188 [0,1,0,0,0,0|2,0,1]=4 3120 B14R0.68 CC(C)CCCOCCCCCB(O)O 7a_100000210774_200009817188 [0,1,0,0,0,0|2,0,1]=4 3121 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000123541_100011214892 [0,1,0,0,0,0|2,0,0]=3 3122 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000210774_100009817443 [0,1,0,0,0,0|2,0,0]=3 3123 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000123541_100011214892 [0,1,0,0,0,0|2,0,0]=3 3124 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000210774_100009817443 [0,1,0,0,0,0|2,0,0]=3 3125 B14R0.68 CC(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011214892 [0,1,0,0,0,0|1,0,1]=3 3126 B14R0.68 CC(C)CCCSCCCCCB(O)O 62a_100011214892_200009817188 [0,1,0,0,0,0|2,0,1]=4 3127 B14R0.68 CC(C)CCCSCCCCCB(O)O 62a_200009817188_100011214892 [0,1,0,0,0,0|2,0,1]=4 3128 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100009817443_100011214892 [0,1,0,0,0,0|2,0,0]=3 3129 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100011214892_100009817443 [0,1,0,0,0,0|2,0,0]=3 3130 B14R0.68 CC(C)CCOCCCCCCB(O)O 34a_100000210254_100009817187 [0,1,0,0,0,0|2,0,1]=4 3131 B14R0.68 CC(C)CCOCCCCCCB(O)O 7a_100000210254_100009817187 [0,1,0,0,0,0|2,0,1]=4 3132 B14R0.68 CC(C)CCSCCCCCCB(O)O 62a_100000210312_100009817187 [0,1,0,0,0,0|2,0,1]=4 3133 B14R0.68 CC(C)CCSCCCCCCB(O)O 62a_100009817187_100000210312 [0,1,0,0,0,0|2,0,1]=4 3134 B14R0.68 CC(C)CNCCOCCOCC(=O)O 269956a_100009854275_100000210760 [0,1,0,0,0,0|3,0,0]=4 3135 B14R0.68 CC(C)COCCCNCCCC(=O)N 34a_100000205972_100102525003 [0,1,0,0,0,0|3,0,0]=4 3136 B14R0.68 CC(C)NCCCCCOCCC(=O)N 34a_100011629493_100000731001 [0,1,0,0,0,0|3,0,0]=4 3137 B14R0.68 CC(C)NCCCCOCCCC(=O)N 34a_100011521146_100102525003 [0,1,0,0,0,0|3,0,0]=4 3138 B14R0.68 CC(C)NCCOCCCCCC(=O)N 34a_100000224655_100009817443 [0,1,0,0,0,0|3,0,0]=4 3139 B14R0.68 CC(C)OCCNCCCCCC(=O)N 2230a_100000701111_100009817443 [0,1,0,0,0,0|3,0,0]=4 3140 B14R0.68 CC(C)OCCNCCCCCC(=O)N 34a_100000701111_100009817443 [0,1,0,0,0,0|3,0,0]=4 3141 B14R0.68 CC(C)OCCOCCCCCC(=O)N 34a_100000123541_100000211751 [0,1,0,0,0,0|3,0,0]=4 3142 B14R0.68 CC(C)OCCOCCCCCC(=O)N 34a_100000211219_100009817443 [0,1,0,0,0,0|3,0,0]=4 3143 B14R0.68 CC(C)OCCOCCCCCC(=O)N 7a_100000123541_100000211751 [0,1,0,0,0,0|3,0,0]=4 3144 B14R0.68 CC(C)OCCOCCCCCC(=O)N 7a_100000211219_100009817443 [0,1,0,0,0,0|3,0,0]=4 3145 B14R0.68 CC(C)OCCOCCCCCC(=O)[O-] 7a_100102619762_100000211751 [0,1,0,0,0,0|2,0,1]=4 3146 B14R0.68 CC(C)OCCSCCCCCC(=O)N 62a_100000211751_100009817443 [0,1,0,0,0,0|3,0,0]=4 3147 B14R0.68 CC(C)OCCSCCCCCC(=O)N 62a_100009817443_100000211751 [0,1,0,0,0,0|3,0,0]=4 3148 B14R0.68 CC(C)SCCNCCCCCC(=O)N 2230a_100000731138_100009817443 [0,1,0,0,0,0|3,0,0]=4 3149 B14R0.68 CC(C)SCCNCCCCCC(=O)N 34a_100000731138_100009817443 [0,1,0,0,0,0|3,0,0]=4 3150 B14R0.68 CC(C)SCCOCCCCCC(=O)N 34a_100000123541_100000730970 [0,1,0,0,0,0|3,0,0]=4 3151 B14R0.68 CC(C)SCCOCCCCCC(=O)N 34a_200011212901_100009817443 [0,1,0,0,0,0|3,0,0]=4 3152 B14R0.68 CC(C)SCCOCCCCCC(=O)N 7a_100000123541_100000730970 [0,1,0,0,0,0|3,0,0]=4 3153 B14R0.68 CC(C)SCCOCCCCCC(=O)N 7a_200011212901_100009817443 [0,1,0,0,0,0|3,0,0]=4 3154 B14R0.68 CC(C)SCCOCCCCCC(=O)[O-] 7a_100102619762_100000730970 [0,1,0,0,0,0|2,0,1]=4 3155 B14R0.68 CC(C)SCCSCCCCCC(=O)N 62a_100000730970_100009817443 [0,1,0,0,0,0|3,0,0]=4 3156 B14R0.68 CC(C)SCCSCCCCCC(=O)N 62a_100009817443_100000730970 [0,1,0,0,0,0|3,0,0]=4 3157 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [0,1,0,0,0,0|2,0,0]=3 3158 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [0,1,0,0,0,0|2,0,0]=3 3159 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [0,1,0,0,0,0|1,0,1]=3 3160 B14R0.68 CC(O)CCCSCCCCCB(O)O 62a_200000718107_200009817188 [0,1,0,0,0,0|2,0,1]=4 3161 B14R0.68 CC(O)CCCSCCCCCB(O)O 62a_200009817188_200000718107 [0,1,0,0,0,0|2,0,1]=4 3162 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [0,1,0,0,0,0|2,0,0]=3 3163 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [0,1,0,0,0,0|2,0,0]=3 3164 B14R0.68 CC(O)CCNCCCCCCB(O)O 2230a_200000755665_100009817187 [0,1,0,0,0,0|2,0,1]=4 3165 B14R0.68 CC(O)CCSCCCCCCB(O)O 62a_100009817187_100012276601 [0,1,0,0,0,0|2,0,1]=4 3166 B14R0.68 CC(O)CCSCCCCCCB(O)O 62a_100012276601_100009817187 [0,1,0,0,0,0|2,0,1]=4 3167 B14R0.68 CC(O)CNCCOCCOCC(=O)O 269956a_100009854275_100011218427 [0,1,0,0,0,0|3,0,0]=4 3168 B14R0.68 CN(C)CCCCNCCOCC(=O)O 269956a_100000700818_100000690147 [0,1,0,0,0,0|3,0,0]=4 3169 B14R0.68 CN(C)CCCOCCCCCC(=O)N 7a_100000123541_100000757444 [0,1,0,0,0,0|3,0,0]=4 3170 B14R0.68 CN(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100000757444 [0,1,0,0,0,0|2,0,1]=4 3171 B14R0.68 CN(C)CCCSCCCCCC(=O)N 62a_100009817443_100000757444 [0,1,0,0,0,0|3,0,0]=4 3172 B14R0.68 CS(=O)CCCNCCCCCC(=O)N 2230a_200000753449_100009817443 [0,1,0,0,0,0|3,0,0]=4 3173 B14R0.68 C[C@@H](N)CCOCCCCCCB(O)O 34a_100000706166_100009817187 [0,1,0,0,0,0|2,0,1]=4 3174 B14R0.68 C[C@@H](O)CNCCOCCOCC(=O)O 269956a_100009854275_100009817552 [0,1,0,0,0,0|3,0,0]=4 3175 B14R0.88 CCCCCCCCCCNS(=O)(=O)C 40a_100000684558_100000738038 [0,1,0,0,0,0|2,0,1]=4 3176 B14R0.88 CCCCCCCCCNCC(C)(C)O 2230a_100000751335_100011214924 [0,1,0,0,0,0|2,0,1]=4 3177 B14R0.88 CCCCCCCCCNCC(C)(C)O 34a_100000212291_100000764493 [0,1,0,0,0,0|2,0,1]=4 3178 B14R0.88 CCCCCCCCCNCS(=O)(=O)[O-] 34a_100000212291_100009817235 [0,1,0,0,0,0|2,0,1]=4 3179 B14R0.88 CCCCCCCCCOCC(C)(C)O 34a_100000210712_100000764493 [0,1,0,0,0,0|2,0,1]=4 3180 B14R0.88 CCCCCCCCCOCC(C)(C)O 7a_100000210712_100000764493 [0,1,0,0,0,0|2,0,1]=4 3181 B14R0.88 CCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210712_100009817235 [0,1,0,0,0,0|2,0,1]=4 3182 B14R0.88 CCCCCCCCCSCC(C)(C)O 62a_100000764493_100000210670 [0,1,0,0,0,0|2,0,1]=4 3183 B14R0.88 CCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210670 [0,1,0,0,0,0|2,0,1]=4 3184 B14R0.88 CCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210670 [0,1,0,0,0,0|2,0,1]=4 3185 B14R0.88 CCCCCCCCNCCC(C)(C)O 2230a_100000229939_100000702414 [0,1,0,0,0,0|2,0,1]=4 3186 B14R0.88 CCCCCCCCNCCC(C)(C)O 34a_100000229939_100000702414 [0,1,0,0,0,0|2,0,1]=4 3187 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 2230a_100000229939_100000731031 [0,1,0,0,0,0|2,0,1]=4 3188 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210759 [0,1,0,0,0,0|2,0,1]=4 3189 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 34a_100000229939_100000731031 [0,1,0,0,0,0|2,0,1]=4 3190 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210759 [0,1,0,0,0,0|2,0,1]=4 3191 B14R0.88 CCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210759 [0,1,0,0,0,0|2,0,1]=4 3192 B14R0.88 CCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210759 [0,1,0,0,0,0|2,0,1]=4 3193 B14R0.88 CCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000229939_100000737633 [0,1,0,0,0,0|2,0,1]=4 3194 B14R0.88 CCCCCCCCNCCS(=O)(=O)[O-] 34a_100000229939_100000762736 [0,1,0,0,0,0|2,0,1]=4 3195 B14R0.88 CCCCCCCCOCCC(C)(C)O 34a_100000210232_100000702414 [0,1,0,0,0,0|2,0,1]=4 3196 B14R0.88 CCCCCCCCOCCC(C)(C)O 7a_100000210232_100000702414 [0,1,0,0,0,0|2,0,1]=4 3197 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 34a_100000210232_100000731031 [0,1,0,0,0,0|2,0,1]=4 3198 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210759 [0,1,0,0,0,0|2,0,1]=4 3199 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 7a_100000210232_100000230027 [0,1,0,0,0,0|2,0,1]=4 3200 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210759 [0,1,0,0,0,0|2,0,1]=4 3201 B14R0.88 CCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210759 [0,1,0,0,0,0|2,0,1]=4 3202 B14R0.88 CCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210232_100000762736 [0,1,0,0,0,0|2,0,1]=4 3203 B14R0.88 CCCCCCCCSCCC(C)(C)O 62a_100000210759_100000702414 [0,1,0,0,0,0|2,0,1]=4 3204 B14R0.88 CCCCCCCCSCCC(C)(C)O 62a_100000702414_100000210317 [0,1,0,0,0,0|2,0,1]=4 3205 B14R0.88 CCCCCCCCSCCS(=O)(=O)C 62a_100000210759_100000230027 [0,1,0,0,0,0|2,0,1]=4 3206 B14R0.88 CCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210317 [0,1,0,0,0,0|2,0,1]=4 3207 B14R0.88 CCCCCCCCSCCS(=O)(=O)[O-] 62a_100000210759_100000762736 [0,1,0,0,0,0|2,0,1]=4 3208 B14R0.88 CCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210317 [0,1,0,0,0,0|2,0,1]=4 3209 B14R0.88 CCCCCCCNCCCC(C)(C)O 2230a_100000229938_100009888830 [0,1,0,0,0,0|2,0,1]=4 3210 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 2230a_100000229938_100000754308 [0,1,0,0,0,0|2,0,1]=4 3211 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210681 [0,1,0,0,0,0|2,0,1]=4 3212 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210614 [0,1,0,0,0,0|2,0,1]=4 3213 B14R0.88 CCCCCCCNCCCS(=O)(=O)N 2230a_100000229938_100000750626 [0,1,0,0,0,0|2,0,1]=4 3214 B14R0.88 CCCCCCCOCCCC(C)(C)O 34a_100000210272_100009888830 [0,1,0,0,0,0|2,0,1]=4 3215 B14R0.88 CCCCCCCOCCCC(C)(C)O 7a_100000210272_100009888830 [0,1,0,0,0,0|2,0,1]=4 3216 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 34a_100000210272_100000754308 [0,1,0,0,0,0|2,0,1]=4 3217 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210614 [0,1,0,0,0,0|2,0,1]=4 3218 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 7a_100000210272_100000754308 [0,1,0,0,0,0|2,0,1]=4 3219 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210614 [0,1,0,0,0,0|2,0,1]=4 3220 B14R0.88 CCCCCCCOCCCS(=O)(=O)N 34a_100000210272_100000750626 [0,1,0,0,0,0|2,0,1]=4 3221 B14R0.88 CCCCCCCOCCCS(=O)(=O)N 7a_100000210272_100000750626 [0,1,0,0,0,0|2,0,1]=4 3222 B14R0.88 CCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210272_100009813499 [0,1,0,0,0,0|2,0,1]=4 3223 B14R0.88 CCCCCCCSCCCC(C)(C)O 62a_100000210614_100009888830 [0,1,0,0,0,0|2,0,1]=4 3224 B14R0.88 CCCCCCCSCCCC(C)(C)O 62a_100009888830_100000210316 [0,1,0,0,0,0|2,0,1]=4 3225 B14R0.88 CCCCCCCSCCCS(=O)(=O)C 62a_100000210614_100000754308 [0,1,0,0,0,0|2,0,1]=4 3226 B14R0.88 CCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210316 [0,1,0,0,0,0|2,0,1]=4 3227 B14R0.88 CCCCCCCSCCCS(=O)(=O)N 62a_100000210614_100000750626 [0,1,0,0,0,0|2,0,1]=4 3228 B14R0.88 CCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210316 [0,1,0,0,0,0|2,0,1]=4 3229 B14R0.88 CCCCCCCSCCCS(=O)(=O)[O-] 62a_100000210614_100009813499 [0,1,0,0,0,0|2,0,1]=4 3230 B14R0.88 CCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210316 [0,1,0,0,0,0|2,0,1]=4 3231 B14R0.88 CCCCCNCCCCCC(C)(C)O 2230a_100000209983_100010402123 [0,1,0,0,0,0|2,0,1]=4 3232 B14R0.88 CCCCCOCCCCCC(C)(C)O 34a_100000210253_100010402123 [0,1,0,0,0,0|2,0,1]=4 3233 B14R0.88 CCCCCOCCCCCC(C)(C)O 7a_100000210253_100010402123 [0,1,0,0,0,0|2,0,1]=4 3234 B14R0.88 CCCCCSCCCCCC(C)(C)O 62a_100000210326_100010402123 [0,1,0,0,0,0|2,0,1]=4 3235 B14R0.88 CCCCCSCCCCCC(C)(C)O 62a_100010402123_100000210326 [0,1,0,0,0,0|2,0,1]=4 3236 B14R0.153 C=C(C)COCCCCC(C)CCCC 34a_200011021034_100000748629 [0,1,0,0,0,0|3,0,0]=4 3237 B14R0.153 C=C(C)COCCCCC(C)CCCC 7a_200011021034_100000748629 [0,1,0,0,0,0|3,0,0]=4 3238 B14R0.153 C=C(F)COCCCCC(C)CCCC 34a_200011021034_100009893438 [0,1,0,0,0,0|3,0,0]=4 3239 B14R0.153 C=C(F)COCCCCC(C)CCCC 7a_200011021034_100000042424 [0,1,0,0,0,0|3,0,0]=4 3240 B14R0.153 CC(=O)CCCCNC[C@H](C)CCCO 34a_100160569302_100009817362 [0,1,0,0,0,0|3,0,0]=4 3241 B14R0.153 CC(CCCCl)OCCCCCC(=O)N 34a_200000718107_100009817443 [0,1,0,0,0,0|3,0,0]=4 3242 B14R0.153 CC(CCCCl)OCCCCCC(=O)N 7a_200000718107_100009817443 [0,1,0,0,0,0|3,0,0]=4 3243 B14R0.153 CCCCC(=O)CCCCCCB(O)O 1458a_100000210183_100009817187 [0,1,0,0,0,0|1,0,2]=4 3244 B14R0.153 CCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210211 [0,1,0,0,0,0|2,0,1]=4 3245 B14R0.153 CCCCC(=O)CCCCCOC(=O)C 1458a_100000210183_100000033007 [0,1,0,0,0,0|2,0,1]=4 3246 B14R0.153 CCCCC(C)CCCCOCC(=O)N 34a_200011021034_100000187820 [0,1,0,0,0,0|2,0,0]=3 3247 B14R0.153 CCCCC(C)CCCCOCC(=O)N 7a_200011021034_100000187820 [0,1,0,0,0,0|2,0,0]=3 3248 B14R0.153 CCCCC(C)CCCCOCC(=O)[O-] 34a_200011021034_100020667443 [0,1,0,0,0,0|1,0,1]=3 3249 B14R0.153 CCCCC(C)CCCCOCC(C)O 34a_200011021034_100011218427 [0,1,0,0,0,0|2,0,1]=4 3250 B14R0.153 CCCCC(C)CCCCOCC(C)O 7a_200011021034_100011218427 [0,1,0,0,0,0|2,0,1]=4 3251 B14R0.153 CCCCC(C)CCCCOC[C@@H](C)O 34a_200011021034_100009817552 [0,1,0,0,0,0|2,0,1]=4 3252 B14R0.153 CCCCC(C)CCCCOC[C@@H](C)O 7a_200011021034_100009817552 [0,1,0,0,0,0|2,0,1]=4 3253 B14R0.153 CCCCC(C)CCCCOC[N+](=O)[O-] 34a_200011021034_100000761209 [0,1,0,0,0,0|2,0,1]=4 3254 B14R0.153 CCCCC(C)COCCCCB(O)O 34a_100011995851_200009817182 [0,1,0,0,0,0|2,0,1]=4 3255 B14R0.153 CCCCC(C)COCCCCB(O)O 7a_100011995851_200009817182 [0,1,0,0,0,0|2,0,1]=4 3256 B14R0.153 CCCCC(C)COCCCCC(=O)C 34a_100011995851_100009817362 [0,1,0,0,0,0|2,0,0]=3 3257 B14R0.153 CCCCC(C)COCCCCC(=O)C 7a_100011995851_100000735457 [0,1,0,0,0,0|2,0,0]=3 3258 B14R0.153 CCCCC(C)COCCCOC(=O)C 34a_100011995851_100000042594 [0,1,0,0,0,0|3,0,0]=4 3259 B14R0.153 CCCCC(C)COCCCOC(=O)C 7a_100011995851_100000042594 [0,1,0,0,0,0|3,0,0]=4 3260 B14R0.153 CCCCC(C)COCCCSC(=O)C 34a_100011995851_100000038929 [0,1,0,0,0,0|3,0,0]=4 3261 B14R0.153 CCCCC(C)COCCCSC(=O)C 7a_100011995851_100000038929 [0,1,0,0,0,0|3,0,0]=4 3262 B14R0.153 CCCCC(C)COCCOCC(=O)N 34a_100011995851_100000076697 [0,1,0,0,0,0|3,0,0]=4 3263 B14R0.153 CCCCC(C)COCCOCC(=O)N 7a_100011995851_100000076697 [0,1,0,0,0,0|3,0,0]=4 3264 B14R0.153 CCCCC(C)NCCCCCB(O)O 2230a_100000126638_200009817188 [0,1,0,0,0,0|2,0,1]=4 3265 B14R0.153 CCCCC(C)NCCCCCC(=O)N 2230a_100000126638_100009817443 [0,1,0,0,0,0|2,0,0]=3 3266 B14R0.153 CCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011215066 [0,1,0,0,0,0|3,0,0]=4 3267 B14R0.153 CCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000210087 [0,1,0,0,0,0|3,0,0]=4 3268 B14R0.153 CCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011215066 [0,1,0,0,0,0|3,0,0]=4 3269 B14R0.153 CCCCC(C)NCCCCSC(=O)C 2230a_100000126638_200010402107 [0,1,0,0,0,0|3,0,0]=4 3270 B14R0.153 CCCCC(C)OCCCCCB(O)O 34a_100000687866_200009817188 [0,1,0,0,0,0|2,0,1]=4 3271 B14R0.153 CCCCC(C)OCCCCCB(O)O 7a_100000687866_200009817188 [0,1,0,0,0,0|2,0,1]=4 3272 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011215066 [0,1,0,0,0,0|2,0,0]=3 3273 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000687866_100009817443 [0,1,0,0,0,0|2,0,0]=3 3274 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011215066 [0,1,0,0,0,0|2,0,0]=3 3275 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000687866_100009817443 [0,1,0,0,0,0|2,0,0]=3 3276 B14R0.153 CCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011215066 [0,1,0,0,0,0|1,0,1]=3 3277 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011215066 [0,1,0,0,0,0|3,0,0]=4 3278 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000687866_100000033659 [0,1,0,0,0,0|3,0,0]=4 3279 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011215066 [0,1,0,0,0,0|3,0,0]=4 3280 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000687866_100000033659 [0,1,0,0,0,0|3,0,0]=4 3281 B14R0.153 CCCCC(C)OCCCCSC(=O)C 34a_100000687866_200010402107 [0,1,0,0,0,0|3,0,0]=4 3282 B14R0.153 CCCCC(C)OCCCCSC(=O)C 7a_100000687866_200010402107 [0,1,0,0,0,0|3,0,0]=4 3283 B14R0.153 CCCCC(C)SCCCCCB(O)O 62a_200009817188_200011215066 [0,1,0,0,0,0|2,0,1]=4 3284 B14R0.153 CCCCC(C)SCCCCCB(O)O 62a_200011215066_200009817188 [0,1,0,0,0,0|2,0,1]=4 3285 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011215066 [0,1,0,0,0,0|2,0,0]=3 3286 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_200011215066_100009817443 [0,1,0,0,0,0|2,0,0]=3 3287 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011215066 [0,1,0,0,0,0|3,0,0]=4 3288 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_200011215066_100000033659 [0,1,0,0,0,0|3,0,0]=4 3289 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011215066 [0,1,0,0,0,0|3,0,0]=4 3290 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200011215066_200010402107 [0,1,0,0,0,0|3,0,0]=4 3291 B14R0.153 CCCCN(C)CCCCCCB(O)O 2230a_100000207549_100009817187 [0,1,0,0,0,0|2,0,1]=4 3292 B14R0.153 CCCCN(C)CCCCCCB(O)O 269982a_100000207549_100009817187 [0,1,0,0,0,0|2,0,1]=4 3293 B14R0.153 CCCCN(C)CCCCCOC(=O)C 2230a_100000207549_100009813381 [0,1,0,0,0,0|3,0,0]=4 3294 B14R0.153 CCCCN(C)CCCCCOC(=O)C 269982a_100000207549_100000033007 [0,1,0,0,0,0|3,0,0]=4 3295 B14R0.153 CCCC[C@H](N)COCCCCB(O)O 34a_100011934283_200009817182 [0,1,0,0,0,0|2,0,1]=4 3296 B14R0.153 CCCC[C@H](N)COCCCCC(=O)C 34a_100011934283_100009817362 [0,1,0,0,0,0|2,0,0]=3 3297 B14R0.153 CCCC[C@H](N)COCCCOC(=O)C 34a_100011934283_100000042594 [0,1,0,0,0,0|3,0,0]=4 3298 B14R0.153 CCCC[C@H](N)COCCCSC(=O)C 34a_100011934283_100000038929 [0,1,0,0,0,0|3,0,0]=4 3299 B14R0.153 CCCC[C@H](N)COCCOCC(=O)N 34a_100011934283_100000076697 [0,1,0,0,0,0|3,0,0]=4 3300 B14R0.153 CCCOC(C)CNCCCCC(=O)C 34a_100015185124_100009817362 [0,1,0,0,0,0|3,0,0]=4 3301 B14R0.153 CCOCC(C)OCCCCCC(=O)N 34a_100000718985_100009817443 [0,1,0,0,0,0|3,0,0]=4 3302 B14R0.153 CCOCC(C)OCCCCCC(=O)N 7a_100000718985_100009817443 [0,1,0,0,0,0|3,0,0]=4 3303 B14R0.153 CCOCC(O)CNCCCCC(=O)C 34a_102515437182_100009817362 [0,1,0,0,0,0|3,0,0]=4 3304 B14R0.153 CSCC[C@H](N)COCCCCC(=O)C 34a_100011827619_100009817362 [0,1,0,0,0,0|3,0,0]=4 3305 B14R0.231 CC(=O)CCCOC[C@@H](N)CCCCN 34a_100016993712_100000685027 [0,1,0,0,0,0|3,0,0]=4 3306 B14R0.231 CCCCCC(=O)CCCCCB(O)O 1458a_100000212188_200009817188 [0,1,0,0,0,0|1,0,2]=4 3307 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [0,1,0,0,0,0|1,0,1]=3 3308 B14R0.231 CCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210326 [0,1,0,0,0,0|1,0,2]=4 3309 B14R0.231 CCCCCC(=O)CCCCOC(=O)C 1458a_100000212188_100000033659 [0,1,0,0,0,0|2,0,1]=4 3310 B14R0.231 CCCCCC(=O)CCCCSC(=O)C 1458a_100000212188_200010402107 [0,1,0,0,0,0|2,0,1]=4 3311 B14R0.231 CCCCCC(=O)CNCCCC(=O)N 34a_100000739312_200012276598 [0,1,0,0,0,0|2,0,1]=4 3312 B14R0.231 CCCCCC(=O)COCCCC(=O)C 34a_100000759063_200012276598 [0,1,0,0,0,0|2,0,1]=4 3313 B14R0.231 CCCCCC(=O)COCCCC(=O)C 7a_100000759063_200012276598 [0,1,0,0,0,0|2,0,1]=4 3314 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_100011215641_200012276598 [0,1,0,0,0,0|2,0,1]=4 3315 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_200012276598_100011215641 [0,1,0,0,0,0|2,0,1]=4 3316 B14R0.231 CCCCCC(=O)CSCCCC(=O)N 62a_100102525003_200012276598 [0,1,0,0,0,0|2,0,1]=4 3317 B14R0.231 CCCCCC(=O)CSCCCC(=O)N 62a_200012276598_100102525003 [0,1,0,0,0,0|2,0,1]=4 3318 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000212188 [0,1,0,0,0,0|2,0,1]=4 3319 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000212188 [0,1,0,0,0,0|2,0,1]=4 3320 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000212188 [0,1,0,0,0,0|2,0,1]=4 3321 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000212188 [0,1,0,0,0,0|2,0,1]=4 3322 B14R0.231 CCCCCC(C)NCCCCB(O)O 2230a_100000211957_200009817182 [0,1,0,0,0,0|2,0,1]=4 3323 B14R0.231 CCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211708 [0,1,0,0,0,0|2,0,0]=3 3324 B14R0.231 CCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218191 [0,1,0,0,0,0|2,0,0]=3 3325 B14R0.231 CCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211708 [0,1,0,0,0,0|3,0,0]=4 3326 B14R0.231 CCCCCC(C)NCCCNC(=O)C 34a_100000736810_200011218191 [0,1,0,0,0,0|3,0,0]=4 3327 B14R0.231 CCCCCC(C)NCCCSC(=O)C 2230a_100000211957_100000038929 [0,1,0,0,0,0|3,0,0]=4 3328 B14R0.231 CCCCCC(C)NCCOCC(=O)N 2230a_100000211957_100000076697 [0,1,0,0,0,0|3,0,0]=4 3329 B14R0.231 CCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218191 [0,1,0,0,0,0|2,0,0]=3 3330 B14R0.231 CCCCCC(C)OCCCCB(O)O 34a_100011215632_200009817182 [0,1,0,0,0,0|2,0,1]=4 3331 B14R0.231 CCCCCC(C)OCCCCB(O)O 7a_100011215632_200009817182 [0,1,0,0,0,0|2,0,1]=4 3332 B14R0.231 CCCCCC(C)OCCCCC(=O)C 34a_100011215632_100009817362 [0,1,0,0,0,0|2,0,0]=3 3333 B14R0.231 CCCCCC(C)OCCCCC(=O)C 7a_100011215632_100000735457 [0,1,0,0,0,0|2,0,0]=3 3334 B14R0.231 CCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218191 [0,1,0,0,0,0|2,0,0]=3 3335 B14R0.231 CCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218191 [0,1,0,0,0,0|2,0,0]=3 3336 B14R0.231 CCCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_200011218191 [0,1,0,0,0,0|2,0,1]=4 3337 B14R0.231 CCCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_200011218191 [0,1,0,0,0,0|2,0,1]=4 3338 B14R0.231 CCCCCC(C)OCCCNC(=O)C 34a_100000752032_200011218191 [0,1,0,0,0,0|3,0,0]=4 3339 B14R0.231 CCCCCC(C)OCCCOC(=O)C 34a_100011215632_100000042594 [0,1,0,0,0,0|3,0,0]=4 3340 B14R0.231 CCCCCC(C)OCCCOC(=O)C 7a_100011215632_100000042594 [0,1,0,0,0,0|3,0,0]=4 3341 B14R0.231 CCCCCC(C)OCCCSC(=O)C 34a_100011215632_100000038929 [0,1,0,0,0,0|3,0,0]=4 3342 B14R0.231 CCCCCC(C)OCCCSC(=O)C 7a_100011215632_100000038929 [0,1,0,0,0,0|3,0,0]=4 3343 B14R0.231 CCCCCC(C)OCCOCC(=O)N 34a_100011215632_100000076697 [0,1,0,0,0,0|3,0,0]=4 3344 B14R0.231 CCCCCC(C)OCCOCC(=O)N 7a_100011215632_100000076697 [0,1,0,0,0,0|3,0,0]=4 3345 B14R0.231 CCCCCC(C)SCCCCB(O)O 62a_200009817182_200011218191 [0,1,0,0,0,0|2,0,1]=4 3346 B14R0.231 CCCCCC(C)SCCCCB(O)O 62a_200011218191_200009817182 [0,1,0,0,0,0|2,0,1]=4 3347 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218191 [0,1,0,0,0,0|2,0,0]=3 3348 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_200011218191_100000735457 [0,1,0,0,0,0|2,0,0]=3 3349 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_100000042594_200011218191 [0,1,0,0,0,0|3,0,0]=4 3350 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_200011218191_100000042594 [0,1,0,0,0,0|3,0,0]=4 3351 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_100000038929_200011218191 [0,1,0,0,0,0|3,0,0]=4 3352 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_200011218191_100000038929 [0,1,0,0,0,0|3,0,0]=4 3353 B14R0.231 CCCCCC(C)SCCOCC(=O)N 62a_100000076697_200011218191 [0,1,0,0,0,0|3,0,0]=4 3354 B14R0.231 CCCCCC(C)SCCOCC(=O)N 62a_200011218191_100000076697 [0,1,0,0,0,0|3,0,0]=4 3355 B14R0.231 CCCCCN(C)CCCCCB(O)O 2230a_100000223495_200009817188 [0,1,0,0,0,0|2,0,1]=4 3356 B14R0.231 CCCCCN(C)CCCCCB(O)O 269982a_100000223495_200009817188 [0,1,0,0,0,0|2,0,1]=4 3357 B14R0.231 CCCCCN(C)CCCCCC(=O)N 2230a_100000223495_100009817443 [0,1,0,0,0,0|2,0,0]=3 3358 B14R0.231 CCCCCN(C)CCCCCC(=O)N 269982a_100000223495_100009817443 [0,1,0,0,0,0|2,0,0]=3 3359 B14R0.231 CCCCCN(C)CCCCOC(=O)C 269982a_100000223495_100000033659 [0,1,0,0,0,0|3,0,0]=4 3360 B14R0.231 CCCCCN(C)CCCCSC(=O)C 2230a_100000223495_200010402107 [0,1,0,0,0,0|3,0,0]=4 3361 B14R0.231 CCCCCN(C)CCCCSC(=O)C 269982a_100000223495_200010402107 [0,1,0,0,0,0|3,0,0]=4 3362 B14R0.231 CCCOCC(=O)CCCCCC(=O)N 1458a_100000745993_100009817443 [0,1,0,0,0,0|2,0,1]=4 3363 B14R0.231 CCCSCC(=O)CCCCCC(=O)N 1458a_100000217233_100009817443 [0,1,0,0,0,0|2,0,1]=4 3364 B14R0.231 CCCSCC(C)NCCCCC(=O)N 270004a_100000696515_100011343953 [0,1,0,0,0,0|3,0,0]=4 3365 B14R0.231 CCOCCC(=O)CCCCCC(=O)N 1458a_100000749530_100009817443 [0,1,0,0,0,0|2,0,1]=4 3366 B14R0.231 CCOCCC(C)NCCCCC(=O)N 270004a_100000696515_200011216536 [0,1,0,0,0,0|3,0,0]=4 3367 B14R0.231 CCSCCC(=O)CCCCCC(=O)N 1458a_100000230768_100009817443 [0,1,0,0,0,0|2,0,1]=4 3368 B14R0.231 CN(CCCCO)CCCCCC(=O)N 2230a_100000717598_100009817443 [0,1,0,0,0,0|3,0,0]=4 3369 B14R0.231 CN(CCCCO)CCCCCC(=O)N 269982a_100000717598_100009817443 [0,1,0,0,0,0|3,0,0]=4 3370 B14R0.231 COCCCC(=O)CCCCCC(=O)N 1458a_100000741012_100009817443 [0,1,0,0,0,0|2,0,1]=4 3371 B14R0.231 COCCCC(C)OCCCCC(=O)C 34a_200011539412_100009817362 [0,1,0,0,0,0|3,0,0]=4 3372 B14R0.231 COCCCC(C)OCCCCC(=O)C 7a_200011539412_100000735457 [0,1,0,0,0,0|3,0,0]=4 3373 B14R0.231 COCCCN(C)CCCCCC(=O)N 2230a_100000224831_100009817443 [0,1,0,0,0,0|3,0,0]=4 3374 B14R0.231 COCCCN(C)CCCCCC(=O)N 269982a_100000224831_100009817443 [0,1,0,0,0,0|3,0,0]=4 3375 B14R0.231 CSCCCC(=O)CCCCCC(=O)N 1458a_100000173376_100009817443 [0,1,0,0,0,0|2,0,1]=4 3376 B14R0.231 CSCCCC(C)NCCCCC(=O)N 270004a_100000696515_100011399439 [0,1,0,0,0,0|3,0,0]=4 3377 B14R0.231 NC(=O)CCCCCC(=O)CCCCO 1458a_100000695505_100009817443 [0,1,0,0,0,0|2,0,1]=4 3378 B14R0.231 NCCCC[C@H](N)COCCCC(=O)N 34a_100016993712_100102525003 [0,1,0,0,0,0|3,0,0]=4 3379 B14R0.305 C=C(C)CCOCCCCCC(C)CC 7a_200000035636_100000730704 [0,1,0,0,0,0|3,0,0]=4 3380 B14R0.305 CC(=O)CCCCOCCC[C@@H](C)CN 34a_100160569302_100009817362 [0,1,0,0,0,0|3,0,0]=4 3381 B14R0.305 CC(CO)CCNCCCCCC(=O)N 2230a_106354213184_100009817443 [0,1,0,0,0,0|3,0,0]=4 3382 B14R0.305 CC(CO)CCNCCCCCC(=O)N 34a_106354213184_100009817443 [0,1,0,0,0,0|3,0,0]=4 3383 B14R0.305 CCC(C)CCCCCOCCC(=O)C 7a_200000035636_100000053229 [0,1,0,0,0,0|2,0,0]=3 3384 B14R0.305 CCC(C)CCCCCOCCC(=O)N 7a_200000035636_100000744528 [0,1,0,0,0,0|2,0,0]=3 3385 B14R0.305 CCC(C)CCCCCOCCC(C)O 7a_200000035636_100012276601 [0,1,0,0,0,0|2,0,1]=4 3386 B14R0.305 CCC(C)CCCOCCCCB(O)O 7a_100011216074_200009817182 [0,1,0,0,0,0|2,0,1]=4 3387 B14R0.305 CCC(C)CCCOCCCCC(=O)C 7a_100011216074_100000735457 [0,1,0,0,0,0|2,0,0]=3 3388 B14R0.305 CCC(C)CCCOCCCOC(=O)C 7a_100011216074_100000042594 [0,1,0,0,0,0|3,0,0]=4 3389 B14R0.305 CCC(C)CCCOCCCSC(=O)C 7a_100011216074_100000038929 [0,1,0,0,0,0|3,0,0]=4 3390 B14R0.305 CCC(C)CCCOCCOCC(=O)N 7a_100011216074_100000076697 [0,1,0,0,0,0|3,0,0]=4 3391 B14R0.305 CCC(C)CCNCCCCCB(O)O 2230a_100020591266_200009817188 [0,1,0,0,0,0|2,0,1]=4 3392 B14R0.305 CCC(C)CCNCCCCCC(=O)N 2230a_100020591266_100009817443 [0,1,0,0,0,0|2,0,0]=3 3393 B14R0.305 CCC(C)CCNCCCCSC(=O)C 2230a_100020591266_200010402107 [0,1,0,0,0,0|3,0,0]=4 3394 B14R0.305 CCC(C)CCOCCCCCB(O)O 7a_100011215188_200009817188 [0,1,0,0,0,0|2,0,1]=4 3395 B14R0.305 CCC(C)CCOCCCCCC(=O)N 7a_100011215188_100009817443 [0,1,0,0,0,0|2,0,0]=3 3396 B14R0.305 CCC(C)CCOCCCCOC(=O)C 7a_100011215188_100000033659 [0,1,0,0,0,0|3,0,0]=4 3397 B14R0.305 CCC(C)CCOCCCCSC(=O)C 7a_100011215188_200010402107 [0,1,0,0,0,0|3,0,0]=4 3398 B14R0.305 CCC(C)CNCCCCCCB(O)O 2230a_100020588543_100009817187 [0,1,0,0,0,0|2,0,1]=4 3399 B14R0.305 CCC(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748023 [0,1,0,0,0,0|3,0,0]=4 3400 B14R0.305 CCC(C)CNCCCCCNC(=O)C 270004a_200012022750_100000243153 [0,1,0,0,0,0|3,0,0]=4 3401 B14R0.305 CCC(C)CNCCCCCNC(=O)C 34a_200012022750_100000748023 [0,1,0,0,0,0|3,0,0]=4 3402 B14R0.305 CCC(C)CNCCCCCOC(=O)C 2230a_100020588543_100009813381 [0,1,0,0,0,0|3,0,0]=4 3403 B14R0.305 CCC(C)CSCCCCCCB(O)O 62a_100000748023_100009817187 [0,1,0,0,0,0|2,0,1]=4 3404 B14R0.305 CCC(C)CSCCCCCCB(O)O 62a_100009817187_100000748023 [0,1,0,0,0,0|2,0,1]=4 3405 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000033007_100000748023 [0,1,0,0,0,0|3,0,0]=4 3406 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000748023_100000033007 [0,1,0,0,0,0|3,0,0]=4 3407 B14R0.305 CCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000758301 [0,1,0,0,0,0|3,0,0]=4 3408 B14R0.305 CCC(C)NCCCCCCNC(=O)C 34a_200011996284_100011215416 [0,1,0,0,0,0|3,0,0]=4 3409 B14R0.305 CCC(C)NCCOCCOCC(=O)O 269956a_100009854275_100000758301 [0,1,0,0,0,0|3,0,0]=4 3410 B14R0.305 CCC(O)CNCCCCCCB(O)O 2230a_100011218483_100009817187 [0,1,0,0,0,0|2,0,1]=4 3411 B14R0.305 CCC(O)CNCCCCCNC(=O)C 2230a_200012022750_100011218378 [0,1,0,0,0,0|3,0,0]=4 3412 B14R0.305 CCC(O)CNCCCCCNC(=O)C 34a_200012022750_100011218378 [0,1,0,0,0,0|3,0,0]=4 3413 B14R0.305 CCC(O)CNCCCCCOC(=O)C 2230a_100011218483_100009813381 [0,1,0,0,0,0|3,0,0]=4 3414 B14R0.305 CCC(O)CSCCCCCCB(O)O 62a_100009817187_100011218378 [0,1,0,0,0,0|2,0,1]=4 3415 B14R0.305 CCC(O)CSCCCCCCB(O)O 62a_100011218378_100009817187 [0,1,0,0,0,0|2,0,1]=4 3416 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100000033007_100011218378 [0,1,0,0,0,0|3,0,0]=4 3417 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100011218378_100000033007 [0,1,0,0,0,0|3,0,0]=4 3418 B14R0.305 CCN(C)CCCNCCOCC(=O)O 269956a_100000700818_100015186262 [0,1,0,0,0,0|3,0,0]=4 3419 B14R0.305 CCN(C)CCCOCCCCC(=O)N 7a_100012022536_100015186262 [0,1,0,0,0,0|3,0,0]=4 3420 B14R0.305 CCN(C)CCCSCCCCC(=O)C 62a_100000735457_100015186262 [0,1,0,0,0,0|3,0,0]=4 3421 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 2230a_200012022750_100009816398 [0,1,0,0,0,0|3,0,0]=4 3422 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 34a_200012022750_100009816398 [0,1,0,0,0,0|3,0,0]=4 3423 B14R0.305 CC[C@H](C)COCCCCCCB(O)O 7a_100009816381_100009817187 [0,1,0,0,0,0|2,0,1]=4 3424 B14R0.305 CC[C@H](C)COCCCCCOC(=O)C 7a_100009816381_100000033007 [0,1,0,0,0,0|3,0,0]=4 3425 B14R0.305 CC[C@H](C)CSCCCCCCB(O)O 62a_100009816398_100009817187 [0,1,0,0,0,0|2,0,1]=4 3426 B14R0.305 CC[C@H](C)CSCCCCCCB(O)O 62a_100009817187_100009816398 [0,1,0,0,0,0|2,0,1]=4 3427 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100000033007_100009816398 [0,1,0,0,0,0|3,0,0]=4 3428 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100009816398_100000033007 [0,1,0,0,0,0|3,0,0]=4 3429 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000036616_200000210301 [0,1,0,0,0,0|2,0,1]=4 3430 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010282707 [0,1,0,0,0,0|2,0,1]=4 3431 B14R0.305 COC(=O)CCCCCCCCC(=O)[13CH3] 1458a_100000036616_200025704644 [0,1,0,0,0,0|2,0,1]=4 3432 B14R0.305 COC(=O)CCCCCCNCC(=O)O 269956a_100016091260_100009815986 [0,1,0,0,0,0|2,0,1]=4 3433 B14R0.305 COC(C)CCOCCCCCC(=O)N 7a_100000764861_100009817443 [0,1,0,0,0,0|3,0,0]=4 3434 B14R0.337 C#CC(=O)CCCCCCCCCC=C 1458a_100000211873_100009814027 [0,1,0,0,0,0|1,0,2]=4 3435 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [0,1,0,0,0,0|1,0,0]=2 3436 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [0,1,0,0,0,0|2,0,0]=3 3437 B14R0.337 C#CC(O)CCCCCNCCCCC 2230a_100000209983_200010408556 [0,1,0,0,0,0|2,0,1]=4 3438 B14R0.337 C#CC(O)CCCCCOCCCCC 34a_100000210253_200010408556 [0,1,0,0,0,0|2,0,1]=4 3439 B14R0.337 C#CC(O)CCCCCOCCCCC 7a_100000210253_200010408556 [0,1,0,0,0,0|2,0,1]=4 3440 B14R0.337 C#CC(O)CCCCCSCCCCC 62a_100000210326_200010408556 [0,1,0,0,0,0|2,0,1]=4 3441 B14R0.337 C#CC(O)CCCCCSCCCCC 62a_200010408556_100000210326 [0,1,0,0,0,0|2,0,1]=4 3442 B14R0.337 C#CCCCCCCCOCC(=O)OC 34a_100000054614_100000747449 [0,1,0,0,0,0|1,0,2]=4 3443 B14R0.337 C#CCCCCCCCOCC(=O)OC 7a_100000054614_100000747449 [0,1,0,0,0,0|1,0,2]=4 3444 B14R0.337 C#CCCCCCCCSCC(=O)OC 62a_100000747449_100153394163 [0,1,0,0,0,0|1,0,2]=4 3445 B14R0.337 C#CCCCCCCCSCC(=O)OC 62a_100153394163_100000747449 [0,1,0,0,0,0|1,0,2]=4 3446 B14R0.337 C#CCCCCCCOCCC(=O)OC 34a_100011217361_100000742370 [0,1,0,0,0,0|1,0,2]=4 3447 B14R0.337 C#CCCCCCCOCCC(=O)OC 7a_100011217361_100000204255 [0,1,0,0,0,0|1,0,2]=4 3448 B14R0.337 C#CCCCCCCSCCC(=O)OC 62a_100000204255_100012276617 [0,1,0,0,0,0|1,0,2]=4 3449 B14R0.337 C#CCCCCCCSCCC(=O)OC 62a_100012276617_100000204255 [0,1,0,0,0,0|1,0,2]=4 3450 B14R0.337 C#CCCCCCOCCCC(=O)OC 34a_100000766912_100000742333 [0,1,0,0,0,0|1,0,2]=4 3451 B14R0.337 C#CCCCCCOCCCC(=O)OC 7a_100000766912_100011218270 [0,1,0,0,0,0|1,0,2]=4 3452 B14R0.337 C#CCCCCCSCCCC(=O)OC 62a_100011218270_100012094781 [0,1,0,0,0,0|1,0,2]=4 3453 B14R0.337 C#CCCCCCSCCCC(=O)OC 62a_100012094781_100011218270 [0,1,0,0,0,0|1,0,2]=4 3454 B14R0.337 C#CCCCCNCCCCC(=O)OC 2230a_100000706060_100000204269 [0,1,0,0,0,0|1,0,2]=4 3455 B14R0.337 C#CCCCCNCCCCC(=O)OC 34a_100000706060_100000204269 [0,1,0,0,0,0|1,0,2]=4 3456 B14R0.337 C#CCCCCOCCCCC(=O)OC 34a_100000059025_100010269958 [0,1,0,0,0,0|1,0,2]=4 3457 B14R0.337 C#CCCCCOCCCCC(=O)OC 34a_100000766709_100000204269 [0,1,0,0,0,0|1,0,2]=4 3458 B14R0.337 C#CCCCCOCCCCC(=O)OC 7a_100000059025_100010269958 [0,1,0,0,0,0|1,0,2]=4 3459 B14R0.337 C#CCCCCOCCCCC(=O)OC 7a_100000766709_100000204269 [0,1,0,0,0,0|1,0,2]=4 3460 B14R0.337 C#CCCCCSCCCCC(=O)OC 62a_100000204269_100010269958 [0,1,0,0,0,0|1,0,2]=4 3461 B14R0.337 C#CCCCCSCCCCC(=O)OC 62a_100010269958_100000204269 [0,1,0,0,0,0|1,0,2]=4 3462 B14R0.337 C#CCCCNCCCCCC(=O)OC 34a_100000718082_100009816466 [0,1,0,0,0,0|1,0,2]=4 3463 B14R0.337 C#CCCCOCCCCCC(=O)OC 34a_100000074720_100000695029 [0,1,0,0,0,0|1,0,2]=4 3464 B14R0.337 C#CCCCOCCCCCC(=O)OC 34a_100000215630_100009816466 [0,1,0,0,0,0|1,0,2]=4 3465 B14R0.337 C#CCCCOCCCCCC(=O)OC 7a_100000074720_100011215417 [0,1,0,0,0,0|1,0,2]=4 3466 B14R0.337 C#CCCCOCCCCCC(=O)OC 7a_100000215630_100009816466 [0,1,0,0,0,0|1,0,2]=4 3467 B14R0.337 C#CCCCSCCCCCC(=O)OC 62a_100009816466_100011215417 [0,1,0,0,0,0|1,0,2]=4 3468 B14R0.337 C#CCCCSCCCCCC(=O)OC 62a_100011215417_100009816466 [0,1,0,0,0,0|1,0,2]=4 3469 B14R0.337 C#CCCNCCCCCCC(=O)OC 34a_100000755551_100009815986 [0,1,0,0,0,0|1,0,2]=4 3470 B14R0.337 C#CCCOCCCCCCC(=O)OC 34a_100009863599_100000688953 [0,1,0,0,0,0|1,0,2]=4 3471 B14R0.337 C#CCCOCCCCCCC(=O)OC 34a_100011215631_100009815986 [0,1,0,0,0,0|1,0,2]=4 3472 B14R0.337 C#CCCOCCCCCCC(=O)OC 7a_100009863599_100000688953 [0,1,0,0,0,0|1,0,2]=4 3473 B14R0.337 C#CCCSCCCCCCC(=O)OC 62a_100000688953_100009815986 [0,1,0,0,0,0|1,0,2]=4 3474 B14R0.337 C#CCCSCCCCCCC(=O)OC 62a_100009815986_100000688953 [0,1,0,0,0,0|1,0,2]=4 3475 B14R0.337 C#CCNCCCCCCCC(=O)OC 34a_100000212058_100010004213 [0,1,0,0,0,0|1,0,2]=4 3476 B14R0.337 C#CCOCCCCCCCC(=O)OC 34a_100000210247_100010004213 [0,1,0,0,0,0|1,0,2]=4 3477 B14R0.337 C#CCOCCCCCCCC(=O)OC 34a_100011022521_100000184674 [0,1,0,0,0,0|1,0,2]=4 3478 B14R0.337 C#CCOCCCCCCCC(=O)OC 7a_100011022521_100000038162 [0,1,0,0,0,0|1,0,2]=4 3479 B14R0.337 C#CCSCCCCCCCC(=O)OC 62a_100000038162_100010004213 [0,1,0,0,0,0|1,0,2]=4 3480 B14R0.337 C/C=C/CCOCCCCCC(=O)OC 34a_100016278192_100009816466 [0,1,0,0,0,0|1,0,2]=4 3481 B14R0.337 C/C=C/COCCCCCCC(=O)OC 34a_100009863599_100102629194 [0,1,0,0,0,0|1,0,2]=4 3482 B14R0.337 C/C=C/COCCCCCCC(=O)OC 34a_100016270725_100009815986 [0,1,0,0,0,0|1,0,2]=4 3483 B14R0.337 C/C=C/COCCCCCCC(=O)OC 7a_100009863599_100102629194 [0,1,0,0,0,0|1,0,2]=4 3484 B14R0.337 C/C=C/CSCCCCCCC(=O)OC 62a_100009815986_100102629194 [0,1,0,0,0,0|1,0,2]=4 3485 B14R0.337 C/C=C/CSCCCCCCC(=O)OC 62a_100102629194_100009815986 [0,1,0,0,0,0|1,0,2]=4 3486 B14R0.337 C=C(C#N)CNCCCCCCCCC 2230a_100000212291_100000694840 [0,1,0,0,0,0|3,0,0]=4 3487 B14R0.337 C=C(C#N)CNCCCCCCCCC 34a_100000212291_100000694840 [0,1,0,0,0,0|3,0,0]=4 3488 B14R0.337 C=C(C#N)COCCCCCCCCC 34a_100000210712_100000694840 [0,1,0,0,0,0|3,0,0]=4 3489 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [0,1,0,0,0,0|1,0,0]=2 3490 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [0,1,0,0,0,0|2,0,0]=3 3491 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [0,1,0,0,0,0|2,0,0]=3 3492 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [0,1,0,0,0,0|2,0,0]=3 3493 B14R0.337 C=CC(=O)NCCCCCCCCCO 240690a_100000078944_200121576911 [0,1,0,0,0,0|3,0,0]=4 3494 B14R0.337 C=CC(=O)NCCCCOCCCCC 34a_100014118770_100000718602 [0,1,0,0,0,0|3,0,0]=4 3495 B14R0.337 C=CC(=O)NCCNCCCCCCC 2230a_114873766552_100000210681 [0,1,0,0,0,0|3,0,0]=4 3496 B14R0.337 C=CC(=O)NCCOCCCCCCC 34a_100011304386_100000210614 [0,1,0,0,0,0|3,0,0]=4 3497 B14R0.337 C=CC(=O)OCCCCCCOCCC 34a_100000210258_100009894100 [0,1,0,0,0,0|3,0,0]=4 3498 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100000210303_100009894100 [0,1,0,0,0,0|3,0,0]=4 3499 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100009894100_100000210303 [0,1,0,0,0,0|3,0,0]=4 3500 B14R0.337 C=CC(=O)OCCCCCOCCCC 7a_200011023508_100000210211 [0,1,0,0,0,0|3,0,0]=4 3501 B14R0.337 C=CC(=O)OCCNCCCCCCC 2230a_100000229938_100009813456 [0,1,0,0,0,0|3,0,0]=4 3502 B14R0.337 C=CC(=O)OCCOCCCCCCC 34a_100000210272_100009813456 [0,1,0,0,0,0|3,0,0]=4 3503 B14R0.337 C=CC(=O)OCCOCCCCCCC 7a_100000210272_100009813456 [0,1,0,0,0,0|3,0,0]=4 3504 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100000210614_100009813456 [0,1,0,0,0,0|3,0,0]=4 3505 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100009813456_100000210316 [0,1,0,0,0,0|3,0,0]=4 3506 B14R0.337 C=CC(O)CNCCCCCCCCC 2230a_100000212291_100000730141 [0,1,0,0,0,0|2,0,1]=4 3507 B14R0.337 C=CC(O)CNCCCCCCCCC 34a_100000212291_100000730141 [0,1,0,0,0,0|2,0,1]=4 3508 B14R0.337 C=CC(O)COCCCCCCCCC 34a_100000210712_100000730141 [0,1,0,0,0,0|2,0,1]=4 3509 B14R0.337 C=CC(O)COCCCCCCCCC 7a_100000210712_100000730141 [0,1,0,0,0,0|2,0,1]=4 3510 B14R0.337 C=CC(O)CSCCCCCCCCC 62a_100000730141_100000210670 [0,1,0,0,0,0|2,0,1]=4 3511 B14R0.337 C=CCCCCCCCCCC(=O)C=C 1458a_100000185746_100009814027 [0,1,0,0,0,0|1,0,2]=4 3512 B14R0.337 C=CCCCCCCCCCC(=O)CC 1458a_100000210414_100009814027 [0,1,0,0,0,0|1,0,2]=4 3513 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [0,1,0,0,0,0|0,0,2]=3 3514 B14R0.337 C=CCCCCCCCOCC(=O)OC 34a_100000730831_100000747449 [0,1,0,0,0,0|1,0,2]=4 3515 B14R0.337 C=CCCCCCCCOCC(=O)OC 7a_100000730831_100000747449 [0,1,0,0,0,0|1,0,2]=4 3516 B14R0.337 C=CCCCCCCCSCC(=O)OC 62a_100000747449_100012355270 [0,1,0,0,0,0|1,0,2]=4 3517 B14R0.337 C=CCCCCCCCSCC(=O)OC 62a_100012355270_100000747449 [0,1,0,0,0,0|1,0,2]=4 3518 B14R0.337 C=CCCCCCCOCCC(=O)OC 34a_200011216477_100000742370 [0,1,0,0,0,0|1,0,2]=4 3519 B14R0.337 C=CCCCCCCOCCC(=O)OC 7a_200011216477_100000204255 [0,1,0,0,0,0|1,0,2]=4 3520 B14R0.337 C=CCCCCCCSCCC(=O)OC 62a_100000204255_100011215473 [0,1,0,0,0,0|1,0,2]=4 3521 B14R0.337 C=CCCCCCCSCCC(=O)OC 62a_100011215473_100000204255 [0,1,0,0,0,0|1,0,2]=4 3522 B14R0.337 C=CCCCCCOCCCC(=O)OC 34a_100011216702_100000742333 [0,1,0,0,0,0|1,0,2]=4 3523 B14R0.337 C=CCCCCCOCCCC(=O)OC 7a_100011216702_100011218270 [0,1,0,0,0,0|1,0,2]=4 3524 B14R0.337 C=CCCCCCSCCCC(=O)OC 62a_100000700193_100011218270 [0,1,0,0,0,0|1,0,2]=4 3525 B14R0.337 C=CCCCCCSCCCC(=O)OC 62a_100011218270_100000700193 [0,1,0,0,0,0|1,0,2]=4 3526 B14R0.337 C=CCCCCNCCCCC(=O)OC 2230a_100000703577_100000204269 [0,1,0,0,0,0|1,0,2]=4 3527 B14R0.337 C=CCCCCNCCCCC(=O)OC 34a_100000703577_100000204269 [0,1,0,0,0,0|1,0,2]=4 3528 B14R0.337 C=CCCCCOCCCCC(=O)OC 34a_100000059025_100011215482 [0,1,0,0,0,0|1,0,2]=4 3529 B14R0.337 C=CCCCCOCCCCC(=O)OC 34a_100000766645_100000204269 [0,1,0,0,0,0|1,0,2]=4 3530 B14R0.337 C=CCCCCOCCCCC(=O)OC 7a_100000059025_100011215482 [0,1,0,0,0,0|1,0,2]=4 3531 B14R0.337 C=CCCCCOCCCCC(=O)OC 7a_100000766645_100000204269 [0,1,0,0,0,0|1,0,2]=4 3532 B14R0.337 C=CCCCCSCCCCC(=O)OC 62a_100000204269_100011215482 [0,1,0,0,0,0|1,0,2]=4 3533 B14R0.337 C=CCCCCSCCCCC(=O)OC 62a_100011215482_100000204269 [0,1,0,0,0,0|1,0,2]=4 3534 B14R0.337 C=CCCCNCCCCCC(=O)OC 2230a_100000700776_100009816466 [0,1,0,0,0,0|1,0,2]=4 3535 B14R0.337 C=CCCCNCCCCCC(=O)OC 34a_100000700776_100009816466 [0,1,0,0,0,0|1,0,2]=4 3536 B14R0.337 C=CCCCOCCCCCC(=O)OC 34a_100000074720_100000757094 [0,1,0,0,0,0|1,0,2]=4 3537 B14R0.337 C=CCCCOCCCCCC(=O)OC 34a_100000758997_100009816466 [0,1,0,0,0,0|1,0,2]=4 3538 B14R0.337 C=CCCCOCCCCCC(=O)OC 7a_100000074720_100000757094 [0,1,0,0,0,0|1,0,2]=4 3539 B14R0.337 C=CCCCOCCCCCC(=O)OC 7a_100000758997_100009816466 [0,1,0,0,0,0|1,0,2]=4 3540 B14R0.337 C=CCCCSCCCCCC(=O)OC 62a_100009816466_100000757094 [0,1,0,0,0,0|1,0,2]=4 3541 B14R0.337 C=CCCCSCCCCCC(=O)OC 62a_100011713584_100009816466 [0,1,0,0,0,0|1,0,2]=4 3542 B14R0.337 C=CCCNCCCCCCC(=O)OC 2230a_100015191253_100009815986 [0,1,0,0,0,0|1,0,2]=4 3543 B14R0.337 C=CCCOCCCCCCC(=O)OC 34a_100009863599_100000754431 [0,1,0,0,0,0|1,0,2]=4 3544 B14R0.337 C=CCCOCCCCCCC(=O)OC 34a_100011205117_100009815986 [0,1,0,0,0,0|1,0,2]=4 3545 B14R0.337 C=CCCOCCCCCCC(=O)OC 7a_100009863599_100000754431 [0,1,0,0,0,0|1,0,2]=4 3546 B14R0.337 C=CCCSCCCCCCC(=O)OC 62a_100000754431_100009815986 [0,1,0,0,0,0|1,0,2]=4 3547 B14R0.337 C=CCCSCCCCCCC(=O)OC 62a_100009815986_100000754431 [0,1,0,0,0,0|1,0,2]=4 3548 B14R0.337 C=CCNCCCCCCCC(=O)OC 2230a_100020586998_100010004213 [0,1,0,0,0,0|1,0,2]=4 3549 B14R0.337 C=CCOCCCCCCCC(=O)OC 34a_100011022521_100015514636 [0,1,0,0,0,0|1,0,2]=4 3550 B14R0.337 C=CCOCCCCCCCC(=O)OC 34a_200000210373_100010004213 [0,1,0,0,0,0|1,0,2]=4 3551 B14R0.337 C=CCOCCCCCCCC(=O)OC 7a_100011022521_100015514636 [0,1,0,0,0,0|1,0,2]=4 3552 B14R0.337 C=CCSCCCCCCCC(=O)OC 62a_100000210623_100010004213 [0,1,0,0,0,0|1,0,2]=4 3553 B14R0.337 C=CCSCCCCCCCC(=O)OC 62a_100010004213_100000210623 [0,1,0,0,0,0|1,0,2]=4 3554 B14R0.337 CC#CCCOCCCCCC(=O)OC 34a_100000750427_100009816466 [0,1,0,0,0,0|1,0,2]=4 3555 B14R0.337 CC#CCNCCCCCCC(=O)OC 2230a_100000685387_100009815986 [0,1,0,0,0,0|1,0,2]=4 3556 B14R0.337 CC#CCNCCCCCCC(=O)OC 34a_100000685387_100009815986 [0,1,0,0,0,0|1,0,2]=4 3557 B14R0.337 CC#CCOCCCCCCC(=O)OC 34a_100000761923_100009815986 [0,1,0,0,0,0|1,0,2]=4 3558 B14R0.337 CC#CCOCCCCCCC(=O)OC 34a_100009863599_100000748600 [0,1,0,0,0,0|1,0,2]=4 3559 B14R0.337 CC#CCOCCCCCCC(=O)OC 7a_100009863599_100000748600 [0,1,0,0,0,0|1,0,2]=4 3560 B14R0.337 CC#CCSCCCCCCC(=O)OC 62a_100000748600_100009815986 [0,1,0,0,0,0|1,0,2]=4 3561 B14R0.337 CC#CCSCCCCCCC(=O)OC 62a_100009815986_100000748600 [0,1,0,0,0,0|1,0,2]=4 3562 B14R0.337 CC/C=C/CCCOCCCC(=O)OC 34a_100016287902_100000742333 [0,1,0,0,0,0|1,0,2]=4 3563 B14R0.337 CC/C=C/CCCOCCCC(=O)OC 7a_100016287902_100011218270 [0,1,0,0,0,0|1,0,2]=4 3564 B14R0.337 CC/C=C\CCCCCOCC(=O)OC 34a_100016268722_100000747449 [0,1,0,0,0,0|1,0,2]=4 3565 B14R0.337 CC/C=C\CCCCCOCC(=O)OC 7a_100016268722_100000747449 [0,1,0,0,0,0|1,0,2]=4 3566 B14R0.337 CC/C=C\CCCCOCCC(=O)OC 34a_100016287862_100000742370 [0,1,0,0,0,0|1,0,2]=4 3567 B14R0.337 CC/C=C\CCCCOCCC(=O)OC 7a_100016287862_100000204255 [0,1,0,0,0,0|1,0,2]=4 3568 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 34a_100000059025_100015370543 [0,1,0,0,0,0|1,0,2]=4 3569 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 34a_100016288707_100000204269 [0,1,0,0,0,0|1,0,2]=4 3570 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 7a_100000059025_100015370543 [0,1,0,0,0,0|1,0,2]=4 3571 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 7a_100016288707_100000204269 [0,1,0,0,0,0|1,0,2]=4 3572 B14R0.337 CC/C=C\CCSCCCCC(=O)OC 62a_100000204269_100015370543 [0,1,0,0,0,0|1,0,2]=4 3573 B14R0.337 CC/C=C\CCSCCCCC(=O)OC 62a_100015370543_100000204269 [0,1,0,0,0,0|1,0,2]=4 3574 B14R0.337 CC/C=C\COCCCCCC(=O)OC 34a_100000074720_100103147603 [0,1,0,0,0,0|1,0,2]=4 3575 B14R0.337 CC/C=C\COCCCCCC(=O)OC 34a_100016268518_100009816466 [0,1,0,0,0,0|1,0,2]=4 3576 B14R0.337 CC/C=C\COCCCCCC(=O)OC 7a_100000074720_100103147603 [0,1,0,0,0,0|1,0,2]=4 3577 B14R0.337 CC/C=C\CSCCCCCC(=O)OC 62a_100009816466_100103147603 [0,1,0,0,0,0|1,0,2]=4 3578 B14R0.337 CC/C=C\CSCCCCCC(=O)OC 62a_100103147603_100009816466 [0,1,0,0,0,0|1,0,2]=4 3579 B14R0.337 CC=CCCCOCCCCC(=O)OC 34a_100020645299_100000204269 [0,1,0,0,0,0|1,0,2]=4 3580 B14R0.337 CC=CCOCCCCCCC(=O)OC 34a_100009863599_100000070051 [0,1,0,0,0,0|1,0,2]=4 3581 B14R0.337 CC=CCOCCCCCCC(=O)OC 7a_100009863599_100000070051 [0,1,0,0,0,0|1,0,2]=4 3582 B14R0.337 CC=CCSCCCCCCC(=O)OC 62a_100000070051_100009815986 [0,1,0,0,0,0|1,0,2]=4 3583 B14R0.337 CC=CCSCCCCCCC(=O)OC 62a_100009815986_100000070051 [0,1,0,0,0,0|1,0,2]=4 3584 B14R0.337 CCC#CCCOCCCCC(=O)OC 34a_100000036655_100000204269 [0,1,0,0,0,0|1,0,2]=4 3585 B14R0.337 CCC#CCCOCCCCC(=O)OC 7a_100000036655_100000204269 [0,1,0,0,0,0|1,0,2]=4 3586 B14R0.337 CCC#CCOCCCCCC(=O)OC 34a_100000032950_100009816466 [0,1,0,0,0,0|1,0,2]=4 3587 B14R0.337 CCC#CCOCCCCCC(=O)OC 34a_100000074720_100009813939 [0,1,0,0,0,0|1,0,2]=4 3588 B14R0.337 CCC#CCOCCCCCC(=O)OC 7a_100000074720_100009813939 [0,1,0,0,0,0|1,0,2]=4 3589 B14R0.337 CCC#CCSCCCCCC(=O)OC 62a_100009813939_100009816466 [0,1,0,0,0,0|1,0,2]=4 3590 B14R0.337 CCC#CCSCCCCCC(=O)OC 62a_100009816466_100009813939 [0,1,0,0,0,0|1,0,2]=4 3591 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [0,1,0,0,0,0|2,0,0]=3 3592 B14R0.337 CCC(=O)COCCCCCCCCBr 7a_100009813846_100000747405 [0,1,0,0,0,0|3,0,0]=4 3593 B14R0.337 CCC(=O)COCCCCCCCCCl 7a_100000033203_100000747405 [0,1,0,0,0,0|3,0,0]=4 3594 B14R0.337 CCC(=O)COCCCCCCCCO 34a_100000725409_100000033203 [0,1,0,0,0,0|3,0,0]=4 3595 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000033203_100000747405 [0,1,0,0,0,0|3,0,0]=4 3596 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000747405_100000033203 [0,1,0,0,0,0|3,0,0]=4 3597 B14R0.337 CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210414 [0,1,0,0,0,0|3,0,0]=4 3598 B14R0.337 CCC/C=C/COCCCCC(=O)OC 34a_100016278788_100000204269 [0,1,0,0,0,0|1,0,2]=4 3599 B14R0.337 CCC/C=C/COCCCCC(=O)OC 7a_100016278788_100000204269 [0,1,0,0,0,0|1,0,2]=4 3600 B14R0.337 CCCC#CCCOCCCC(=O)OC 34a_100000042726_100000742333 [0,1,0,0,0,0|1,0,2]=4 3601 B14R0.337 CCCC#CCCOCCCC(=O)OC 7a_100000042726_100011218270 [0,1,0,0,0,0|1,0,2]=4 3602 B14R0.337 CCCC#CCOCCCCC(=O)OC 34a_100000034806_100000204269 [0,1,0,0,0,0|1,0,2]=4 3603 B14R0.337 CCCC#CCOCCCCC(=O)OC 7a_100000034806_100000204269 [0,1,0,0,0,0|1,0,2]=4 3604 B14R0.337 CCCC/C=C/COCCCC(=O)OC 34a_200016272032_100000742333 [0,1,0,0,0,0|1,0,2]=4 3605 B14R0.337 CCCC/C=C/COCCCC(=O)OC 7a_200016272032_100011218270 [0,1,0,0,0,0|1,0,2]=4 3606 B14R0.337 CCCC/C=C\CCOCCC(=O)OC 34a_200016286491_100000742370 [0,1,0,0,0,0|1,0,2]=4 3607 B14R0.337 CCCC/C=C\CCOCCC(=O)OC 7a_200016286491_100000204255 [0,1,0,0,0,0|1,0,2]=4 3608 B14R0.337 CCCCC#CCCCSCC(=O)OC 62a_100000747449_200000047210 [0,1,0,0,0,0|1,0,2]=4 3609 B14R0.337 CCCCC#CCCCSCC(=O)OC 62a_200000047210_100000747449 [0,1,0,0,0,0|1,0,2]=4 3610 B14R0.337 CCCCC#CCCOCCC(=O)OC 34a_100000037610_100000742370 [0,1,0,0,0,0|1,0,2]=4 3611 B14R0.337 CCCCC#CCCOCCC(=O)OC 7a_100000037610_100000204255 [0,1,0,0,0,0|1,0,2]=4 3612 B14R0.337 CCCCC#CCOCCCC(=O)OC 34a_200000034558_100000742333 [0,1,0,0,0,0|1,0,2]=4 3613 B14R0.337 CCCCC#CCOCCCC(=O)OC 7a_200000034558_100011218270 [0,1,0,0,0,0|1,0,2]=4 3614 B14R0.337 CCCCC/C=C/COCCC(=O)OC 34a_100016258190_100000742370 [0,1,0,0,0,0|1,0,2]=4 3615 B14R0.337 CCCCC/C=C/COCCC(=O)OC 7a_100016258190_100000204255 [0,1,0,0,0,0|1,0,2]=4 3616 B14R0.337 CCCCC/C=C\CCOCC(=O)OC 34a_100016277358_100000747449 [0,1,0,0,0,0|1,0,2]=4 3617 B14R0.337 CCCCC/C=C\CCOCC(=O)OC 7a_100016277358_100000747449 [0,1,0,0,0,0|1,0,2]=4 3618 B14R0.337 CCCCCC#CCCOCC(=O)OC 34a_200000042877_100000747449 [0,1,0,0,0,0|1,0,2]=4 3619 B14R0.337 CCCCCC#CCCOCC(=O)OC 7a_200000042877_100000747449 [0,1,0,0,0,0|1,0,2]=4 3620 B14R0.337 CCCCCC#CCOCCC(=O)OC 34a_200000033628_100000742370 [0,1,0,0,0,0|1,0,2]=4 3621 B14R0.337 CCCCCC#CCOCCC(=O)OC 7a_200000033628_100000204255 [0,1,0,0,0,0|1,0,2]=4 3622 B14R0.337 CCCCCC#CCSCCC(=O)OC 62a_100000204255_100009816472 [0,1,0,0,0,0|1,0,2]=4 3623 B14R0.337 CCCCCC#CCSCCC(=O)OC 62a_100009816472_100000204255 [0,1,0,0,0,0|1,0,2]=4 3624 B14R0.337 CCCCCC/C=C/COCC(=O)OC 34a_200016276170_100000747449 [0,1,0,0,0,0|1,0,2]=4 3625 B14R0.337 CCCCCC/C=C/COCC(=O)OC 7a_200016276170_100000747449 [0,1,0,0,0,0|1,0,2]=4 3626 B14R0.337 CCCCCCC#CCOCC(=O)OC 34a_200000037284_100000747449 [0,1,0,0,0,0|1,0,2]=4 3627 B14R0.337 CCCCCCC#CCOCC(=O)OC 7a_200000037284_100000747449 [0,1,0,0,0,0|1,0,2]=4 3628 B14R0.337 CCCCCCCCCC=CC(=O)CC 1458a_200015352897_100000210202 [0,1,0,0,0,0|1,0,2]=4 3629 B14R0.337 CCCCCCCCCC=CC(=O)CF 1458a_200015352897_100015361967 [0,1,0,0,0,0|1,0,2]=4 3630 B14R0.337 CCCCCCCCCC=CC(=O)NC 11a_106832991635_200015352897 [0,1,0,0,0,0|1,0,2]=4 3631 B14R0.337 CCCCCCCCCC=CC(=O)NC 1626a_100102657272_200015352897 [0,1,0,0,0,0|1,0,2]=4 3632 B14R0.337 CCCCCCCCCC=CC(=O)NC 240690a_100102657272_200015352897 [0,1,0,0,0,0|1,0,2]=4 3633 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [0,1,0,0,0,0|1,0,0]=2 3634 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [0,1,0,0,0,0|1,0,0]=2 3635 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [0,1,0,0,0,0|1,0,0]=2 3636 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [0,1,0,0,0,0|0,0,0]=1 3637 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [0,1,0,0,0,0|1,0,0]=2 3638 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [0,1,0,0,0,0|1,0,0]=2 3639 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [0,1,0,0,0,0|1,0,0]=2 3640 B14R0.337 CCCCCCCCCCCC(C)NC 270004a_106832991635_100011216755 [0,1,0,0,0,0|2,0,1]=4 3641 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [0,1,0,0,0,0|1,0,1]=3 3642 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [0,1,0,0,0,0|1,0,1]=3 3643 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [0,1,0,0,0,0|1,0,1]=3 3644 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [0,1,0,0,0,0|1,0,1]=3 3645 B14R0.337 CCCCCCCCCCCN(C)CC 2230a_100000225621_100011215454 [0,1,0,0,0,0|3,0,0]=4 3646 B14R0.337 CCCCCCCCCCCN(C)CC 269982a_100000225621_100011215454 [0,1,0,0,0,0|3,0,0]=4 3647 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [0,1,0,0,0,0|2,0,0]=3 3648 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [0,1,0,0,0,0|2,0,0]=3 3649 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [0,1,0,0,0,0|2,0,0]=3 3650 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [0,1,0,0,0,0|2,0,0]=3 3651 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [0,1,0,0,0,0|1,0,0]=2 3652 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [0,1,0,0,0,0|1,0,0]=2 3653 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [0,1,0,0,0,0|2,0,0]=3 3654 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [0,1,0,0,0,0|2,0,0]=3 3655 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [0,1,0,0,0,0|2,0,0]=3 3656 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [0,1,0,0,0,0|2,0,0]=3 3657 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [0,1,0,0,0,0|2,0,0]=3 3658 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [0,1,0,0,0,0|2,0,0]=3 3659 B14R0.337 CCCCCCCCCCNC(C)CO 2230a_100000684558_100012180447 [0,1,0,0,0,0|2,0,1]=4 3660 B14R0.337 CCCCCCCCCCNC(C)CO 34a_100000684558_100012180447 [0,1,0,0,0,0|2,0,1]=4 3661 B14R0.337 CCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210320 [0,1,0,0,0,0|2,0,1]=4 3662 B14R0.337 CCCCCCCCCCOC(C)CO 34a_100000210711_100012180447 [0,1,0,0,0,0|2,0,1]=4 3663 B14R0.337 CCCCCCCCCCOC(C)CO 7a_100000210711_100012180447 [0,1,0,0,0,0|2,0,1]=4 3664 B14R0.337 CCCCCCCCCCSC(C)CO 62a_100012180447_100000210320 [0,1,0,0,0,0|2,0,1]=4 3665 B14R0.337 CCCCCCCCCCSC(C)OC 62a_100009879195_100000210320 [0,1,0,0,0,0|2,0,1]=4 3666 B14R0.337 CCCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210320 [0,1,0,0,0,0|2,0,1]=4 3667 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [0,1,0,0,0,0|2,0,0]=3 3668 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [0,1,0,0,0,0|2,0,0]=3 3669 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [0,1,0,0,0,0|2,0,0]=3 3670 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [0,1,0,0,0,0|1,0,0]=2 3671 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [0,1,0,0,0,0|1,0,0]=2 3672 B14R0.337 CCCCCCCCCNCC(C)CO 34a_100000744482_100011214924 [0,1,0,0,0,0|2,0,1]=4 3673 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100000212291_100011218378 [0,1,0,0,0,0|2,0,1]=4 3674 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100011218483_100011214924 [0,1,0,0,0,0|2,0,1]=4 3675 B14R0.337 CCCCCCCCCNCC(O)CC 34a_100000212291_100011218378 [0,1,0,0,0,0|2,0,1]=4 3676 B14R0.337 CCCCCCCCCNCC(O)CO 2230a_100000212291_100011219619 [0,1,0,0,0,0|1,0,2]=4 3677 B14R0.337 CCCCCCCCCNCC(O)CO 34a_100000212291_100011219619 [0,1,0,0,0,0|1,0,2]=4 3678 B14R0.337 CCCCCCCCCNC[C@@H](C)CO 2230a_100000212291_100000059175 [0,1,0,0,0,0|2,0,1]=4 3679 B14R0.337 CCCCCCCCCNC[C@@H](C)CO 34a_100000212291_100000059175 [0,1,0,0,0,0|2,0,1]=4 3680 B14R0.337 CCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011214924 [0,1,0,0,0,0|2,0,1]=4 3681 B14R0.337 CCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011214924 [0,1,0,0,0,0|2,0,1]=4 3682 B14R0.337 CCCCCCCCCNC[C@@H](O)CF 2230a_100000212291_100015614560 [0,1,0,0,0,0|2,0,1]=4 3683 B14R0.337 CCCCCCCCCNC[C@@H](O)CF 34a_100000212291_100015614560 [0,1,0,0,0,0|2,0,1]=4 3684 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 2230a_100000212291_100009815848 [0,1,0,0,0,0|1,0,2]=4 3685 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 34a_100000212291_100009815848 [0,1,0,0,0,0|1,0,2]=4 3686 B14R0.337 CCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011214924 [0,1,0,0,0,0|1,0,2]=4 3687 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [0,1,0,0,0,0|2,0,0]=3 3688 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [0,1,0,0,0,0|2,0,0]=3 3689 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [0,1,0,0,0,0|2,0,0]=3 3690 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [0,1,0,0,0,0|2,0,0]=3 3691 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [0,1,0,0,0,0|2,0,0]=3 3692 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [0,1,0,0,0,0|1,0,0]=2 3693 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [0,1,0,0,0,0|1,0,0]=2 3694 B14R0.337 CCCCCCCCCOCC(C)OC 34a_100000690652_100011214924 [0,1,0,0,0,0|2,0,1]=4 3695 B14R0.337 CCCCCCCCCOCC(O)CC 34a_100000210712_100011218378 [0,1,0,0,0,0|2,0,1]=4 3696 B14R0.337 CCCCCCCCCOCC(O)CC 7a_100000210712_100011218378 [0,1,0,0,0,0|2,0,1]=4 3697 B14R0.337 CCCCCCCCCOCC(O)CO 34a_100000210712_100011219619 [0,1,0,0,0,0|1,0,2]=4 3698 B14R0.337 CCCCCCCCCOCC(O)CO 7a_100000210712_100011219619 [0,1,0,0,0,0|1,0,2]=4 3699 B14R0.337 CCCCCCCCCOC[C@@H](C)CO 34a_100000210712_100000059175 [0,1,0,0,0,0|2,0,1]=4 3700 B14R0.337 CCCCCCCCCOC[C@@H](C)CO 7a_100000210712_100000059175 [0,1,0,0,0,0|2,0,1]=4 3701 B14R0.337 CCCCCCCCCOC[C@@H](O)CF 34a_100000210712_100015614560 [0,1,0,0,0,0|2,0,1]=4 3702 B14R0.337 CCCCCCCCCOC[C@@H](O)CF 7a_100000210712_100015614560 [0,1,0,0,0,0|2,0,1]=4 3703 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 34a_100000210712_100009815848 [0,1,0,0,0,0|1,0,2]=4 3704 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 7a_100000210712_100009815848 [0,1,0,0,0,0|1,0,2]=4 3705 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [0,1,0,0,0,0|2,0,0]=3 3706 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [0,1,0,0,0,0|2,0,0]=3 3707 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [0,1,0,0,0,0|1,0,0]=2 3708 B14R0.337 CCCCCCCCCSCC(O)CC 62a_100011218378_100000210670 [0,1,0,0,0,0|2,0,1]=4 3709 B14R0.337 CCCCCCCCCSCC(O)CO 62a_100011219619_100000210670 [0,1,0,0,0,0|1,0,2]=4 3710 B14R0.337 CCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210670 [0,1,0,0,0,0|2,0,1]=4 3711 B14R0.337 CCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210670 [0,1,0,0,0,0|2,0,1]=4 3712 B14R0.337 CCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210670 [0,1,0,0,0,0|1,0,2]=4 3713 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [0,1,0,0,0,0|2,0,0]=3 3714 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [0,1,0,0,0,0|2,0,0]=3 3715 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [0,1,0,0,0,0|2,0,0]=3 3716 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [0,1,0,0,0,0|2,0,0]=3 3717 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [0,1,0,0,0,0|1,0,0]=2 3718 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [0,1,0,0,0,0|1,0,0]=2 3719 B14R0.337 CCCCCCCCNCCC(C)CO 2230a_106354213184_100000210759 [0,1,0,0,0,0|2,0,1]=4 3720 B14R0.337 CCCCCCCCNCCC(C)CO 34a_106354213184_100000210759 [0,1,0,0,0,0|2,0,1]=4 3721 B14R0.337 CCCCCCCCOCCC(=NO)N 34a_100000749954_100000210759 [0,1,0,0,0,0|2,0,0]=3 3722 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [0,1,0,0,0,0|2,0,0]=3 3723 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [0,1,0,0,0,0|2,0,0]=3 3724 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [0,1,0,0,0,0|2,0,0]=3 3725 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [0,1,0,0,0,0|1,0,0]=2 3726 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [0,1,0,0,0,0|1,0,0]=2 3727 B14R0.337 CCCCCCCCOCCC(C)OC 7a_100000764861_100000210759 [0,1,0,0,0,0|2,0,1]=4 3728 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [0,1,0,0,0,0|2,0,0]=3 3729 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [0,1,0,0,0,0|2,0,0]=3 3730 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [0,1,0,0,0,0|1,0,0]=2 3731 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [0,1,0,0,0,0|1,0,0]=2 3732 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [0,1,0,0,0,0|2,0,0]=3 3733 B14R0.337 CCCCCCCNC/C=C/C(=O)OC 2230a_100000229938_100000742655 [0,1,0,0,0,0|1,0,2]=4 3734 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [0,1,0,0,0,0|2,0,0]=3 3735 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [0,1,0,0,0,0|2,0,0]=3 3736 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [0,1,0,0,0,0|2,0,0]=3 3737 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [0,1,0,0,0,0|1,0,0]=2 3738 B14R0.337 CCCCCCCNCCNC(=O)CC 34a_100132302217_100000210614 [0,1,0,0,0,0|3,0,0]=4 3739 B14R0.337 CCCCCCCNCCNC(=O)NC 34a_100015205895_100000210614 [0,1,0,0,0,0|3,0,0]=4 3740 B14R0.337 CCCCCCCOC/C=C/C(=O)OC 34a_100000210272_100000742655 [0,1,0,0,0,0|1,0,2]=4 3741 B14R0.337 CCCCCCCOC/C=C/C(=O)OC 7a_100000210272_100000742655 [0,1,0,0,0,0|1,0,2]=4 3742 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [0,1,0,0,0,0|2,0,0]=3 3743 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [0,1,0,0,0,0|2,0,0]=3 3744 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [0,1,0,0,0,0|2,0,0]=3 3745 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [0,1,0,0,0,0|1,0,0]=2 3746 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [0,1,0,0,0,0|1,0,0]=2 3747 B14R0.337 CCCCCCCOCCNC(=O)CC 34a_200000158885_100000210614 [0,1,0,0,0,0|3,0,0]=4 3748 B14R0.337 CCCCCCCOCCNC(=O)CC 7a_200000158885_100000210614 [0,1,0,0,0,0|3,0,0]=4 3749 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [0,1,0,0,0,0|2,0,0]=3 3750 B14R0.337 CCCCCCCOCCOC(=O)CC 7a_200000031056_100000210614 [0,1,0,0,0,0|3,0,0]=4 3751 B14R0.337 CCCCCCCOCCOC(=O)NC 34a_100000210272_200011997002 [0,1,0,0,0,0|3,0,0]=4 3752 B14R0.337 CCCCCCCOCCOC(=O)NC 7a_100000210272_200011997002 [0,1,0,0,0,0|3,0,0]=4 3753 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [0,1,0,0,0,0|2,0,0]=3 3754 B14R0.337 CCCCCCCSC/C=C/C(=O)OC 62a_100000210614_100000742655 [0,1,0,0,0,0|1,0,2]=4 3755 B14R0.337 CCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210316 [0,1,0,0,0,0|1,0,2]=4 3756 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [0,1,0,0,0,0|2,0,0]=3 3757 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [0,1,0,0,0,0|2,0,0]=3 3758 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [0,1,0,0,0,0|1,0,0]=2 3759 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [0,1,0,0,0,0|1,0,0]=2 3760 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_100000210614_200011997002 [0,1,0,0,0,0|3,0,0]=4 3761 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_200011997002_100000210316 [0,1,0,0,0,0|3,0,0]=4 3762 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [0,1,0,0,0,0|1,0,0]=2 3763 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [0,1,0,0,0,0|2,0,0]=3 3764 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [0,1,0,0,0,0|1,0,0]=2 3765 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [0,1,0,0,0,0|1,0,0]=2 3766 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [0,1,0,0,0,0|1,0,0]=2 3767 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [0,1,0,0,0,0|1,0,0]=2 3768 B14R0.337 CCCCCCOCCOCC(=O)CC 7a_100000691444_100000747405 [0,1,0,0,0,0|3,0,0]=4 3769 B14R0.337 CCCCCCOCCOCC(=O)NC 34a_100000691444_100000183359 [0,1,0,0,0,0|3,0,0]=4 3770 B14R0.337 CCCCCCOCCOCC(=O)NC 7a_100000691444_100000183359 [0,1,0,0,0,0|3,0,0]=4 3771 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [0,1,0,0,0,0|2,0,0]=3 3772 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [0,1,0,0,0,0|2,0,0]=3 3773 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [0,1,0,0,0,0|2,0,0]=3 3774 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [0,1,0,0,0,0|2,0,0]=3 3775 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [0,1,0,0,0,0|1,0,0]=2 3776 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [0,1,0,0,0,0|1,0,0]=2 3777 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [0,1,0,0,0,0|2,0,0]=3 3778 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [0,1,0,0,0,0|2,0,0]=3 3779 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [0,1,0,0,0,0|1,0,0]=2 3780 B14R0.337 CCCCCNCCOCCC(=O)NC 34a_100000224656_100012179268 [0,1,0,0,0,0|3,0,0]=4 3781 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [0,1,0,0,0,0|2,0,0]=3 3782 B14R0.337 CCCCCNN=CCCCC(=O)OC 4a_100000694160_100000094087 [0,1,0,0,0,0|2,0,1]=4 3783 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [0,1,0,0,0,0|1,0,0]=2 3784 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [0,1,0,0,0,0|1,0,0]=2 3785 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [0,1,0,0,0,0|1,0,0]=2 3786 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [0,1,0,0,0,0|1,0,0]=2 3787 B14R0.337 CCCCCOCCOCCC(=O)NC 34a_100011215259_100012179268 [0,1,0,0,0,0|3,0,0]=4 3788 B14R0.337 CCCCCOCCOCCC(=O)NC 7a_100011215259_100000737683 [0,1,0,0,0,0|3,0,0]=4 3789 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [0,1,0,0,0,0|2,0,0]=3 3790 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [0,1,0,0,0,0|2,0,0]=3 3791 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [0,1,0,0,0,0|1,0,0]=2 3792 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [0,1,0,0,0,0|1,0,0]=2 3793 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [0,1,0,0,0,0|1,0,0]=2 3794 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [0,1,0,0,0,0|1,0,0]=2 3795 B14R0.337 CCCCNCCCCOCC(=O)NC 34a_200011216965_100000183359 [0,1,0,0,0,0|3,0,0]=4 3796 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [0,1,0,0,0,0|2,0,0]=3 3797 B14R0.337 CCCCNN=CCCCCC(=O)OC 4a_100025702795_100000052768 [0,1,0,0,0,0|2,0,1]=4 3798 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [0,1,0,0,0,0|1,0,0]=2 3799 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [0,1,0,0,0,0|1,0,0]=2 3800 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [0,1,0,0,0,0|1,0,0]=2 3801 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [0,1,0,0,0,0|1,0,0]=2 3802 B14R0.337 CCCCOCCCCOCC(=O)CC 7a_200000760531_100000747405 [0,1,0,0,0,0|3,0,0]=4 3803 B14R0.337 CCCCOCCCCOCC(=O)NC 34a_200000760531_100000183359 [0,1,0,0,0,0|3,0,0]=4 3804 B14R0.337 CCCCOCCCCOCC(=O)NC 7a_200000760531_100000183359 [0,1,0,0,0,0|3,0,0]=4 3805 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [0,1,0,0,0,0|2,0,0]=3 3806 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [0,1,0,0,0,0|2,0,0]=3 3807 B14R0.337 CCCCOCCCNCCC(=O)NC 2230a_200000211371_100000737683 [0,1,0,0,0,0|3,0,0]=4 3808 B14R0.337 CCCCOCCCNCCC(=O)NC 34a_200000211371_100012179268 [0,1,0,0,0,0|3,0,0]=4 3809 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [0,1,0,0,0,0|2,0,0]=3 3810 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [0,1,0,0,0,0|2,0,0]=3 3811 B14R0.337 CCCCOCCCOCCC(=O)NC 34a_200011215613_100012179268 [0,1,0,0,0,0|3,0,0]=4 3812 B14R0.337 CCCCOCCCOCCC(=O)NC 7a_200011215613_100000737683 [0,1,0,0,0,0|3,0,0]=4 3813 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [0,1,0,0,0,0|2,0,0]=3 3814 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [0,1,0,0,0,0|2,0,0]=3 3815 B14R0.337 CCCCOCCNCCCC(=O)NC 2230a_100000740002_100000743108 [0,1,0,0,0,0|3,0,0]=4 3816 B14R0.337 CCCCOCCNCCCC(=O)NC 34a_100000740002_100000743108 [0,1,0,0,0,0|3,0,0]=4 3817 B14R0.337 CCCCOCCOCCCC(=O)NC 34a_100000210238_100000741757 [0,1,0,0,0,0|3,0,0]=4 3818 B14R0.337 CCCCOCCOCCCC(=O)NC 7a_100000210238_100000741757 [0,1,0,0,0,0|3,0,0]=4 3819 B14R0.337 CCCCOCCOCCCC(=O)NN 34a_100000211488_100000743108 [0,1,0,0,0,0|3,0,0]=4 3820 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [0,1,0,0,0,0|2,0,0]=3 3821 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [0,1,0,0,0,0|2,0,0]=3 3822 B14R0.337 CCCCOCCOCCNC(=O)OC 34a_100000757965_100000743108 [0,1,0,0,0,0|3,0,0]=4 3823 B14R0.337 CCCCOCCOCCOC(=O)OC 34a_100010262106_100000743108 [0,1,0,0,0,0|3,0,0]=4 3824 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000741757_100000743108 [0,1,0,0,0,0|3,0,0]=4 3825 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000743108_100000741757 [0,1,0,0,0,0|3,0,0]=4 3826 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [0,1,0,0,0,0|2,0,0]=3 3827 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [0,1,0,0,0,0|2,0,0]=3 3828 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [0,1,0,0,0,0|2,0,0]=3 3829 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [0,1,0,0,0,0|2,0,0]=3 3830 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [0,1,0,0,0,0|2,0,0]=3 3831 B14R0.337 CCCCOCSCCOCC(=O)OC 62a_100000090808_100011995733 [0,1,0,0,0,0|3,0,0]=4 3832 B14R0.337 CCCCOCSCCOCC(=O)OC 62a_100011995733_100000090808 [0,1,0,0,0,0|3,0,0]=4 3833 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [0,1,0,0,0,0|1,0,0]=2 3834 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [0,1,0,0,0,0|1,0,0]=2 3835 B14R0.337 CCCCSCCNCCCC(=O)NC 2230a_100025743550_100000741757 [0,1,0,0,0,0|3,0,0]=4 3836 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [0,1,0,0,0,0|2,0,0]=3 3837 B14R0.337 CCCCSCCOCCCC(=O)NC 34a_200000230436_100000741757 [0,1,0,0,0,0|3,0,0]=4 3838 B14R0.337 CCCCSCCOCCCC(=O)NC 7a_200000230436_100000741757 [0,1,0,0,0,0|3,0,0]=4 3839 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [0,1,0,0,0,0|2,0,0]=3 3840 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [0,1,0,0,0,0|2,0,0]=3 3841 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [0,1,0,0,0,0|1,0,0]=2 3842 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [0,1,0,0,0,0|1,0,0]=2 3843 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [0,1,0,0,0,0|1,0,0]=2 3844 B14R0.337 CCCOCCCNCCCC(=O)NC 2230a_100011217757_100000741757 [0,1,0,0,0,0|3,0,0]=4 3845 B14R0.337 CCCOCCCNCCCC(=O)NC 34a_100011217757_100000741757 [0,1,0,0,0,0|3,0,0]=4 3846 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [0,1,0,0,0,0|2,0,0]=3 3847 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [0,1,0,0,0,0|2,0,0]=3 3848 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [0,1,0,0,0,0|2,0,0]=3 3849 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [0,1,0,0,0,0|2,0,0]=3 3850 B14R0.337 CCCOCCNCCOCC(=O)OC 2230a_100161115042_100000090808 [0,1,0,0,0,0|3,0,0]=4 3851 B14R0.337 CCCOCCNCCOCC(=O)OC 34a_100161115042_100000090808 [0,1,0,0,0,0|3,0,0]=4 3852 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [0,1,0,0,0,0|2,0,0]=3 3853 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [0,1,0,0,0,0|2,0,0]=3 3854 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [0,1,0,0,0,0|2,0,0]=3 3855 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [0,1,0,0,0,0|2,0,0]=3 3856 B14R0.337 CCCOCCOCCNCC(=O)OC 2230a_200011904461_100000747449 [0,1,0,0,0,0|3,0,0]=4 3857 B14R0.337 CCCOCCOCCNCC(=O)OC 34a_200011904461_100000747449 [0,1,0,0,0,0|3,0,0]=4 3858 B14R0.337 CCCOCCOCCOCC(=O)OC 34a_100000752267_100000090808 [0,1,0,0,0,0|3,0,0]=4 3859 B14R0.337 CCCOCCOCCOCC(=O)OC 34a_100011023656_100000210303 [0,1,0,0,0,0|3,0,0]=4 3860 B14R0.337 CCCOCCOCCOCC(=O)OC 7a_100000752267_100000090808 [0,1,0,0,0,0|3,0,0]=4 3861 B14R0.337 CCCOCCOCCOCC(=O)OC 7a_100011023656_100000210303 [0,1,0,0,0,0|3,0,0]=4 3862 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [0,1,0,0,0,0|2,0,0]=3 3863 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [0,1,0,0,0,0|2,0,0]=3 3864 B14R0.337 CCCOCCSCCOCC(=O)OC 62a_100000090808_100011215938 [0,1,0,0,0,0|3,0,0]=4 3865 B14R0.337 CCCOCCSCCOCC(=O)OC 62a_100011215938_100000090808 [0,1,0,0,0,0|3,0,0]=4 3866 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [0,1,0,0,0,0|1,0,0]=2 3867 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [0,1,0,0,0,0|1,0,0]=2 3868 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [0,1,0,0,0,0|2,0,0]=3 3869 B14R0.337 CCCSCCNCCOCC(=O)OC 2230a_100020603323_100000090808 [0,1,0,0,0,0|3,0,0]=4 3870 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [0,1,0,0,0,0|2,0,0]=3 3871 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [0,1,0,0,0,0|2,0,0]=3 3872 B14R0.337 CCCSCCOCCOCC(=O)OC 34a_200000230433_100000090808 [0,1,0,0,0,0|3,0,0]=4 3873 B14R0.337 CCCSCCOCCOCC(=O)OC 7a_200000230433_100000090808 [0,1,0,0,0,0|3,0,0]=4 3874 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [0,1,0,0,0,0|1,0,0]=2 3875 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [0,1,0,0,0,0|1,0,0]=2 3876 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [0,1,0,0,0,0|1,0,0]=2 3877 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [0,1,0,0,0,0|1,0,0]=2 3878 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [0,1,0,0,0,0|2,0,0]=3 3879 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [0,1,0,0,0,0|2,0,0]=3 3880 B14R0.337 CCOCCCNCCOCC(=O)OC 2230a_100000210961_100000090808 [0,1,0,0,0,0|3,0,0]=4 3881 B14R0.337 CCOCCCNCCOCC(=O)OC 34a_100000210961_100000090808 [0,1,0,0,0,0|3,0,0]=4 3882 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [0,1,0,0,0,0|2,0,0]=3 3883 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [0,1,0,0,0,0|2,0,0]=3 3884 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [0,1,0,0,0,0|2,0,0]=3 3885 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [0,1,0,0,0,0|2,0,0]=3 3886 B14R0.337 CCOCCCOCCOCC(=O)OC 34a_100000757476_100000090808 [0,1,0,0,0,0|3,0,0]=4 3887 B14R0.337 CCOCCCOCCOCC(=O)OC 7a_100000757476_100000090808 [0,1,0,0,0,0|3,0,0]=4 3888 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [0,1,0,0,0,0|2,0,0]=3 3889 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [0,1,0,0,0,0|2,0,0]=3 3890 B14R0.337 CCOCCCSCCOCC(=O)OC 62a_100000090808_100012232248 [0,1,0,0,0,0|3,0,0]=4 3891 B14R0.337 CCOCCCSCCOCC(=O)OC 62a_100012232248_100000090808 [0,1,0,0,0,0|3,0,0]=4 3892 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [0,1,0,0,0,0|2,0,0]=3 3893 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [0,1,0,0,0,0|2,0,0]=3 3894 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [0,1,0,0,0,0|2,0,0]=3 3895 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [0,1,0,0,0,0|2,0,0]=3 3896 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [0,1,0,0,0,0|2,0,0]=3 3897 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [0,1,0,0,0,0|2,0,0]=3 3898 B14R0.337 CCOCCOCCNCCC(=O)OC 2230a_100102712874_100000204255 [0,1,0,0,0,0|3,0,0]=4 3899 B14R0.337 CCOCCOCCNCCC(=O)OC 34a_100102712874_100000742370 [0,1,0,0,0,0|3,0,0]=4 3900 B14R0.337 CCOCCOCCOCCC(=O)OC 34a_100000210240_100000742370 [0,1,0,0,0,0|3,0,0]=4 3901 B14R0.337 CCOCCOCCOCCC(=O)OC 34a_100010982084_100000210202 [0,1,0,0,0,0|3,0,0]=4 3902 B14R0.337 CCOCCOCCOCCC(=O)OC 7a_100000210240_100000204255 [0,1,0,0,0,0|3,0,0]=4 3903 B14R0.337 CCOCCOCCOCCC(=O)OC 7a_100010982084_100000210202 [0,1,0,0,0,0|3,0,0]=4 3904 B14R0.337 CCOCCOCCSCCC(=O)OC 62a_100000204255_100011211534 [0,1,0,0,0,0|3,0,0]=4 3905 B14R0.337 CCOCCOCCSCCC(=O)OC 62a_100011211534_100000204255 [0,1,0,0,0,0|3,0,0]=4 3906 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [0,1,0,0,0,0|2,0,0]=3 3907 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [0,1,0,0,0,0|2,0,0]=3 3908 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [0,1,0,0,0,0|2,0,0]=3 3909 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [0,1,0,0,0,0|2,0,0]=3 3910 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [0,1,0,0,0,0|1,0,0]=2 3911 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [0,1,0,0,0,0|1,0,0]=2 3912 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [0,1,0,0,0,0|2,0,0]=3 3913 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [0,1,0,0,0,0|2,0,0]=3 3914 B14R0.337 CCSCCCOCCOCC(=O)OC 34a_100011216438_100000090808 [0,1,0,0,0,0|3,0,0]=4 3915 B14R0.337 CCSCCCOCCOCC(=O)OC 7a_100011216438_100000090808 [0,1,0,0,0,0|3,0,0]=4 3916 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [0,1,0,0,0,0|2,0,0]=3 3917 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [0,1,0,0,0,0|2,0,0]=3 3918 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [0,1,0,0,0,0|2,0,0]=3 3919 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [0,1,0,0,0,0|2,0,0]=3 3920 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [0,1,0,0,0,0|2,0,0]=3 3921 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [0,1,0,0,0,0|2,0,0]=3 3922 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [0,1,0,0,0,0|2,0,0]=3 3923 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [0,1,0,0,0,0|2,0,0]=3 3924 B14R0.337 CNC(=O)CCCNCCCCCCF 2230a_100000740002_100015922095 [0,1,0,0,0,0|3,0,0]=4 3925 B14R0.337 CNC(=O)CCCNCCCCCCF 34a_100000740002_100015922095 [0,1,0,0,0,0|3,0,0]=4 3926 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000686447_100000741757 [0,1,0,0,0,0|3,0,0]=4 3927 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000740002_100000766143 [0,1,0,0,0,0|3,0,0]=4 3928 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000686447_100000741757 [0,1,0,0,0,0|3,0,0]=4 3929 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000740002_100000766143 [0,1,0,0,0,0|3,0,0]=4 3930 B14R0.337 CNC(=O)CCCNCCCCCOC 2230a_100000747528_100000741757 [0,1,0,0,0,0|3,0,0]=4 3931 B14R0.337 CNC(=O)CCCNCCCCCOC 34a_100000747528_100000741757 [0,1,0,0,0,0|3,0,0]=4 3932 B14R0.337 CNC(=O)CCCOCCCCCCBr 34a_100011215345_100000741757 [0,1,0,0,0,0|3,0,0]=4 3933 B14R0.337 CNC(=O)CCCOCCCCCCBr 7a_100011215345_100000741757 [0,1,0,0,0,0|3,0,0]=4 3934 B14R0.337 CNC(=O)CCCOCCCCCCCl 34a_100000766143_100000741757 [0,1,0,0,0,0|3,0,0]=4 3935 B14R0.337 CNC(=O)CCCOCCCCCCCl 7a_100000766143_100000741757 [0,1,0,0,0,0|3,0,0]=4 3936 B14R0.337 CNC(=O)CCCOCCCCCCF 34a_100000732779_100000741757 [0,1,0,0,0,0|3,0,0]=4 3937 B14R0.337 CNC(=O)CCCOCCCCCCF 7a_100000732779_100000741757 [0,1,0,0,0,0|3,0,0]=4 3938 B14R0.337 CNC(=O)CCCOCCCCCCN 34a_100000686447_100000741757 [0,1,0,0,0,0|3,0,0]=4 3939 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100000741757_100015922095 [0,1,0,0,0,0|3,0,0]=4 3940 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100015922095_100000741757 [0,1,0,0,0,0|3,0,0]=4 3941 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000741757_100000766143 [0,1,0,0,0,0|3,0,0]=4 3942 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000766143_100000741757 [0,1,0,0,0,0|3,0,0]=4 3943 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100000738227_100000760002 [0,1,0,0,0,0|3,0,0]=4 3944 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100011996573_100000737683 [0,1,0,0,0,0|3,0,0]=4 3945 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100000738227_100000760002 [0,1,0,0,0,0|3,0,0]=4 3946 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100011996573_100012179268 [0,1,0,0,0,0|3,0,0]=4 3947 B14R0.337 CNC(=O)CCNCCCCCCOC 2230a_100000738227_100011998445 [0,1,0,0,0,0|3,0,0]=4 3948 B14R0.337 CNC(=O)CCNCCCCCCOC 34a_100000738227_100011998445 [0,1,0,0,0,0|3,0,0]=4 3949 B14R0.337 CNC(=O)CCOCCCCCCCBr 34a_100000760002_100012179268 [0,1,0,0,0,0|3,0,0]=4 3950 B14R0.337 CNC(=O)CCOCCCCCCCBr 7a_100000760002_100000737683 [0,1,0,0,0,0|3,0,0]=4 3951 B14R0.337 CNC(=O)CCOCCCCCCCN 34a_100011996573_100012179268 [0,1,0,0,0,0|3,0,0]=4 3952 B14R0.337 CNC(=O)CCOCCCCCCCO 34a_100000754576_100000760002 [0,1,0,0,0,0|3,0,0]=4 3953 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_100000754576_100011998445 [0,1,0,0,0,0|3,0,0]=4 3954 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_200012092642_100012179268 [0,1,0,0,0,0|3,0,0]=4 3955 B14R0.337 CNC(=O)CCOCCCCCCOC 7a_200012092642_100000737683 [0,1,0,0,0,0|3,0,0]=4 3956 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000737683_100000760002 [0,1,0,0,0,0|3,0,0]=4 3957 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000760002_100000737683 [0,1,0,0,0,0|3,0,0]=4 3958 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100000737683_100011998445 [0,1,0,0,0,0|3,0,0]=4 3959 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100011998445_100000737683 [0,1,0,0,0,0|3,0,0]=4 3960 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_100000693194_100000033203 [0,1,0,0,0,0|3,0,0]=4 3961 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183359 [0,1,0,0,0,0|3,0,0]=4 3962 B14R0.337 CNC(=O)CNCCCCCCCCO 34a_102515433106_100000183359 [0,1,0,0,0,0|3,0,0]=4 3963 B14R0.337 CNC(=O)COCCCCCCCCBr 34a_100009813846_100000183359 [0,1,0,0,0,0|3,0,0]=4 3964 B14R0.337 CNC(=O)COCCCCCCCCBr 7a_100009813846_100000183359 [0,1,0,0,0,0|3,0,0]=4 3965 B14R0.337 CNC(=O)COCCCCCCCCCl 34a_100000033203_100000183359 [0,1,0,0,0,0|3,0,0]=4 3966 B14R0.337 CNC(=O)COCCCCCCCCCl 7a_100000033203_100000183359 [0,1,0,0,0,0|3,0,0]=4 3967 B14R0.337 CNC(=O)COCCCCCCCCN 34a_102515433106_100000183359 [0,1,0,0,0,0|3,0,0]=4 3968 B14R0.337 CNC(=O)COCCCCCCCCO 34a_100000750040_100000033203 [0,1,0,0,0,0|3,0,0]=4 3969 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000033203_100000183359 [0,1,0,0,0,0|3,0,0]=4 3970 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000183359_100000033203 [0,1,0,0,0,0|3,0,0]=4 3971 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100000078944_106832991635 [0,1,0,0,0,0|3,0,0]=4 3972 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100102657272_100000078944 [0,1,0,0,0,0|3,0,0]=4 3973 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100000078944_100102657272 [0,1,0,0,0,0|3,0,0]=4 3974 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100102657272_100000078944 [0,1,0,0,0,0|3,0,0]=4 3975 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_100000078944_100102657272 [0,1,0,0,0,0|3,0,0]=4 3976 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_106832991638_100000078944 [0,1,0,0,0,0|3,0,0]=4 3977 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [0,1,0,0,0,0|1,0,0]=2 3978 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [0,1,0,0,0,0|1,0,0]=2 3979 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [0,1,0,0,0,0|1,0,0]=2 3980 B14R0.337 CNCCCCCOCCCC(=O)NC 34a_100000722520_100000741757 [0,1,0,0,0,0|3,0,0]=4 3981 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [0,1,0,0,0,0|2,0,0]=3 3982 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [0,1,0,0,0,0|2,0,0]=3 3983 B14R0.337 CNCCOCCOCCCC(=O)OC 34a_100000228057_100000742333 [0,1,0,0,0,0|3,0,0]=4 3984 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [0,1,0,0,0,0|1,0,0]=2 3985 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [0,1,0,0,0,0|1,0,0]=2 3986 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [0,1,0,0,0,0|2,0,0]=3 3987 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [0,1,0,0,0,0|2,0,0]=3 3988 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [0,1,0,0,0,0|2,0,0]=3 3989 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [0,1,0,0,0,0|2,0,0]=3 3990 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [0,1,0,0,0,0|2,0,0]=3 3991 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [0,1,0,0,0,0|2,0,0]=3 3992 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [0,1,0,0,0,0|2,0,0]=3 3993 B14R0.337 COC(=O)CCCCCCCOCC#N 7a_100011022521_100011215382 [0,1,0,0,0,0|2,0,1]=4 3994 B14R0.337 COC(=O)CCCCCCCOCC=O 34a_100011022521_200009817547 [0,1,0,0,0,0|2,0,1]=4 3995 B14R0.337 COC(=O)CCCCCCCOCC=O 7a_100011022521_200015260668 [0,1,0,0,0,0|2,0,1]=4 3996 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [0,1,0,0,0,0|2,0,0]=3 3997 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [0,1,0,0,0,0|2,0,0]=3 3998 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [0,1,0,0,0,0|2,0,0]=3 3999 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [0,1,0,0,0,0|2,0,0]=3 4000 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [0,1,0,0,0,0|2,0,0]=3 4001 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [0,1,0,0,0,0|2,0,0]=3 4002 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [0,1,0,0,0,0|2,0,0]=3 4003 B14R0.337 COC(=O)CCCCCCCSCC#N 62a_100010004213_100011215382 [0,1,0,0,0,0|2,0,1]=4 4004 B14R0.337 COC(=O)CCCCCCCSCC#N 62a_100011215382_100010004213 [0,1,0,0,0,0|2,0,1]=4 4005 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_100010004213_200015260668 [0,1,0,0,0,0|2,0,1]=4 4006 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_200015260668_100010004213 [0,1,0,0,0,0|2,0,1]=4 4007 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [0,1,0,0,0,0|2,0,0]=3 4008 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [0,1,0,0,0,0|2,0,0]=3 4009 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [0,1,0,0,0,0|2,0,0]=3 4010 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [0,1,0,0,0,0|2,0,0]=3 4011 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [0,1,0,0,0,0|2,0,0]=3 4012 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [0,1,0,0,0,0|2,0,0]=3 4013 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [0,1,0,0,0,0|2,0,0]=3 4014 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [0,1,0,0,0,0|2,0,0]=3 4015 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [0,1,0,0,0,0|2,0,0]=3 4016 B14R0.337 COC(=O)CCCCCCOCCC#N 7a_100009863599_100000184422 [0,1,0,0,0,0|2,0,1]=4 4017 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [0,1,0,0,0,0|2,0,0]=3 4018 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [0,1,0,0,0,0|2,0,0]=3 4019 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [0,1,0,0,0,0|2,0,0]=3 4020 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [0,1,0,0,0,0|2,0,0]=3 4021 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [0,1,0,0,0,0|2,0,0]=3 4022 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [0,1,0,0,0,0|2,0,0]=3 4023 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [0,1,0,0,0,0|2,0,0]=3 4024 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [0,1,0,0,0,0|2,0,0]=3 4025 B14R0.337 COC(=O)CCCCCCOCCON 34a_100000700252_100009815986 [0,1,0,0,0,0|3,0,0]=4 4026 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [0,1,0,0,0,0|2,0,0]=3 4027 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [0,1,0,0,0,0|2,0,0]=3 4028 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [0,1,0,0,0,0|2,0,0]=3 4029 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [0,1,0,0,0,0|2,0,0]=3 4030 B14R0.337 COC(=O)CCCCCCSCCC#N 62a_100009815986_100011215226 [0,1,0,0,0,0|2,0,1]=4 4031 B14R0.337 COC(=O)CCCCCCSCCC#N 62a_100011215226_100009815986 [0,1,0,0,0,0|2,0,1]=4 4032 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [0,1,0,0,0,0|2,0,0]=3 4033 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [0,1,0,0,0,0|2,0,0]=3 4034 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [0,1,0,0,0,0|2,0,0]=3 4035 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [0,1,0,0,0,0|2,0,0]=3 4036 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [0,1,0,0,0,0|2,0,0]=3 4037 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [0,1,0,0,0,0|2,0,0]=3 4038 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [0,1,0,0,0,0|2,0,0]=3 4039 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [0,1,0,0,0,0|2,0,0]=3 4040 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [0,1,0,0,0,0|2,0,0]=3 4041 B14R0.337 COC(=O)CCCCCOCCCC#N 7a_100000074720_100000687738 [0,1,0,0,0,0|2,0,1]=4 4042 B14R0.337 COC(=O)CCCCCOCCCC=O 7a_100000074720_200011292268 [0,1,0,0,0,0|2,0,1]=4 4043 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [0,1,0,0,0,0|2,0,0]=3 4044 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [0,1,0,0,0,0|2,0,0]=3 4045 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [0,1,0,0,0,0|2,0,0]=3 4046 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [0,1,0,0,0,0|2,0,0]=3 4047 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [0,1,0,0,0,0|2,0,0]=3 4048 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [0,1,0,0,0,0|2,0,0]=3 4049 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [0,1,0,0,0,0|2,0,0]=3 4050 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [0,1,0,0,0,0|2,0,0]=3 4051 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [0,1,0,0,0,0|2,0,0]=3 4052 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [0,1,0,0,0,0|2,0,0]=3 4053 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [0,1,0,0,0,0|2,0,0]=3 4054 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [0,1,0,0,0,0|2,0,0]=3 4055 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [0,1,0,0,0,0|2,0,0]=3 4056 B14R0.337 COC(=O)CCCCCSCCCC#N 62a_100000687738_100009816466 [0,1,0,0,0,0|2,0,1]=4 4057 B14R0.337 COC(=O)CCCCCSCCCC#N 62a_100009816466_100000687738 [0,1,0,0,0,0|2,0,1]=4 4058 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_100009816466_200011292268 [0,1,0,0,0,0|2,0,1]=4 4059 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_200011292268_100009816466 [0,1,0,0,0,0|2,0,1]=4 4060 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [0,1,0,0,0,0|2,0,0]=3 4061 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [0,1,0,0,0,0|2,0,0]=3 4062 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [0,1,0,0,0,0|2,0,0]=3 4063 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [0,1,0,0,0,0|2,0,0]=3 4064 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [0,1,0,0,0,0|2,0,0]=3 4065 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [0,1,0,0,0,0|2,0,0]=3 4066 B14R0.337 COC(=O)CCCCNCCOCCO 2230a_100000211614_100000204269 [0,1,0,0,0,0|3,0,0]=4 4067 B14R0.337 COC(=O)CCCCNCCOCCO 34a_100000211614_100000204269 [0,1,0,0,0,0|3,0,0]=4 4068 B14R0.337 COC(=O)CCCCNCCSCCO 2230a_100011219999_100000204269 [0,1,0,0,0,0|3,0,0]=4 4069 B14R0.337 COC(=O)CCCCOCCCCC#N 7a_100000059025_100000211819 [0,1,0,0,0,0|2,0,1]=4 4070 B14R0.337 COC(=O)CCCCOCCCCC=O 7a_100000059025_100000139335 [0,1,0,0,0,0|2,0,1]=4 4071 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [0,1,0,0,0,0|2,0,0]=3 4072 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [0,1,0,0,0,0|2,0,0]=3 4073 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [0,1,0,0,0,0|2,0,0]=3 4074 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [0,1,0,0,0,0|2,0,0]=3 4075 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [0,1,0,0,0,0|2,0,0]=3 4076 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [0,1,0,0,0,0|2,0,0]=3 4077 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [0,1,0,0,0,0|2,0,0]=3 4078 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [0,1,0,0,0,0|2,0,0]=3 4079 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [0,1,0,0,0,0|2,0,0]=3 4080 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [0,1,0,0,0,0|2,0,0]=3 4081 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [0,1,0,0,0,0|2,0,0]=3 4082 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [0,1,0,0,0,0|2,0,0]=3 4083 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [0,1,0,0,0,0|2,0,0]=3 4084 B14R0.337 COC(=O)CCCCOCCOCCBr 34a_100000692535_100000204269 [0,1,0,0,0,0|3,0,0]=4 4085 B14R0.337 COC(=O)CCCCOCCOCCBr 7a_100000692535_100000204269 [0,1,0,0,0,0|3,0,0]=4 4086 B14R0.337 COC(=O)CCCCOCCOCCCl 34a_100011215305_100000204269 [0,1,0,0,0,0|3,0,0]=4 4087 B14R0.337 COC(=O)CCCCOCCOCCCl 7a_100011215305_100000204269 [0,1,0,0,0,0|3,0,0]=4 4088 B14R0.337 COC(=O)CCCCOCCOCCF 34a_200015357709_100000204269 [0,1,0,0,0,0|3,0,0]=4 4089 B14R0.337 COC(=O)CCCCOCCOCCF 7a_200015357709_100000204269 [0,1,0,0,0,0|3,0,0]=4 4090 B14R0.337 COC(=O)CCCCOCCOCCI 34a_100012149058_100000204269 [0,1,0,0,0,0|3,0,0]=4 4091 B14R0.337 COC(=O)CCCCOCCOCCI 7a_100012149058_100000204269 [0,1,0,0,0,0|3,0,0]=4 4092 B14R0.337 COC(=O)CCCCOCCOCCN 34a_100000211614_100000204269 [0,1,0,0,0,0|3,0,0]=4 4093 B14R0.337 COC(=O)CCCCOCCOCCO 34a_100000059025_100000692535 [0,1,0,0,0,0|3,0,0]=4 4094 B14R0.337 COC(=O)CCCCOCCOCCO 7a_100000059025_100011215305 [0,1,0,0,0,0|3,0,0]=4 4095 B14R0.337 COC(=O)CCCCSCCCCC#N 62a_100000204269_100000211819 [0,1,0,0,0,0|2,0,1]=4 4096 B14R0.337 COC(=O)CCCCSCCCCC#N 62a_100011219923_100000204269 [0,1,0,0,0,0|2,0,1]=4 4097 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000139335_100000204269 [0,1,0,0,0,0|2,0,1]=4 4098 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000204269_100000139335 [0,1,0,0,0,0|2,0,1]=4 4099 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [0,1,0,0,0,0|2,0,0]=3 4100 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [0,1,0,0,0,0|2,0,0]=3 4101 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [0,1,0,0,0,0|2,0,0]=3 4102 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [0,1,0,0,0,0|2,0,0]=3 4103 B14R0.337 COC(=O)CCCCSCCOCCO 62a_100000204269_100011215305 [0,1,0,0,0,0|3,0,0]=4 4104 B14R0.337 COC(=O)CCCCSCCOCCO 62a_100011215305_100000204269 [0,1,0,0,0,0|3,0,0]=4 4105 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [0,1,0,0,0,0|2,0,0]=3 4106 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [0,1,0,0,0,0|2,0,0]=3 4107 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [0,1,0,0,0,0|2,0,0]=3 4108 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [0,1,0,0,0,0|2,0,0]=3 4109 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [0,1,0,0,0,0|2,0,0]=3 4110 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [0,1,0,0,0,0|2,0,0]=3 4111 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [0,1,0,0,0,0|2,0,0]=3 4112 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [0,1,0,0,0,0|2,0,0]=3 4113 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [0,1,0,0,0,0|2,0,0]=3 4114 B14R0.337 COC(=O)CCCSCCCCCC#N 62a_100009813376_100011218270 [0,1,0,0,0,0|2,0,1]=4 4115 B14R0.337 COC(=O)CCCSCCCCCC#N 62a_100011218270_100009813376 [0,1,0,0,0,0|2,0,1]=4 4116 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100000139337_100011218270 [0,1,0,0,0,0|2,0,1]=4 4117 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100011218270_100000139337 [0,1,0,0,0,0|2,0,1]=4 4118 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [0,1,0,0,0,0|2,0,0]=3 4119 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [0,1,0,0,0,0|2,0,0]=3 4120 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [0,1,0,0,0,0|2,0,0]=3 4121 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [0,1,0,0,0,0|2,0,0]=3 4122 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [0,1,0,0,0,0|2,0,0]=3 4123 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [0,1,0,0,0,0|2,0,0]=3 4124 B14R0.337 COC(=O)CCNCCCOCCCO 2230a_100011310245_100000204255 [0,1,0,0,0,0|3,0,0]=4 4125 B14R0.337 COC(=O)CCNCCCOCCCO 34a_100011310245_100000742370 [0,1,0,0,0,0|3,0,0]=4 4126 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [0,1,0,0,0,0|2,0,0]=3 4127 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [0,1,0,0,0,0|2,0,0]=3 4128 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [0,1,0,0,0,0|2,0,0]=3 4129 B14R0.337 COC(=O)CCOCCCOCCCN 34a_100011310245_100000742370 [0,1,0,0,0,0|3,0,0]=4 4130 B14R0.337 COC(=O)CCSCCCCCCC#N 62a_100000204255_100009813337 [0,1,0,0,0,0|2,0,1]=4 4131 B14R0.337 COC(=O)CCSCCCCCCC#N 62a_100009813337_100000204255 [0,1,0,0,0,0|2,0,1]=4 4132 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [0,1,0,0,0,0|2,0,0]=3 4133 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [0,1,0,0,0,0|2,0,0]=3 4134 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [0,1,0,0,0,0|2,0,0]=3 4135 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [0,1,0,0,0,0|2,0,0]=3 4136 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [0,1,0,0,0,0|2,0,0]=3 4137 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [0,1,0,0,0,0|2,0,0]=3 4138 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [0,1,0,0,0,0|2,0,0]=3 4139 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [0,1,0,0,0,0|2,0,0]=3 4140 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [0,1,0,0,0,0|2,0,0]=3 4141 B14R0.337 COC(=O)COCCCCCNCCN 34a_103619048469_100000747449 [0,1,0,0,0,0|3,0,0]=4 4142 B14R0.337 COC(=O)COCCNCCCCCO 2230a_100000762737_100000090808 [0,1,0,0,0,0|3,0,0]=4 4143 B14R0.337 COC(=O)COCCNCCCCCO 34a_100000762737_100000090808 [0,1,0,0,0,0|3,0,0]=4 4144 B14R0.337 COC(=O)COCCOCCCCCBr 34a_100000746331_100000090808 [0,1,0,0,0,0|3,0,0]=4 4145 B14R0.337 COC(=O)COCCOCCCCCBr 7a_100000746331_100000090808 [0,1,0,0,0,0|3,0,0]=4 4146 B14R0.337 COC(=O)COCCOCCCCCCl 34a_100000746330_100000090808 [0,1,0,0,0,0|3,0,0]=4 4147 B14R0.337 COC(=O)COCCOCCCCCCl 7a_100000746330_100000090808 [0,1,0,0,0,0|3,0,0]=4 4148 B14R0.337 COC(=O)COCCOCCCCCI 34a_200012148887_100000090808 [0,1,0,0,0,0|3,0,0]=4 4149 B14R0.337 COC(=O)COCCOCCCCCI 7a_200012148887_100000090808 [0,1,0,0,0,0|3,0,0]=4 4150 B14R0.337 COC(=O)COCCOCCCCCN 34a_100000762737_100000090808 [0,1,0,0,0,0|3,0,0]=4 4151 B14R0.337 COC(=O)COCCOCCCCSC 34a_100011217163_100000090808 [0,1,0,0,0,0|3,0,0]=4 4152 B14R0.337 COC(=O)COCCOCCCCSC 7a_100011217163_100000090808 [0,1,0,0,0,0|3,0,0]=4 4153 B14R0.337 COC(=O)COCCSCCCCCF 62a_100000090808_100000729378 [0,1,0,0,0,0|3,0,0]=4 4154 B14R0.337 COC(=O)COCCSCCCCCF 62a_100000729378_100000090808 [0,1,0,0,0,0|3,0,0]=4 4155 B14R0.337 COC(=O)COCCSCCCCCO 62a_100000090808_100000746330 [0,1,0,0,0,0|3,0,0]=4 4156 B14R0.337 COC(=O)COCCSCCCCCO 62a_100000746330_100000090808 [0,1,0,0,0,0|3,0,0]=4 4157 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [0,1,0,0,0,0|2,0,0]=3 4158 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [0,1,0,0,0,0|2,0,0]=3 4159 B14R0.337 COC(=O)NCCOCCCCCCF 34a_100000757965_100015922095 [0,1,0,0,0,0|3,0,0]=4 4160 B14R0.337 COC(=O)NCCOCCCCCCO 34a_100000757965_100000766143 [0,1,0,0,0,0|3,0,0]=4 4161 B14R0.337 COC(=O)OCCOCCCCCCF 34a_100010262106_100015922095 [0,1,0,0,0,0|3,0,0]=4 4162 B14R0.337 COC(=O)OCCOCCCCCCO 34a_100010262106_100000766143 [0,1,0,0,0,0|3,0,0]=4 4163 B14R0.337 COC(=O)OCSCCCCCCCO 62a_100000760002_100000139417 [0,1,0,0,0,0|3,0,0]=4 4164 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [0,1,0,0,0,0|1,0,0]=2 4165 B14R0.337 COCCCCCCOCCC(=NO)N 34a_100000749954_100011998445 [0,1,0,0,0,0|3,0,0]=4 4166 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [0,1,0,0,0,0|2,0,0]=3 4167 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [0,1,0,0,0,0|2,0,0]=3 4168 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [0,1,0,0,0,0|2,0,0]=3 4169 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [0,1,0,0,0,0|2,0,0]=3 4170 B14R0.337 COCCCCCCSCOC(=O)OC 62a_100011998445_100000139417 [0,1,0,0,0,0|3,0,0]=4 4171 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [0,1,0,0,0,0|2,0,0]=3 4172 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [0,1,0,0,0,0|2,0,0]=3 4173 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [0,1,0,0,0,0|2,0,0]=3 4174 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [0,1,0,0,0,0|2,0,0]=3 4175 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [0,1,0,0,0,0|2,0,0]=3 4176 B14R0.337 COCCCCOCCOCC(=O)OC 34a_100000740925_100000090808 [0,1,0,0,0,0|3,0,0]=4 4177 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [0,1,0,0,0,0|2,0,0]=3 4178 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [0,1,0,0,0,0|2,0,0]=3 4179 B14R0.337 COCCCCSCCOCC(=O)OC 62a_100000090808_100000730899 [0,1,0,0,0,0|3,0,0]=4 4180 B14R0.337 COCCCCSCCOCC(=O)OC 62a_100000730899_100000090808 [0,1,0,0,0,0|3,0,0]=4 4181 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [0,1,0,0,0,0|2,0,0]=3 4182 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [0,1,0,0,0,0|2,0,0]=3 4183 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [0,1,0,0,0,0|2,0,0]=3 4184 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [0,1,0,0,0,0|2,0,0]=3 4185 B14R0.337 COCCCOCCCOCC(=O)OC 34a_200011215475_100000747449 [0,1,0,0,0,0|3,0,0]=4 4186 B14R0.337 COCCCOCCCOCC(=O)OC 7a_200011215475_100000747449 [0,1,0,0,0,0|3,0,0]=4 4187 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [0,1,0,0,0,0|2,0,0]=3 4188 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [0,1,0,0,0,0|2,0,0]=3 4189 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [0,1,0,0,0,0|2,0,0]=3 4190 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [0,1,0,0,0,0|2,0,0]=3 4191 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [0,1,0,0,0,0|2,0,0]=3 4192 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [0,1,0,0,0,0|2,0,0]=3 4193 B14R0.337 COCCOCCCNCCC(=O)OC 2230a_100000206027_100000204255 [0,1,0,0,0,0|3,0,0]=4 4194 B14R0.337 COCCOCCCNCCC(=O)OC 34a_100000206027_100000742370 [0,1,0,0,0,0|3,0,0]=4 4195 B14R0.337 COCCOCCCSCCC(=O)OC 62a_100000204255_100011216529 [0,1,0,0,0,0|3,0,0]=4 4196 B14R0.337 COCCOCCCSCCC(=O)OC 62a_100011216529_100000204255 [0,1,0,0,0,0|3,0,0]=4 4197 B14R0.337 COCCOCCNCCCC(=O)OC 2230a_100000745349_100011218270 [0,1,0,0,0,0|3,0,0]=4 4198 B14R0.337 COCCOCCNCCCC(=O)OC 34a_100000745349_100000742333 [0,1,0,0,0,0|3,0,0]=4 4199 B14R0.337 COCCOCCOCCCC(=O)OC 34a_100011215163_100000742333 [0,1,0,0,0,0|3,0,0]=4 4200 B14R0.337 COCCOCCOCCCC(=O)OC 7a_100011215163_100011218270 [0,1,0,0,0,0|3,0,0]=4 4201 B14R0.337 COCCOCCSCCCC(=O)OC 62a_100000695917_100011218270 [0,1,0,0,0,0|3,0,0]=4 4202 B14R0.337 COCCOCCSCCCC(=O)OC 62a_100011218270_100000695917 [0,1,0,0,0,0|3,0,0]=4 4203 B14R0.337 COCCOCSCCCCC(=O)OC 62a_100000204269_100000231047 [0,1,0,0,0,0|3,0,0]=4 4204 B14R0.337 COCCOCSCCCCC(=O)OC 62a_100000231047_100000204269 [0,1,0,0,0,0|3,0,0]=4 4205 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [0,1,0,0,0,0|2,0,0]=3 4206 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [0,1,0,0,0,0|2,0,0]=3 4207 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [0,1,0,0,0,0|2,0,0]=3 4208 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [0,1,0,0,0,0|2,0,0]=3 4209 B14R0.337 NC(=NO)CCOCCCCCCCO 34a_100000749954_100000760002 [0,1,0,0,0,0|3,0,0]=4 4210 B14R0.337 NNC(=O)CCCOCCCCCCF 34a_100000211488_100015922095 [0,1,0,0,0,0|3,0,0]=4 4211 B14R0.337 NNC(=O)CCCOCCCCCCO 34a_100000211488_100000766143 [0,1,0,0,0,0|3,0,0]=4 4212 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [0,1,0,0,0,0|1,0,0]=2 4213 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [0,1,0,0,0,0|2,0,0]=3 4214 B14R0.340 C#CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100153394163 [0,1,0,0,0,0|1,0,2]=4 4215 B14R0.340 C#CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100012276617 [0,1,0,0,0,0|1,0,2]=4 4216 B14R0.340 C#CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100012276617 [0,1,0,0,0,0|1,0,2]=4 4217 B14R0.340 C=C(C)C(=O)CCCCCCCCCC 1458a_100000185857_100000210319 [0,1,0,0,0,0|2,0,1]=4 4218 B14R0.340 C=C(C)C(C)NCCCCCCCCC 269862a_100000212291_100011216138 [0,1,0,0,0,0|3,0,0]=4 4219 B14R0.340 C=CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012355270 [0,1,0,0,0,0|1,0,2]=4 4220 B14R0.340 C=CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011215473 [0,1,0,0,0,0|1,0,2]=4 4221 B14R0.340 C=CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011215473 [0,1,0,0,0,0|1,0,2]=4 4222 B14R0.340 CC(=O)C(C)COCCCCCCCO 34a_100000032740_100000760002 [0,1,0,0,0,0|3,0,0]=4 4223 B14R0.340 CC(=O)C(C)COCCCCCCCO 7a_100000032740_100000760002 [0,1,0,0,0,0|3,0,0]=4 4224 B14R0.340 CC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100009814033 [0,1,0,0,0,0|3,0,0]=4 4225 B14R0.340 CC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000179758 [0,1,0,0,0,0|3,0,0]=4 4226 B14R0.340 CC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000179758 [0,1,0,0,0,0|3,0,0]=4 4227 B14R0.340 CC(=O)C(C)OCCCCCCCCO 34a_100000212229_100000033203 [0,1,0,0,0,0|3,0,0]=4 4228 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100000033203_100009814033 [0,1,0,0,0,0|3,0,0]=4 4229 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100009814033_100000033203 [0,1,0,0,0,0|3,0,0]=4 4230 B14R0.340 CC(CNCCCCCCC#N)C(=O)O 269956a_100000749485_100009813337 [0,1,0,0,0,0|2,0,1]=4 4231 B14R0.340 CC(CNCCCCCCCO)C(=O)O 269956a_100000749485_100000760002 [0,1,0,0,0,0|2,0,0]=3 4232 B14R0.340 CC(NCCCCCCCCO)C(=O)N 2230a_102515433106_100000702099 [0,1,0,0,0,0|3,0,0]=4 4233 B14R0.340 CC(NCCCCCCCCO)C(=O)N 34a_102515433106_100000702099 [0,1,0,0,0,0|3,0,0]=4 4234 B14R0.340 CC(OCCCCCCCCBr)C(=O)N 34a_100009813846_100000702099 [0,1,0,0,0,0|3,0,0]=4 4235 B14R0.340 CC(OCCCCCCCCBr)C(=O)N 7a_100009813846_100000702099 [0,1,0,0,0,0|3,0,0]=4 4236 B14R0.340 CC(OCCCCCCCCCl)C(=O)N 34a_100000033203_100000702099 [0,1,0,0,0,0|3,0,0]=4 4237 B14R0.340 CC(OCCCCCCCCCl)C(=O)N 7a_100000033203_100000702099 [0,1,0,0,0,0|3,0,0]=4 4238 B14R0.340 CC(OCCCCCCCCN)C(=O)N 34a_102515433106_100000702099 [0,1,0,0,0,0|3,0,0]=4 4239 B14R0.340 CC(SCCCCCCCCO)C(=O)N 62a_100000033203_100000702099 [0,1,0,0,0,0|3,0,0]=4 4240 B14R0.340 CC(SCCCCCCCCO)C(=O)N 62a_100000702099_100000033203 [0,1,0,0,0,0|3,0,0]=4 4241 B14R0.340 CCCCC#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_200000047210 [0,1,0,0,0,0|1,0,2]=4 4242 B14R0.340 CCCCCC#CCNCC(C)C(=O)O 269956a_100000749485_100009816472 [0,1,0,0,0,0|1,0,2]=4 4243 B14R0.340 CCCCCC#CCNCC(F)C(=O)O 269956a_100000084737_100009816472 [0,1,0,0,0,0|1,0,2]=4 4244 B14R0.340 CCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210319 [0,1,0,0,0,0|0,0,3]=4 4245 B14R0.340 CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210319 [0,1,0,0,0,0|1,0,2]=4 4246 B14R0.340 CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210319 [0,1,0,0,0,0|1,0,2]=4 4247 B14R0.340 CCCCCCCCCCC(C)N(C)C 270004a_100102631434_200011219864 [0,1,0,0,0,0|3,0,0]=4 4248 B14R0.340 CCCCCCCCCCN(C)C(=O)C 11a_100000207566_100015343762 [0,1,0,0,0,0|2,0,0]=3 4249 B14R0.340 CCCCCCCCCCN(C)C(=O)C 1626a_100000207566_100015343762 [0,1,0,0,0,0|2,0,0]=3 4250 B14R0.340 CCCCCCCCCCN(C)C(=O)C 240690a_100000207566_100015343762 [0,1,0,0,0,0|2,0,0]=3 4251 B14R0.340 CCCCCCCCCCN(C)C(=O)C 527a_100000207566_100103153847 [0,1,0,0,0,0|2,0,0]=3 4252 B14R0.340 CCCCCCCCCNC(=O)C(=O)N 240690a_100000212291_100011215815 [0,1,0,0,0,0|2,0,1]=4 4253 B14R0.340 CCCCCCCCCNC(C)C(=O)C 2230a_100000212291_100009814033 [0,1,0,0,0,0|2,0,0]=3 4254 B14R0.340 CCCCCCCCCNC(C)C(=O)N 2230a_100000212291_100000702099 [0,1,0,0,0,0|2,0,0]=3 4255 B14R0.340 CCCCCCCCCNC(C)C(=O)N 34a_100000212291_100000702099 [0,1,0,0,0,0|2,0,0]=3 4256 B14R0.340 CCCCCCCCCNC(F)C(=O)N 2230a_100000212291_100009813875 [0,1,0,0,0,0|2,0,0]=3 4257 B14R0.340 CCCCCCCCCNC(F)C(=O)N 34a_100000212291_100009813875 [0,1,0,0,0,0|2,0,0]=3 4258 B14R0.340 CCCCCCCCCNC(F)C(=O)[O-] 34a_100000212291_100020610796 [0,1,0,0,0,0|1,0,1]=3 4259 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [0,1,0,0,0,0|1,0,0]=2 4260 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011214924 [0,1,0,0,0,0|2,0,0]=3 4261 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011214924 [0,1,0,0,0,0|2,0,0]=3 4262 B14R0.340 CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011214924 [0,1,0,0,0,0|2,0,0]=3 4263 B14R0.340 CCCCCCCCCOC(C)C(=O)C 7a_100000210712_100000179758 [0,1,0,0,0,0|2,0,0]=3 4264 B14R0.340 CCCCCCCCCOC(C)C(=O)N 34a_100000210712_100000702099 [0,1,0,0,0,0|2,0,0]=3 4265 B14R0.340 CCCCCCCCCOC(C)C(=O)N 7a_100000210712_100000702099 [0,1,0,0,0,0|2,0,0]=3 4266 B14R0.340 CCCCCCCCCOC(F)C(=O)N 34a_100000210712_100009813875 [0,1,0,0,0,0|2,0,0]=3 4267 B14R0.340 CCCCCCCCCOC(F)C(=O)N 7a_100000210712_100009813875 [0,1,0,0,0,0|2,0,0]=3 4268 B14R0.340 CCCCCCCCCOC(F)C(=O)[O-] 34a_100000210712_100020610796 [0,1,0,0,0,0|1,0,1]=3 4269 B14R0.340 CCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210328 [0,1,0,0,0,0|1,0,1]=3 4270 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011214924 [0,1,0,0,0,0|2,0,0]=3 4271 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210328 [0,1,0,0,0,0|2,0,0]=3 4272 B14R0.340 CCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210670 [0,1,0,0,0,0|2,0,0]=3 4273 B14R0.340 CCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210670 [0,1,0,0,0,0|2,0,0]=3 4274 B14R0.340 CCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210670 [0,1,0,0,0,0|2,0,0]=3 4275 B14R0.340 CCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210670 [0,1,0,0,0,0|1,0,1]=3 4276 B14R0.340 CCCCCCCCNCC(=O)C(=O)C 34a_100000229939_100011261029 [0,1,0,0,0,0|2,0,1]=4 4277 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [0,1,0,0,0,0|1,0,0]=2 4278 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [0,1,0,0,0,0|1,0,0]=2 4279 B14R0.340 CCCCCCCCOCC(=O)C(=O)C 34a_100000210232_100011261029 [0,1,0,0,0,0|2,0,1]=4 4280 B14R0.340 CCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210759 [0,1,0,0,0,0|2,0,0]=3 4281 B14R0.340 CCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210759 [0,1,0,0,0,0|2,0,0]=3 4282 B14R0.340 CCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210759 [0,1,0,0,0,0|2,0,1]=4 4283 B14R0.340 CCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210759 [0,1,0,0,0,0|2,0,1]=4 4284 B14R0.340 CCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210759 [0,1,0,0,0,0|2,0,0]=3 4285 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100000210759_100011261029 [0,1,0,0,0,0|2,0,1]=4 4286 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210317 [0,1,0,0,0,0|2,0,1]=4 4287 B14R0.340 CCCCCCOCCOC(C)C(=O)C 7a_100000691444_100000179758 [0,1,0,0,0,0|3,0,0]=4 4288 B14R0.340 CCCCCCOCCOC(C)C(=O)N 34a_100000691444_100000702099 [0,1,0,0,0,0|3,0,0]=4 4289 B14R0.340 CCCCCCOCCOC(C)C(=O)N 7a_100000691444_100000702099 [0,1,0,0,0,0|3,0,0]=4 4290 B14R0.340 CCCCCCOCCOC(F)C(=O)N 34a_100000691444_100009813875 [0,1,0,0,0,0|3,0,0]=4 4291 B14R0.340 CCCCCCOCCOC(F)C(=O)N 7a_100000691444_100009813875 [0,1,0,0,0,0|3,0,0]=4 4292 B14R0.340 CCCCCCOCCOC(F)C(=O)[O-] 34a_100000691444_100020610796 [0,1,0,0,0,0|2,0,1]=4 4293 B14R0.340 CCCCNCCCCOC(C)C(=O)N 34a_200011216965_100000702099 [0,1,0,0,0,0|3,0,0]=4 4294 B14R0.340 CCCCNCCCCOC(F)C(=O)N 34a_200011216965_100009813875 [0,1,0,0,0,0|3,0,0]=4 4295 B14R0.340 CCCCNCCCCOC(F)C(=O)[O-] 34a_200011216965_100020610796 [0,1,0,0,0,0|2,0,1]=4 4296 B14R0.340 CCCCOCCCCOC(C)C(=O)C 7a_200000760531_100000179758 [0,1,0,0,0,0|3,0,0]=4 4297 B14R0.340 CCCCOCCCCOC(C)C(=O)N 34a_200000760531_100000702099 [0,1,0,0,0,0|3,0,0]=4 4298 B14R0.340 CCCCOCCCCOC(C)C(=O)N 7a_200000760531_100000702099 [0,1,0,0,0,0|3,0,0]=4 4299 B14R0.340 CCCCOCCCCOC(F)C(=O)N 34a_200000760531_100009813875 [0,1,0,0,0,0|3,0,0]=4 4300 B14R0.340 CCCCOCCCCOC(F)C(=O)N 7a_200000760531_100009813875 [0,1,0,0,0,0|3,0,0]=4 4301 B14R0.340 CCCCOCCCCOC(F)C(=O)[O-] 34a_200000760531_100020610796 [0,1,0,0,0,0|2,0,1]=4 4302 B14R0.340 CCOCCOCCNCC(C)C(=O)O 269956a_100000749485_100011211534 [0,1,0,0,0,0|3,0,0]=4 4303 B14R0.340 CCOCCOCCNCC(F)C(=O)O 269956a_100000084737_100011211534 [0,1,0,0,0,0|3,0,0]=4 4304 B14R0.340 COCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011998445 [0,1,0,0,0,0|2,0,0]=3 4305 B14R0.340 COCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011998445 [0,1,0,0,0,0|2,0,0]=3 4306 B14R0.340 COCCCCCCOCC(C)C(=O)C 34a_100000032740_100011998445 [0,1,0,0,0,0|3,0,0]=4 4307 B14R0.340 COCCCCCCOCC(C)C(=O)C 7a_100000032740_100011998445 [0,1,0,0,0,0|3,0,0]=4 4308 B14R0.340 COCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011998445 [0,1,0,0,0,0|3,0,0]=4 4309 B14R0.340 COCCOCCCNCC(C)C(=O)O 269956a_100000749485_100011216529 [0,1,0,0,0,0|3,0,0]=4 4310 B14R0.340 COCCOCCCNCC(F)C(=O)O 269956a_100000084737_100011216529 [0,1,0,0,0,0|3,0,0]=4 4311 B14R0.340 C[C@@H](NCCCCCCCCO)C(=O)N 2230a_100000119354_100000033203 [0,1,0,0,0,0|3,0,0]=4 4312 B14R0.340 C[C@@H](NCCCCCCCCO)C(=O)N 34a_100000119354_100000033203 [0,1,0,0,0,0|3,0,0]=4 4313 B14R0.340 C[C@@H](OCCCCCCCCO)C(=O)N 34a_100000731257_100000033203 [0,1,0,0,0,0|3,0,0]=4 4314 B14R0.340 C[C@@H](OCCCCCCCCO)C(=O)N 7a_100000731257_100000033203 [0,1,0,0,0,0|3,0,0]=4 4315 B14R0.340 C[C@H](NCCCCCCCCO)C(=O)O 269956a_100000743915_100000033203 [0,1,0,0,0,0|2,0,0]=3 4316 B14R0.340 C[C@H](OCCCCCCCCO)C(=O)[O-] 7a_217856618621_100000033203 [0,1,0,0,0,0|2,0,1]=4 4317 B14R0.340 N#CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100009813337 [0,1,0,0,0,0|2,0,1]=4 4318 B14R0.340 NC(=O)C(F)NCCCCCCCCO 2230a_102515433106_100009813875 [0,1,0,0,0,0|3,0,0]=4 4319 B14R0.340 NC(=O)C(F)NCCCCCCCCO 34a_102515433106_100009813875 [0,1,0,0,0,0|3,0,0]=4 4320 B14R0.340 NC(=O)C(F)OCCCCCCCCBr 34a_100009813846_100009813875 [0,1,0,0,0,0|3,0,0]=4 4321 B14R0.340 NC(=O)C(F)OCCCCCCCCBr 7a_100009813846_100009813875 [0,1,0,0,0,0|3,0,0]=4 4322 B14R0.340 NC(=O)C(F)OCCCCCCCCCl 34a_100000033203_100009813875 [0,1,0,0,0,0|3,0,0]=4 4323 B14R0.340 NC(=O)C(F)OCCCCCCCCCl 7a_100000033203_100009813875 [0,1,0,0,0,0|3,0,0]=4 4324 B14R0.340 NC(=O)C(F)SCCCCCCCCO 62a_100000033203_100009813875 [0,1,0,0,0,0|3,0,0]=4 4325 B14R0.340 NC(=O)C(F)SCCCCCCCCO 62a_100009813875_100000033203 [0,1,0,0,0,0|3,0,0]=4 4326 B14R0.340 NC(=O)[C@@H](N)COCCCCCCCO 34a_100000729942_100000760002 [0,1,0,0,0,0|3,0,0]=4 4327 B14R0.340 NCCCCCCCCOC(F)C(=O)N 34a_102515433106_100009813875 [0,1,0,0,0,0|3,0,0]=4 4328 B14R0.340 NCCCCCCCCOC(F)C(=O)[O-] 34a_102515433106_100020610796 [0,1,0,0,0,0|2,0,1]=4 4329 B14R0.340 O=C(O)C(F)CNCCCCCCCO 269956a_100000084737_100000760002 [0,1,0,0,0,0|2,0,0]=3 4330 B14R0.340 O=C([O-])C(F)NCCCCCCCCO 34a_102515433106_100020610796 [0,1,0,0,0,0|2,0,1]=4 4331 B14R0.340 O=C([O-])C(F)OCCCCCCCCBr 34a_100009813846_100020610796 [0,1,0,0,0,0|2,0,1]=4 4332 B14R0.340 O=C([O-])C(F)OCCCCCCCCCl 34a_100000033203_100020610796 [0,1,0,0,0,0|2,0,1]=4 4333 B14R0.340 O=C([O-])C(F)SCCCCCCCCO 62a_100000033203_100020610796 [0,1,0,0,0,0|2,0,1]=4 4334 B14R0.340 O=C([O-])C(F)SCCCCCCCCO 62a_100020610796_100000033203 [0,1,0,0,0,0|2,0,1]=4 4335 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_100000210188_100000730704 [0,1,0,0,0,0|2,0,1]=4 4336 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_200000688413_100000210759 [0,1,0,0,0,0|2,0,1]=4 4337 B14R0.344 C=C(C)CCC(C)NCCCCCCC 270004a_100000229938_100011215600 [0,1,0,0,0,0|3,0,0]=4 4338 B14R0.344 C=C(C)CCN(C)CCCCCCCC 2230a_100000207567_100000730704 [0,1,0,0,0,0|3,0,0]=4 4339 B14R0.344 C=C(C)CCN(C)CCCCCCCC 269982a_100000207567_100000730704 [0,1,0,0,0,0|3,0,0]=4 4340 B14R0.344 C=C(C)COC(C)CCCCCCCC 34a_100000210740_100000748629 [0,1,0,0,0,0|3,0,0]=4 4341 B14R0.344 C=C(C)COC(C)CCCCCCCC 7a_100000210740_100000748629 [0,1,0,0,0,0|3,0,0]=4 4342 B14R0.344 C=C(F)COC(C)CCCCCCCC 34a_100000210740_100009893438 [0,1,0,0,0,0|3,0,0]=4 4343 B14R0.344 C=C(F)COC(C)CCCCCCCC 7a_100000210740_100000042424 [0,1,0,0,0,0|3,0,0]=4 4344 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [0,1,0,0,0,0|1,0,1]=3 4345 B14R0.344 CCCCCCCCC(=O)CCC(C)O 1458a_100000210188_100012276601 [0,1,0,0,0,0|1,0,2]=4 4346 B14R0.344 CCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210759 [0,1,0,0,0,0|1,0,2]=4 4347 B14R0.344 CCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210759 [0,1,0,0,0,0|2,0,1]=4 4348 B14R0.344 CCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210759 [0,1,0,0,0,0|2,0,1]=4 4349 B14R0.344 CCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210759 [0,1,0,0,0,0|2,0,1]=4 4350 B14R0.344 CCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210759 [0,1,0,0,0,0|2,0,1]=4 4351 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210188 [0,1,0,0,0,0|2,0,1]=4 4352 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210188 [0,1,0,0,0,0|2,0,1]=4 4353 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210188 [0,1,0,0,0,0|2,0,1]=4 4354 B14R0.344 CCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011216694 [0,1,0,0,0,0|2,0,1]=4 4355 B14R0.344 CCCCCCCCC(C)OCC(=O)N 34a_100000210740_100000187820 [0,1,0,0,0,0|2,0,0]=3 4356 B14R0.344 CCCCCCCCC(C)OCC(=O)N 7a_100000210740_100000187820 [0,1,0,0,0,0|2,0,0]=3 4357 B14R0.344 CCCCCCCCC(C)OCC(=O)[O-] 34a_100000210740_100020667443 [0,1,0,0,0,0|1,0,1]=3 4358 B14R0.344 CCCCCCCCC(C)OCC(C)O 34a_100000210740_100011218427 [0,1,0,0,0,0|2,0,1]=4 4359 B14R0.344 CCCCCCCCC(C)OCC(C)O 7a_100000210740_100011218427 [0,1,0,0,0,0|2,0,1]=4 4360 B14R0.344 CCCCCCCCC(C)OC[C@@H](C)O 34a_100000210740_100009817552 [0,1,0,0,0,0|2,0,1]=4 4361 B14R0.344 CCCCCCCCC(C)OC[C@@H](C)O 7a_100000210740_100009817552 [0,1,0,0,0,0|2,0,1]=4 4362 B14R0.344 CCCCCCCCC(C)OC[N+](=O)[O-] 34a_100000210740_100000761209 [0,1,0,0,0,0|2,0,1]=4 4363 B14R0.344 CCCCCCCCN(C)CCC(=O)C 269982a_100000207567_100000053229 [0,1,0,0,0,0|2,0,0]=3 4364 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000207567_100000744528 [0,1,0,0,0,0|2,0,0]=3 4365 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210759 [0,1,0,0,0,0|2,0,0]=3 4366 B14R0.344 CCCCCCCCN(C)CCC(=O)N 269982a_100000207567_100000744528 [0,1,0,0,0,0|2,0,0]=3 4367 B14R0.344 CCCCCCCCN(C)CCC(C)O 2230a_100000207567_100012276601 [0,1,0,0,0,0|2,0,1]=4 4368 B14R0.344 CCCCCCCCN(C)CCC(C)O 269982a_100000207567_100012276601 [0,1,0,0,0,0|2,0,1]=4 4369 B14R0.344 CCCCCCCCN(C)COC(=O)C 269982a_100000207567_100000076356 [0,1,0,0,0,0|3,0,0]=4 4370 B14R0.344 CCCCCCCNC(=O)CCC(=O)N 240690a_100000229938_100011215257 [0,1,0,0,0,0|2,0,1]=4 4371 B14R0.344 CCCCCCCNC(=O)CCC(=O)N 527a_100000229938_100011215257 [0,1,0,0,0,0|2,0,1]=4 4372 B14R0.344 CCCCCCCNC(C)COC(=O)C 270004a_100000229938_100000000629 [0,1,0,0,0,0|3,0,0]=4 4373 B14R0.344 CCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210757 [0,1,0,0,0,0|2,0,1]=4 4374 B14R0.344 CCCCCCNCC(C)CSC(=O)C 2230a_100000210581_200000116872 [0,1,0,0,0,0|3,0,0]=4 4375 B14R0.344 CCCCCCOCC(C)CSC(=O)C 34a_100000210259_200000116872 [0,1,0,0,0,0|3,0,0]=4 4376 B14R0.344 CCCCCCOCC(C)CSC(=O)C 7a_100000210259_200000116872 [0,1,0,0,0,0|3,0,0]=4 4377 B14R0.344 CCCCCCOCC(O)COC(=O)C 34a_100000210259_200000139349 [0,1,0,0,0,0|3,0,0]=4 4378 B14R0.344 CCCCCCOCC(O)COC(=O)C 7a_100000210259_200000139349 [0,1,0,0,0,0|3,0,0]=4 4379 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_100000210314_200000116872 [0,1,0,0,0,0|3,0,0]=4 4380 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210757 [0,1,0,0,0,0|3,0,0]=4 4381 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_100000210314_200000139349 [0,1,0,0,0,0|3,0,0]=4 4382 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210757 [0,1,0,0,0,0|3,0,0]=4 4383 B14R0.344 CCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210326 [0,1,0,0,0,0|2,0,1]=4 4384 B14R0.344 CN(CCCCCCCO)CCC(=O)N 2230a_100000730477_100000760002 [0,1,0,0,0,0|3,0,0]=4 4385 B14R0.344 COCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011998445 [0,1,0,0,0,0|2,0,1]=4 4386 B14R0.344 COCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011998445 [0,1,0,0,0,0|3,0,0]=4 4387 B14R0.344 NC(=O)CCC(=O)CCCCCCCO 1458a_100011215257_100000760002 [0,1,0,0,0,0|2,0,1]=4 4388 B14R0.391 C#CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100153394163 [0,1,0,0,0,0|1,0,2]=4 4389 B14R0.391 C#CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012094781 [0,1,0,0,0,0|1,0,2]=4 4390 B14R0.391 C=C(C)CC(=O)CCCCCCCCC 1458a_100000210558_100000748629 [0,1,0,0,0,0|2,0,1]=4 4391 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000225649_100011214924 [0,1,0,0,0,0|3,0,0]=4 4392 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000232482_100000748629 [0,1,0,0,0,0|3,0,0]=4 4393 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000225649_100000210670 [0,1,0,0,0,0|3,0,0]=4 4394 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000232482_100000748629 [0,1,0,0,0,0|3,0,0]=4 4395 B14R0.391 C=C(F)CC(=O)CCCCCCCCC 1458a_100000210558_100009893438 [0,1,0,0,0,0|2,0,1]=4 4396 B14R0.391 C=C(F)CN(C)CCCCCCCCC 2230a_100000232482_100009893438 [0,1,0,0,0,0|3,0,0]=4 4397 B14R0.391 C=C(F)CN(C)CCCCCCCCC 269982a_100000232482_100009893438 [0,1,0,0,0,0|3,0,0]=4 4398 B14R0.391 C=CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100012355270 [0,1,0,0,0,0|1,0,2]=4 4399 B14R0.391 C=CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000700193 [0,1,0,0,0,0|1,0,2]=4 4400 B14R0.391 CCCCC#CCCCN(C)CC(=O)O 269956a_100000746989_200000047210 [0,1,0,0,0,0|1,0,2]=4 4401 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [0,1,0,0,0,0|1,0,1]=3 4402 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [0,1,0,0,0,0|1,0,1]=3 4403 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [0,1,0,0,0,0|0,0,2]=3 4404 B14R0.391 CCCCCCCCCC(=O)CC(C)O 1458a_100000210558_100011218427 [0,1,0,0,0,0|1,0,2]=4 4405 B14R0.391 CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210670 [0,1,0,0,0,0|1,0,2]=4 4406 B14R0.391 CCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210558_100000761209 [0,1,0,0,0,0|1,0,2]=4 4407 B14R0.391 CCCCCCCCCC(C)CN(C)C 270004a_100102631434_200011218516 [0,1,0,0,0,0|3,0,0]=4 4408 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000232482_100000747473 [0,1,0,0,0,0|2,0,0]=3 4409 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011214924 [0,1,0,0,0,0|2,0,0]=3 4410 B14R0.391 CCCCCCCCCN(C)CC(=O)N 269982a_100000232482_100000187820 [0,1,0,0,0,0|2,0,0]=3 4411 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [0,1,0,0,0,0|1,0,0]=2 4412 B14R0.391 CCCCCCCCCN(C)CC(=O)[O-] 269982a_100000232482_100020667443 [0,1,0,0,0,0|1,0,1]=3 4413 B14R0.391 CCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011214924 [0,1,0,0,0,0|2,0,1]=4 4414 B14R0.391 CCCCCCCCCN(C)CC(C)O 2230a_100000232482_100011218427 [0,1,0,0,0,0|2,0,1]=4 4415 B14R0.391 CCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210670 [0,1,0,0,0,0|2,0,1]=4 4416 B14R0.391 CCCCCCCCCN(C)CC(C)O 269982a_100000232482_100011218427 [0,1,0,0,0,0|2,0,1]=4 4417 B14R0.391 CCCCCCCCCN(C)C[C@@H](C)O 2230a_100000232482_100009817552 [0,1,0,0,0,0|2,0,1]=4 4418 B14R0.391 CCCCCCCCCN(C)C[C@@H](C)O 269982a_100000232482_100009817552 [0,1,0,0,0,0|2,0,1]=4 4419 B14R0.391 CCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000232482_100000761209 [0,1,0,0,0,0|2,0,1]=4 4420 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 240690a_100000229939_100134613110 [0,1,0,0,0,0|2,0,1]=4 4421 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 527a_100000229939_100134613110 [0,1,0,0,0,0|2,0,1]=4 4422 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100000210759_100009818208 [0,1,0,0,0,0|3,0,0]=4 4423 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210317 [0,1,0,0,0,0|3,0,0]=4 4424 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [0,1,0,0,0,0|1,0,0]=2 4425 B14R0.391 CCCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000743108 [0,1,0,0,0,0|2,0,0]=3 4426 B14R0.391 CN(CCCCCCCCO)CC(=O)N 2230a_100000739694_100000033203 [0,1,0,0,0,0|3,0,0]=4 4427 B14R0.391 CN(CCCCCCCCO)CC(=O)O 269956a_100000746989_100000033203 [0,1,0,0,0,0|2,0,0]=3 4428 B14R0.391 COCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000695917 [0,1,0,0,0,0|3,0,0]=4 4429 B14R0.391 N#CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009813376 [0,1,0,0,0,0|2,0,1]=4 4430 B14R0.391 NC(=O)CC(=O)CCCCCCCCO 1458a_100134613110_100000033203 [0,1,0,0,0,0|2,0,1]=4 4431 B14R0.391 O=C(O)CC(O)CNCCCCCCF 269956a_100011218706_100015922095 [0,1,0,0,0,0|2,0,0]=3 4432 B14R0.391 O=C(O)CC(O)CNCCCCCCO 269956a_100011218706_100000766143 [0,1,0,0,0,0|2,0,0]=3 4433 B14R0.391 O=CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139337 [0,1,0,0,0,0|2,0,1]=4 4434 B14R0.394 C#CCCCCCCCCOCC(=O)N 34a_100000065265_100000187820 [0,1,0,0,0,0|1,0,2]=4 4435 B14R0.394 C#CCCCCCCCCOCC(=O)N 7a_100000065265_100000187820 [0,1,0,0,0,0|1,0,2]=4 4436 B14R0.394 C#CCCCCCCCCOCC(=O)[O-] 34a_100000065265_100020667443 [0,1,0,0,0,0|0,0,3]=4 4437 B14R0.394 C#CCCCCCCCNOCC(=O)O 269956a_100000106656_100153394163 [0,1,0,0,0,0|1,0,2]=4 4438 B14R0.394 C#CCCCCCCCOCCC(=O)C 34a_100000759926_100153394163 [0,1,0,0,0,0|1,0,2]=4 4439 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000054614_100000053229 [0,1,0,0,0,0|1,0,2]=4 4440 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000759926_100153394163 [0,1,0,0,0,0|1,0,2]=4 4441 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000054614_100000731001 [0,1,0,0,0,0|1,0,2]=4 4442 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000757172_100153394163 [0,1,0,0,0,0|1,0,2]=4 4443 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000054614_100000744528 [0,1,0,0,0,0|1,0,2]=4 4444 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000757172_100153394163 [0,1,0,0,0,0|1,0,2]=4 4445 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100000053229_100153394163 [0,1,0,0,0,0|1,0,2]=4 4446 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100153394163_100000053229 [0,1,0,0,0,0|1,0,2]=4 4447 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100000744528_100153394163 [0,1,0,0,0,0|1,0,2]=4 4448 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100153394163_100000744528 [0,1,0,0,0,0|1,0,2]=4 4449 B14R0.394 C#CCCCCCCNCCCC(=O)N 34a_100000739312_100012276617 [0,1,0,0,0,0|1,0,2]=4 4450 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100000759063_100012276617 [0,1,0,0,0,0|1,0,2]=4 4451 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100011217361_100000685027 [0,1,0,0,0,0|1,0,2]=4 4452 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100000759063_100012276617 [0,1,0,0,0,0|1,0,2]=4 4453 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100011217361_100011215641 [0,1,0,0,0,0|1,0,2]=4 4454 B14R0.394 C#CCCCCCCOCCCC(=O)N 34a_100011217361_100102525003 [0,1,0,0,0,0|1,0,2]=4 4455 B14R0.394 C#CCCCCCCOCCCC(=O)N 7a_100011217361_100102525003 [0,1,0,0,0,0|1,0,2]=4 4456 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100011215641_100012276617 [0,1,0,0,0,0|1,0,2]=4 4457 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100012276617_100011215641 [0,1,0,0,0,0|1,0,2]=4 4458 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100012276617_100102525003 [0,1,0,0,0,0|1,0,2]=4 4459 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100102525003_100012276617 [0,1,0,0,0,0|1,0,2]=4 4460 B14R0.394 C#CCCCCCNCCCCC(=O)N 34a_100000696515_100012094781 [0,1,0,0,0,0|1,0,2]=4 4461 B14R0.394 C#CCCCCCNCCOCC(=O)O 269956a_100000700818_100012094781 [0,1,0,0,0,0|1,0,2]=4 4462 B14R0.394 C#CCCCCCOCCCCC(=O)C 34a_100000766912_100009817362 [0,1,0,0,0,0|1,0,2]=4 4463 B14R0.394 C#CCCCCCOCCCCC(=O)C 7a_100000766912_100000735457 [0,1,0,0,0,0|1,0,2]=4 4464 B14R0.394 C#CCCCCCOCCCCC(=O)N 34a_100012022536_100012094781 [0,1,0,0,0,0|1,0,2]=4 4465 B14R0.394 C#CCCCCCOCCCCC(=O)N 7a_100012022536_100012094781 [0,1,0,0,0,0|1,0,2]=4 4466 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100000735457_100012094781 [0,1,0,0,0,0|1,0,2]=4 4467 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100012094781_100000735457 [0,1,0,0,0,0|1,0,2]=4 4468 B14R0.394 C#CCCCCNCCCCCC(=O)N 2230a_100000706060_100009817443 [0,1,0,0,0,0|1,0,2]=4 4469 B14R0.394 C#CCCCCNCCCCCC(=O)N 34a_100000706060_100009817443 [0,1,0,0,0,0|1,0,2]=4 4470 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000123541_100010269958 [0,1,0,0,0,0|1,0,2]=4 4471 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000766709_100009817443 [0,1,0,0,0,0|1,0,2]=4 4472 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000123541_100010269958 [0,1,0,0,0,0|1,0,2]=4 4473 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000766709_100009817443 [0,1,0,0,0,0|1,0,2]=4 4474 B14R0.394 C#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100010269958 [0,1,0,0,0,0|0,0,3]=4 4475 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100009817443_100010269958 [0,1,0,0,0,0|1,0,2]=4 4476 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100010269958_100009817443 [0,1,0,0,0,0|1,0,2]=4 4477 B14R0.394 C=C(Br)CCOCCCCCCCCO 34a_100009813270_100000033203 [0,1,0,0,0,0|3,0,0]=4 4478 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [0,1,0,0,0,0|2,0,0]=3 4479 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [0,1,0,0,0,0|2,0,0]=3 4480 B14R0.394 C=C(C)CCNCCCCCCCCO 2230a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 4481 B14R0.394 C=C(C)CCNCCCCCCCCO 34a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 4482 B14R0.394 C=C(C)CCOCCCCCCCCBr 34a_100009813846_100000730704 [0,1,0,0,0,0|3,0,0]=4 4483 B14R0.394 C=C(C)CCOCCCCCCCCBr 7a_100009813846_100000730704 [0,1,0,0,0,0|3,0,0]=4 4484 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [0,1,0,0,0,0|2,0,0]=3 4485 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [0,1,0,0,0,0|2,0,0]=3 4486 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [0,1,0,0,0,0|2,0,0]=3 4487 B14R0.394 C=C(C)CCOCCCCCCCCCl 34a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 4488 B14R0.394 C=C(C)CCOCCCCCCCCCl 7a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 4489 B14R0.394 C=C(C)CCOCCCCCCCCN 34a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 4490 B14R0.394 C=C(C)CCOCCCCCCCCO 34a_100000764851_100000033203 [0,1,0,0,0,0|3,0,0]=4 4491 B14R0.394 C=C(C)CCOCCCCNCCCC 34a_200011216965_100000730704 [0,1,0,0,0,0|3,0,0]=4 4492 B14R0.394 C=C(C)CCOCCCCOCCCC 34a_200000760531_100000730704 [0,1,0,0,0,0|3,0,0]=4 4493 B14R0.394 C=C(C)CCOCCCCOCCCC 7a_200000760531_100000730704 [0,1,0,0,0,0|3,0,0]=4 4494 B14R0.394 C=C(C)CCOCCOCCCCCC 34a_100000691444_100000730704 [0,1,0,0,0,0|3,0,0]=4 4495 B14R0.394 C=C(C)CCOCCOCCCCCC 7a_100000691444_100000730704 [0,1,0,0,0,0|3,0,0]=4 4496 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 4497 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000730704_100000033203 [0,1,0,0,0,0|3,0,0]=4 4498 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [0,1,0,0,0,0|2,0,0]=3 4499 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [0,1,0,0,0,0|2,0,0]=3 4500 B14R0.394 C=C(C)CNCCCCCCCCCO 2230a_100000078944_100000748629 [0,1,0,0,0,0|3,0,0]=4 4501 B14R0.394 C=C(C)CNCCCCCCCCCO 34a_100000078944_100000748629 [0,1,0,0,0,0|3,0,0]=4 4502 B14R0.394 C=C(C)COCCCCCCCCCBr 34a_100009813782_100000748629 [0,1,0,0,0,0|3,0,0]=4 4503 B14R0.394 C=C(C)COCCCCCCCCCBr 7a_100009813782_100000748629 [0,1,0,0,0,0|3,0,0]=4 4504 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [0,1,0,0,0,0|2,0,0]=3 4505 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [0,1,0,0,0,0|2,0,0]=3 4506 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [0,1,0,0,0,0|2,0,0]=3 4507 B14R0.394 C=C(C)COCCCCCCCCCCl 34a_100009868337_100000748629 [0,1,0,0,0,0|3,0,0]=4 4508 B14R0.394 C=C(C)COCCCCCCCCCCl 7a_100009868337_100000748629 [0,1,0,0,0,0|3,0,0]=4 4509 B14R0.394 C=C(C)COCCCCCCCCCN 34a_100000078944_100000748629 [0,1,0,0,0,0|3,0,0]=4 4510 B14R0.394 C=C(C)COCCCCCCCCCO 34a_100000210245_100009813782 [0,1,0,0,0,0|3,0,0]=4 4511 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100000748629_100009813782 [0,1,0,0,0,0|3,0,0]=4 4512 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100009813782_100000211660 [0,1,0,0,0,0|3,0,0]=4 4513 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [0,1,0,0,0,0|2,0,0]=3 4514 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [0,1,0,0,0,0|2,0,0]=3 4515 B14R0.394 C=C(F)CNCCCCCCCCCO 2230a_100000078944_100009893438 [0,1,0,0,0,0|3,0,0]=4 4516 B14R0.394 C=C(F)CNCCCCCCCCCO 34a_100000078944_100009893438 [0,1,0,0,0,0|3,0,0]=4 4517 B14R0.394 C=C(F)COCCCCCCCCCBr 34a_100009813782_100009893438 [0,1,0,0,0,0|3,0,0]=4 4518 B14R0.394 C=C(F)COCCCCCCCCCBr 7a_100009813782_100000042424 [0,1,0,0,0,0|3,0,0]=4 4519 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [0,1,0,0,0,0|2,0,0]=3 4520 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [0,1,0,0,0,0|2,0,0]=3 4521 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [0,1,0,0,0,0|2,0,0]=3 4522 B14R0.394 C=C(F)COCCCCCCCCCCl 34a_100009868337_100009893438 [0,1,0,0,0,0|3,0,0]=4 4523 B14R0.394 C=C(F)COCCCCCCCCCCl 7a_100009868337_100000042424 [0,1,0,0,0,0|3,0,0]=4 4524 B14R0.394 C=C(F)COCCCCCCCCCN 34a_100000078944_100009893438 [0,1,0,0,0,0|3,0,0]=4 4525 B14R0.394 C=C(F)COCCCCCCCCCO 34a_200010262243_100009813782 [0,1,0,0,0,0|3,0,0]=4 4526 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100000042424_100009813782 [0,1,0,0,0,0|3,0,0]=4 4527 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100009813782_100000042424 [0,1,0,0,0,0|3,0,0]=4 4528 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [0,1,0,0,0,0|1,0,1]=3 4529 B14R0.394 C=CCCCCCCCCCNC(=O)C 11a_100000081888_100015343762 [0,1,0,0,0,0|1,0,2]=4 4530 B14R0.394 C=CCCCCCCCCCNC(=O)C 1626a_100000081888_100015343762 [0,1,0,0,0,0|1,0,2]=4 4531 B14R0.394 C=CCCCCCCCCCNC(=O)C 240690a_100000081888_100015343762 [0,1,0,0,0,0|1,0,2]=4 4532 B14R0.394 C=CCCCCCCCCCNC(=O)C 527a_100000081888_100103153847 [0,1,0,0,0,0|1,0,2]=4 4533 B14R0.394 C=CCCCCCCCCNCC(=O)N 2230a_100000711301_100011933949 [0,1,0,0,0,0|1,0,2]=4 4534 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [0,1,0,0,0,0|0,0,2]=3 4535 B14R0.394 C=CCCCCCCCCOCC(=O)C 34a_100000211253_100011933949 [0,1,0,0,0,0|1,0,2]=4 4536 B14R0.394 C=CCCCCCCCCOCC(=O)N 34a_100011215194_100000187820 [0,1,0,0,0,0|1,0,2]=4 4537 B14R0.394 C=CCCCCCCCCOCC(=O)N 7a_100011215194_100000187820 [0,1,0,0,0,0|1,0,2]=4 4538 B14R0.394 C=CCCCCCCCCOCC(=O)[O-] 34a_100011215194_100020667443 [0,1,0,0,0,0|0,0,3]=4 4539 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100000747473_100011933949 [0,1,0,0,0,0|1,0,2]=4 4540 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100011933949_100000747473 [0,1,0,0,0,0|1,0,2]=4 4541 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100011933949_100020667443 [0,1,0,0,0,0|0,0,3]=4 4542 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011933949 [0,1,0,0,0,0|0,0,3]=4 4543 B14R0.394 C=CCCCCCCCNOCC(=O)O 269956a_100000106656_100012355270 [0,1,0,0,0,0|1,0,2]=4 4544 B14R0.394 C=CCCCCCCCOCCC(=O)C 34a_100000759926_100012355270 [0,1,0,0,0,0|1,0,2]=4 4545 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000730831_100000053229 [0,1,0,0,0,0|1,0,2]=4 4546 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000759926_100012355270 [0,1,0,0,0,0|1,0,2]=4 4547 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000730831_100000731001 [0,1,0,0,0,0|1,0,2]=4 4548 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000757172_100012355270 [0,1,0,0,0,0|1,0,2]=4 4549 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000730831_100000744528 [0,1,0,0,0,0|1,0,2]=4 4550 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000757172_100012355270 [0,1,0,0,0,0|1,0,2]=4 4551 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100000053229_100012355270 [0,1,0,0,0,0|1,0,2]=4 4552 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100012355270_100000053229 [0,1,0,0,0,0|1,0,2]=4 4553 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100000744528_100012355270 [0,1,0,0,0,0|1,0,2]=4 4554 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100012355270_100000744528 [0,1,0,0,0,0|1,0,2]=4 4555 B14R0.394 C=CCCCCCCNCCCC(=O)N 34a_100000739312_100011215473 [0,1,0,0,0,0|1,0,2]=4 4556 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_100000759063_100011215473 [0,1,0,0,0,0|1,0,2]=4 4557 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_200011216477_100000685027 [0,1,0,0,0,0|1,0,2]=4 4558 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_100000759063_100011215473 [0,1,0,0,0,0|1,0,2]=4 4559 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_200011216477_100011215641 [0,1,0,0,0,0|1,0,2]=4 4560 B14R0.394 C=CCCCCCCOCCCC(=O)N 34a_200011216477_100102525003 [0,1,0,0,0,0|1,0,2]=4 4561 B14R0.394 C=CCCCCCCOCCCC(=O)N 7a_200011216477_100102525003 [0,1,0,0,0,0|1,0,2]=4 4562 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215473_100011215641 [0,1,0,0,0,0|1,0,2]=4 4563 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215641_100011215473 [0,1,0,0,0,0|1,0,2]=4 4564 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100011215473_100102525003 [0,1,0,0,0,0|1,0,2]=4 4565 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100102525003_100011215473 [0,1,0,0,0,0|1,0,2]=4 4566 B14R0.394 C=CCCCCCNCCCCC(=O)N 34a_100000696515_100000700193 [0,1,0,0,0,0|1,0,2]=4 4567 B14R0.394 C=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000700193 [0,1,0,0,0,0|1,0,2]=4 4568 B14R0.394 C=CCCCCCOCCCCC(=O)C 34a_100011216702_100009817362 [0,1,0,0,0,0|1,0,2]=4 4569 B14R0.394 C=CCCCCCOCCCCC(=O)C 7a_100011216702_100000735457 [0,1,0,0,0,0|1,0,2]=4 4570 B14R0.394 C=CCCCCCOCCCCC(=O)N 34a_100012022536_100000700193 [0,1,0,0,0,0|1,0,2]=4 4571 B14R0.394 C=CCCCCCOCCCCC(=O)N 7a_100012022536_100000700193 [0,1,0,0,0,0|1,0,2]=4 4572 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000700193_100000735457 [0,1,0,0,0,0|1,0,2]=4 4573 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000735457_100000700193 [0,1,0,0,0,0|1,0,2]=4 4574 B14R0.394 C=CCCCCNCCCCCC(=O)N 2230a_100000703577_100009817443 [0,1,0,0,0,0|1,0,2]=4 4575 B14R0.394 C=CCCCCNCCCCCC(=O)N 34a_100000703577_100009817443 [0,1,0,0,0,0|1,0,2]=4 4576 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000123541_100011215482 [0,1,0,0,0,0|1,0,2]=4 4577 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000766645_100009817443 [0,1,0,0,0,0|1,0,2]=4 4578 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000123541_100011215482 [0,1,0,0,0,0|1,0,2]=4 4579 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000766645_100009817443 [0,1,0,0,0,0|1,0,2]=4 4580 B14R0.394 C=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215482 [0,1,0,0,0,0|0,0,3]=4 4581 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100009817443_100011215482 [0,1,0,0,0,0|1,0,2]=4 4582 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100011215482_100009817443 [0,1,0,0,0,0|1,0,2]=4 4583 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [0,1,0,0,0,0|1,0,0]=2 4584 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [0,1,0,0,0,0|2,0,0]=3 4585 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [0,1,0,0,0,0|2,0,0]=3 4586 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [0,1,0,0,0,0|2,0,0]=3 4587 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [0,1,0,0,0,0|2,0,0]=3 4588 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [0,1,0,0,0,0|2,0,0]=3 4589 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [0,1,0,0,0,0|2,0,0]=3 4590 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [0,1,0,0,0,0|2,0,0]=3 4591 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [0,1,0,0,0,0|2,0,0]=3 4592 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100000735457_100009813376 [0,1,0,0,0,0|2,0,1]=4 4593 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100009813376_100000735457 [0,1,0,0,0,0|2,0,1]=4 4594 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000139337_100000735457 [0,1,0,0,0,0|2,0,1]=4 4595 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000735457_100000139337 [0,1,0,0,0,0|2,0,1]=4 4596 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [0,1,0,0,0,0|2,0,0]=3 4597 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [0,1,0,0,0,0|2,0,0]=3 4598 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [0,1,0,0,0,0|2,0,0]=3 4599 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [0,1,0,0,0,0|2,0,0]=3 4600 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [0,1,0,0,0,0|2,0,0]=3 4601 B14R0.394 CC(=O)CCCNCCCOCCCO 34a_100011310245_100000685027 [0,1,0,0,0,0|3,0,0]=4 4602 B14R0.394 CC(=O)CCCOCCCCCCC#N 7a_100000759063_100009813337 [0,1,0,0,0,0|2,0,1]=4 4603 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [0,1,0,0,0,0|2,0,0]=3 4604 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [0,1,0,0,0,0|2,0,0]=3 4605 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [0,1,0,0,0,0|2,0,0]=3 4606 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [0,1,0,0,0,0|2,0,0]=3 4607 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [0,1,0,0,0,0|2,0,0]=3 4608 B14R0.394 CC(=O)CCCOCCCOCCCN 34a_100011310245_100000685027 [0,1,0,0,0,0|3,0,0]=4 4609 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100009813337_100011215641 [0,1,0,0,0,0|2,0,1]=4 4610 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100011215641_100009813337 [0,1,0,0,0,0|2,0,1]=4 4611 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [0,1,0,0,0,0|2,0,0]=3 4612 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [0,1,0,0,0,0|2,0,0]=3 4613 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [0,1,0,0,0,0|2,0,0]=3 4614 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [0,1,0,0,0,0|2,0,0]=3 4615 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [0,1,0,0,0,0|2,0,0]=3 4616 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [0,1,0,0,0,0|2,0,0]=3 4617 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [0,1,0,0,0,0|2,0,0]=3 4618 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [0,1,0,0,0,0|2,0,0]=3 4619 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [0,1,0,0,0,0|2,0,0]=3 4620 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [0,1,0,0,0,0|2,0,0]=3 4621 B14R0.394 CC(=O)NCCCCCCNCCCF 2230a_200011996284_100011934791 [0,1,0,0,0,0|3,0,0]=4 4622 B14R0.394 CC(=O)NCCCCCCNCCCF 34a_200011996284_100011934791 [0,1,0,0,0,0|3,0,0]=4 4623 B14R0.394 CC(=O)NCCCCCCNCCCO 2230a_200011996284_100000230001 [0,1,0,0,0,0|3,0,0]=4 4624 B14R0.394 CC(=O)NCCCCCCNCCCO 34a_200011996284_100000230001 [0,1,0,0,0,0|3,0,0]=4 4625 B14R0.394 CC(=O)NCCCCCNCCCCF 2230a_200012022750_100000729493 [0,1,0,0,0,0|3,0,0]=4 4626 B14R0.394 CC(=O)NCCCCCNCCCCF 34a_200012022750_100000729493 [0,1,0,0,0,0|3,0,0]=4 4627 B14R0.394 CC(=O)NCCCCCNCCCCO 2230a_200012022750_100000210776 [0,1,0,0,0,0|3,0,0]=4 4628 B14R0.394 CC(=O)NCCCCCNCCCCO 34a_200012022750_100011216708 [0,1,0,0,0,0|3,0,0]=4 4629 B14R0.394 CC(=O)NCCCCNCCCCCF 2230a_200011368371_100000729378 [0,1,0,0,0,0|3,0,0]=4 4630 B14R0.394 CC(=O)NCCCCNCCCCCF 34a_200011368371_100000729378 [0,1,0,0,0,0|3,0,0]=4 4631 B14R0.394 CC(=O)NCCCCNCCCCCO 2230a_200011368371_100000746330 [0,1,0,0,0,0|3,0,0]=4 4632 B14R0.394 CC(=O)NCCCCNCCCCCO 34a_200011368371_100000746330 [0,1,0,0,0,0|3,0,0]=4 4633 B14R0.394 CC(=O)NCCCNCCCCCCF 34a_100000736810_100015922095 [0,1,0,0,0,0|3,0,0]=4 4634 B14R0.394 CC(=O)NCCCNCCCCCCO 34a_100000736810_100000766143 [0,1,0,0,0,0|3,0,0]=4 4635 B14R0.394 CC(=O)NCCCOCCCCCCF 34a_100000752032_100015922095 [0,1,0,0,0,0|3,0,0]=4 4636 B14R0.394 CC(=O)NCCCOCCCCCCO 34a_100000752032_100000766143 [0,1,0,0,0,0|3,0,0]=4 4637 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100000209853_100000760002 [0,1,0,0,0,0|3,0,0]=4 4638 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100011996573_100000189650 [0,1,0,0,0,0|3,0,0]=4 4639 B14R0.394 CC(=O)NCCOCCCCCCCBr 7a_100000760002_100000189650 [0,1,0,0,0,0|3,0,0]=4 4640 B14R0.394 CC(=O)NCCOCCCCCCCO 34a_100000158858_100000760002 [0,1,0,0,0,0|3,0,0]=4 4641 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000189650_100000760002 [0,1,0,0,0,0|3,0,0]=4 4642 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000760002_100000189650 [0,1,0,0,0,0|3,0,0]=4 4643 B14R0.394 CC(=O)OCCCCCNCCCCO 2230a_100000750430_100009813381 [0,1,0,0,0,0|3,0,0]=4 4644 B14R0.394 CC(=O)OCCCCCNCCCCO 34a_100000750430_100000033007 [0,1,0,0,0,0|3,0,0]=4 4645 B14R0.394 CC(=O)OCCCCCOCCCCBr 34a_100011216708_100000033007 [0,1,0,0,0,0|3,0,0]=4 4646 B14R0.394 CC(=O)OCCCCCOCCCCCl 34a_100000210776_100000033007 [0,1,0,0,0,0|3,0,0]=4 4647 B14R0.394 CC(=O)OCCCCCOCCCCCl 7a_100000210776_100000033007 [0,1,0,0,0,0|3,0,0]=4 4648 B14R0.394 CC(=O)OCCCCCOCCCCF 34a_100011995726_100000033007 [0,1,0,0,0,0|3,0,0]=4 4649 B14R0.394 CC(=O)OCCCCCOCCCCF 7a_100011995726_100000033007 [0,1,0,0,0,0|3,0,0]=4 4650 B14R0.394 CC(=O)OCCCCCOCCCCI 34a_200012148704_100000033007 [0,1,0,0,0,0|3,0,0]=4 4651 B14R0.394 CC(=O)OCCCCCOCCCCN 34a_100000750430_100000033007 [0,1,0,0,0,0|3,0,0]=4 4652 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000033007_100000729493 [0,1,0,0,0,0|3,0,0]=4 4653 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000729493_100000033007 [0,1,0,0,0,0|3,0,0]=4 4654 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000033007_100000210776 [0,1,0,0,0,0|3,0,0]=4 4655 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000210776_100000033007 [0,1,0,0,0,0|3,0,0]=4 4656 B14R0.394 CC(=O)OCCCCNCCCCCO 34a_100000762737_100000033659 [0,1,0,0,0,0|3,0,0]=4 4657 B14R0.394 CC(=O)OCCCCOCCCCCBr 34a_100000746331_100000033659 [0,1,0,0,0,0|3,0,0]=4 4658 B14R0.394 CC(=O)OCCCCOCCCCCBr 7a_100000746331_100000033659 [0,1,0,0,0,0|3,0,0]=4 4659 B14R0.394 CC(=O)OCCCCOCCCCCCl 34a_100000746330_100000033659 [0,1,0,0,0,0|3,0,0]=4 4660 B14R0.394 CC(=O)OCCCCOCCCCCCl 7a_100000746330_100000033659 [0,1,0,0,0,0|3,0,0]=4 4661 B14R0.394 CC(=O)OCCCCOCCCCCF 34a_100000073216_100000729378 [0,1,0,0,0,0|3,0,0]=4 4662 B14R0.394 CC(=O)OCCCCOCCCCCF 7a_100000073216_100000729378 [0,1,0,0,0,0|3,0,0]=4 4663 B14R0.394 CC(=O)OCCCCOCCCCCI 34a_200012148887_100000033659 [0,1,0,0,0,0|3,0,0]=4 4664 B14R0.394 CC(=O)OCCCCOCCCCCI 7a_200012148887_100000033659 [0,1,0,0,0,0|3,0,0]=4 4665 B14R0.394 CC(=O)OCCCCOCCCCCN 34a_100000762737_100000033659 [0,1,0,0,0,0|3,0,0]=4 4666 B14R0.394 CC(=O)OCCCCOCCCCCO 34a_100000073216_100000746330 [0,1,0,0,0,0|3,0,0]=4 4667 B14R0.394 CC(=O)OCCCCOCCCCCO 7a_100000073216_100000746330 [0,1,0,0,0,0|3,0,0]=4 4668 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000033659_100000729378 [0,1,0,0,0,0|3,0,0]=4 4669 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000729378_100000033659 [0,1,0,0,0,0|3,0,0]=4 4670 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000033659_100000746330 [0,1,0,0,0,0|3,0,0]=4 4671 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000746330_100000033659 [0,1,0,0,0,0|3,0,0]=4 4672 B14R0.394 CC(=O)OCCCNCCCCCCO 34a_100000686447_100000042594 [0,1,0,0,0,0|3,0,0]=4 4673 B14R0.394 CC(=O)OCCCOCCCCCCBr 34a_100011215345_100000042594 [0,1,0,0,0,0|3,0,0]=4 4674 B14R0.394 CC(=O)OCCCOCCCCCCBr 7a_100011215345_100000042594 [0,1,0,0,0,0|3,0,0]=4 4675 B14R0.394 CC(=O)OCCCOCCCCCCCl 34a_100000766143_100000042594 [0,1,0,0,0,0|3,0,0]=4 4676 B14R0.394 CC(=O)OCCCOCCCCCCCl 7a_100000766143_100000042594 [0,1,0,0,0,0|3,0,0]=4 4677 B14R0.394 CC(=O)OCCCOCCCCCCF 34a_100000732779_100000042594 [0,1,0,0,0,0|3,0,0]=4 4678 B14R0.394 CC(=O)OCCCOCCCCCCF 7a_100000732779_100000042594 [0,1,0,0,0,0|3,0,0]=4 4679 B14R0.394 CC(=O)OCCCOCCCCCCN 34a_100000686447_100000042594 [0,1,0,0,0,0|3,0,0]=4 4680 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100000042594_100015922095 [0,1,0,0,0,0|3,0,0]=4 4681 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100015922095_100000042594 [0,1,0,0,0,0|3,0,0]=4 4682 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000042594_100000766143 [0,1,0,0,0,0|3,0,0]=4 4683 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000766143_100000042594 [0,1,0,0,0,0|3,0,0]=4 4684 B14R0.394 CC(=O)OCCNCCCCCCCO 34a_100011996573_100009814007 [0,1,0,0,0,0|3,0,0]=4 4685 B14R0.394 CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009814007 [0,1,0,0,0,0|3,0,0]=4 4686 B14R0.394 CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009814007 [0,1,0,0,0,0|3,0,0]=4 4687 B14R0.394 CC(=O)OCCOCCCCCCCN 34a_100011996573_100009814007 [0,1,0,0,0,0|3,0,0]=4 4688 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100000760002_100009814007 [0,1,0,0,0,0|3,0,0]=4 4689 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100009814007_100000760002 [0,1,0,0,0,0|3,0,0]=4 4690 B14R0.394 CC(=O)OCNCCCCCCCCO 34a_102515433106_100009813279 [0,1,0,0,0,0|3,0,0]=4 4691 B14R0.394 CC(=O)OCOCCCCCCCCBr 34a_100009813846_100009813279 [0,1,0,0,0,0|3,0,0]=4 4692 B14R0.394 CC(=O)OCOCCCCCCCCCl 34a_100000033203_100009813279 [0,1,0,0,0,0|3,0,0]=4 4693 B14R0.394 CC(=O)OCOCCCCCCCCN 34a_102515433106_100009813279 [0,1,0,0,0,0|3,0,0]=4 4694 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000033203_100000076356 [0,1,0,0,0,0|3,0,0]=4 4695 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000076356_100000033203 [0,1,0,0,0,0|3,0,0]=4 4696 B14R0.394 CC(=O)SCCCCNCCCCCO 2230a_100000762737_200010402107 [0,1,0,0,0,0|3,0,0]=4 4697 B14R0.394 CC(=O)SCCCCNCCCCCO 34a_100000762737_200010402107 [0,1,0,0,0,0|3,0,0]=4 4698 B14R0.394 CC(=O)SCCCCOCCCCCBr 34a_100000746331_200010402107 [0,1,0,0,0,0|3,0,0]=4 4699 B14R0.394 CC(=O)SCCCCOCCCCCBr 7a_100000746331_200010402107 [0,1,0,0,0,0|3,0,0]=4 4700 B14R0.394 CC(=O)SCCCCOCCCCCCl 34a_100000746330_200010402107 [0,1,0,0,0,0|3,0,0]=4 4701 B14R0.394 CC(=O)SCCCCOCCCCCCl 7a_100000746330_200010402107 [0,1,0,0,0,0|3,0,0]=4 4702 B14R0.394 CC(=O)SCCCCOCCCCCI 34a_200012148887_200010402107 [0,1,0,0,0,0|3,0,0]=4 4703 B14R0.394 CC(=O)SCCCCOCCCCCI 7a_200012148887_200010402107 [0,1,0,0,0,0|3,0,0]=4 4704 B14R0.394 CC(=O)SCCCCOCCCCCN 34a_100000762737_200010402107 [0,1,0,0,0,0|3,0,0]=4 4705 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_100000729378_200010402107 [0,1,0,0,0,0|3,0,0]=4 4706 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_200010402107_100000729378 [0,1,0,0,0,0|3,0,0]=4 4707 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_100000746330_200010402107 [0,1,0,0,0,0|3,0,0]=4 4708 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_200010402107_100000746330 [0,1,0,0,0,0|3,0,0]=4 4709 B14R0.394 CC(=O)SCCCNCCCCCCO 2230a_100000686447_100000038929 [0,1,0,0,0,0|3,0,0]=4 4710 B14R0.394 CC(=O)SCCCNCCCCCCO 34a_100000686447_100000038929 [0,1,0,0,0,0|3,0,0]=4 4711 B14R0.394 CC(=O)SCCCOCCCCCCBr 34a_100011215345_100000038929 [0,1,0,0,0,0|3,0,0]=4 4712 B14R0.394 CC(=O)SCCCOCCCCCCBr 7a_100011215345_100000038929 [0,1,0,0,0,0|3,0,0]=4 4713 B14R0.394 CC(=O)SCCCOCCCCCCCl 34a_100000766143_100000038929 [0,1,0,0,0,0|3,0,0]=4 4714 B14R0.394 CC(=O)SCCCOCCCCCCCl 7a_100000766143_100000038929 [0,1,0,0,0,0|3,0,0]=4 4715 B14R0.394 CC(=O)SCCCOCCCCCCF 34a_100000732779_100000038929 [0,1,0,0,0,0|3,0,0]=4 4716 B14R0.394 CC(=O)SCCCOCCCCCCF 7a_100000732779_100000038929 [0,1,0,0,0,0|3,0,0]=4 4717 B14R0.394 CC(=O)SCCCOCCCCCCN 34a_100000686447_100000038929 [0,1,0,0,0,0|3,0,0]=4 4718 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100000038929_100015922095 [0,1,0,0,0,0|3,0,0]=4 4719 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100015922095_100000038929 [0,1,0,0,0,0|3,0,0]=4 4720 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000038929_100000766143 [0,1,0,0,0,0|3,0,0]=4 4721 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000766143_100000038929 [0,1,0,0,0,0|3,0,0]=4 4722 B14R0.394 CC(O)CCCNCCCCCCCO 2230a_100011996573_200000718107 [0,1,0,0,0,0|2,0,1]=4 4723 B14R0.394 CC(O)CCCNCCCCCCCO 34a_100011996573_200000718107 [0,1,0,0,0,0|2,0,1]=4 4724 B14R0.394 CC(O)CCCOCCCCCCCBr 34a_100000760002_200000718107 [0,1,0,0,0,0|2,0,1]=4 4725 B14R0.394 CC(O)CCCOCCCCCCCBr 7a_100000760002_200000718107 [0,1,0,0,0,0|2,0,1]=4 4726 B14R0.394 CC(O)CCCOCCCCCCCN 34a_100011996573_200000718107 [0,1,0,0,0,0|2,0,1]=4 4727 B14R0.394 CC(O)CCCSCCCCCCCO 62a_100000760002_200000718107 [0,1,0,0,0,0|2,0,1]=4 4728 B14R0.394 CC(O)CCCSCCCCCCCO 62a_200000718107_100000760002 [0,1,0,0,0,0|2,0,1]=4 4729 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_102515433106_100012276601 [0,1,0,0,0,0|2,0,1]=4 4730 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_200000755665_100000033203 [0,1,0,0,0,0|2,0,1]=4 4731 B14R0.394 CC(O)CCNCCCCCCCCO 34a_102515433106_100012276601 [0,1,0,0,0,0|2,0,1]=4 4732 B14R0.394 CC(O)CCOCCCCCCCCBr 34a_100009813846_100012276601 [0,1,0,0,0,0|2,0,1]=4 4733 B14R0.394 CC(O)CCOCCCCCCCCBr 7a_100009813846_100012276601 [0,1,0,0,0,0|2,0,1]=4 4734 B14R0.394 CC(O)CCOCCCCCCCCCl 34a_100000033203_100012276601 [0,1,0,0,0,0|2,0,1]=4 4735 B14R0.394 CC(O)CCOCCCCCCCCCl 7a_100000033203_100012276601 [0,1,0,0,0,0|2,0,1]=4 4736 B14R0.394 CC(O)CCOCCCCCCCCN 34a_102515433106_100012276601 [0,1,0,0,0,0|2,0,1]=4 4737 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100000033203_100012276601 [0,1,0,0,0,0|2,0,1]=4 4738 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100012276601_100000033203 [0,1,0,0,0,0|2,0,1]=4 4739 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000078944_100011218427 [0,1,0,0,0,0|2,0,1]=4 4740 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000210904_100009813782 [0,1,0,0,0,0|2,0,1]=4 4741 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000078944_100011218427 [0,1,0,0,0,0|2,0,1]=4 4742 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000210904_100009813782 [0,1,0,0,0,0|2,0,1]=4 4743 B14R0.394 CC(O)COCCCCCCCCCBr 34a_100009813782_100011218427 [0,1,0,0,0,0|2,0,1]=4 4744 B14R0.394 CC(O)COCCCCCCCCCBr 7a_100009813782_100011218427 [0,1,0,0,0,0|2,0,1]=4 4745 B14R0.394 CC(O)COCCCCCCCCCCl 34a_100009868337_100011218427 [0,1,0,0,0,0|2,0,1]=4 4746 B14R0.394 CC(O)COCCCCCCCCCCl 7a_100009868337_100011218427 [0,1,0,0,0,0|2,0,1]=4 4747 B14R0.394 CC(O)COCCCCCCCCCN 34a_100000078944_100011218427 [0,1,0,0,0,0|2,0,1]=4 4748 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100009813782_100011218427 [0,1,0,0,0,0|2,0,1]=4 4749 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100011218427_100009813782 [0,1,0,0,0,0|2,0,1]=4 4750 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 34a_100016287902_100009817362 [0,1,0,0,0,0|1,0,2]=4 4751 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 7a_100016287902_100000735457 [0,1,0,0,0,0|1,0,2]=4 4752 B14R0.394 CC/C=C\CCCCCNCCC(=O)N 269862a_100000740010_100016288537 [0,1,0,0,0,0|1,0,2]=4 4753 B14R0.394 CC/C=C\CCCCCOCCC(=O)C 7a_100016268722_100000053229 [0,1,0,0,0,0|1,0,2]=4 4754 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 34a_100016268722_100000731001 [0,1,0,0,0,0|1,0,2]=4 4755 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 7a_100016268722_100000744528 [0,1,0,0,0,0|1,0,2]=4 4756 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 34a_100016287862_100000685027 [0,1,0,0,0,0|1,0,2]=4 4757 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 7a_100016287862_100011215641 [0,1,0,0,0,0|1,0,2]=4 4758 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 34a_100016287862_100102525003 [0,1,0,0,0,0|1,0,2]=4 4759 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 7a_100016287862_100102525003 [0,1,0,0,0,0|1,0,2]=4 4760 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100000123541_100015370543 [0,1,0,0,0,0|1,0,2]=4 4761 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100016288707_100009817443 [0,1,0,0,0,0|1,0,2]=4 4762 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100000123541_100015370543 [0,1,0,0,0,0|1,0,2]=4 4763 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100016288707_100009817443 [0,1,0,0,0,0|1,0,2]=4 4764 B14R0.394 CC/C=C\CCOCCCCCC(=O)[O-] 7a_100102619762_100015370543 [0,1,0,0,0,0|0,0,3]=4 4765 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100009817443_100015370543 [0,1,0,0,0,0|1,0,2]=4 4766 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100015370543_100009817443 [0,1,0,0,0,0|1,0,2]=4 4767 B14R0.394 CC=CCCCOCCCCCC(=O)N 34a_100020645299_100009817443 [0,1,0,0,0,0|1,0,2]=4 4768 B14R0.394 CCC#CCCCCCCNCC(=O)N 2230a_100000711301_200000036426 [0,1,0,0,0,0|1,0,2]=4 4769 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [0,1,0,0,0,0|0,0,2]=3 4770 B14R0.394 CCC#CCCCCCCOCC(=O)C 34a_100000211253_200000036426 [0,1,0,0,0,0|1,0,2]=4 4771 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_100000747473_200000036426 [0,1,0,0,0,0|1,0,2]=4 4772 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_200000036426_100000747473 [0,1,0,0,0,0|1,0,2]=4 4773 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_100020667443_200000036426 [0,1,0,0,0,0|0,0,3]=4 4774 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_200000036426_100020667443 [0,1,0,0,0,0|0,0,3]=4 4775 B14R0.394 CCC#CCCOCCCCCC(=O)N 34a_100000036655_100009817443 [0,1,0,0,0,0|1,0,2]=4 4776 B14R0.394 CCC#CCCOCCCCCC(=O)N 7a_100000036655_100009817443 [0,1,0,0,0,0|1,0,2]=4 4777 B14R0.394 CCC/C=C/COCCCCCC(=O)N 34a_100016278788_100009817443 [0,1,0,0,0,0|1,0,2]=4 4778 B14R0.394 CCC/C=C/COCCCCCC(=O)N 7a_100016278788_100009817443 [0,1,0,0,0,0|1,0,2]=4 4779 B14R0.394 CCCC#CCCOCCCCC(=O)C 34a_100000042726_100009817362 [0,1,0,0,0,0|1,0,2]=4 4780 B14R0.394 CCCC#CCCOCCCCC(=O)C 7a_100000042726_100000735457 [0,1,0,0,0,0|1,0,2]=4 4781 B14R0.394 CCCC#CCOCCCCCC(=O)N 34a_100000034806_100009817443 [0,1,0,0,0,0|1,0,2]=4 4782 B14R0.394 CCCC#CCOCCCCCC(=O)N 7a_100000034806_100009817443 [0,1,0,0,0,0|1,0,2]=4 4783 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 34a_200020645093_100000187820 [0,1,0,0,0,0|1,0,2]=4 4784 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 7a_200020645093_100000187820 [0,1,0,0,0,0|1,0,2]=4 4785 B14R0.394 CCCC/C=C/CCCCOCC(=O)[O-] 34a_200020645093_100020667443 [0,1,0,0,0,0|0,0,3]=4 4786 B14R0.394 CCCC/C=C/COCCCCC(=O)C 34a_200016272032_100009817362 [0,1,0,0,0,0|1,0,2]=4 4787 B14R0.394 CCCC/C=C/COCCCCC(=O)C 7a_200016272032_100000735457 [0,1,0,0,0,0|1,0,2]=4 4788 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 34a_200016286491_100000685027 [0,1,0,0,0,0|1,0,2]=4 4789 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 7a_200016286491_100011215641 [0,1,0,0,0,0|1,0,2]=4 4790 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 34a_200016286491_100102525003 [0,1,0,0,0,0|1,0,2]=4 4791 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 7a_200016286491_100102525003 [0,1,0,0,0,0|1,0,2]=4 4792 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [0,1,0,0,0,0|1,0,1]=3 4793 B14R0.394 CCCCC#CCCCCOCC(=O)N 34a_200000066234_100000187820 [0,1,0,0,0,0|1,0,2]=4 4794 B14R0.394 CCCCC#CCCCCOCC(=O)N 7a_200000066234_100000187820 [0,1,0,0,0,0|1,0,2]=4 4795 B14R0.394 CCCCC#CCCCCOCC(=O)[O-] 34a_200000066234_100020667443 [0,1,0,0,0,0|0,0,3]=4 4796 B14R0.394 CCCCC#CCCCNOCC(=O)O 269956a_100000106656_200000047210 [0,1,0,0,0,0|1,0,2]=4 4797 B14R0.394 CCCCC#CCCCOCCC(=O)C 34a_100000759926_200000047210 [0,1,0,0,0,0|1,0,2]=4 4798 B14R0.394 CCCCC#CCCCOCCC(=O)C 7a_100000759926_200000047210 [0,1,0,0,0,0|1,0,2]=4 4799 B14R0.394 CCCCC#CCCCOCCC(=O)N 34a_100000757172_200000047210 [0,1,0,0,0,0|1,0,2]=4 4800 B14R0.394 CCCCC#CCCCOCCC(=O)N 7a_100000757172_200000047210 [0,1,0,0,0,0|1,0,2]=4 4801 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_100000053229_200000047210 [0,1,0,0,0,0|1,0,2]=4 4802 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_200000047210_100000053229 [0,1,0,0,0,0|1,0,2]=4 4803 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_100000744528_200000047210 [0,1,0,0,0,0|1,0,2]=4 4804 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_200000047210_100000744528 [0,1,0,0,0,0|1,0,2]=4 4805 B14R0.394 CCCCC#CCCOCCCC(=O)C 34a_100000037610_100000685027 [0,1,0,0,0,0|1,0,2]=4 4806 B14R0.394 CCCCC#CCCOCCCC(=O)C 7a_100000037610_100011215641 [0,1,0,0,0,0|1,0,2]=4 4807 B14R0.394 CCCCC#CCCOCCCC(=O)N 34a_100000037610_100102525003 [0,1,0,0,0,0|1,0,2]=4 4808 B14R0.394 CCCCC#CCCOCCCC(=O)N 7a_100000037610_100102525003 [0,1,0,0,0,0|1,0,2]=4 4809 B14R0.394 CCCCC#CCOCCCCC(=O)C 34a_200000034558_100009817362 [0,1,0,0,0,0|1,0,2]=4 4810 B14R0.394 CCCCC#CCOCCCCC(=O)C 7a_200000034558_100000735457 [0,1,0,0,0,0|1,0,2]=4 4811 B14R0.394 CCCCC/C=C/COCCCC(=O)C 34a_100016258190_100000685027 [0,1,0,0,0,0|1,0,2]=4 4812 B14R0.394 CCCCC/C=C/COCCCC(=O)C 7a_100016258190_100011215641 [0,1,0,0,0,0|1,0,2]=4 4813 B14R0.394 CCCCC/C=C/COCCCC(=O)N 34a_100016258190_100102525003 [0,1,0,0,0,0|1,0,2]=4 4814 B14R0.394 CCCCC/C=C/COCCCC(=O)N 7a_100016258190_100102525003 [0,1,0,0,0,0|1,0,2]=4 4815 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 34a_100020655193_100000187820 [0,1,0,0,0,0|1,0,2]=4 4816 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 7a_100020655193_100000187820 [0,1,0,0,0,0|1,0,2]=4 4817 B14R0.394 CCCCC/C=C\CCCOCC(=O)[O-] 34a_100020655193_100020667443 [0,1,0,0,0,0|0,0,3]=4 4818 B14R0.394 CCCCC/C=C\CCOCCC(=O)C 7a_100016277358_100000053229 [0,1,0,0,0,0|1,0,2]=4 4819 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 34a_100016277358_100000731001 [0,1,0,0,0,0|1,0,2]=4 4820 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 7a_100016277358_100000744528 [0,1,0,0,0,0|1,0,2]=4 4821 B14R0.394 CCCCCC#CCCOCCC(=O)C 7a_200000042877_100000053229 [0,1,0,0,0,0|1,0,2]=4 4822 B14R0.394 CCCCCC#CCCOCCC(=O)N 34a_200000042877_100000731001 [0,1,0,0,0,0|1,0,2]=4 4823 B14R0.394 CCCCCC#CCCOCCC(=O)N 7a_200000042877_100000744528 [0,1,0,0,0,0|1,0,2]=4 4824 B14R0.394 CCCCCC#CCNCCCC(=O)N 34a_100000739312_100009816472 [0,1,0,0,0,0|1,0,2]=4 4825 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_100000759063_100009816472 [0,1,0,0,0,0|1,0,2]=4 4826 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_200000033628_100000685027 [0,1,0,0,0,0|1,0,2]=4 4827 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_100000759063_100009816472 [0,1,0,0,0,0|1,0,2]=4 4828 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_200000033628_100011215641 [0,1,0,0,0,0|1,0,2]=4 4829 B14R0.394 CCCCCC#CCOCCCC(=O)N 34a_200000033628_100102525003 [0,1,0,0,0,0|1,0,2]=4 4830 B14R0.394 CCCCCC#CCOCCCC(=O)N 7a_200000033628_100102525003 [0,1,0,0,0,0|1,0,2]=4 4831 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100009816472_100011215641 [0,1,0,0,0,0|1,0,2]=4 4832 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100011215641_100009816472 [0,1,0,0,0,0|1,0,2]=4 4833 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100009816472_100102525003 [0,1,0,0,0,0|1,0,2]=4 4834 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100102525003_100009816472 [0,1,0,0,0,0|1,0,2]=4 4835 B14R0.394 CCCCCC/C=C/COCCC(=O)C 7a_200016276170_100000053229 [0,1,0,0,0,0|1,0,2]=4 4836 B14R0.394 CCCCCC/C=C/COCCC(=O)N 34a_200016276170_100000731001 [0,1,0,0,0,0|1,0,2]=4 4837 B14R0.394 CCCCCC/C=C/COCCC(=O)N 7a_200016276170_100000744528 [0,1,0,0,0,0|1,0,2]=4 4838 B14R0.394 CCCCCCC#CCCOCC(=O)N 34a_200000033163_100000187820 [0,1,0,0,0,0|1,0,2]=4 4839 B14R0.394 CCCCCCC#CCCOCC(=O)N 7a_200000033163_100000187820 [0,1,0,0,0,0|1,0,2]=4 4840 B14R0.394 CCCCCCC#CCCOCC(=O)[O-] 34a_200000033163_100020667443 [0,1,0,0,0,0|0,0,3]=4 4841 B14R0.394 CCCCCCC#CCOCCC(=O)C 7a_200000037284_100000053229 [0,1,0,0,0,0|1,0,2]=4 4842 B14R0.394 CCCCCCC#CCOCCC(=O)N 34a_200000037284_100000731001 [0,1,0,0,0,0|1,0,2]=4 4843 B14R0.394 CCCCCCC#CCOCCC(=O)N 7a_200000037284_100000744528 [0,1,0,0,0,0|1,0,2]=4 4844 B14R0.394 CCCCCCCC#CCOCC(=O)N 34a_200000061759_100000187820 [0,1,0,0,0,0|1,0,2]=4 4845 B14R0.394 CCCCCCCC#CCOCC(=O)N 7a_200000061759_100000187820 [0,1,0,0,0,0|1,0,2]=4 4846 B14R0.394 CCCCCCCC#CCOCC(=O)[O-] 34a_200000061759_100020667443 [0,1,0,0,0,0|0,0,3]=4 4847 B14R0.394 CCCCCCCCCC=NNC(=O)C 4a_100000189765_100000210895 [0,1,0,0,0,0|2,0,1]=4 4848 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [0,1,0,0,0,0|1,0,0]=2 4849 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [0,1,0,0,0,0|1,0,0]=2 4850 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [0,1,0,0,0,0|1,0,0]=2 4851 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100000227908_200000210301 [0,1,0,0,0,0|3,0,0]=4 4852 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100102631434_100011215052 [0,1,0,0,0,0|3,0,0]=4 4853 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100000227908_200000210301 [0,1,0,0,0,0|3,0,0]=4 4854 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100102631434_100000759014 [0,1,0,0,0,0|3,0,0]=4 4855 B14R0.394 CCCCCCCCCCCCN(C)C 270004a_100102631434_100011218549 [0,1,0,0,0,0|3,0,0]=4 4856 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 2230a_100000227908_200025704644 [0,1,0,0,0,0|3,0,0]=4 4857 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 269982a_100000227908_200025704644 [0,1,0,0,0,0|3,0,0]=4 4858 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 4859 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 4860 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 4861 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [0,1,0,0,0,0|1,0,0]=2 4862 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_100138425928_100011215454 [0,1,0,0,0,0|2,0,1]=4 4863 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_200011215754_100000210206 [0,1,0,0,0,0|2,0,1]=4 4864 B14R0.394 CCCCCCCCCCCNC(C)C 34a_100138425928_100011215454 [0,1,0,0,0,0|2,0,1]=4 4865 B14R0.394 CCCCCCCCCCCNC(C)C 34a_200011215754_100000210206 [0,1,0,0,0,0|2,0,1]=4 4866 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000210809_100000210206 [0,1,0,0,0,0|2,0,1]=4 4867 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000212225_100011215454 [0,1,0,0,0,0|2,0,1]=4 4868 B14R0.394 CCCCCCCCCCCOC(C)C 7a_100000210809_100000210206 [0,1,0,0,0,0|2,0,1]=4 4869 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [0,1,0,0,0,0|1,0,0]=2 4870 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [0,1,0,0,0,0|1,0,0]=2 4871 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [0,1,0,0,0,0|1,0,0]=2 4872 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,1,0,0,0,0|0,0,0]=1 4873 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [0,1,0,0,0,0|0,0,1]=2 4874 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000210953_100000210320 [0,1,0,0,0,0|2,0,1]=4 4875 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000684558_100000210760 [0,1,0,0,0,0|2,0,1]=4 4876 B14R0.394 CCCCCCCCCCNCC(C)C 270004a_100000684558_100000210432 [0,1,0,0,0,0|2,0,1]=4 4877 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000210953_100000210320 [0,1,0,0,0,0|2,0,1]=4 4878 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000684558_100000210624 [0,1,0,0,0,0|2,0,1]=4 4879 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [0,1,0,0,0,0|1,0,1]=3 4880 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [0,1,0,0,0,0|1,0,1]=3 4881 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [0,1,0,0,0,0|1,0,1]=3 4882 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [0,1,0,0,0,0|1,0,1]=3 4883 B14R0.394 CCCCCCCCCCNCC(F)F 2230a_100000684558_100011934356 [0,1,0,0,0,0|2,0,1]=4 4884 B14R0.394 CCCCCCCCCCNCC(F)F 34a_100000684558_100011934356 [0,1,0,0,0,0|2,0,1]=4 4885 B14R0.394 CCCCCCCCCCNCC(F)F 34a_100000765723_100000210320 [0,1,0,0,0,0|2,0,1]=4 4886 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [0,1,0,0,0,0|1,0,1]=3 4887 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [0,1,0,0,0,0|1,0,1]=3 4888 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [0,1,0,0,0,0|1,0,1]=3 4889 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [0,1,0,0,0,0|1,0,0]=2 4890 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [0,1,0,0,0,0|1,0,0]=2 4891 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [0,1,0,0,0,0|1,0,0]=2 4892 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [0,1,0,0,0,0|0,0,1]=2 4893 B14R0.394 CCCCCCCCCCOCC(C)Br 34a_100012180447_100000210320 [0,1,0,0,0,0|2,0,1]=4 4894 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210257_100000210320 [0,1,0,0,0,0|2,0,1]=4 4895 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210711_100000210624 [0,1,0,0,0,0|2,0,1]=4 4896 B14R0.394 CCCCCCCCCCOCC(C)C 7a_100000210711_100000210760 [0,1,0,0,0,0|2,0,1]=4 4897 B14R0.394 CCCCCCCCCCOCC(C)F 34a_100015925927_100000210320 [0,1,0,0,0,0|2,0,1]=4 4898 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [0,1,0,0,0,0|1,0,1]=3 4899 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [0,1,0,0,0,0|1,0,1]=3 4900 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000210711_100011934356 [0,1,0,0,0,0|2,0,1]=4 4901 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000743014_100000210320 [0,1,0,0,0,0|2,0,1]=4 4902 B14R0.394 CCCCCCCCCCOCC(F)F 7a_100000210711_100011934356 [0,1,0,0,0,0|2,0,1]=4 4903 B14R0.394 CCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210320 [0,1,0,0,0,0|2,0,1]=4 4904 B14R0.394 CCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210320 [0,1,0,0,0,0|2,0,1]=4 4905 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [0,1,0,0,0,0|1,0,1]=3 4906 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [0,1,0,0,0,0|1,0,1]=3 4907 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [0,1,0,0,0,0|1,0,1]=3 4908 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [0,1,0,0,0,0|1,0,0]=2 4909 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [0,1,0,0,0,0|0,0,1]=2 4910 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [0,1,0,0,0,0|1,0,1]=3 4911 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [0,1,0,0,0,0|1,0,1]=3 4912 B14R0.394 CCCCCCCCCNCC=C(C)C 2230a_100000212291_100000761012 [0,1,0,0,0,0|2,0,1]=4 4913 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000212291_100000761012 [0,1,0,0,0,0|2,0,1]=4 4914 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000718196_100011214924 [0,1,0,0,0,0|2,0,1]=4 4915 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [0,1,0,0,0,0|1,0,0]=2 4916 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [0,1,0,0,0,0|1,0,0]=2 4917 B14R0.394 CCCCCCCCCNCCC(C)C 2230a_100000212291_100000210312 [0,1,0,0,0,0|2,0,1]=4 4918 B14R0.394 CCCCCCCCCNCCC(C)C 269862a_100000212291_100000185833 [0,1,0,0,0,0|2,0,1]=4 4919 B14R0.394 CCCCCCCCCNCCC(C)C 34a_100000212291_100000210312 [0,1,0,0,0,0|2,0,1]=4 4920 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [0,1,0,0,0,0|1,0,1]=3 4921 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [0,1,0,0,0,0|1,0,1]=3 4922 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [0,1,0,0,0,0|1,0,1]=3 4923 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [0,1,0,0,0,0|2,0,0]=3 4924 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,1,0,0,0,0|1,0,0]=2 4925 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000210712_100000761012 [0,1,0,0,0,0|2,0,1]=4 4926 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000753907_100011214924 [0,1,0,0,0,0|2,0,1]=4 4927 B14R0.394 CCCCCCCCCOCC=C(C)C 7a_100000210712_100000761012 [0,1,0,0,0,0|2,0,1]=4 4928 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [0,1,0,0,0,0|1,0,0]=2 4929 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [0,1,0,0,0,0|1,0,0]=2 4930 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [0,1,0,0,0,0|1,0,0]=2 4931 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [0,1,0,0,0,0|1,0,0]=2 4932 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [0,1,0,0,0,0|1,0,0]=2 4933 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [0,1,0,0,0,0|1,0,0]=2 4934 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [0,1,0,0,0,0|1,0,0]=2 4935 B14R0.394 CCCCCCCCCOCCC(C)Br 34a_100009893172_100011214924 [0,1,0,0,0,0|2,0,1]=4 4936 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210254_100011214924 [0,1,0,0,0,0|2,0,1]=4 4937 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210712_100000210312 [0,1,0,0,0,0|2,0,1]=4 4938 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210254_100000210328 [0,1,0,0,0,0|2,0,1]=4 4939 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210712_100000210626 [0,1,0,0,0,0|2,0,1]=4 4940 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [0,1,0,0,0,0|1,0,1]=3 4941 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [0,1,0,0,0,0|1,0,1]=3 4942 B14R0.394 CCCCCCCCCOCCC(F)F 34a_100103093639_100011214924 [0,1,0,0,0,0|2,0,1]=4 4943 B14R0.394 CCCCCCCCCOCCN(C)C 7a_100000210712_100000755713 [0,1,0,0,0,0|3,0,0]=4 4944 B14R0.394 CCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011214924 [0,1,0,0,0,0|2,0,1]=4 4945 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [0,1,0,0,0,0|2,0,0]=3 4946 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [0,1,0,0,0,0|1,0,0]=2 4947 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [0,1,0,0,0,0|1,0,0]=2 4948 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [0,1,0,0,0,0|1,0,1]=3 4949 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [0,1,0,0,0,0|2,0,0]=3 4950 B14R0.394 CCCCCCCCNCCC=C(C)C 2230a_100000229939_100011217483 [0,1,0,0,0,0|2,0,1]=4 4951 B14R0.394 CCCCCCCCNCCC=C(C)C 34a_100000229939_100011217483 [0,1,0,0,0,0|2,0,1]=4 4952 B14R0.394 CCCCCCCCNCCC=C(F)F 2230a_100000229939_200009816681 [0,1,0,0,0,0|2,0,1]=4 4953 B14R0.394 CCCCCCCCNCCC=C(F)F 34a_100000229939_200009816681 [0,1,0,0,0,0|2,0,1]=4 4954 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [0,1,0,0,0,0|1,0,0]=2 4955 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [0,1,0,0,0,0|1,0,0]=2 4956 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [0,1,0,0,0,0|1,0,0]=2 4957 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_100000229939_100011214892 [0,1,0,0,0,0|2,0,1]=4 4958 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_200000737386_100000210759 [0,1,0,0,0,0|2,0,1]=4 4959 B14R0.394 CCCCCCCCNCCCC(C)C 34a_100000229939_100011214892 [0,1,0,0,0,0|2,0,1]=4 4960 B14R0.394 CCCCCCCCNCCCC(C)C 34a_200000737386_100000210759 [0,1,0,0,0,0|2,0,1]=4 4961 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [0,1,0,0,0,0|1,0,1]=3 4962 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [0,1,0,0,0,0|1,0,1]=3 4963 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [0,1,0,0,0,0|2,0,0]=3 4964 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [0,1,0,0,0,0|2,0,0]=3 4965 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [0,1,0,0,0,0|2,0,0]=3 4966 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [0,1,0,0,0,0|2,0,0]=3 4967 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [0,1,0,0,0,0|2,0,0]=3 4968 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [0,1,0,0,0,0|2,0,0]=3 4969 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [0,1,0,0,0,0|2,0,0]=3 4970 B14R0.394 CCCCCCCCOCCC=C(C)C 34a_100000210232_100011217483 [0,1,0,0,0,0|2,0,1]=4 4971 B14R0.394 CCCCCCCCOCCC=C(C)C 7a_100000210232_100011217483 [0,1,0,0,0,0|2,0,1]=4 4972 B14R0.394 CCCCCCCCOCCC=C(F)F 34a_100000210232_200009816681 [0,1,0,0,0,0|2,0,1]=4 4973 B14R0.394 CCCCCCCCOCCC=C(F)F 7a_100000210232_200009816681 [0,1,0,0,0,0|2,0,1]=4 4974 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [0,1,0,0,0,0|1,0,0]=2 4975 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [0,1,0,0,0,0|1,0,0]=2 4976 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [0,1,0,0,0,0|1,0,0]=2 4977 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [0,1,0,0,0,0|1,0,0]=2 4978 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [0,1,0,0,0,0|1,0,0]=2 4979 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [0,1,0,0,0,0|1,0,0]=2 4980 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210232_100011214892 [0,1,0,0,0,0|2,0,1]=4 4981 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210774_100000210759 [0,1,0,0,0,0|2,0,1]=4 4982 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210232_100011214892 [0,1,0,0,0,0|2,0,1]=4 4983 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210774_100000210759 [0,1,0,0,0,0|2,0,1]=4 4984 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [0,1,0,0,0,0|1,0,1]=3 4985 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [0,1,0,0,0,0|1,0,1]=3 4986 B14R0.394 CCCCCCCCOCCCN(C)C 7a_100000210232_100000757444 [0,1,0,0,0,0|3,0,0]=4 4987 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [0,1,0,0,0,0|1,0,1]=3 4988 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [0,1,0,0,0,0|2,0,0]=3 4989 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [0,1,0,0,0,0|2,0,0]=3 4990 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [0,1,0,0,0,0|2,0,0]=3 4991 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [0,1,0,0,0,0|2,0,0]=3 4992 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [0,1,0,0,0,0|2,0,0]=3 4993 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [0,1,0,0,0,0|2,0,0]=3 4994 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [0,1,0,0,0,0|2,0,0]=3 4995 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [0,1,0,0,0,0|2,0,0]=3 4996 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [0,1,0,0,0,0|2,0,0]=3 4997 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [0,1,0,0,0,0|1,0,0]=2 4998 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [0,1,0,0,0,0|1,0,0]=2 4999 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [0,1,0,0,0,0|1,0,0]=2 5000 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [0,1,0,0,0,0|1,0,0]=2 5001 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [0,1,0,0,0,0|1,0,1]=3 5002 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [0,1,0,0,0,0|1,0,1]=3 5003 B14R0.394 CCCCCCCCSCCCN(C)C 62a_100000210759_100000757444 [0,1,0,0,0,0|3,0,0]=4 5004 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [0,1,0,0,0,0|2,0,0]=3 5005 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [0,1,0,0,0,0|2,0,0]=3 5006 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [0,1,0,0,0,0|2,0,0]=3 5007 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [0,1,0,0,0,0|2,0,0]=3 5008 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [0,1,0,0,0,0|2,0,0]=3 5009 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [0,1,0,0,0,0|2,0,0]=3 5010 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [0,1,0,0,0,0|2,0,0]=3 5011 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [0,1,0,0,0,0|2,0,0]=3 5012 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [0,1,0,0,0,0|1,0,1]=3 5013 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [0,1,0,0,0,0|1,0,0]=2 5014 B14R0.394 CCCCCCCNCCCCC(C)C 2230a_100000229938_100011216152 [0,1,0,0,0,0|2,0,1]=4 5015 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [0,1,0,0,0,0|2,0,0]=3 5016 B14R0.394 CCCCCCCNCCCOC(=S)C 2230a_100000229938_200135323944 [0,1,0,0,0,0|2,1,0]=4 5017 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [0,1,0,0,0,0|2,0,0]=3 5018 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [0,1,0,0,0,0|2,0,0]=3 5019 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,1,0,0,0,0|1,0,0]=2 5020 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [0,1,0,0,0,0|1,0,1]=3 5021 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [0,1,0,0,0,0|1,0,1]=3 5022 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [0,1,0,0,0,0|1,0,0]=2 5023 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [0,1,0,0,0,0|1,0,0]=2 5024 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [0,1,0,0,0,0|1,0,0]=2 5025 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [0,1,0,0,0,0|1,0,0]=2 5026 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100000210272_100011216152 [0,1,0,0,0,0|2,0,1]=4 5027 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100011214890_100000210614 [0,1,0,0,0,0|2,0,1]=4 5028 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100000210272_100011216152 [0,1,0,0,0,0|2,0,1]=4 5029 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100011214890_100000210614 [0,1,0,0,0,0|2,0,1]=4 5030 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [0,1,0,0,0,0|1,0,1]=3 5031 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [0,1,0,0,0,0|1,0,1]=3 5032 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [0,1,0,0,0,0|2,0,0]=3 5033 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [0,1,0,0,0,0|2,0,0]=3 5034 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [0,1,0,0,0,0|2,0,0]=3 5035 B14R0.394 CCCCCCCOCCCOC(=S)C 34a_100000210272_200135323944 [0,1,0,0,0,0|2,1,0]=4 5036 B14R0.394 CCCCCCCOCCCOC(=S)C 7a_100000210272_200135323944 [0,1,0,0,0,0|2,1,0]=4 5037 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [0,1,0,0,0,0|2,0,0]=3 5038 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [0,1,0,0,0,0|2,0,0]=3 5039 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [0,1,0,0,0,0|2,0,0]=3 5040 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [0,1,0,0,0,0|2,0,0]=3 5041 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [0,1,0,0,0,0|1,0,1]=3 5042 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [0,1,0,0,0,0|1,0,1]=3 5043 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [0,1,0,0,0,0|1,0,0]=2 5044 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [0,1,0,0,0,0|1,0,0]=2 5045 B14R0.394 CCCCCCCSCCCCN(C)C 62a_100000210614_100000690147 [0,1,0,0,0,0|3,0,0]=4 5046 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [0,1,0,0,0,0|2,0,0]=3 5047 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [0,1,0,0,0,0|2,0,0]=3 5048 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_100000210614_200135323944 [0,1,0,0,0,0|2,1,0]=4 5049 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_200135323944_100000210316 [0,1,0,0,0,0|2,1,0]=4 5050 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [0,1,0,0,0,0|2,0,0]=3 5051 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [0,1,0,0,0,0|2,0,0]=3 5052 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [0,1,0,0,0,0|2,0,0]=3 5053 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [0,1,0,0,0,0|2,0,0]=3 5054 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [0,1,0,0,0,0|1,0,1]=3 5055 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [0,1,0,0,0,0|1,0,0]=2 5056 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100000210581_100000210682 [0,1,0,0,0,0|2,0,1]=4 5057 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100011290863_100000210314 [0,1,0,0,0,0|2,0,1]=4 5058 B14R0.394 CCCCCCNCCCCCC(C)C 34a_100011290863_100000210314 [0,1,0,0,0,0|2,0,1]=4 5059 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [0,1,0,0,0,0|2,0,0]=3 5060 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [0,1,0,0,0,0|2,0,0]=3 5061 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [0,1,0,0,0,0|2,0,0]=3 5062 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [0,1,0,0,0,0|1,0,1]=3 5063 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [0,1,0,0,0,0|1,0,1]=3 5064 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [0,1,0,0,0,0|1,0,0]=2 5065 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [0,1,0,0,0,0|1,0,0]=2 5066 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [0,1,0,0,0,0|1,0,0]=2 5067 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [0,1,0,0,0,0|1,0,0]=2 5068 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [0,1,0,0,0,0|0,0,1]=2 5069 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100000210259_100000210682 [0,1,0,0,0,0|2,0,1]=4 5070 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100011995859_100000210314 [0,1,0,0,0,0|2,0,1]=4 5071 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100000210259_100000210682 [0,1,0,0,0,0|2,0,1]=4 5072 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100011995859_100000210314 [0,1,0,0,0,0|2,0,1]=4 5073 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [0,1,0,0,0,0|2,0,0]=3 5074 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [0,1,0,0,0,0|2,0,0]=3 5075 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [0,1,0,0,0,0|2,0,0]=3 5076 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [0,1,0,0,0,0|2,0,0]=3 5077 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 34a_100000210259_100015694321 [0,1,0,0,0,0|2,0,1]=4 5078 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 7a_100000210259_100015694321 [0,1,0,0,0,0|2,0,1]=4 5079 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [0,1,0,0,0,0|2,0,0]=3 5080 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [0,1,0,0,0,0|2,0,0]=3 5081 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [0,1,0,0,0,0|2,0,0]=3 5082 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [0,1,0,0,0,0|2,0,0]=3 5083 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [0,1,0,0,0,0|2,0,0]=3 5084 B14R0.394 CCCCCCOCCOCCC(C)O 34a_100000691444_100012276601 [0,1,0,0,0,0|2,0,1]=4 5085 B14R0.394 CCCCCCOCCOCCC(C)O 7a_100000691444_100012276601 [0,1,0,0,0,0|2,0,1]=4 5086 B14R0.394 CCCCCCOCCOCOC(=O)C 34a_100000691444_100009813279 [0,1,0,0,0,0|3,0,0]=4 5087 B14R0.394 CCCCCCOCOCCOC(=O)C 34a_100000210259_100000076355 [0,1,0,0,0,0|3,0,0]=4 5088 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [0,1,0,0,0,0|1,0,1]=3 5089 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [0,1,0,0,0,0|1,0,1]=3 5090 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [0,1,0,0,0,0|1,0,0]=2 5091 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [0,1,0,0,0,0|1,0,0]=2 5092 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [0,1,0,0,0,0|2,0,0]=3 5093 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [0,1,0,0,0,0|2,0,0]=3 5094 B14R0.394 CCCCCCSCCCCO[N+](=O)[O-] 62a_100000210314_100015694321 [0,1,0,0,0,0|2,0,1]=4 5095 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [0,1,0,0,0,0|2,0,0]=3 5096 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [0,1,0,0,0,0|2,0,0]=3 5097 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000076355_100000210757 [0,1,0,0,0,0|3,0,0]=4 5098 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000210314_100000076355 [0,1,0,0,0,0|3,0,0]=4 5099 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [0,1,0,0,0,0|1,0,1]=3 5100 B14R0.394 CCCCCNCCCCCCC(C)C 2230a_100000211014_100000210326 [0,1,0,0,0,0|2,0,1]=4 5101 B14R0.394 CCCCCNCCCCCCC(C)C 34a_100000211014_100000718602 [0,1,0,0,0,0|2,0,1]=4 5102 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [0,1,0,0,0,0|2,0,0]=3 5103 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [0,1,0,0,0,0|2,0,0]=3 5104 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [0,1,0,0,0,0|2,0,0]=3 5105 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [0,1,0,0,0,0|2,0,0]=3 5106 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [0,1,0,0,0,0|2,0,0]=3 5107 B14R0.394 CCCCCNCCOCCCC(C)O 34a_100000224656_200000718107 [0,1,0,0,0,0|2,0,1]=4 5108 B14R0.394 CCCCCNCCOCCOC(=O)C 2230a_100000209983_200000083610 [0,1,0,0,0,0|3,0,0]=4 5109 B14R0.394 CCCCCNCCOCCOC(=O)C 34a_100000224656_100009814007 [0,1,0,0,0,0|3,0,0]=4 5110 B14R0.394 CCCCCNCCOCCOC(=O)N 34a_100000224656_200011214921 [0,1,0,0,0,0|3,0,0]=4 5111 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [0,1,0,0,0,0|1,0,1]=3 5112 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [0,1,0,0,0,0|1,0,1]=3 5113 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [0,1,0,0,0,0|2,0,0]=3 5114 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [0,1,0,0,0,0|2,0,0]=3 5115 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [0,1,0,0,0,0|2,0,0]=3 5116 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [0,1,0,0,0,0|2,0,0]=3 5117 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [0,1,0,0,0,0|2,0,0]=3 5118 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [0,1,0,0,0,0|2,0,0]=3 5119 B14R0.394 CCCCCOCCOCCCC(C)O 34a_100011215259_200000718107 [0,1,0,0,0,0|2,0,1]=4 5120 B14R0.394 CCCCCOCCOCCCC(C)O 7a_100011215259_200000718107 [0,1,0,0,0,0|2,0,1]=4 5121 B14R0.394 CCCCCOCCOCCNC(=O)C 7a_100011215259_100000189650 [0,1,0,0,0,0|3,0,0]=4 5122 B14R0.394 CCCCCOCCOCCNC(=O)N 7a_100011215259_200000034859 [0,1,0,0,0,0|3,0,0]=4 5123 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100000210253_200000083610 [0,1,0,0,0,0|3,0,0]=4 5124 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100011215259_100009814007 [0,1,0,0,0,0|3,0,0]=4 5125 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100000210253_200000083610 [0,1,0,0,0,0|3,0,0]=4 5126 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100011215259_100009814007 [0,1,0,0,0,0|3,0,0]=4 5127 B14R0.394 CCCCCOCCOCCOC(=O)N 34a_100011215259_200011214921 [0,1,0,0,0,0|3,0,0]=4 5128 B14R0.394 CCCCCOCCOCCOC(=O)N 7a_100011215259_200011214921 [0,1,0,0,0,0|3,0,0]=4 5129 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [0,1,0,0,0,0|1,0,1]=3 5130 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [0,1,0,0,0,0|1,0,1]=3 5131 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [0,1,0,0,0,0|2,0,0]=3 5132 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [0,1,0,0,0,0|2,0,0]=3 5133 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_100000210326_200000083610 [0,1,0,0,0,0|3,0,0]=4 5134 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_200000083610_100000210326 [0,1,0,0,0,0|3,0,0]=4 5135 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [0,1,0,0,0,0|2,0,0]=3 5136 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [0,1,0,0,0,0|2,0,0]=3 5137 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [0,1,0,0,0,0|2,0,0]=3 5138 B14R0.394 CCCCNCCCCOCCC(C)O 34a_200011216965_100012276601 [0,1,0,0,0,0|2,0,1]=4 5139 B14R0.394 CCCCNCCCCOCOC(=O)C 34a_200011216965_100009813279 [0,1,0,0,0,0|3,0,0]=4 5140 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,1,0,0,0,0|2,0,0]=3 5141 B14R0.394 CCCCOCCCCCCCC(C)C 34a_200000210741_100000210210 [0,1,0,0,0,0|2,0,1]=4 5142 B14R0.394 CCCCOCCCCCCCC(C)C 7a_200000210741_100000210211 [0,1,0,0,0,0|2,0,1]=4 5143 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [0,1,0,0,0,0|2,0,0]=3 5144 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [0,1,0,0,0,0|2,0,0]=3 5145 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [0,1,0,0,0,0|2,0,0]=3 5146 B14R0.394 CCCCOCCCCOCCC(C)O 34a_200000760531_100012276601 [0,1,0,0,0,0|2,0,1]=4 5147 B14R0.394 CCCCOCCCCOCCC(C)O 7a_200000760531_100012276601 [0,1,0,0,0,0|2,0,1]=4 5148 B14R0.394 CCCCOCCCCOCOC(=O)C 34a_200000760531_100009813279 [0,1,0,0,0,0|3,0,0]=4 5149 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [0,1,0,0,0,0|2,0,0]=3 5150 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [0,1,0,0,0,0|2,0,0]=3 5151 B14R0.394 CCCCOCCCNCCCC(C)O 2230a_200000211371_200000718107 [0,1,0,0,0,0|2,0,1]=4 5152 B14R0.394 CCCCOCCCNCCCC(C)O 34a_200000211371_200000718107 [0,1,0,0,0,0|2,0,1]=4 5153 B14R0.394 CCCCOCCCNCCNC(=O)C 2230a_200000211371_100000189650 [0,1,0,0,0,0|3,0,0]=4 5154 B14R0.394 CCCCOCCCNCCNC(=O)N 2230a_200000211371_200000034859 [0,1,0,0,0,0|3,0,0]=4 5155 B14R0.394 CCCCOCCCNCCOC(=O)C 34a_200000211371_100009814007 [0,1,0,0,0,0|3,0,0]=4 5156 B14R0.394 CCCCOCCCNCCOC(=O)N 34a_200000211371_200011214921 [0,1,0,0,0,0|3,0,0]=4 5157 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [0,1,0,0,0,0|2,0,0]=3 5158 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [0,1,0,0,0,0|2,0,0]=3 5159 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [0,1,0,0,0,0|2,0,0]=3 5160 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [0,1,0,0,0,0|2,0,0]=3 5161 B14R0.394 CCCCOCCCOCCCC(C)O 34a_200011215613_200000718107 [0,1,0,0,0,0|2,0,1]=4 5162 B14R0.394 CCCCOCCCOCCCC(C)O 7a_200011215613_200000718107 [0,1,0,0,0,0|2,0,1]=4 5163 B14R0.394 CCCCOCCCOCCNC(=O)C 7a_200011215613_100000189650 [0,1,0,0,0,0|3,0,0]=4 5164 B14R0.394 CCCCOCCCOCCNC(=O)N 7a_200011215613_200000034859 [0,1,0,0,0,0|3,0,0]=4 5165 B14R0.394 CCCCOCCCOCCOC(=O)C 34a_200011215613_100009814007 [0,1,0,0,0,0|3,0,0]=4 5166 B14R0.394 CCCCOCCCOCCOC(=O)C 7a_200011215613_100009814007 [0,1,0,0,0,0|3,0,0]=4 5167 B14R0.394 CCCCOCCCOCCOC(=O)N 34a_200011215613_200011214921 [0,1,0,0,0,0|3,0,0]=4 5168 B14R0.394 CCCCOCCCOCCOC(=O)N 7a_200011215613_200011214921 [0,1,0,0,0,0|3,0,0]=4 5169 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [0,1,0,0,0,0|2,0,0]=3 5170 B14R0.394 CCCCOCCNCCCNC(=O)C 34a_100000736810_100000743108 [0,1,0,0,0,0|3,0,0]=4 5171 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,1,0,0,0,0|2,0,0]=3 5172 B14R0.394 CCCCOCCOCCCCB(O)O 34a_100000210238_200009817182 [0,1,0,0,0,0|2,0,1]=4 5173 B14R0.394 CCCCOCCOCCCCB(O)O 7a_100000210238_200009817182 [0,1,0,0,0,0|2,0,1]=4 5174 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [0,1,0,0,0,0|2,0,0]=3 5175 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [0,1,0,0,0,0|2,0,0]=3 5176 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [0,1,0,0,0,0|2,0,0]=3 5177 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [0,1,0,0,0,0|2,0,0]=3 5178 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000743108 [0,1,0,0,0,0|2,0,1]=4 5179 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100000743108 [0,1,0,0,0,0|2,0,1]=4 5180 B14R0.394 CCCCOCCOCCCNC(=O)C 34a_100000752032_100000743108 [0,1,0,0,0,0|3,0,0]=4 5181 B14R0.394 CCCCOCCOCCCOC(=O)C 34a_100000210238_100000042594 [0,1,0,0,0,0|3,0,0]=4 5182 B14R0.394 CCCCOCCOCCCOC(=O)C 7a_100000210238_100000042594 [0,1,0,0,0,0|3,0,0]=4 5183 B14R0.394 CCCCOCCOCCCSC(=O)C 34a_100000210238_100000038929 [0,1,0,0,0,0|3,0,0]=4 5184 B14R0.394 CCCCOCCOCCCSC(=O)C 7a_100000210238_100000038929 [0,1,0,0,0,0|3,0,0]=4 5185 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100000210238_100000076697 [0,1,0,0,0,0|3,0,0]=4 5186 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100011215186_100000187820 [0,1,0,0,0,0|3,0,0]=4 5187 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100000210238_100000076697 [0,1,0,0,0,0|3,0,0]=4 5188 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100011215186_100000187820 [0,1,0,0,0,0|3,0,0]=4 5189 B14R0.394 CCCCOCCOCCOCC(=O)[O-] 34a_100011215186_100020667443 [0,1,0,0,0,0|2,0,1]=4 5190 B14R0.394 CCCCOCCSCCCCB(O)O 62a_100000743108_200009817182 [0,1,0,0,0,0|2,0,1]=4 5191 B14R0.394 CCCCOCCSCCCCB(O)O 62a_200009817182_100000743108 [0,1,0,0,0,0|2,0,1]=4 5192 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [0,1,0,0,0,0|2,0,0]=3 5193 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [0,1,0,0,0,0|2,0,0]=3 5194 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000042594_100000743108 [0,1,0,0,0,0|3,0,0]=4 5195 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000743108_100000042594 [0,1,0,0,0,0|3,0,0]=4 5196 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000038929_100000743108 [0,1,0,0,0,0|3,0,0]=4 5197 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000743108_100000038929 [0,1,0,0,0,0|3,0,0]=4 5198 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000076697_100000743108 [0,1,0,0,0,0|3,0,0]=4 5199 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000743108_100000076697 [0,1,0,0,0,0|3,0,0]=4 5200 B14R0.394 CCCCOCNCCCCNC(=O)C 2230a_200011368371_100011995733 [0,1,0,0,0,0|3,0,0]=4 5201 B14R0.394 CCCCOCNCCCCNC(=O)C 34a_200011368371_100011995733 [0,1,0,0,0,0|3,0,0]=4 5202 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [0,1,0,0,0,0|2,0,0]=3 5203 B14R0.394 CCCCOCOCCCCOC(=O)C 34a_100000073216_100011995733 [0,1,0,0,0,0|3,0,0]=4 5204 B14R0.394 CCCCOCSCCCCCB(O)O 62a_100011995733_200009817188 [0,1,0,0,0,0|2,0,1]=4 5205 B14R0.394 CCCCOCSCCCCCB(O)O 62a_200009817188_100011995733 [0,1,0,0,0,0|2,0,1]=4 5206 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [0,1,0,0,0,0|2,0,0]=3 5207 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [0,1,0,0,0,0|2,0,0]=3 5208 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100000033659_100011995733 [0,1,0,0,0,0|3,0,0]=4 5209 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100011995733_100000033659 [0,1,0,0,0,0|3,0,0]=4 5210 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_100011995733_200010402107 [0,1,0,0,0,0|3,0,0]=4 5211 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_200010402107_100011995733 [0,1,0,0,0,0|3,0,0]=4 5212 B14R0.394 CCCCSCCNCCCCB(O)O 2230a_100025743550_200009817182 [0,1,0,0,0,0|2,0,1]=4 5213 B14R0.394 CCCCSCCNCCCSC(=O)C 2230a_100025743550_100000038929 [0,1,0,0,0,0|3,0,0]=4 5214 B14R0.394 CCCCSCCNCCOCC(=O)N 2230a_100025743550_100000076697 [0,1,0,0,0,0|3,0,0]=4 5215 B14R0.394 CCCCSCCOCCCCB(O)O 34a_200000230436_200009817182 [0,1,0,0,0,0|2,0,1]=4 5216 B14R0.394 CCCCSCCOCCCCB(O)O 7a_200000230436_200009817182 [0,1,0,0,0,0|2,0,1]=4 5217 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [0,1,0,0,0,0|2,0,0]=3 5218 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [0,1,0,0,0,0|2,0,0]=3 5219 B14R0.394 CCCCSCCOCCCOC(=O)C 34a_200000230436_100000042594 [0,1,0,0,0,0|3,0,0]=4 5220 B14R0.394 CCCCSCCOCCCOC(=O)C 7a_200000230436_100000042594 [0,1,0,0,0,0|3,0,0]=4 5221 B14R0.394 CCCCSCCOCCCSC(=O)C 34a_200000230436_100000038929 [0,1,0,0,0,0|3,0,0]=4 5222 B14R0.394 CCCCSCCOCCCSC(=O)C 7a_200000230436_100000038929 [0,1,0,0,0,0|3,0,0]=4 5223 B14R0.394 CCCCSCCOCCOCC(=O)N 34a_200000230436_100000076697 [0,1,0,0,0,0|3,0,0]=4 5224 B14R0.394 CCCCSCCOCCOCC(=O)N 7a_200000230436_100000076697 [0,1,0,0,0,0|3,0,0]=4 5225 B14R0.394 CCCOCCCNCCCCB(O)O 2230a_100011217757_200009817182 [0,1,0,0,0,0|2,0,1]=4 5226 B14R0.394 CCCOCCCNCCCCB(O)O 34a_100011217757_200009817182 [0,1,0,0,0,0|2,0,1]=4 5227 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [0,1,0,0,0,0|2,0,0]=3 5228 B14R0.394 CCCOCCCNCCCOC(=O)C 34a_100011217757_100000042594 [0,1,0,0,0,0|3,0,0]=4 5229 B14R0.394 CCCOCCCNCCCSC(=O)C 2230a_100011217757_100000038929 [0,1,0,0,0,0|3,0,0]=4 5230 B14R0.394 CCCOCCCNCCCSC(=O)C 34a_100011217757_100000038929 [0,1,0,0,0,0|3,0,0]=4 5231 B14R0.394 CCCOCCCNCCOCC(=O)N 2230a_100011217757_100000076697 [0,1,0,0,0,0|3,0,0]=4 5232 B14R0.394 CCCOCCCNCCOCC(=O)N 34a_100011217757_100000076697 [0,1,0,0,0,0|3,0,0]=4 5233 B14R0.394 CCCOCCNCCCCCB(O)O 2230a_100161115042_200009817188 [0,1,0,0,0,0|2,0,1]=4 5234 B14R0.394 CCCOCCNCCCCCB(O)O 34a_100161115042_200009817188 [0,1,0,0,0,0|2,0,1]=4 5235 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [0,1,0,0,0,0|2,0,0]=3 5236 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [0,1,0,0,0,0|2,0,0]=3 5237 B14R0.394 CCCOCCNCCCCNC(=O)C 2230a_200011368371_100011215938 [0,1,0,0,0,0|3,0,0]=4 5238 B14R0.394 CCCOCCNCCCCNC(=O)C 34a_200011368371_100011215938 [0,1,0,0,0,0|3,0,0]=4 5239 B14R0.394 CCCOCCNCCCCOC(=O)C 34a_100161115042_100000033659 [0,1,0,0,0,0|3,0,0]=4 5240 B14R0.394 CCCOCCNCCCCSC(=O)C 2230a_100161115042_200010402107 [0,1,0,0,0,0|3,0,0]=4 5241 B14R0.394 CCCOCCNCCCCSC(=O)C 34a_100161115042_200010402107 [0,1,0,0,0,0|3,0,0]=4 5242 B14R0.394 CCCOCCOCCCCCB(O)O 34a_100000752267_200009817188 [0,1,0,0,0,0|2,0,1]=4 5243 B14R0.394 CCCOCCOCCCCCB(O)O 7a_100000752267_200009817188 [0,1,0,0,0,0|2,0,1]=4 5244 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [0,1,0,0,0,0|2,0,0]=3 5245 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [0,1,0,0,0,0|2,0,0]=3 5246 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [0,1,0,0,0,0|2,0,0]=3 5247 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [0,1,0,0,0,0|2,0,0]=3 5248 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [0,1,0,0,0,0|1,0,1]=3 5249 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000073216_100011215938 [0,1,0,0,0,0|3,0,0]=4 5250 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000752267_100000033659 [0,1,0,0,0,0|3,0,0]=4 5251 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000073216_100011215938 [0,1,0,0,0,0|3,0,0]=4 5252 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000752267_100000033659 [0,1,0,0,0,0|3,0,0]=4 5253 B14R0.394 CCCOCCOCCCCSC(=O)C 34a_100000752267_200010402107 [0,1,0,0,0,0|3,0,0]=4 5254 B14R0.394 CCCOCCOCCCCSC(=O)C 7a_100000752267_200010402107 [0,1,0,0,0,0|3,0,0]=4 5255 B14R0.394 CCCOCCOCCNCCC(=O)N 2230a_200011904461_100000744528 [0,1,0,0,0,0|3,0,0]=4 5256 B14R0.394 CCCOCCOCCNCCC(=O)N 34a_200011904461_100000731001 [0,1,0,0,0,0|3,0,0]=4 5257 B14R0.394 CCCOCCSCCCCCB(O)O 62a_100011215938_200009817188 [0,1,0,0,0,0|2,0,1]=4 5258 B14R0.394 CCCOCCSCCCCCB(O)O 62a_200009817188_100011215938 [0,1,0,0,0,0|2,0,1]=4 5259 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [0,1,0,0,0,0|2,0,0]=3 5260 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [0,1,0,0,0,0|2,0,0]=3 5261 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100000033659_100011215938 [0,1,0,0,0,0|3,0,0]=4 5262 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100011215938_100000033659 [0,1,0,0,0,0|3,0,0]=4 5263 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_100011215938_200010402107 [0,1,0,0,0,0|3,0,0]=4 5264 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_200010402107_100011215938 [0,1,0,0,0,0|3,0,0]=4 5265 B14R0.394 CCCSCCNCCCCCB(O)O 2230a_100020603323_200009817188 [0,1,0,0,0,0|2,0,1]=4 5266 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [0,1,0,0,0,0|2,0,0]=3 5267 B14R0.394 CCCSCCNCCCCSC(=O)C 2230a_100020603323_200010402107 [0,1,0,0,0,0|3,0,0]=4 5268 B14R0.394 CCCSCCOCCCCCB(O)O 34a_200000230433_200009817188 [0,1,0,0,0,0|2,0,1]=4 5269 B14R0.394 CCCSCCOCCCCCB(O)O 7a_200000230433_200009817188 [0,1,0,0,0,0|2,0,1]=4 5270 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [0,1,0,0,0,0|2,0,0]=3 5271 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [0,1,0,0,0,0|2,0,0]=3 5272 B14R0.394 CCCSCCOCCCCOC(=O)C 34a_200000230433_100000033659 [0,1,0,0,0,0|3,0,0]=4 5273 B14R0.394 CCCSCCOCCCCOC(=O)C 7a_200000230433_100000033659 [0,1,0,0,0,0|3,0,0]=4 5274 B14R0.394 CCCSCCOCCCCSC(=O)C 34a_200000230433_200010402107 [0,1,0,0,0,0|3,0,0]=4 5275 B14R0.394 CCCSCCOCCCCSC(=O)C 7a_200000230433_200010402107 [0,1,0,0,0,0|3,0,0]=4 5276 B14R0.394 CCOCCCNCCCCCB(O)O 2230a_100000210961_200009817188 [0,1,0,0,0,0|2,0,1]=4 5277 B14R0.394 CCOCCCNCCCCCB(O)O 34a_100000210961_200009817188 [0,1,0,0,0,0|2,0,1]=4 5278 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [0,1,0,0,0,0|2,0,0]=3 5279 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [0,1,0,0,0,0|2,0,0]=3 5280 B14R0.394 CCOCCCNCCCCNC(=O)C 2230a_200011368371_100012232248 [0,1,0,0,0,0|3,0,0]=4 5281 B14R0.394 CCOCCCNCCCCNC(=O)C 34a_200011368371_100012232248 [0,1,0,0,0,0|3,0,0]=4 5282 B14R0.394 CCOCCCNCCCCOC(=O)C 34a_100000210961_100000033659 [0,1,0,0,0,0|3,0,0]=4 5283 B14R0.394 CCOCCCNCCCCSC(=O)C 2230a_100000210961_200010402107 [0,1,0,0,0,0|3,0,0]=4 5284 B14R0.394 CCOCCCNCCCCSC(=O)C 34a_100000210961_200010402107 [0,1,0,0,0,0|3,0,0]=4 5285 B14R0.394 CCOCCCOCCCCCB(O)O 34a_100000757476_200009817188 [0,1,0,0,0,0|2,0,1]=4 5286 B14R0.394 CCOCCCOCCCCCB(O)O 7a_100000757476_200009817188 [0,1,0,0,0,0|2,0,1]=4 5287 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [0,1,0,0,0,0|2,0,0]=3 5288 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [0,1,0,0,0,0|2,0,0]=3 5289 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [0,1,0,0,0,0|2,0,0]=3 5290 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [0,1,0,0,0,0|2,0,0]=3 5291 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [0,1,0,0,0,0|1,0,1]=3 5292 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000073216_100012232248 [0,1,0,0,0,0|3,0,0]=4 5293 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000757476_100000033659 [0,1,0,0,0,0|3,0,0]=4 5294 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000073216_100012232248 [0,1,0,0,0,0|3,0,0]=4 5295 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000757476_100000033659 [0,1,0,0,0,0|3,0,0]=4 5296 B14R0.394 CCOCCCOCCCCSC(=O)C 34a_100000757476_200010402107 [0,1,0,0,0,0|3,0,0]=4 5297 B14R0.394 CCOCCCOCCCCSC(=O)C 7a_100000757476_200010402107 [0,1,0,0,0,0|3,0,0]=4 5298 B14R0.394 CCOCCCSCCCCCB(O)O 62a_100012232248_200009817188 [0,1,0,0,0,0|2,0,1]=4 5299 B14R0.394 CCOCCCSCCCCCB(O)O 62a_200009817188_100012232248 [0,1,0,0,0,0|2,0,1]=4 5300 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [0,1,0,0,0,0|2,0,0]=3 5301 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [0,1,0,0,0,0|2,0,0]=3 5302 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100000033659_100012232248 [0,1,0,0,0,0|3,0,0]=4 5303 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100012232248_100000033659 [0,1,0,0,0,0|3,0,0]=4 5304 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_100012232248_200010402107 [0,1,0,0,0,0|3,0,0]=4 5305 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_200010402107_100012232248 [0,1,0,0,0,0|3,0,0]=4 5306 B14R0.394 CCOCCNCCCCCCB(O)O 2230a_102516460346_100009817187 [0,1,0,0,0,0|2,0,1]=4 5307 B14R0.394 CCOCCNCCCCCCB(O)O 34a_102516460346_100009817187 [0,1,0,0,0,0|2,0,1]=4 5308 B14R0.394 CCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215890 [0,1,0,0,0,0|3,0,0]=4 5309 B14R0.394 CCOCCNCCCCCNC(=O)C 34a_200012022750_100000210147 [0,1,0,0,0,0|3,0,0]=4 5310 B14R0.394 CCOCCNCCCCCOC(=O)C 2230a_102516460346_100009813381 [0,1,0,0,0,0|3,0,0]=4 5311 B14R0.394 CCOCCNCCCCCOC(=O)C 34a_102516460346_100000033007 [0,1,0,0,0,0|3,0,0]=4 5312 B14R0.394 CCOCCOCCCCCCB(O)O 34a_100000210136_100009817187 [0,1,0,0,0,0|2,0,1]=4 5313 B14R0.394 CCOCCOCCCCCCB(O)O 7a_100000210136_100009817187 [0,1,0,0,0,0|2,0,1]=4 5314 B14R0.394 CCOCCOCCCCCOC(=O)C 34a_100000210136_100000033007 [0,1,0,0,0,0|3,0,0]=4 5315 B14R0.394 CCOCCOCCCCCOC(=O)C 7a_100000210136_100000033007 [0,1,0,0,0,0|3,0,0]=4 5316 B14R0.394 CCOCCOCCNCCCC(=O)C 34a_100102712874_100000685027 [0,1,0,0,0,0|3,0,0]=4 5317 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100000739312_100011211534 [0,1,0,0,0,0|3,0,0]=4 5318 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100102712874_100102525003 [0,1,0,0,0,0|3,0,0]=4 5319 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000210240_100000685027 [0,1,0,0,0,0|3,0,0]=4 5320 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000759063_100011211534 [0,1,0,0,0,0|3,0,0]=4 5321 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000210240_100011215641 [0,1,0,0,0,0|3,0,0]=4 5322 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000759063_100011211534 [0,1,0,0,0,0|3,0,0]=4 5323 B14R0.394 CCOCCOCCOCCCC(=O)N 34a_100000210240_100102525003 [0,1,0,0,0,0|3,0,0]=4 5324 B14R0.394 CCOCCOCCOCCCC(=O)N 7a_100000210240_100102525003 [0,1,0,0,0,0|3,0,0]=4 5325 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011211534_100011215641 [0,1,0,0,0,0|3,0,0]=4 5326 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011215641_100011211534 [0,1,0,0,0,0|3,0,0]=4 5327 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100011211534_100102525003 [0,1,0,0,0,0|3,0,0]=4 5328 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100102525003_100011211534 [0,1,0,0,0,0|3,0,0]=4 5329 B14R0.394 CCOCCSCCCCCCB(O)O 62a_100000210147_100009817187 [0,1,0,0,0,0|2,0,1]=4 5330 B14R0.394 CCOCCSCCCCCCB(O)O 62a_100009817187_100011215890 [0,1,0,0,0,0|2,0,1]=4 5331 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000033007_100011215890 [0,1,0,0,0,0|3,0,0]=4 5332 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000210147_100000033007 [0,1,0,0,0,0|3,0,0]=4 5333 B14R0.394 CCOCNCCOCCOCC(=O)O 269956a_100009854275_100000739092 [0,1,0,0,0,0|3,0,0]=4 5334 B14R0.394 CCSCCCOCCCCCB(O)O 34a_100011216438_200009817188 [0,1,0,0,0,0|2,0,1]=4 5335 B14R0.394 CCSCCCOCCCCCB(O)O 7a_100011216438_200009817188 [0,1,0,0,0,0|2,0,1]=4 5336 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [0,1,0,0,0,0|2,0,0]=3 5337 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [0,1,0,0,0,0|2,0,0]=3 5338 B14R0.394 CCSCCCOCCCCOC(=O)C 34a_100011216438_100000033659 [0,1,0,0,0,0|3,0,0]=4 5339 B14R0.394 CCSCCCOCCCCOC(=O)C 7a_100011216438_100000033659 [0,1,0,0,0,0|3,0,0]=4 5340 B14R0.394 CCSCCCOCCCCSC(=O)C 34a_100011216438_200010402107 [0,1,0,0,0,0|3,0,0]=4 5341 B14R0.394 CCSCCCOCCCCSC(=O)C 7a_100011216438_200010402107 [0,1,0,0,0,0|3,0,0]=4 5342 B14R0.394 CCSCCNCCCCCCB(O)O 2230a_100000106463_100009817187 [0,1,0,0,0,0|2,0,1]=4 5343 B14R0.394 CCSCCNCCCCCNC(=O)C 2230a_200012022750_100000757381 [0,1,0,0,0,0|3,0,0]=4 5344 B14R0.394 CCSCCNCCCCCNC(=O)C 34a_200012022750_100000757381 [0,1,0,0,0,0|3,0,0]=4 5345 B14R0.394 CCSCCNCCCCCOC(=O)C 2230a_100000106463_100009813381 [0,1,0,0,0,0|3,0,0]=4 5346 B14R0.394 CCSCCOCCCCCCB(O)O 34a_100000212035_100009817187 [0,1,0,0,0,0|2,0,1]=4 5347 B14R0.394 CCSCCOCCCCCCB(O)O 7a_100000212035_100009817187 [0,1,0,0,0,0|2,0,1]=4 5348 B14R0.394 CCSCCOCCCCCOC(=O)C 34a_100000212035_100000033007 [0,1,0,0,0,0|3,0,0]=4 5349 B14R0.394 CCSCCOCCCCCOC(=O)C 7a_100000212035_100000033007 [0,1,0,0,0,0|3,0,0]=4 5350 B14R0.394 CCSCCSCCCCCCB(O)O 62a_100000757381_100009817187 [0,1,0,0,0,0|2,0,1]=4 5351 B14R0.394 CCSCCSCCCCCCB(O)O 62a_100009817187_100000757381 [0,1,0,0,0,0|2,0,1]=4 5352 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000033007_100000757381 [0,1,0,0,0,0|3,0,0]=4 5353 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000757381_100000033007 [0,1,0,0,0,0|3,0,0]=4 5354 B14R0.394 CN(C)CCCCCCCCCCCO 2230a_100102631434_100009812471 [0,1,0,0,0,0|3,0,0]=4 5355 B14R0.394 CN(C)CCCCCCCCCCCO 269982a_100102631434_100009812471 [0,1,0,0,0,0|3,0,0]=4 5356 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [0,1,0,0,0,0|1,0,0]=2 5357 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [0,1,0,0,0,0|1,0,0]=2 5358 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [0,1,0,0,0,0|1,0,0]=2 5359 B14R0.394 CNCCCCCOCCCCB(O)O 34a_100000722520_200009817182 [0,1,0,0,0,0|2,0,1]=4 5360 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [0,1,0,0,0,0|2,0,0]=3 5361 B14R0.394 CNCCCCCOCCCOC(=O)C 34a_100000722520_100000042594 [0,1,0,0,0,0|3,0,0]=4 5362 B14R0.394 CNCCCCCOCCCSC(=O)C 34a_100000722520_100000038929 [0,1,0,0,0,0|3,0,0]=4 5363 B14R0.394 CNCCCCCOCCOCC(=O)N 34a_100000722520_100000076697 [0,1,0,0,0,0|3,0,0]=4 5364 B14R0.394 CNCCCOCCCCCCB(O)O 34a_100000213112_100009817187 [0,1,0,0,0,0|2,0,1]=4 5365 B14R0.394 CNCCCOCCCCCOC(=O)C 34a_100000213112_100000033007 [0,1,0,0,0,0|3,0,0]=4 5366 B14R0.394 CNCCOCCOCCCCC(=O)C 34a_100000228057_100009817362 [0,1,0,0,0,0|3,0,0]=4 5367 B14R0.394 CNCCOCCOCCOCC(=O)O 269956a_100010423269_200000210301 [0,1,0,0,0,0|3,0,0]=4 5368 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [0,1,0,0,0,0|1,0,0]=2 5369 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [0,1,0,0,0,0|2,0,0]=3 5370 B14R0.394 COCCCCCCNCCCS(=O)C 2230a_200000753449_100011998445 [0,1,0,0,0,0|3,0,0]=4 5371 B14R0.394 COCCCCCCNCCNC(=O)C 2230a_100000209853_100011998445 [0,1,0,0,0,0|3,0,0]=4 5372 B14R0.394 COCCCCCCNCCNC(=O)N 34a_100020590234_100011998445 [0,1,0,0,0,0|3,0,0]=4 5373 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [0,1,0,0,0,0|2,0,0]=3 5374 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [0,1,0,0,0,0|2,0,0]=3 5375 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [0,1,0,0,0,0|2,0,0]=3 5376 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [0,1,0,0,0,0|2,0,0]=3 5377 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [0,1,0,0,0,0|2,0,0]=3 5378 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [0,1,0,0,0,0|2,0,0]=3 5379 B14R0.394 COCCCCCCOCCCC(C)O 34a_200012092642_200000718107 [0,1,0,0,0,0|2,0,1]=4 5380 B14R0.394 COCCCCCCOCCCC(C)O 7a_200012092642_200000718107 [0,1,0,0,0,0|2,0,1]=4 5381 B14R0.394 COCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011998445 [0,1,0,0,0,0|2,0,1]=4 5382 B14R0.394 COCCCCCCOCCNC(=O)C 34a_100000158858_100011998445 [0,1,0,0,0,0|3,0,0]=4 5383 B14R0.394 COCCCCCCOCCNC(=O)C 7a_200012092642_100000189650 [0,1,0,0,0,0|3,0,0]=4 5384 B14R0.394 COCCCCCCOCCNC(=O)N 34a_100000181757_100011998445 [0,1,0,0,0,0|3,0,0]=4 5385 B14R0.394 COCCCCCCOCCNC(=O)N 7a_200012092642_200000034859 [0,1,0,0,0,0|3,0,0]=4 5386 B14R0.394 COCCCCCCOCCOC(=O)C 34a_200012092642_100009814007 [0,1,0,0,0,0|3,0,0]=4 5387 B14R0.394 COCCCCCCOCCOC(=O)C 7a_200012092642_100009814007 [0,1,0,0,0,0|3,0,0]=4 5388 B14R0.394 COCCCCCCOCCOC(=O)N 34a_200012092642_200011214921 [0,1,0,0,0,0|3,0,0]=4 5389 B14R0.394 COCCCCCCOCCOC(=O)N 7a_100000766696_100011998445 [0,1,0,0,0,0|3,0,0]=4 5390 B14R0.394 COCCCCCCOCCOC(=O)N 7a_200012092642_200011214921 [0,1,0,0,0,0|3,0,0]=4 5391 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [0,1,0,0,0,0|2,0,0]=3 5392 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [0,1,0,0,0,0|2,0,0]=3 5393 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [0,1,0,0,0,0|2,0,0]=3 5394 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [0,1,0,0,0,0|2,0,0]=3 5395 B14R0.394 COCCCCCCSCCCC(C)O 62a_100011998445_200000718107 [0,1,0,0,0,0|2,0,1]=4 5396 B14R0.394 COCCCCCCSCCCC(C)O 62a_200000718107_100011998445 [0,1,0,0,0,0|2,0,1]=4 5397 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100000189650_100011998445 [0,1,0,0,0,0|3,0,0]=4 5398 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100011998445_100000189650 [0,1,0,0,0,0|3,0,0]=4 5399 B14R0.394 COCCCCCCSCCNC(=O)N 62a_100011998445_200000034859 [0,1,0,0,0,0|3,0,0]=4 5400 B14R0.394 COCCCCCCSCCNC(=O)N 62a_200000034859_100011998445 [0,1,0,0,0,0|3,0,0]=4 5401 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100009814007_100011998445 [0,1,0,0,0,0|3,0,0]=4 5402 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100011998445_100009814007 [0,1,0,0,0,0|3,0,0]=4 5403 B14R0.394 COCCCCCCSCCOC(=O)N 62a_100011998445_200011214921 [0,1,0,0,0,0|3,0,0]=4 5404 B14R0.394 COCCCCCCSCCOC(=O)N 62a_200011214921_100011998445 [0,1,0,0,0,0|3,0,0]=4 5405 B14R0.394 COCCCCCNCCCCB(O)O 2230a_100000747528_200009817182 [0,1,0,0,0,0|2,0,1]=4 5406 B14R0.394 COCCCCCNCCCCB(O)O 34a_100000747528_200009817182 [0,1,0,0,0,0|2,0,1]=4 5407 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [0,1,0,0,0,0|2,0,0]=3 5408 B14R0.394 COCCCCCNCCCOC(=O)C 34a_100000747528_100000042594 [0,1,0,0,0,0|3,0,0]=4 5409 B14R0.394 COCCCCCNCCCSC(=O)C 2230a_100000747528_100000038929 [0,1,0,0,0,0|3,0,0]=4 5410 B14R0.394 COCCCCCNCCCSC(=O)C 34a_100000747528_100000038929 [0,1,0,0,0,0|3,0,0]=4 5411 B14R0.394 COCCCCCNCCOCC(=O)N 2230a_100000747528_100000076697 [0,1,0,0,0,0|3,0,0]=4 5412 B14R0.394 COCCCCCNCCOCC(=O)N 34a_100000747528_100000076697 [0,1,0,0,0,0|3,0,0]=4 5413 B14R0.394 COCCCCNCCCCNC(=O)C 2230a_200011368371_100000730899 [0,1,0,0,0,0|3,0,0]=4 5414 B14R0.394 COCCCCNCCCCNC(=O)C 34a_200011368371_100000755781 [0,1,0,0,0,0|3,0,0]=4 5415 B14R0.394 COCCCCOCCCCCB(O)O 34a_100000740925_200009817188 [0,1,0,0,0,0|2,0,1]=4 5416 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [0,1,0,0,0,0|2,0,0]=3 5417 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [0,1,0,0,0,0|2,0,0]=3 5418 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [0,1,0,0,0,0|2,0,0]=3 5419 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [0,1,0,0,0,0|1,0,1]=3 5420 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000073216_100000755781 [0,1,0,0,0,0|3,0,0]=4 5421 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000740925_100000033659 [0,1,0,0,0,0|3,0,0]=4 5422 B14R0.394 COCCCCOCCCCOC(=O)C 7a_100000073216_100000730899 [0,1,0,0,0,0|3,0,0]=4 5423 B14R0.394 COCCCCOCCCCSC(=O)C 34a_100000740925_200010402107 [0,1,0,0,0,0|3,0,0]=4 5424 B14R0.394 COCCCCSCCCCCB(O)O 62a_100000730899_200009817188 [0,1,0,0,0,0|2,0,1]=4 5425 B14R0.394 COCCCCSCCCCCB(O)O 62a_200009817188_100000730899 [0,1,0,0,0,0|2,0,1]=4 5426 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [0,1,0,0,0,0|2,0,0]=3 5427 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [0,1,0,0,0,0|2,0,0]=3 5428 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000033659_100000730899 [0,1,0,0,0,0|3,0,0]=4 5429 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000730899_100000033659 [0,1,0,0,0,0|3,0,0]=4 5430 B14R0.394 COCCCCSCCCCSC(=O)C 62a_100000730899_200010402107 [0,1,0,0,0,0|3,0,0]=4 5431 B14R0.394 COCCCCSCCCCSC(=O)C 62a_200010402107_100000730899 [0,1,0,0,0,0|3,0,0]=4 5432 B14R0.394 COCCCNCCCCCCB(O)O 34a_100150723488_100009817187 [0,1,0,0,0,0|2,0,1]=4 5433 B14R0.394 COCCCNCCCCCNC(=O)C 2230a_200012022750_100000740836 [0,1,0,0,0,0|3,0,0]=4 5434 B14R0.394 COCCCNCCCCCNC(=O)C 34a_200012022750_100000740836 [0,1,0,0,0,0|3,0,0]=4 5435 B14R0.394 COCCCNCCCCCOC(=O)C 34a_100150723488_100000033007 [0,1,0,0,0,0|3,0,0]=4 5436 B14R0.394 COCCCOCCCCCCB(O)O 34a_100000740835_100009817187 [0,1,0,0,0,0|2,0,1]=4 5437 B14R0.394 COCCCOCCCCCOC(=O)C 34a_100000740835_100000033007 [0,1,0,0,0,0|3,0,0]=4 5438 B14R0.394 COCCCOCCCOCCC(=O)C 7a_200011215475_100000053229 [0,1,0,0,0,0|3,0,0]=4 5439 B14R0.394 COCCCOCCCOCCC(=O)N 34a_200011215475_100000731001 [0,1,0,0,0,0|3,0,0]=4 5440 B14R0.394 COCCCOCCCOCCC(=O)N 7a_200011215475_100000744528 [0,1,0,0,0,0|3,0,0]=4 5441 B14R0.394 COCCCSCCCCCCB(O)O 62a_100000709357_100009817187 [0,1,0,0,0,0|2,0,1]=4 5442 B14R0.394 COCCCSCCCCCCB(O)O 62a_100009817187_100000709357 [0,1,0,0,0,0|2,0,1]=4 5443 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000033007_100000709357 [0,1,0,0,0,0|3,0,0]=4 5444 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000709357_100000033007 [0,1,0,0,0,0|3,0,0]=4 5445 B14R0.394 COCCNCCCCCCNC(=O)C 2230a_200011996284_100011201679 [0,1,0,0,0,0|3,0,0]=4 5446 B14R0.394 COCCNCCCCCCNC(=O)C 34a_200011996284_100011201679 [0,1,0,0,0,0|3,0,0]=4 5447 B14R0.394 COCCNCCOCCOCC(=O)O 269956a_100009854275_100000233755 [0,1,0,0,0,0|3,0,0]=4 5448 B14R0.394 COCCOCCCNCCCC(=O)C 34a_100000206027_100000685027 [0,1,0,0,0,0|3,0,0]=4 5449 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000206027_100102525003 [0,1,0,0,0,0|3,0,0]=4 5450 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000739312_100011216529 [0,1,0,0,0,0|3,0,0]=4 5451 B14R0.394 COCCOCCCOCCCC(=O)C 34a_100000759063_100011216529 [0,1,0,0,0,0|3,0,0]=4 5452 B14R0.394 COCCOCCCOCCCC(=O)C 7a_100000759063_100011216529 [0,1,0,0,0,0|3,0,0]=4 5453 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011215641_100011216529 [0,1,0,0,0,0|3,0,0]=4 5454 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011216529_100011215641 [0,1,0,0,0,0|3,0,0]=4 5455 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100011216529_100102525003 [0,1,0,0,0,0|3,0,0]=4 5456 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100102525003_100011216529 [0,1,0,0,0,0|3,0,0]=4 5457 B14R0.394 COCCOCCNCCCCC(=O)C 34a_100000745349_100009817362 [0,1,0,0,0,0|3,0,0]=4 5458 B14R0.394 COCCOCCNCCCCC(=O)N 34a_100000696515_100000695917 [0,1,0,0,0,0|3,0,0]=4 5459 B14R0.394 COCCOCCNCCOCC(=O)O 269956a_100000700818_100000695917 [0,1,0,0,0,0|3,0,0]=4 5460 B14R0.394 COCCOCCOCCCCC(=O)C 34a_100011215163_100009817362 [0,1,0,0,0,0|3,0,0]=4 5461 B14R0.394 COCCOCCOCCCCC(=O)C 7a_100011215163_100000735457 [0,1,0,0,0,0|3,0,0]=4 5462 B14R0.394 COCCOCCOCCCCC(=O)N 34a_100012022536_100000695917 [0,1,0,0,0,0|3,0,0]=4 5463 B14R0.394 COCCOCCOCCCCC(=O)N 7a_100012022536_100000695917 [0,1,0,0,0,0|3,0,0]=4 5464 B14R0.394 COCCOCCOCCNCC(=O)O 269956a_100016091260_100013367474 [0,1,0,0,0,0|3,0,0]=4 5465 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000695917_100000735457 [0,1,0,0,0,0|3,0,0]=4 5466 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000735457_100000695917 [0,1,0,0,0,0|3,0,0]=4 5467 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100000231047_100009817443 [0,1,0,0,0,0|3,0,0]=4 5468 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100009817443_100000231047 [0,1,0,0,0,0|3,0,0]=4 5469 B14R0.394 CS(=O)CCCNCCCCCCCO 2230a_200000753449_100000760002 [0,1,0,0,0,0|3,0,0]=4 5470 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [0,1,0,0,0,0|1,0,0]=2 5471 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [0,1,0,0,0,0|1,0,0]=2 5472 B14R0.394 CSCCCCOCCCCCB(O)O 34a_100011217163_200009817188 [0,1,0,0,0,0|2,0,1]=4 5473 B14R0.394 CSCCCCOCCCCCB(O)O 7a_100011217163_200009817188 [0,1,0,0,0,0|2,0,1]=4 5474 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [0,1,0,0,0,0|2,0,0]=3 5475 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [0,1,0,0,0,0|2,0,0]=3 5476 B14R0.394 CSCCCCOCCCCOC(=O)C 34a_100011217163_100000033659 [0,1,0,0,0,0|3,0,0]=4 5477 B14R0.394 CSCCCCOCCCCOC(=O)C 7a_100011217163_100000033659 [0,1,0,0,0,0|3,0,0]=4 5478 B14R0.394 CSCCCCOCCCCSC(=O)C 34a_100011217163_200010402107 [0,1,0,0,0,0|3,0,0]=4 5479 B14R0.394 CSCCCCOCCCCSC(=O)C 7a_100011217163_200010402107 [0,1,0,0,0,0|3,0,0]=4 5480 B14R0.394 CSCCCNCCCCCCB(O)O 2230a_100000749238_100009817187 [0,1,0,0,0,0|2,0,1]=4 5481 B14R0.394 CSCCCNCCCCCOC(=O)C 2230a_100000749238_100009813381 [0,1,0,0,0,0|3,0,0]=4 5482 B14R0.394 CSCCCOCCCCCCB(O)O 34a_100000690336_100009817187 [0,1,0,0,0,0|2,0,1]=4 5483 B14R0.394 CSCCCOCCCCCCB(O)O 7a_100000690336_100009817187 [0,1,0,0,0,0|2,0,1]=4 5484 B14R0.394 CSCCCOCCCCCOC(=O)C 34a_100000690336_100000033007 [0,1,0,0,0,0|3,0,0]=4 5485 B14R0.394 CSCCCOCCCCCOC(=O)C 7a_100000690336_100000033007 [0,1,0,0,0,0|3,0,0]=4 5486 B14R0.394 CSCCNCCCCCCNC(=O)C 2230a_200011996284_100000751147 [0,1,0,0,0,0|3,0,0]=4 5487 B14R0.394 CSCCNCCCCCCNC(=O)C 34a_200011996284_100000212216 [0,1,0,0,0,0|3,0,0]=4 5488 B14R0.394 CSCCNCCOCCOCC(=O)O 269956a_100009854275_100000212216 [0,1,0,0,0,0|3,0,0]=4 5489 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 2230a_100000078944_100009817552 [0,1,0,0,0,0|2,0,1]=4 5490 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 34a_100000078944_100009817552 [0,1,0,0,0,0|2,0,1]=4 5491 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 34a_100009813782_100009817552 [0,1,0,0,0,0|2,0,1]=4 5492 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 7a_100009813782_100009817552 [0,1,0,0,0,0|2,0,1]=4 5493 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 34a_100009868337_100009817552 [0,1,0,0,0,0|2,0,1]=4 5494 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 7a_100009868337_100009817552 [0,1,0,0,0,0|2,0,1]=4 5495 B14R0.394 C[C@@H](O)COCCCCCCCCCN 34a_100000078944_100009817552 [0,1,0,0,0,0|2,0,1]=4 5496 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009813782_100009817552 [0,1,0,0,0,0|2,0,1]=4 5497 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009817552_100009813782 [0,1,0,0,0,0|2,0,1]=4 5498 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100009813337_100102525003 [0,1,0,0,0,0|2,0,1]=4 5499 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100102525003_100009813337 [0,1,0,0,0,0|2,0,1]=4 5500 B14R0.394 N#CCCCCCNCCOCC(=O)O 269956a_100000700818_100009813376 [0,1,0,0,0,0|2,0,1]=4 5501 B14R0.394 N#CCCCCCOCCCCC(=O)N 7a_100012022536_100009813376 [0,1,0,0,0,0|2,0,1]=4 5502 B14R0.394 N#CCCCCOCCCCCC(=O)N 7a_100000123541_100000211819 [0,1,0,0,0,0|2,0,1]=4 5503 B14R0.394 N#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000211819 [0,1,0,0,0,0|1,0,2]=4 5504 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100009817443_100000211819 [0,1,0,0,0,0|2,0,1]=4 5505 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100011219923_100009817443 [0,1,0,0,0,0|2,0,1]=4 5506 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [0,1,0,0,0,0|2,0,0]=3 5507 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [0,1,0,0,0,0|2,0,0]=3 5508 B14R0.394 NC(=O)CCCCCNCCOCCO 2230a_100000211614_100009817443 [0,1,0,0,0,0|3,0,0]=4 5509 B14R0.394 NC(=O)CCCCCNCCOCCO 34a_100000211614_100009817443 [0,1,0,0,0,0|3,0,0]=4 5510 B14R0.394 NC(=O)CCCCCNCCSCCO 2230a_100011219999_100009817443 [0,1,0,0,0,0|3,0,0]=4 5511 B14R0.394 NC(=O)CCCCCOCCCCC=O 7a_100000123541_100000139335 [0,1,0,0,0,0|2,0,1]=4 5512 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [0,1,0,0,0,0|2,0,0]=3 5513 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [0,1,0,0,0,0|2,0,0]=3 5514 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [0,1,0,0,0,0|2,0,0]=3 5515 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [0,1,0,0,0,0|2,0,0]=3 5516 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [0,1,0,0,0,0|2,0,0]=3 5517 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [0,1,0,0,0,0|2,0,0]=3 5518 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [0,1,0,0,0,0|2,0,0]=3 5519 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [0,1,0,0,0,0|2,0,0]=3 5520 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [0,1,0,0,0,0|2,0,0]=3 5521 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [0,1,0,0,0,0|2,0,0]=3 5522 B14R0.394 NC(=O)CCCCCOCCOCCBr 34a_100000692535_100009817443 [0,1,0,0,0,0|3,0,0]=4 5523 B14R0.394 NC(=O)CCCCCOCCOCCBr 7a_100000692535_100009817443 [0,1,0,0,0,0|3,0,0]=4 5524 B14R0.394 NC(=O)CCCCCOCCOCCCl 34a_100011215305_100009817443 [0,1,0,0,0,0|3,0,0]=4 5525 B14R0.394 NC(=O)CCCCCOCCOCCCl 7a_100011215305_100009817443 [0,1,0,0,0,0|3,0,0]=4 5526 B14R0.394 NC(=O)CCCCCOCCOCCF 34a_200015357709_100009817443 [0,1,0,0,0,0|3,0,0]=4 5527 B14R0.394 NC(=O)CCCCCOCCOCCF 7a_200015357709_100009817443 [0,1,0,0,0,0|3,0,0]=4 5528 B14R0.394 NC(=O)CCCCCOCCOCCI 34a_100012149058_100009817443 [0,1,0,0,0,0|3,0,0]=4 5529 B14R0.394 NC(=O)CCCCCOCCOCCI 7a_100012149058_100009817443 [0,1,0,0,0,0|3,0,0]=4 5530 B14R0.394 NC(=O)CCCCCOCCOCCO 34a_100000123541_100000692535 [0,1,0,0,0,0|3,0,0]=4 5531 B14R0.394 NC(=O)CCCCCOCCOCCO 7a_100000123541_100011215305 [0,1,0,0,0,0|3,0,0]=4 5532 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100000139335_100009817443 [0,1,0,0,0,0|2,0,1]=4 5533 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100009817443_100000139335 [0,1,0,0,0,0|2,0,1]=4 5534 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [0,1,0,0,0,0|2,0,0]=3 5535 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [0,1,0,0,0,0|2,0,0]=3 5536 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [0,1,0,0,0,0|2,0,0]=3 5537 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [0,1,0,0,0,0|2,0,0]=3 5538 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100009817443_100011215305 [0,1,0,0,0,0|3,0,0]=4 5539 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100011215305_100009817443 [0,1,0,0,0,0|3,0,0]=4 5540 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [0,1,0,0,0,0|2,0,0]=3 5541 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [0,1,0,0,0,0|2,0,0]=3 5542 B14R0.394 NC(=O)CCCCOCCCCCC=O 7a_100012022536_100000139337 [0,1,0,0,0,0|2,0,1]=4 5543 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [0,1,0,0,0,0|2,0,0]=3 5544 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [0,1,0,0,0,0|2,0,0]=3 5545 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [0,1,0,0,0,0|2,0,0]=3 5546 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [0,1,0,0,0,0|2,0,0]=3 5547 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [0,1,0,0,0,0|2,0,0]=3 5548 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [0,1,0,0,0,0|2,0,0]=3 5549 B14R0.394 NC(=O)CCCNCCCOCCCO 34a_100011310245_100102525003 [0,1,0,0,0,0|3,0,0]=4 5550 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [0,1,0,0,0,0|2,0,0]=3 5551 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [0,1,0,0,0,0|2,0,0]=3 5552 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [0,1,0,0,0,0|2,0,0]=3 5553 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [0,1,0,0,0,0|2,0,0]=3 5554 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [0,1,0,0,0,0|2,0,0]=3 5555 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [0,1,0,0,0,0|2,0,0]=3 5556 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [0,1,0,0,0,0|2,0,0]=3 5557 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [0,1,0,0,0,0|2,0,0]=3 5558 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [0,1,0,0,0,0|2,0,0]=3 5559 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [0,1,0,0,0,0|2,0,0]=3 5560 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [0,1,0,0,0,0|2,0,0]=3 5561 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [0,1,0,0,0,0|2,0,0]=3 5562 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [0,1,0,0,0,0|2,0,0]=3 5563 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [0,1,0,0,0,0|2,0,0]=3 5564 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [0,1,0,0,0,0|2,0,0]=3 5565 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [0,1,0,0,0,0|2,0,0]=3 5566 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [0,1,0,0,0,0|2,0,0]=3 5567 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [0,1,0,0,0,0|2,0,0]=3 5568 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [0,1,0,0,0,0|2,0,0]=3 5569 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [0,1,0,0,0,0|2,0,0]=3 5570 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [0,1,0,0,0,0|2,0,0]=3 5571 B14R0.394 NC(=O)COCCNCCCCCCO 2230a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 5572 B14R0.394 NC(=O)COCCNCCCCCCO 34a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 5573 B14R0.394 NC(=O)COCCOCCCCCCBr 34a_100011215345_100000076697 [0,1,0,0,0,0|3,0,0]=4 5574 B14R0.394 NC(=O)COCCOCCCCCCBr 7a_100011215345_100000076697 [0,1,0,0,0,0|3,0,0]=4 5575 B14R0.394 NC(=O)COCCOCCCCCCCl 34a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 5576 B14R0.394 NC(=O)COCCOCCCCCCCl 7a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 5577 B14R0.394 NC(=O)COCCOCCCCCCF 34a_100000732779_100000076697 [0,1,0,0,0,0|3,0,0]=4 5578 B14R0.394 NC(=O)COCCOCCCCCCF 7a_100000732779_100000076697 [0,1,0,0,0,0|3,0,0]=4 5579 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100000076697_100015922095 [0,1,0,0,0,0|3,0,0]=4 5580 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100015922095_100000076697 [0,1,0,0,0,0|3,0,0]=4 5581 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000076697_100000766143 [0,1,0,0,0,0|3,0,0]=4 5582 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 5583 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [0,1,0,0,0,0|2,0,0]=3 5584 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [0,1,0,0,0,0|2,0,0]=3 5585 B14R0.394 NC(=O)NCCNCCCCCCCO 2230a_100011996573_200000034859 [0,1,0,0,0,0|3,0,0]=4 5586 B14R0.394 NC(=O)NCCNCCCCCCCO 34a_100020590234_100000760002 [0,1,0,0,0,0|3,0,0]=4 5587 B14R0.394 NC(=O)NCCOCCCCCCCBr 7a_100000760002_200000034859 [0,1,0,0,0,0|3,0,0]=4 5588 B14R0.394 NC(=O)NCCOCCCCCCCO 34a_100000181757_100000760002 [0,1,0,0,0,0|3,0,0]=4 5589 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_100000760002_200000034859 [0,1,0,0,0,0|3,0,0]=4 5590 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_200000034859_100000760002 [0,1,0,0,0,0|3,0,0]=4 5591 B14R0.394 NC(=O)OCCNCCCCCCCO 34a_100011996573_200011214921 [0,1,0,0,0,0|3,0,0]=4 5592 B14R0.394 NC(=O)OCCOCCCCCCCBr 34a_100000760002_200011214921 [0,1,0,0,0,0|3,0,0]=4 5593 B14R0.394 NC(=O)OCCOCCCCCCCBr 7a_100000760002_200011214921 [0,1,0,0,0,0|3,0,0]=4 5594 B14R0.394 NC(=O)OCCOCCCCCCCO 7a_100000766696_100000760002 [0,1,0,0,0,0|3,0,0]=4 5595 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_100000760002_200011214921 [0,1,0,0,0,0|3,0,0]=4 5596 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_200011214921_100000760002 [0,1,0,0,0,0|3,0,0]=4 5597 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [0,1,0,0,0,0|2,0,0]=3 5598 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [0,1,0,0,0,0|1,0,1]=3 5599 B14R0.394 NCCCCCCCCCOC[N+](=O)[O-] 34a_100000078944_100000761209 [0,1,0,0,0,0|2,0,1]=4 5600 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [0,1,0,0,0,0|2,0,0]=3 5601 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [0,1,0,0,0,0|2,0,0]=3 5602 B14R0.394 NCCCCCCCOCCOC(=O)N 34a_100011996573_200011214921 [0,1,0,0,0,0|3,0,0]=4 5603 B14R0.394 NCCCCCCOCCCCB(O)O 34a_100000686447_200009817182 [0,1,0,0,0,0|2,0,1]=4 5604 B14R0.394 NCCCCCCOCCOCC(=O)N 34a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 5605 B14R0.394 NCCCCCOCCCCCB(O)O 34a_100000762737_200009817188 [0,1,0,0,0,0|2,0,1]=4 5606 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [0,1,0,0,0,0|2,0,0]=3 5607 B14R0.394 NCCCCOCCCCCCB(O)O 34a_100000750430_100009817187 [0,1,0,0,0,0|2,0,1]=4 5608 B14R0.394 NCCCOCCCOCCCC(=O)N 34a_100011310245_100102525003 [0,1,0,0,0,0|3,0,0]=4 5609 B14R0.394 NCCNCCCCCOCCC(=O)N 34a_103619048469_100000731001 [0,1,0,0,0,0|3,0,0]=4 5610 B14R0.394 NCCOCCOCCCCCC(=O)N 34a_100000211614_100009817443 [0,1,0,0,0,0|3,0,0]=4 5611 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,1,0,0,0,0|1,0,0]=2 5612 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,1,0,0,0,0|2,0,0]=3 5613 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,1,0,0,0,0|2,0,0]=3 5614 B14R0.394 O=C(O)COCCOCCNCCCF 269956a_100009854275_100011934791 [0,1,0,0,0,0|3,0,0]=4 5615 B14R0.394 O=C(O)COCCOCCNCCCO 269956a_100009854275_100011215043 [0,1,0,0,0,0|3,0,0]=4 5616 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,1,0,0,0,0|2,0,0]=3 5617 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [0,1,0,0,0,0|1,0,1]=3 5618 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [0,1,0,0,0,0|1,0,1]=3 5619 B14R0.394 O=C([O-])CCCCCOCCOCCO 7a_100102619762_100011215305 [0,1,0,0,0,0|2,0,1]=4 5620 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [0,1,0,0,0,0|1,0,1]=3 5621 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [0,1,0,0,0,0|1,0,1]=3 5622 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [0,1,0,0,0,0|1,0,1]=3 5623 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [0,1,0,0,0,0|1,0,1]=3 5624 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [0,1,0,0,0,0|1,0,1]=3 5625 B14R0.394 O=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000139337 [0,1,0,0,0,0|2,0,1]=4 5626 B14R0.394 O=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139335 [0,1,0,0,0,0|1,0,2]=4 5627 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 34a_200015379883_100015922095 [0,1,0,0,0,0|2,0,1]=4 5628 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 7a_200015379883_100015922095 [0,1,0,0,0,0|2,0,1]=4 5629 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 34a_200015379883_100000766143 [0,1,0,0,0,0|2,0,1]=4 5630 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 7a_200015379883_100000766143 [0,1,0,0,0,0|2,0,1]=4 5631 B14R0.394 O=[N+]([O-])CCCOCCCCCCCO 34a_200000037920_100000760002 [0,1,0,0,0,0|2,0,1]=4 5632 B14R0.394 O=[N+]([O-])CNCCCCCCCCCO 34a_100000078944_100000761209 [0,1,0,0,0,0|2,0,1]=4 5633 B14R0.394 O=[N+]([O-])COCCCCCCCCCBr 34a_100009813782_100000761209 [0,1,0,0,0,0|2,0,1]=4 5634 B14R0.394 O=[N+]([O-])COCCCCCCCCCCl 34a_100009868337_100000761209 [0,1,0,0,0,0|2,0,1]=4 5635 B14R0.394 O=[N+]([O-])CSCCCCCCCCCO 62a_100009813782_100000761209 [0,1,0,0,0,0|2,0,1]=4 5636 B14R0.394 OB(O)CCCCCCOCCCCBr 34a_100011216708_100009817187 [0,1,0,0,0,0|2,0,1]=4 5637 B14R0.394 OB(O)CCCCCCOCCCCCl 34a_100000210776_100009817187 [0,1,0,0,0,0|2,0,1]=4 5638 B14R0.394 OB(O)CCCCCCOCCCCCl 7a_100000210776_100009817187 [0,1,0,0,0,0|2,0,1]=4 5639 B14R0.394 OB(O)CCCCCCOCCCCF 34a_100011995726_100009817187 [0,1,0,0,0,0|2,0,1]=4 5640 B14R0.394 OB(O)CCCCCCOCCCCF 7a_100011995726_100009817187 [0,1,0,0,0,0|2,0,1]=4 5641 B14R0.394 OB(O)CCCCCCOCCCCI 34a_200012148704_100009817187 [0,1,0,0,0,0|2,0,1]=4 5642 B14R0.394 OB(O)CCCCCCSCCCCF 62a_100000729493_100009817187 [0,1,0,0,0,0|2,0,1]=4 5643 B14R0.394 OB(O)CCCCCCSCCCCF 62a_100009817187_100000729493 [0,1,0,0,0,0|2,0,1]=4 5644 B14R0.394 OB(O)CCCCCOCCCCCBr 34a_100000746331_200009817188 [0,1,0,0,0,0|2,0,1]=4 5645 B14R0.394 OB(O)CCCCCOCCCCCBr 7a_100000746331_200009817188 [0,1,0,0,0,0|2,0,1]=4 5646 B14R0.394 OB(O)CCCCCOCCCCCCl 34a_100000746330_200009817188 [0,1,0,0,0,0|2,0,1]=4 5647 B14R0.394 OB(O)CCCCCOCCCCCCl 7a_100000746330_200009817188 [0,1,0,0,0,0|2,0,1]=4 5648 B14R0.394 OB(O)CCCCCOCCCCCI 34a_200012148887_200009817188 [0,1,0,0,0,0|2,0,1]=4 5649 B14R0.394 OB(O)CCCCCOCCCCCI 7a_200012148887_200009817188 [0,1,0,0,0,0|2,0,1]=4 5650 B14R0.394 OB(O)CCCCCSCCCCCF 62a_100000729378_200009817188 [0,1,0,0,0,0|2,0,1]=4 5651 B14R0.394 OB(O)CCCCCSCCCCCF 62a_200009817188_100000729378 [0,1,0,0,0,0|2,0,1]=4 5652 B14R0.394 OB(O)CCCCOCCCCCCBr 34a_100011215345_200009817182 [0,1,0,0,0,0|2,0,1]=4 5653 B14R0.394 OB(O)CCCCOCCCCCCBr 7a_100011215345_200009817182 [0,1,0,0,0,0|2,0,1]=4 5654 B14R0.394 OB(O)CCCCOCCCCCCCl 34a_100000766143_200009817182 [0,1,0,0,0,0|2,0,1]=4 5655 B14R0.394 OB(O)CCCCOCCCCCCCl 7a_100000766143_200009817182 [0,1,0,0,0,0|2,0,1]=4 5656 B14R0.394 OB(O)CCCCOCCCCCCF 34a_100000732779_200009817182 [0,1,0,0,0,0|2,0,1]=4 5657 B14R0.394 OB(O)CCCCOCCCCCCF 7a_100000732779_200009817182 [0,1,0,0,0,0|2,0,1]=4 5658 B14R0.394 OB(O)CCCCSCCCCCCF 62a_100015922095_200009817182 [0,1,0,0,0,0|2,0,1]=4 5659 B14R0.394 OB(O)CCCCSCCCCCCF 62a_200009817182_100015922095 [0,1,0,0,0,0|2,0,1]=4 5660 B14R0.394 OCCCCCCNCCCCB(O)O 2230a_100000686447_200009817182 [0,1,0,0,0,0|2,0,1]=4 5661 B14R0.394 OCCCCCCNCCCCB(O)O 34a_100000686447_200009817182 [0,1,0,0,0,0|2,0,1]=4 5662 B14R0.394 OCCCCCCSCCCCB(O)O 62a_100000766143_200009817182 [0,1,0,0,0,0|2,0,1]=4 5663 B14R0.394 OCCCCCCSCCCCB(O)O 62a_200009817182_100000766143 [0,1,0,0,0,0|2,0,1]=4 5664 B14R0.394 OCCCCCNCCCCCB(O)O 2230a_100000762737_200009817188 [0,1,0,0,0,0|2,0,1]=4 5665 B14R0.394 OCCCCCNCCCCCB(O)O 34a_100000762737_200009817188 [0,1,0,0,0,0|2,0,1]=4 5666 B14R0.394 OCCCCCSCCCCCB(O)O 62a_100000746330_200009817188 [0,1,0,0,0,0|2,0,1]=4 5667 B14R0.394 OCCCCCSCCCCCB(O)O 62a_200009817188_100000746330 [0,1,0,0,0,0|2,0,1]=4 5668 B14R0.394 OCCCCNCCCCCCB(O)O 2230a_100000750430_100009817187 [0,1,0,0,0,0|2,0,1]=4 5669 B14R0.394 OCCCCNCCCCCCB(O)O 34a_100000750430_100009817187 [0,1,0,0,0,0|2,0,1]=4 5670 B14R0.394 OCCCCSCCCCCCB(O)O 62a_100000210776_100009817187 [0,1,0,0,0,0|2,0,1]=4 5671 B14R0.394 OCCCCSCCCCCCB(O)O 62a_100009817187_100000210776 [0,1,0,0,0,0|2,0,1]=4 5672 B14R0.394 [13CH3]NCCOCCOCCOCC(=O)O 269956a_100010423269_200025704644 [0,1,0,0,0,0|3,0,0]=4 5673 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [0,1,0,0,0,0|1,0,0]=2 5674 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [0,1,0,0,0,0|1,0,0]=2 5675 B14R0.432 CC(CCN)COCCCCCC(=O)N 34a_106354213184_100009817443 [0,1,0,0,0,0|3,0,0]=4 5676 B14R0.432 CCCC(=O)COCCCCCC(=O)N 7a_100000123541_100000747444 [0,1,0,0,0,0|2,0,1]=4 5677 B14R0.432 CCCC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747444 [0,1,0,0,0,0|1,0,2]=4 5678 B14R0.432 CCCC(=O)CSCCCCCC(=O)N 62a_100000747444_100009817443 [0,1,0,0,0,0|2,0,1]=4 5679 B14R0.432 CCCC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747444 [0,1,0,0,0,0|2,0,1]=4 5680 B14R0.432 CCCC(C)CCCOCCCC(=O)C 34a_100011713154_100000685027 [0,1,0,0,0,0|2,0,0]=3 5681 B14R0.432 CCCC(C)CCCOCCCC(=O)C 7a_100011713154_100011215641 [0,1,0,0,0,0|2,0,0]=3 5682 B14R0.432 CCCC(C)CCCOCCCC(=O)N 34a_100011713154_100102525003 [0,1,0,0,0,0|2,0,0]=3 5683 B14R0.432 CCCC(C)CCCOCCCC(=O)N 7a_100011713154_100102525003 [0,1,0,0,0,0|2,0,0]=3 5684 B14R0.432 CCCC(C)CCCOCCCC(C)O 34a_100011713154_200000718107 [0,1,0,0,0,0|2,0,1]=4 5685 B14R0.432 CCCC(C)CCCOCCCC(C)O 7a_100011713154_200000718107 [0,1,0,0,0,0|2,0,1]=4 5686 B14R0.432 CCCC(C)CCCOCCNC(=O)C 7a_100011713154_100000189650 [0,1,0,0,0,0|3,0,0]=4 5687 B14R0.432 CCCC(C)CCCOCCNC(=O)N 7a_100011713154_200000034859 [0,1,0,0,0,0|3,0,0]=4 5688 B14R0.432 CCCC(C)CCCOCCOC(=O)C 34a_100011713154_100009814007 [0,1,0,0,0,0|3,0,0]=4 5689 B14R0.432 CCCC(C)CCCOCCOC(=O)C 7a_100011713154_100009814007 [0,1,0,0,0,0|3,0,0]=4 5690 B14R0.432 CCCC(C)CCCOCCOC(=O)N 34a_100011713154_200011214921 [0,1,0,0,0,0|3,0,0]=4 5691 B14R0.432 CCCC(C)CCCOCCOC(=O)N 7a_100011713154_200011214921 [0,1,0,0,0,0|3,0,0]=4 5692 B14R0.432 CCCC(C)CCOCCCCB(O)O 34a_100011217855_200009817182 [0,1,0,0,0,0|2,0,1]=4 5693 B14R0.432 CCCC(C)CCOCCCCB(O)O 7a_100011217855_200009817182 [0,1,0,0,0,0|2,0,1]=4 5694 B14R0.432 CCCC(C)CCOCCCCC(=O)C 34a_100011217855_100009817362 [0,1,0,0,0,0|2,0,0]=3 5695 B14R0.432 CCCC(C)CCOCCCCC(=O)C 7a_100011217855_100000735457 [0,1,0,0,0,0|2,0,0]=3 5696 B14R0.432 CCCC(C)CCOCCCOC(=O)C 34a_100011217855_100000042594 [0,1,0,0,0,0|3,0,0]=4 5697 B14R0.432 CCCC(C)CCOCCCOC(=O)C 7a_100011217855_100000042594 [0,1,0,0,0,0|3,0,0]=4 5698 B14R0.432 CCCC(C)CCOCCCSC(=O)C 34a_100011217855_100000038929 [0,1,0,0,0,0|3,0,0]=4 5699 B14R0.432 CCCC(C)CCOCCCSC(=O)C 7a_100011217855_100000038929 [0,1,0,0,0,0|3,0,0]=4 5700 B14R0.432 CCCC(C)CCOCCOCC(=O)N 34a_100011217855_100000076697 [0,1,0,0,0,0|3,0,0]=4 5701 B14R0.432 CCCC(C)CCOCCOCC(=O)N 7a_100011217855_100000076697 [0,1,0,0,0,0|3,0,0]=4 5702 B14R0.432 CCCC(C)CNCCCCNC(=O)C 2230a_200011368371_100011216630 [0,1,0,0,0,0|3,0,0]=4 5703 B14R0.432 CCCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243154 [0,1,0,0,0,0|3,0,0]=4 5704 B14R0.432 CCCC(C)CNCCCCNC(=O)C 34a_200011368371_100011216630 [0,1,0,0,0,0|3,0,0]=4 5705 B14R0.432 CCCC(C)COCCCCCB(O)O 34a_100000688023_200009817188 [0,1,0,0,0,0|2,0,1]=4 5706 B14R0.432 CCCC(C)COCCCCCB(O)O 7a_100000688023_200009817188 [0,1,0,0,0,0|2,0,1]=4 5707 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000123541_100011216630 [0,1,0,0,0,0|2,0,0]=3 5708 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000688023_100009817443 [0,1,0,0,0,0|2,0,0]=3 5709 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000123541_100011216630 [0,1,0,0,0,0|2,0,0]=3 5710 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000688023_100009817443 [0,1,0,0,0,0|2,0,0]=3 5711 B14R0.432 CCCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100011216630 [0,1,0,0,0,0|1,0,1]=3 5712 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000073216_100011216630 [0,1,0,0,0,0|3,0,0]=4 5713 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000688023_100000033659 [0,1,0,0,0,0|3,0,0]=4 5714 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000073216_100011216630 [0,1,0,0,0,0|3,0,0]=4 5715 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000688023_100000033659 [0,1,0,0,0,0|3,0,0]=4 5716 B14R0.432 CCCC(C)COCCCCSC(=O)C 34a_100000688023_200010402107 [0,1,0,0,0,0|3,0,0]=4 5717 B14R0.432 CCCC(C)COCCCCSC(=O)C 7a_100000688023_200010402107 [0,1,0,0,0,0|3,0,0]=4 5718 B14R0.432 CCCC(C)CSCCCCCB(O)O 62a_100011216630_200009817188 [0,1,0,0,0,0|2,0,1]=4 5719 B14R0.432 CCCC(C)CSCCCCCB(O)O 62a_200009817188_100011216630 [0,1,0,0,0,0|2,0,1]=4 5720 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100009817443_100011216630 [0,1,0,0,0,0|2,0,0]=3 5721 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100011216630_100009817443 [0,1,0,0,0,0|2,0,0]=3 5722 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100000033659_100011216630 [0,1,0,0,0,0|3,0,0]=4 5723 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100011216630_100000033659 [0,1,0,0,0,0|3,0,0]=4 5724 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_100011216630_200010402107 [0,1,0,0,0,0|3,0,0]=4 5725 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_200010402107_100011216630 [0,1,0,0,0,0|3,0,0]=4 5726 B14R0.432 CCCC(C)NCCCCCCB(O)O 2230a_100000741246_100009817187 [0,1,0,0,0,0|2,0,1]=4 5727 B14R0.432 CCCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000766640 [0,1,0,0,0,0|3,0,0]=4 5728 B14R0.432 CCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000211909 [0,1,0,0,0,0|3,0,0]=4 5729 B14R0.432 CCCC(C)NCCCCCNC(=O)C 34a_200012022750_100000766640 [0,1,0,0,0,0|3,0,0]=4 5730 B14R0.432 CCCC(C)NCCCCCOC(=O)C 2230a_100000741246_100009813381 [0,1,0,0,0,0|3,0,0]=4 5731 B14R0.432 CCCC(C)OCCCCCCB(O)O 34a_100000764384_100009817187 [0,1,0,0,0,0|2,0,1]=4 5732 B14R0.432 CCCC(C)OCCCCCCB(O)O 7a_100000764384_100009817187 [0,1,0,0,0,0|2,0,1]=4 5733 B14R0.432 CCCC(C)OCCCCCOC(=O)C 34a_100000764384_100000033007 [0,1,0,0,0,0|3,0,0]=4 5734 B14R0.432 CCCC(C)OCCCCCOC(=O)C 7a_100000764384_100000033007 [0,1,0,0,0,0|3,0,0]=4 5735 B14R0.432 CCCC(C)SCCCCCCB(O)O 62a_100000766640_100009817187 [0,1,0,0,0,0|2,0,1]=4 5736 B14R0.432 CCCC(C)SCCCCCCB(O)O 62a_100009817187_100000766640 [0,1,0,0,0,0|2,0,1]=4 5737 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000033007_100000766640 [0,1,0,0,0,0|3,0,0]=4 5738 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000766640_100000033007 [0,1,0,0,0,0|3,0,0]=4 5739 B14R0.432 CCC[C@H](N)CCOCCCCB(O)O 34a_100015193777_200009817182 [0,1,0,0,0,0|2,0,1]=4 5740 B14R0.432 CCC[C@H](N)CCOCCCCC(=O)C 34a_100015193777_100009817362 [0,1,0,0,0,0|2,0,0]=3 5741 B14R0.432 CCC[C@H](N)CCOCCCOC(=O)C 34a_100015193777_100000042594 [0,1,0,0,0,0|3,0,0]=4 5742 B14R0.432 CCC[C@H](N)CCOCCCSC(=O)C 34a_100015193777_100000038929 [0,1,0,0,0,0|3,0,0]=4 5743 B14R0.432 CCC[C@H](N)CCOCCOCC(=O)N 34a_100015193777_100000076697 [0,1,0,0,0,0|3,0,0]=4 5744 B14R0.432 CCC[C@H](N)COCCCCCB(O)O 34a_100000732646_200009817188 [0,1,0,0,0,0|2,0,1]=4 5745 B14R0.432 CCC[C@H](N)COCCCCCC(=O)N 34a_100000732646_100009817443 [0,1,0,0,0,0|2,0,0]=3 5746 B14R0.432 CCC[C@H](N)COCCCCOC(=O)C 34a_100000732646_100000033659 [0,1,0,0,0,0|3,0,0]=4 5747 B14R0.432 CCC[C@H](N)COCCCCSC(=O)C 34a_100000732646_200010402107 [0,1,0,0,0,0|3,0,0]=4 5748 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,1,0,0,0,0|2,0,1]=4 5749 B14R0.432 CCOC(=O)CCCCCNCC(=O)O 269956a_100016091260_100000755133 [0,1,0,0,0,0|2,0,1]=4 5750 B14R0.432 COCC(N)COCCCCCC(=O)N 34a_100000724102_100009817443 [0,1,0,0,0,0|3,0,0]=4 5751 B14R0.432 COCC(O)CNCCCCCC(=O)N 2230a_100000756049_100009817443 [0,1,0,0,0,0|3,0,0]=4 5752 B14R0.432 COCC(O)CNCCCCCC(=O)N 34a_100000756049_100009817443 [0,1,0,0,0,0|3,0,0]=4 5753 B14R0.432 COCC(O)COCCCCCC(=O)N 34a_100000123541_100011215053 [0,1,0,0,0,0|3,0,0]=4 5754 B14R0.432 COCC(O)COCCCCCC(=O)N 7a_100000123541_100011215053 [0,1,0,0,0,0|3,0,0]=4 5755 B14R0.432 COCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011215053 [0,1,0,0,0,0|2,0,1]=4 5756 B14R0.432 COCC(O)CSCCCCCC(=O)N 62a_100009817443_100011215053 [0,1,0,0,0,0|3,0,0]=4 5757 B14R0.432 COCC(O)CSCCCCCC(=O)N 62a_100011215053_100009817443 [0,1,0,0,0,0|3,0,0]=4 5758 B14R0.2224 C=C(C)COCCC(C)CCCCCC 34a_200011024964_100000748629 [0,1,0,0,0,0|3,0,0]=4 5759 B14R0.2224 C=C(C)COCCC(C)CCCCCC 7a_200011024964_100000748629 [0,1,0,0,0,0|3,0,0]=4 5760 B14R0.2224 C=C(F)COCCC(C)CCCCCC 34a_200011024964_100009893438 [0,1,0,0,0,0|3,0,0]=4 5761 B14R0.2224 C=C(F)COCCC(C)CCCCCC 7a_200011024964_100000042424 [0,1,0,0,0,0|3,0,0]=4 5762 B14R0.2224 CC(=O)CCCCC(=O)CCCCCO 1458a_100102619762_100000735457 [0,1,0,0,0,0|2,0,1]=4 5763 B14R0.2224 CC(=O)CCCCN(C)CCCCCO 269982a_100000722520_100000735457 [0,1,0,0,0,0|3,0,0]=4 5764 B14R0.2224 CCCCCCC(=O)CCCCB(O)O 1458a_100102632555_200009817182 [0,1,0,0,0,0|1,0,2]=4 5765 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [0,1,0,0,0,0|1,0,1]=3 5766 B14R0.2224 CCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210757 [0,1,0,0,0,0|2,0,1]=4 5767 B14R0.2224 CCCCCCC(=O)CCCOC(=O)C 1458a_100102632555_100000042594 [0,1,0,0,0,0|2,0,1]=4 5768 B14R0.2224 CCCCCCC(=O)CCCSC(=O)C 1458a_100102632555_100000038929 [0,1,0,0,0,0|2,0,1]=4 5769 B14R0.2224 CCCCCCC(=O)CCOCC(=O)N 1458a_100102632555_100000076697 [0,1,0,0,0,0|2,0,1]=4 5770 B14R0.2224 CCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210757 [0,1,0,0,0,0|2,0,1]=4 5771 B14R0.2224 CCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100102632555 [0,1,0,0,0,0|2,0,1]=4 5772 B14R0.2224 CCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100102632555 [0,1,0,0,0,0|2,0,1]=4 5773 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 34a_200011024964_100000187820 [0,1,0,0,0,0|2,0,0]=3 5774 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 7a_200011024964_100000187820 [0,1,0,0,0,0|2,0,0]=3 5775 B14R0.2224 CCCCCCC(C)CCOCC(=O)[O-] 34a_200011024964_100020667443 [0,1,0,0,0,0|1,0,1]=3 5776 B14R0.2224 CCCCCCC(C)CCOCC(C)O 34a_200011024964_100011218427 [0,1,0,0,0,0|2,0,1]=4 5777 B14R0.2224 CCCCCCC(C)CCOCC(C)O 7a_200011024964_100011218427 [0,1,0,0,0,0|2,0,1]=4 5778 B14R0.2224 CCCCCCC(C)CCOC[C@@H](C)O 34a_200011024964_100009817552 [0,1,0,0,0,0|2,0,1]=4 5779 B14R0.2224 CCCCCCC(C)CCOC[C@@H](C)O 7a_200011024964_100009817552 [0,1,0,0,0,0|2,0,1]=4 5780 B14R0.2224 CCCCCCC(C)CCOC[N+](=O)[O-] 34a_200011024964_100000761209 [0,1,0,0,0,0|2,0,1]=4 5781 B14R0.2224 CCCCCCC(C)NCCCC(=O)C 34a_100000210919_100000685027 [0,1,0,0,0,0|2,0,0]=3 5782 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000210919_100102525003 [0,1,0,0,0,0|2,0,0]=3 5783 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000739312_100011215978 [0,1,0,0,0,0|2,0,0]=3 5784 B14R0.2224 CCCCCCC(C)NCCCC(C)O 2230a_100000210919_200000718107 [0,1,0,0,0,0|2,0,1]=4 5785 B14R0.2224 CCCCCCC(C)NCCCC(C)O 34a_100000210919_200000718107 [0,1,0,0,0,0|2,0,1]=4 5786 B14R0.2224 CCCCCCC(C)NCCCS(=O)C 2230a_200000753449_100011215978 [0,1,0,0,0,0|3,0,0]=4 5787 B14R0.2224 CCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210826 [0,1,0,0,0,0|3,0,0]=4 5788 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000209853_100011215978 [0,1,0,0,0,0|3,0,0]=4 5789 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000210919_100000189650 [0,1,0,0,0,0|3,0,0]=4 5790 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 2230a_100000210919_200000034859 [0,1,0,0,0,0|3,0,0]=4 5791 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 34a_100020590234_100011215978 [0,1,0,0,0,0|3,0,0]=4 5792 B14R0.2224 CCCCCCC(C)NCCOC(=O)C 34a_100000210919_100009814007 [0,1,0,0,0,0|3,0,0]=4 5793 B14R0.2224 CCCCCCC(C)NCCOC(=O)N 34a_100000210919_200011214921 [0,1,0,0,0,0|3,0,0]=4 5794 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000210265_100000685027 [0,1,0,0,0,0|2,0,0]=3 5795 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000759063_100011215978 [0,1,0,0,0,0|2,0,0]=3 5796 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000210265_100011215641 [0,1,0,0,0,0|2,0,0]=3 5797 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000759063_100011215978 [0,1,0,0,0,0|2,0,0]=3 5798 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 34a_100000210265_100102525003 [0,1,0,0,0,0|2,0,0]=3 5799 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 7a_100000210265_100102525003 [0,1,0,0,0,0|2,0,0]=3 5800 B14R0.2224 CCCCCCC(C)OCCCC(C)O 34a_100000210265_200000718107 [0,1,0,0,0,0|2,0,1]=4 5801 B14R0.2224 CCCCCCC(C)OCCCC(C)O 7a_100000210265_200000718107 [0,1,0,0,0,0|2,0,1]=4 5802 B14R0.2224 CCCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100011215978 [0,1,0,0,0,0|2,0,1]=4 5803 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 34a_100000158858_100011215978 [0,1,0,0,0,0|3,0,0]=4 5804 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 7a_100000210265_100000189650 [0,1,0,0,0,0|3,0,0]=4 5805 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 34a_100000181757_100011215978 [0,1,0,0,0,0|3,0,0]=4 5806 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 7a_100000210265_200000034859 [0,1,0,0,0,0|3,0,0]=4 5807 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 34a_100000210265_100009814007 [0,1,0,0,0,0|3,0,0]=4 5808 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 7a_100000210265_100009814007 [0,1,0,0,0,0|3,0,0]=4 5809 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 34a_100000210265_200011214921 [0,1,0,0,0,0|3,0,0]=4 5810 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000210265_200011214921 [0,1,0,0,0,0|3,0,0]=4 5811 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000766696_100011215978 [0,1,0,0,0,0|3,0,0]=4 5812 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215641_100011215978 [0,1,0,0,0,0|2,0,0]=3 5813 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215978_100011215641 [0,1,0,0,0,0|2,0,0]=3 5814 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100011215978_100102525003 [0,1,0,0,0,0|2,0,0]=3 5815 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100102525003_100011215978 [0,1,0,0,0,0|2,0,0]=3 5816 B14R0.2224 CCCCCCC(C)SCCCC(C)O 62a_100011215978_200000718107 [0,1,0,0,0,0|2,0,1]=4 5817 B14R0.2224 CCCCCCC(C)SCCCC(C)O 62a_200000718107_100011215978 [0,1,0,0,0,0|2,0,1]=4 5818 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100000189650_100011215978 [0,1,0,0,0,0|3,0,0]=4 5819 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100011215978_100000189650 [0,1,0,0,0,0|3,0,0]=4 5820 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_100011215978_200000034859 [0,1,0,0,0,0|3,0,0]=4 5821 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_200000034859_100011215978 [0,1,0,0,0,0|3,0,0]=4 5822 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100009814007_100011215978 [0,1,0,0,0,0|3,0,0]=4 5823 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100011215978_100009814007 [0,1,0,0,0,0|3,0,0]=4 5824 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_100011215978_200011214921 [0,1,0,0,0,0|3,0,0]=4 5825 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_200011214921_100011215978 [0,1,0,0,0,0|3,0,0]=4 5826 B14R0.2224 CCCCCCN(C)CCCCB(O)O 2230a_106256046315_200009817182 [0,1,0,0,0,0|2,0,1]=4 5827 B14R0.2224 CCCCCCN(C)CCCCB(O)O 269982a_106256046315_200009817182 [0,1,0,0,0,0|2,0,1]=4 5828 B14R0.2224 CCCCCCN(C)CCCCC(=O)C 269982a_106256046315_100000735457 [0,1,0,0,0,0|2,0,0]=3 5829 B14R0.2224 CCCCCCN(C)CCCOC(=O)C 269982a_106256046315_100000042594 [0,1,0,0,0,0|3,0,0]=4 5830 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 2230a_106256046315_100000038929 [0,1,0,0,0,0|3,0,0]=4 5831 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 269982a_106256046315_100000038929 [0,1,0,0,0,0|3,0,0]=4 5832 B14R0.2224 CCCCCCN(C)CCOCC(=O)N 2230a_106256046315_100000076697 [0,1,0,0,0,0|3,0,0]=4 5833 B14R0.2224 CCCCCCN(C)CCOCC(=O)N 269982a_106256046315_100000076697 [0,1,0,0,0,0|3,0,0]=4 5834 B14R0.2224 CCCCOCC(=O)CCCCC(=O)C 1458a_100000757543_100000735457 [0,1,0,0,0,0|2,0,1]=4 5835 B14R0.2224 CCCCOCC(C)OCCCC(=O)C 34a_100011217071_100000685027 [0,1,0,0,0,0|3,0,0]=4 5836 B14R0.2224 CCCCOCC(C)OCCCC(=O)C 7a_100011217071_100011215641 [0,1,0,0,0,0|3,0,0]=4 5837 B14R0.2224 CCCCOCC(C)OCCCC(=O)N 34a_100011217071_100102525003 [0,1,0,0,0,0|3,0,0]=4 5838 B14R0.2224 CCCCOCC(C)OCCCC(=O)N 7a_100011217071_100102525003 [0,1,0,0,0,0|3,0,0]=4 5839 B14R0.2224 CCCCSCC(=O)CCCCC(=O)C 1458a_100000191162_100000735457 [0,1,0,0,0,0|2,0,1]=4 5840 B14R1.26 CCCCCCCN1CCCC(C1)O 2230a_100000211013_100000210681 [0,0,0,1,0,0|2,0,1]=4 5841 B14R1.26 CCCCCCCN1CCCC(C1)O 269982a_100000211013_100000210681 [0,0,0,1,0,0|2,0,1]=4 5842 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,0,0,1,0,0|3,0,0]=4 5843 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,0,0,1,0,0|3,0,0]=4 5844 B14R1.26 CCCCCCNC1CCCC(C1)O 2230a_100015190357_100000210314 [0,0,0,1,0,0|2,0,1]=4 5845 B14R1.26 CCCCCCNC1CCCC(C1)O 270004a_100000210581_100012613340 [0,0,0,1,0,0|2,0,1]=4 5846 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,0,0,1,0,0|3,0,0]=4 5847 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,0,0,1,0,0|3,0,0]=4 5848 B14R1.26 CCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210314 [0,0,0,1,0,0|3,0,0]=4 5849 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,0,0,1,0,0|2,0,0]=3 5850 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,0,0,1,0,0|3,0,0]=4 5851 B14R1.26 CCCCCNCC1CCCC(C1)O 2230a_100011254705_100000210326 [0,0,0,1,0,0|2,0,1]=4 5852 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,0,0,1,0,0|2,0,0]=3 5853 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,0,0,1,0,0|3,0,0]=4 5854 B14R1.26 CCCCCOCC1COCC(=O)N1 34a_200000101122_100000718602 [0,0,0,1,0,0|3,0,0]=4 5855 B14R1.26 CCCCOCOC1CCCC(=O)C1 34a_100012613340_100011995733 [0,0,0,1,0,0|3,0,0]=4 5856 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,0,0,1,0,0|3,0,0]=4 5857 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,0,0,1,0,0|3,0,0]=4 5858 B14R1.26 CCOCCOCC1CCCC(=O)N1 34a_200000102386_100000210147 [0,0,0,1,0,0|3,0,0]=4 5859 B14R1.26 CCSCCOCC1CCCC(=O)N1 34a_200000102386_100000757381 [0,0,0,1,0,0|3,0,0]=4 5860 B14R1.26 COCCCCOC1CCCC(=O)C1 34a_100012613340_100000755781 [0,0,0,1,0,0|3,0,0]=4 5861 B14R1.26 COCCCOCC1CCCC(=O)N1 34a_200000102386_100000740836 [0,0,0,1,0,0|3,0,0]=4 5862 B14R1.26 O=C1CCCC(C1)OCCCCCF 34a_100012613340_100000729378 [0,0,0,1,0,0|3,0,0]=4 5863 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [0,0,0,1,0,0|3,0,0]=4 5864 B14R1.26 O=C1CCCC(N1)COCCCCF 34a_200000102386_100000729493 [0,0,0,1,0,0|3,0,0]=4 5865 B14R1.26 O=C1CCCC(N1)COCCCCO 34a_200000102386_100011216708 [0,0,0,1,0,0|3,0,0]=4 5866 B14R1.96 C=C(C)CCOC1CCCCC1CC 34a_100000210738_100000730704 [0,0,0,1,0,0|3,0,0]=4 5867 B14R1.96 C=C(C)CCOC1CCCCC1CC 7a_100000210738_100000730704 [0,0,0,1,0,0|3,0,0]=4 5868 B14R1.96 CC(=O)CCCN1CCCCC1CO 269982a_100000210821_100011215641 [0,0,0,1,0,0|3,0,0]=4 5869 B14R1.96 CC(=O)CCCN1CCCCC1CO 34a_100000210821_100000685027 [0,0,0,1,0,0|3,0,0]=4 5870 B14R1.96 CCC1CCCCC1NCCC(=O)N 269862a_100000740010_100000757040 [0,0,0,1,0,0|2,0,0]=3 5871 B14R1.96 CCC1CCCCC1NCCC(C)O 269862a_200000755665_100000757040 [0,0,0,1,0,0|2,0,1]=4 5872 B14R1.96 CCC1CCCCC1NCCC(C)O 270004a_200000755665_100000757040 [0,0,0,1,0,0|2,0,1]=4 5873 B14R1.96 CCC1CCCCC1OCCC(=O)C 7a_100000210738_100000053229 [0,0,0,1,0,0|2,0,0]=3 5874 B14R1.96 CCC1CCCCC1OCCC(=O)N 34a_100000210738_100000731001 [0,0,0,1,0,0|2,0,0]=3 5875 B14R1.96 CCC1CCCCC1OCCC(=O)N 7a_100000210738_100000744528 [0,0,0,1,0,0|2,0,0]=3 5876 B14R1.96 CCC1CCCCC1OCCC(C)O 34a_100000210738_100012276601 [0,0,0,1,0,0|2,0,1]=4 5877 B14R1.96 CCC1CCCCC1OCCC(C)O 7a_100000210738_100012276601 [0,0,0,1,0,0|2,0,1]=4 5878 B14R1.96 CCC1CCCCC1OCOC(=O)C 34a_100000210738_100009813279 [0,0,0,1,0,0|3,0,0]=4 5879 B14R1.96 CCC1CCCCN1CCCC(=O)C 269982a_100000210034_100011215641 [0,0,0,1,0,0|2,0,0]=3 5880 B14R1.96 CCC1CCCCN1CCCC(=O)C 34a_100000210034_100000685027 [0,0,0,1,0,0|2,0,0]=3 5881 B14R1.96 CCC1CCCCN1CCCC(=O)N 269982a_100000210034_100102525003 [0,0,0,1,0,0|2,0,0]=3 5882 B14R1.96 CCC1CCCCN1CCCC(=O)N 34a_100000210034_100102525003 [0,0,0,1,0,0|2,0,0]=3 5883 B14R1.96 CCC1CCCCN1CCCC(C)O 2230a_100000210034_200000718107 [0,0,0,1,0,0|2,0,1]=4 5884 B14R1.96 CCC1CCCCN1CCCC(C)O 269982a_100000210034_200000718107 [0,0,0,1,0,0|2,0,1]=4 5885 B14R1.96 CCC1CCCCN1CCCC(C)O 34a_100000210034_200000718107 [0,0,0,1,0,0|2,0,1]=4 5886 B14R1.96 CCC1CCCCN1CCNC(=O)C 11a_100000755458_100015343762 [0,0,0,1,0,0|3,0,0]=4 5887 B14R1.96 CCC1CCCCN1CCNC(=O)C 1626a_100000755458_100015343762 [0,0,0,1,0,0|3,0,0]=4 5888 B14R1.96 CCC1CCCCN1CCNC(=O)C 2230a_100000210034_100000189650 [0,0,0,1,0,0|3,0,0]=4 5889 B14R1.96 CCC1CCCCN1CCNC(=O)C 240690a_100000755458_100015343762 [0,0,0,1,0,0|3,0,0]=4 5890 B14R1.96 CCC1CCCCN1CCNC(=O)C 269982a_100000210034_100000189650 [0,0,0,1,0,0|3,0,0]=4 5891 B14R1.96 CCC1CCCCN1CCNC(=O)C 527a_100000755458_100103153847 [0,0,0,1,0,0|3,0,0]=4 5892 B14R1.96 CCC1CCCCN1CCNC(=O)N 2230a_100000210034_200000034859 [0,0,0,1,0,0|3,0,0]=4 5893 B14R1.96 CCC1CCCCN1CCNC(=O)N 269982a_100000210034_200000034859 [0,0,0,1,0,0|3,0,0]=4 5894 B14R1.96 CCC1CCCCN1CCOC(=O)C 269982a_100000210034_100009814007 [0,0,0,1,0,0|3,0,0]=4 5895 B14R1.96 CCC1CCCCN1CCOC(=O)C 34a_100000210034_100009814007 [0,0,0,1,0,0|3,0,0]=4 5896 B14R1.96 CCC1CCCCN1CCOC(=O)N 269982a_100000210034_200011214921 [0,0,0,1,0,0|3,0,0]=4 5897 B14R1.96 CCC1CCCCN1CCOC(=O)N 34a_100000210034_200011214921 [0,0,0,1,0,0|3,0,0]=4 5898 B14R1.96 CCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210202 [0,0,0,1,0,0|3,0,0]=4 5899 B14R1.96 CCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000204670 [0,0,0,1,0,0|3,0,0]=4 5900 B14R1.96 CCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210202 [0,0,0,1,0,0|3,0,0]=4 5901 B14R1.96 CCN1CCCCC1CNCC(=O)N 2230a_100000754393_100000747473 [0,0,0,1,0,0|3,0,0]=4 5902 B14R1.96 CCN1CCCCC1CNCC(=O)N 34a_100000754393_100000187820 [0,0,0,1,0,0|3,0,0]=4 5903 B14R1.96 CCN1CCCCC1CNCC(=O)[O-] 34a_100000754393_100020667443 [0,0,0,1,0,0|2,0,1]=4 5904 B14R1.96 CCN1CCCCC1COCC(=O)N 34a_100000225091_100000187820 [0,0,0,1,0,0|3,0,0]=4 5905 B14R1.96 CCN1CCCCC1COCC(=O)N 7a_100000225091_100000187820 [0,0,0,1,0,0|3,0,0]=4 5906 B14R1.96 CCN1CCCCC1COCC(=O)[O-] 34a_100000225091_100020667443 [0,0,0,1,0,0|2,0,1]=4 5907 B14R1.96 CC[C@H]1COCCN1CCCC(=O)C 269982a_100016988097_100011215641 [0,0,0,1,0,0|3,0,0]=4 5908 B14R1.96 CC[C@H]1COCCN1CCCC(=O)C 34a_100016988097_100000685027 [0,0,0,1,0,0|3,0,0]=4 5909 B14R1.96 CC[C@H]1COCCN1CCCC(=O)N 269982a_100016988097_100102525003 [0,0,0,1,0,0|3,0,0]=4 5910 B14R1.96 CC[C@H]1COCCN1CCCC(=O)N 34a_100016988097_100102525003 [0,0,0,1,0,0|3,0,0]=4 5911 B14R1.96 CN[C@@H]1CCCC[C@H]1OCCC(=O)N 34a_100000708425_100000731001 [0,0,0,1,0,0|3,0,0]=4 5912 B14R1.96 COC1CCCCC1NCCC(=O)N 34a_100011208099_100000731001 [0,0,0,1,0,0|3,0,0]=4 5913 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)C 7a_200009815850_100000053229 [0,0,0,1,0,0|3,0,0]=4 5914 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)N 34a_200009815850_100000731001 [0,0,0,1,0,0|3,0,0]=4 5915 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)N 7a_200009815850_100000744528 [0,0,0,1,0,0|3,0,0]=4 5916 B14R1.96 NC(=O)CCCN1CCCCC1CO 269982a_100000210821_100102525003 [0,0,0,1,0,0|3,0,0]=4 5917 B14R1.96 NC(=O)CCCN1CCCCC1CO 34a_100000210821_100102525003 [0,0,0,1,0,0|3,0,0]=4 5918 B14R1.96 NCC1CCCCC1OCCC(=O)N 34a_100011216029_100000731001 [0,0,0,1,0,0|3,0,0]=4 5919 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000735457 [0,0,0,1,0,0|3,0,0]=4 5920 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 34a_100000745186_100009817362 [0,0,0,1,0,0|3,0,0]=4 5921 B14R1.108 CCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000749056 [0,0,0,1,0,0|2,0,0]=3 5922 B14R1.108 CCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000749056 [0,0,0,1,0,0|3,0,0]=4 5923 B14R1.108 CCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000749056 [0,0,0,1,0,0|3,0,0]=4 5924 B14R1.108 CCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000749056 [0,0,0,1,0,0|3,0,0]=4 5925 B14R1.108 CCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000749056 [0,0,0,1,0,0|3,0,0]=4 5926 B14R1.108 CCC1CCCN1CCCCB(O)O 2230a_100000754278_200009817182 [0,0,0,1,0,0|2,0,1]=4 5927 B14R1.108 CCC1CCCN1CCCCB(O)O 269982a_100000754278_200009817182 [0,0,0,1,0,0|2,0,1]=4 5928 B14R1.108 CCC1CCCN1CCCCB(O)O 34a_100000754278_200009817182 [0,0,0,1,0,0|2,0,1]=4 5929 B14R1.108 CCC1CCCN1CCCCC(=O)C 269982a_100000754278_100000735457 [0,0,0,1,0,0|2,0,0]=3 5930 B14R1.108 CCC1CCCN1CCCCC(=O)C 34a_100000754278_100009817362 [0,0,0,1,0,0|2,0,0]=3 5931 B14R1.108 CCC1CCCN1CCCOC(=O)C 269982a_100000754278_100000042594 [0,0,0,1,0,0|3,0,0]=4 5932 B14R1.108 CCC1CCCN1CCCOC(=O)C 34a_100000754278_100000042594 [0,0,0,1,0,0|3,0,0]=4 5933 B14R1.108 CCC1CCCN1CCCSC(=O)C 2230a_100000754278_100000038929 [0,0,0,1,0,0|3,0,0]=4 5934 B14R1.108 CCC1CCCN1CCCSC(=O)C 269982a_100000754278_100000038929 [0,0,0,1,0,0|3,0,0]=4 5935 B14R1.108 CCC1CCCN1CCCSC(=O)C 34a_100000754278_100000038929 [0,0,0,1,0,0|3,0,0]=4 5936 B14R1.108 CCC1CCCN1CCOCC(=O)N 2230a_100000754278_100000076697 [0,0,0,1,0,0|3,0,0]=4 5937 B14R1.108 CCC1CCCN1CCOCC(=O)N 269982a_100000754278_100000076697 [0,0,0,1,0,0|3,0,0]=4 5938 B14R1.108 CCC1CCCN1CCOCC(=O)N 34a_100000754278_100000076697 [0,0,0,1,0,0|3,0,0]=4 5939 B14R1.108 CCN1CCCC1CNCCC(=O)N 2230a_100000211693_100000744528 [0,0,0,1,0,0|3,0,0]=4 5940 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)C 7a_100011739246_100000053229 [0,0,0,1,0,0|3,0,0]=4 5941 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)N 34a_100011739246_100000731001 [0,0,0,1,0,0|3,0,0]=4 5942 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)N 7a_100011739246_100000744528 [0,0,0,1,0,0|3,0,0]=4 5943 B14R1.122 CCCCCCCCN1CCC(C1)O 2230a_100011215560_100000210759 [0,0,0,1,0,0|2,0,1]=4 5944 B14R1.122 CCCCCCCCN1CCC(C1)O 269982a_100011215560_100000210759 [0,0,0,1,0,0|2,0,1]=4 5945 B14R1.122 CCCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210759 [0,0,0,1,0,0|3,0,0]=4 5946 B14R1.122 CCCCCCCNC1CCC(C1)O 270004a_100000229938_100012614533 [0,0,0,1,0,0|2,0,1]=4 5947 B14R1.122 CCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210681 [0,0,0,1,0,0|3,0,0]=4 5948 B14R1.122 CCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210681 [0,0,0,1,0,0|2,0,1]=4 5949 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [0,0,0,1,0,0|2,0,0]=3 5950 B14R1.122 CCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210614 [0,0,0,1,0,0|3,0,0]=4 5951 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [0,0,0,1,0,0|2,0,0]=3 5952 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [0,0,0,1,0,0|2,0,0]=3 5953 B14R1.122 CCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210314 [0,0,0,1,0,0|3,0,0]=4 5954 B14R1.122 CCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210314 [0,0,0,1,0,0|3,0,0]=4 5955 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [0,0,0,1,0,0|2,0,0]=3 5956 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [0,0,0,1,0,0|2,0,0]=3 5957 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [0,0,0,1,0,0|2,0,0]=3 5958 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [0,0,0,1,0,0|2,0,0]=3 5959 B14R1.122 CCCCCCNC[C@H]1COC(=O)N1 2230a_100000210581_100015307671 [0,0,0,1,0,0|3,0,0]=4 5960 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [0,0,0,1,0,0|2,0,0]=3 5961 B14R1.122 CCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210314 [0,0,0,1,0,0|3,0,0]=4 5962 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [0,0,0,1,0,0|2,0,0]=3 5963 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [0,0,0,1,0,0|2,0,0]=3 5964 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [0,0,0,1,0,0|2,0,0]=3 5965 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [0,0,0,1,0,0|2,0,0]=3 5966 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [0,0,0,1,0,0|2,0,0]=3 5967 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 34a_100000210259_100015307671 [0,0,0,1,0,0|3,0,0]=4 5968 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 7a_100000210259_100015307671 [0,0,0,1,0,0|3,0,0]=4 5969 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [0,0,0,1,0,0|2,0,0]=3 5970 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [0,0,0,1,0,0|2,0,0]=3 5971 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [0,0,0,1,0,0|2,0,0]=3 5972 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [0,0,0,1,0,0|2,0,0]=3 5973 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [0,0,0,1,0,0|2,0,0]=3 5974 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [0,0,0,1,0,0|2,0,0]=3 5975 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100000210314_100015307671 [0,0,0,1,0,0|3,0,0]=4 5976 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210757 [0,0,0,1,0,0|3,0,0]=4 5977 B14R1.122 CCCCCOCCC1COS(=O)O1 7a_100000210253_100009840081 [0,0,0,1,0,0|3,0,0]=4 5978 B14R1.122 CCCCCSCCC1COS(=O)O1 62a_100000210326_100009840081 [0,0,0,1,0,0|3,0,0]=4 5979 B14R1.122 CCCCOCCOC1CCC(=O)C1 34a_100012614533_100000743108 [0,0,0,1,0,0|3,0,0]=4 5980 B14R1.122 CCCCOCCOC1COC(=O)O1 34a_100000210238_100000032252 [0,0,0,1,0,0|3,0,0]=4 5981 B14R1.122 CCCCOCCSC1COC(=O)O1 62a_100000743108_100000032252 [0,0,0,1,0,0|3,0,0]=4 5982 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011995733 [0,0,0,1,0,0|3,0,0]=4 5983 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 34a_100015423886_100011995733 [0,0,0,1,0,0|3,0,0]=4 5984 B14R1.122 CCCCOCOCC1CCC(=O)N1 34a_100000737831_100011995733 [0,0,0,1,0,0|3,0,0]=4 5985 B14R1.122 CCCCOCOCC1CNC(=O)O1 34a_100011315639_100011995733 [0,0,0,1,0,0|3,0,0]=4 5986 B14R1.122 CCCCOCSCC1CNC(=O)O1 62a_100000181169_100011995733 [0,0,0,1,0,0|3,0,0]=4 5987 B14R1.122 CCCCOCSCC1CNC(=O)O1 62a_100011995733_100000181169 [0,0,0,1,0,0|3,0,0]=4 5988 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100000073702_100011995733 [0,0,0,1,0,0|3,0,0]=4 5989 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100011995733_100000073702 [0,0,0,1,0,0|3,0,0]=4 5990 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100011995733_100015189358 [0,0,0,1,0,0|3,0,0]=4 5991 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011995733 [0,0,0,1,0,0|3,0,0]=4 5992 B14R1.122 CCCCSCCOC1COC(=O)O1 34a_200000230436_100000032252 [0,0,0,1,0,0|3,0,0]=4 5993 B14R1.122 CCCOCCCNC1COC(=O)O1 34a_100011217757_100000032252 [0,0,0,1,0,0|3,0,0]=4 5994 B14R1.122 CCCOCCNCC1CNC(=O)O1 2230a_100161115042_100000181169 [0,0,0,1,0,0|3,0,0]=4 5995 B14R1.122 CCCOCCNCC1CNC(=O)O1 34a_100161115042_100000181169 [0,0,0,1,0,0|3,0,0]=4 5996 B14R1.122 CCCOCCNCC1COC(=O)O1 34a_100161115042_100000073702 [0,0,0,1,0,0|3,0,0]=4 5997 B14R1.122 CCCOCCNC[C@@H]1CCC(=O)N1 2230a_100161115042_100015189358 [0,0,0,1,0,0|3,0,0]=4 5998 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215938 [0,0,0,1,0,0|3,0,0]=4 5999 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011215938 [0,0,0,1,0,0|3,0,0]=4 6000 B14R1.122 CCCOCCOCC1CCC(=O)N1 34a_100000737831_100011215938 [0,0,0,1,0,0|3,0,0]=4 6001 B14R1.122 CCCOCCOCC1CNC(=O)O1 34a_100000752267_100000181169 [0,0,0,1,0,0|3,0,0]=4 6002 B14R1.122 CCCOCCOCC1CNC(=O)O1 34a_100011315639_100011215938 [0,0,0,1,0,0|3,0,0]=4 6003 B14R1.122 CCCOCCOCC1CNC(=O)O1 7a_100000752267_100000181169 [0,0,0,1,0,0|3,0,0]=4 6004 B14R1.122 CCCOCCOCC1COC(=O)O1 34a_100000752267_100000073702 [0,0,0,1,0,0|3,0,0]=4 6005 B14R1.122 CCCOCCOC[C@@H]1CCC(=O)N1 7a_100000752267_100015189358 [0,0,0,1,0,0|3,0,0]=4 6006 B14R1.122 CCCOCCSCC1CNC(=O)O1 62a_100000181169_100011215938 [0,0,0,1,0,0|3,0,0]=4 6007 B14R1.122 CCCOCCSCC1CNC(=O)O1 62a_100011215938_100000181169 [0,0,0,1,0,0|3,0,0]=4 6008 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100000073702_100011215938 [0,0,0,1,0,0|3,0,0]=4 6009 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100011215938_100000073702 [0,0,0,1,0,0|3,0,0]=4 6010 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100011215938_100015189358 [0,0,0,1,0,0|3,0,0]=4 6011 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215938 [0,0,0,1,0,0|3,0,0]=4 6012 B14R1.122 CCCSCCNCC1CNC(=O)O1 2230a_100020603323_100000181169 [0,0,0,1,0,0|3,0,0]=4 6013 B14R1.122 CCCSCCNC[C@@H]1CCC(=O)N1 2230a_100020603323_100015189358 [0,0,0,1,0,0|3,0,0]=4 6014 B14R1.122 CCCSCCOCC1CNC(=O)O1 34a_200000230433_100000181169 [0,0,0,1,0,0|3,0,0]=4 6015 B14R1.122 CCCSCCOCC1CNC(=O)O1 7a_200000230433_100000181169 [0,0,0,1,0,0|3,0,0]=4 6016 B14R1.122 CCCSCCOCC1COC(=O)O1 34a_200000230433_100000073702 [0,0,0,1,0,0|3,0,0]=4 6017 B14R1.122 CCCSCCOC[C@@H]1CCC(=O)N1 7a_200000230433_100015189358 [0,0,0,1,0,0|3,0,0]=4 6018 B14R1.122 CCOCCCNCC1CNC(=O)O1 2230a_100000210961_100000181169 [0,0,0,1,0,0|3,0,0]=4 6019 B14R1.122 CCOCCCNCC1CNC(=O)O1 34a_100000210961_100000181169 [0,0,0,1,0,0|3,0,0]=4 6020 B14R1.122 CCOCCCNCC1COC(=O)O1 34a_100000210961_100000073702 [0,0,0,1,0,0|3,0,0]=4 6021 B14R1.122 CCOCCCNC[C@@H]1CCC(=O)N1 2230a_100000210961_100015189358 [0,0,0,1,0,0|3,0,0]=4 6022 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100012232248 [0,0,0,1,0,0|3,0,0]=4 6023 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100012232248 [0,0,0,1,0,0|3,0,0]=4 6024 B14R1.122 CCOCCCOCC1CCC(=O)N1 34a_100000737831_100012232248 [0,0,0,1,0,0|3,0,0]=4 6025 B14R1.122 CCOCCCOCC1CNC(=O)O1 34a_100000757476_100000181169 [0,0,0,1,0,0|3,0,0]=4 6026 B14R1.122 CCOCCCOCC1CNC(=O)O1 34a_100011315639_100012232248 [0,0,0,1,0,0|3,0,0]=4 6027 B14R1.122 CCOCCCOCC1CNC(=O)O1 7a_100000757476_100000181169 [0,0,0,1,0,0|3,0,0]=4 6028 B14R1.122 CCOCCCOCC1COC(=O)O1 34a_100000757476_100000073702 [0,0,0,1,0,0|3,0,0]=4 6029 B14R1.122 CCOCCCOC[C@@H]1CCC(=O)N1 7a_100000757476_100015189358 [0,0,0,1,0,0|3,0,0]=4 6030 B14R1.122 CCOCCCSCC1CNC(=O)O1 62a_100000181169_100012232248 [0,0,0,1,0,0|3,0,0]=4 6031 B14R1.122 CCOCCCSCC1CNC(=O)O1 62a_100012232248_100000181169 [0,0,0,1,0,0|3,0,0]=4 6032 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100000073702_100012232248 [0,0,0,1,0,0|3,0,0]=4 6033 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100012232248_100000073702 [0,0,0,1,0,0|3,0,0]=4 6034 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100012232248_100015189358 [0,0,0,1,0,0|3,0,0]=4 6035 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100012232248 [0,0,0,1,0,0|3,0,0]=4 6036 B14R1.122 CCSCCCOCC1CNC(=O)O1 34a_100011216438_100000181169 [0,0,0,1,0,0|3,0,0]=4 6037 B14R1.122 CCSCCCOCC1CNC(=O)O1 7a_100011216438_100000181169 [0,0,0,1,0,0|3,0,0]=4 6038 B14R1.122 CCSCCCOCC1COC(=O)O1 34a_100011216438_100000073702 [0,0,0,1,0,0|3,0,0]=4 6039 B14R1.122 CCSCCCOC[C@@H]1CCC(=O)N1 7a_100011216438_100015189358 [0,0,0,1,0,0|3,0,0]=4 6040 B14R1.122 CNCCCCCOC1COC(=O)O1 34a_100000722520_100000032252 [0,0,0,1,0,0|3,0,0]=4 6041 B14R1.122 COCCCCCNC1COC(=O)O1 34a_100000747528_100000032252 [0,0,0,1,0,0|3,0,0]=4 6042 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000730899 [0,0,0,1,0,0|3,0,0]=4 6043 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000755781 [0,0,0,1,0,0|3,0,0]=4 6044 B14R1.122 COCCCCOCC1CCC(=O)N1 34a_100000737831_100000755781 [0,0,0,1,0,0|3,0,0]=4 6045 B14R1.122 COCCCCOCC1CNC(=O)O1 34a_100000740925_100000181169 [0,0,0,1,0,0|3,0,0]=4 6046 B14R1.122 COCCCCOCC1CNC(=O)O1 34a_100011315639_100000755781 [0,0,0,1,0,0|3,0,0]=4 6047 B14R1.122 COCCCCOCC1COC(=O)O1 34a_100000740925_100000073702 [0,0,0,1,0,0|3,0,0]=4 6048 B14R1.122 COCCCCSCC1CNC(=O)O1 62a_100000181169_100000730899 [0,0,0,1,0,0|3,0,0]=4 6049 B14R1.122 COCCCCSCC1CNC(=O)O1 62a_100000730899_100000181169 [0,0,0,1,0,0|3,0,0]=4 6050 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000073702_100000730899 [0,0,0,1,0,0|3,0,0]=4 6051 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000730899_100000073702 [0,0,0,1,0,0|3,0,0]=4 6052 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100000730899_100015189358 [0,0,0,1,0,0|3,0,0]=4 6053 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000730899 [0,0,0,1,0,0|3,0,0]=4 6054 B14R1.122 CSCCCCOCC1CNC(=O)O1 34a_100011217163_100000181169 [0,0,0,1,0,0|3,0,0]=4 6055 B14R1.122 CSCCCCOCC1CNC(=O)O1 7a_100011217163_100000181169 [0,0,0,1,0,0|3,0,0]=4 6056 B14R1.122 CSCCCCOCC1COC(=O)O1 34a_100011217163_100000073702 [0,0,0,1,0,0|3,0,0]=4 6057 B14R1.122 CSCCCCOC[C@@H]1CCC(=O)N1 7a_100011217163_100015189358 [0,0,0,1,0,0|3,0,0]=4 6058 B14R1.122 NCCCCCCOC1COC(=O)O1 34a_100000686447_100000032252 [0,0,0,1,0,0|3,0,0]=4 6059 B14R1.122 NCCCCCOCC1CNC(=O)O1 34a_100000762737_100000181169 [0,0,0,1,0,0|3,0,0]=4 6060 B14R1.122 NCCCCCOCC1COC(=O)O1 34a_100000762737_100000073702 [0,0,0,1,0,0|3,0,0]=4 6061 B14R1.122 O=C1CCC(C1)OCCCCCCF 34a_100012614533_100015922095 [0,0,0,1,0,0|3,0,0]=4 6062 B14R1.122 O=C1CCC(C1)OCCCCCCO 34a_100012614533_100000766143 [0,0,0,1,0,0|3,0,0]=4 6063 B14R1.122 O=C1CCC(N1)COCCCCCF 34a_100000737831_100000729378 [0,0,0,1,0,0|3,0,0]=4 6064 B14R1.122 O=C1CCC(N1)COCCCCCO 34a_100000737831_100000746330 [0,0,0,1,0,0|3,0,0]=4 6065 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 2230a_100015423886_100000729378 [0,0,0,1,0,0|3,0,0]=4 6066 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 34a_100015423886_100000729378 [0,0,0,1,0,0|3,0,0]=4 6067 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 2230a_100015423886_100000746330 [0,0,0,1,0,0|3,0,0]=4 6068 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 34a_100015423886_100000746330 [0,0,0,1,0,0|3,0,0]=4 6069 B14R1.122 O=C1CC[C@H](N1)CNCCCCCO 2230a_100000762737_100015189358 [0,0,0,1,0,0|3,0,0]=4 6070 B14R1.122 O=C1CC[C@H](N1)COCCCCCBr 7a_100000746331_100015189358 [0,0,0,1,0,0|3,0,0]=4 6071 B14R1.122 O=C1CC[C@H](N1)COCCCCCCl 7a_100000746330_100015189358 [0,0,0,1,0,0|3,0,0]=4 6072 B14R1.122 O=C1CC[C@H](N1)COCCCCCI 7a_200012148887_100015189358 [0,0,0,1,0,0|3,0,0]=4 6073 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100000729378_100015189358 [0,0,0,1,0,0|3,0,0]=4 6074 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100015189358_100000729378 [0,0,0,1,0,0|3,0,0]=4 6075 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100000746330_100015189358 [0,0,0,1,0,0|3,0,0]=4 6076 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100015189358_100000746330 [0,0,0,1,0,0|3,0,0]=4 6077 B14R1.122 O=C1NCC(O1)CNCCCCCO 2230a_100000762737_100000181169 [0,0,0,1,0,0|3,0,0]=4 6078 B14R1.122 O=C1NCC(O1)CNCCCCCO 34a_100000762737_100000181169 [0,0,0,1,0,0|3,0,0]=4 6079 B14R1.122 O=C1NCC(O1)COCCCCCBr 34a_100000746331_100000181169 [0,0,0,1,0,0|3,0,0]=4 6080 B14R1.122 O=C1NCC(O1)COCCCCCBr 7a_100000746331_100000181169 [0,0,0,1,0,0|3,0,0]=4 6081 B14R1.122 O=C1NCC(O1)COCCCCCCl 34a_100000746330_100000181169 [0,0,0,1,0,0|3,0,0]=4 6082 B14R1.122 O=C1NCC(O1)COCCCCCCl 7a_100000746330_100000181169 [0,0,0,1,0,0|3,0,0]=4 6083 B14R1.122 O=C1NCC(O1)COCCCCCF 34a_100011315639_100000729378 [0,0,0,1,0,0|3,0,0]=4 6084 B14R1.122 O=C1NCC(O1)COCCCCCI 34a_200012148887_100000181169 [0,0,0,1,0,0|3,0,0]=4 6085 B14R1.122 O=C1NCC(O1)COCCCCCI 7a_200012148887_100000181169 [0,0,0,1,0,0|3,0,0]=4 6086 B14R1.122 O=C1NCC(O1)COCCCCCO 34a_100011315639_100000746330 [0,0,0,1,0,0|3,0,0]=4 6087 B14R1.122 O=C1NCC(O1)CSCCCCCF 62a_100000181169_100000729378 [0,0,0,1,0,0|3,0,0]=4 6088 B14R1.122 O=C1NCC(O1)CSCCCCCF 62a_100000729378_100000181169 [0,0,0,1,0,0|3,0,0]=4 6089 B14R1.122 O=C1NCC(O1)CSCCCCCO 62a_100000181169_100000746330 [0,0,0,1,0,0|3,0,0]=4 6090 B14R1.122 O=C1NCC(O1)CSCCCCCO 62a_100000746330_100000181169 [0,0,0,1,0,0|3,0,0]=4 6091 B14R1.122 O=C1OCC(O1)CNCCCCCO 34a_100000762737_100000073702 [0,0,0,1,0,0|3,0,0]=4 6092 B14R1.122 O=C1OCC(O1)COCCCCCBr 34a_100000746331_100000073702 [0,0,0,1,0,0|3,0,0]=4 6093 B14R1.122 O=C1OCC(O1)COCCCCCCl 34a_100000746330_100000073702 [0,0,0,1,0,0|3,0,0]=4 6094 B14R1.122 O=C1OCC(O1)COCCCCCI 34a_200012148887_100000073702 [0,0,0,1,0,0|3,0,0]=4 6095 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000073702_100000729378 [0,0,0,1,0,0|3,0,0]=4 6096 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000729378_100000073702 [0,0,0,1,0,0|3,0,0]=4 6097 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000073702_100000746330 [0,0,0,1,0,0|3,0,0]=4 6098 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000746330_100000073702 [0,0,0,1,0,0|3,0,0]=4 6099 B14R1.122 O=C1OCC(O1)NCCCCCCO 34a_100000686447_100000032252 [0,0,0,1,0,0|3,0,0]=4 6100 B14R1.122 O=C1OCC(O1)OCCCCCCBr 34a_100011215345_100000032252 [0,0,0,1,0,0|3,0,0]=4 6101 B14R1.122 O=C1OCC(O1)OCCCCCCCl 34a_100000766143_100000032252 [0,0,0,1,0,0|3,0,0]=4 6102 B14R1.122 O=C1OCC(O1)OCCCCCCF 34a_100000732779_100000032252 [0,0,0,1,0,0|3,0,0]=4 6103 B14R1.122 O=C1OCC(O1)SCCCCCCF 62a_100015922095_100000032252 [0,0,0,1,0,0|3,0,0]=4 6104 B14R1.122 O=C1OCC(O1)SCCCCCCO 62a_100000766143_100000032252 [0,0,0,1,0,0|3,0,0]=4 6105 B14R1.159 CC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000735457 [0,0,0,1,0,0|2,0,0]=3 6106 B14R1.159 CC(=O)CCCCN1CCCCC1C 34a_100000211376_100009817362 [0,0,0,1,0,0|2,0,0]=3 6107 B14R1.159 CC(=O)CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000735457 [0,0,0,1,0,0|3,0,0]=4 6108 B14R1.159 CC(=O)CCCCN1CCOC[C@@H]1C 34a_100009815349_100009817362 [0,0,0,1,0,0|3,0,0]=4 6109 B14R1.159 CC(=O)CCCNC1CCCCC1C 34a_100000211402_100000685027 [0,0,0,1,0,0|2,0,0]=3 6110 B14R1.159 CC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000685027 [0,0,0,1,0,0|3,0,0]=4 6111 B14R1.159 CC(=O)CCCOC1CCCCC1C 34a_100000211207_100000685027 [0,0,0,1,0,0|2,0,0]=3 6112 B14R1.159 CC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215641 [0,0,0,1,0,0|2,0,0]=3 6113 B14R1.159 CC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100000685027 [0,0,0,1,0,0|3,0,0]=4 6114 B14R1.159 CC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100011215641 [0,0,0,1,0,0|3,0,0]=4 6115 B14R1.159 CC(=O)CCCOC1CCCCC1F 34a_100000759063_100015423560 [0,0,0,1,0,0|3,0,0]=4 6116 B14R1.159 CC(=O)CCCOC1CCCCC1O 34a_100000759063_100000038908 [0,0,0,1,0,0|3,0,0]=4 6117 B14R1.159 CC(=O)CCCOC1CCNCC1C 34a_100011998114_100000685027 [0,0,0,1,0,0|3,0,0]=4 6118 B14R1.159 CC(=O)CCCOC1CNCCC1C 34a_100000696640_100000685027 [0,0,0,1,0,0|3,0,0]=4 6119 B14R1.159 CC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000685027 [0,0,0,1,0,0|3,0,0]=4 6120 B14R1.159 CC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215641 [0,0,0,1,0,0|3,0,0]=4 6121 B14R1.159 CC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000685027 [0,0,0,1,0,0|3,0,0]=4 6122 B14R1.159 CC(=O)CCCSC1CCCCC1F 62a_100011215641_100015423560 [0,0,0,1,0,0|3,0,0]=4 6123 B14R1.159 CC(=O)CCCSC1CCCCC1F 62a_100015423560_100011215641 [0,0,0,1,0,0|3,0,0]=4 6124 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100000038908_100011215641 [0,0,0,1,0,0|3,0,0]=4 6125 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100011215641_100000038908 [0,0,0,1,0,0|3,0,0]=4 6126 B14R1.159 CC(=O)CCOCC1CCCCN1C 34a_100000759926_100015186950 [0,0,0,1,0,0|3,0,0]=4 6127 B14R1.159 CC(=O)CCOCC1CCCCN1C 7a_100000759926_100015185383 [0,0,0,1,0,0|3,0,0]=4 6128 B14R1.159 CC(=O)CCSCC1CCCCN1C 62a_100000053229_100015185383 [0,0,0,1,0,0|3,0,0]=4 6129 B14R1.159 CC(=O)CCSCC1CCCCN1C 62a_100015185383_100000053229 [0,0,0,1,0,0|3,0,0]=4 6130 B14R1.159 CC(=O)COCCC1CCCCN1C 34a_100000211253_100000211948 [0,0,0,1,0,0|3,0,0]=4 6131 B14R1.159 CC(=O)NCCCN1CCCCC1C 240690a_100000212276_100015343762 [0,0,0,1,0,0|3,0,0]=4 6132 B14R1.159 CC(=O)NCCCN1CCCCC1C 527a_100000212276_100103153847 [0,0,0,1,0,0|3,0,0]=4 6133 B14R1.159 CC(=O)NCCNC1CCCCC1C 2230a_100000211402_100000189650 [0,0,0,1,0,0|3,0,0]=4 6134 B14R1.159 CC(=O)NCCNC1CCCCC1C 269862a_100000209853_100000210921 [0,0,0,1,0,0|3,0,0]=4 6135 B14R1.159 CC(=O)NCCOC1CCCCC1C 7a_100000211207_100000189650 [0,0,0,1,0,0|3,0,0]=4 6136 B14R1.159 CC(=O)OCCCN1CCCCC1C 269982a_100000211376_100000042594 [0,0,0,1,0,0|3,0,0]=4 6137 B14R1.159 CC(=O)OCCCN1CCCCC1C 34a_100000211376_100000042594 [0,0,0,1,0,0|3,0,0]=4 6138 B14R1.159 CC(=O)OCCNC1CCCCC1C 34a_100000211402_100009814007 [0,0,0,1,0,0|3,0,0]=4 6139 B14R1.159 CC(=O)OCCOC1CCCCC1C 34a_100000211207_100009814007 [0,0,0,1,0,0|3,0,0]=4 6140 B14R1.159 CC(=O)OCCOC1CCCCC1C 7a_100000211207_100009814007 [0,0,0,1,0,0|3,0,0]=4 6141 B14R1.159 CC(=O)SCCCN1CCCCC1C 2230a_100000211376_100000038929 [0,0,0,1,0,0|3,0,0]=4 6142 B14R1.159 CC(=O)SCCCN1CCCCC1C 269982a_100000211376_100000038929 [0,0,0,1,0,0|3,0,0]=4 6143 B14R1.159 CC(=O)SCCCN1CCCCC1C 34a_100000211376_100000038929 [0,0,0,1,0,0|3,0,0]=4 6144 B14R1.159 CC(=O)SCCNC1CCCCC1C 269862a_100020647217_100000210921 [0,0,0,1,0,0|3,0,0]=4 6145 B14R1.159 CC(O)CCCNC1CCCCC1C 2230a_100000211402_200000718107 [0,0,0,1,0,0|2,0,1]=4 6146 B14R1.159 CC(O)CCCNC1CCCCC1C 34a_100000211402_200000718107 [0,0,0,1,0,0|2,0,1]=4 6147 B14R1.159 CC(O)CCCOC1CCCCC1C 34a_100000211207_200000718107 [0,0,0,1,0,0|2,0,1]=4 6148 B14R1.159 CC(O)CCCOC1CCCCC1C 7a_100000211207_200000718107 [0,0,0,1,0,0|2,0,1]=4 6149 B14R1.159 CC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000210921 [0,0,0,1,0,0|2,0,0]=3 6150 B14R1.159 CC1CCCCC1NCCCC(=O)N 34a_100000211402_100102525003 [0,0,0,1,0,0|2,0,0]=3 6151 B14R1.159 CC1CCCCC1NCCCS(=O)C 270004a_200000753449_100000210921 [0,0,0,1,0,0|3,0,0]=4 6152 B14R1.159 CC1CCCCC1NCCNC(=O)N 2230a_100000211402_200000034859 [0,0,0,1,0,0|3,0,0]=4 6153 B14R1.159 CC1CCCCC1NCCNC(=O)N 269862a_100020590234_100000210921 [0,0,0,1,0,0|3,0,0]=4 6154 B14R1.159 CC1CCCCC1NCCOC(=O)N 34a_100000211402_200011214921 [0,0,0,1,0,0|3,0,0]=4 6155 B14R1.159 CC1CCCCC1OCCCC(=O)N 34a_100000211207_100102525003 [0,0,0,1,0,0|2,0,0]=3 6156 B14R1.159 CC1CCCCC1OCCCC(=O)N 7a_100000211207_100102525003 [0,0,0,1,0,0|2,0,0]=3 6157 B14R1.159 CC1CCCCC1OCCNC(=O)N 7a_100000211207_200000034859 [0,0,0,1,0,0|3,0,0]=4 6158 B14R1.159 CC1CCCCC1OCCOC(=O)N 34a_100000211207_200011214921 [0,0,0,1,0,0|3,0,0]=4 6159 B14R1.159 CC1CCCCC1OCCOC(=O)N 7a_100000211207_200011214921 [0,0,0,1,0,0|3,0,0]=4 6160 B14R1.159 CC1CCCCN1CCCCB(O)O 2230a_100000211376_200009817182 [0,0,0,1,0,0|2,0,1]=4 6161 B14R1.159 CC1CCCCN1CCCCB(O)O 269982a_100000211376_200009817182 [0,0,0,1,0,0|2,0,1]=4 6162 B14R1.159 CC1CCCCN1CCCCB(O)O 34a_100000211376_200009817182 [0,0,0,1,0,0|2,0,1]=4 6163 B14R1.159 CC1CCCCN1CCNCC(=O)N 2230a_100000739827_100000747473 [0,0,0,1,0,0|3,0,0]=4 6164 B14R1.159 CC1CCCCN1CCNCC(=O)N 34a_100000739827_100000187820 [0,0,0,1,0,0|3,0,0]=4 6165 B14R1.159 CC1CCCCN1CCNCC(=O)[O-] 34a_100000739827_100020667443 [0,0,0,1,0,0|2,0,1]=4 6166 B14R1.159 CC1CCCCN1CCOCC(=O)N 2230a_100000211376_100000076697 [0,0,0,1,0,0|3,0,0]=4 6167 B14R1.159 CC1CCCCN1CCOCC(=O)N 269982a_100000211376_100000076697 [0,0,0,1,0,0|3,0,0]=4 6168 B14R1.159 CC1CCCCN1CCOCC(=O)N 34a_100000211376_100000076697 [0,0,0,1,0,0|3,0,0]=4 6169 B14R1.159 CC1CCCCN1CCOCC(=O)N 34a_100011305533_100000187820 [0,0,0,1,0,0|3,0,0]=4 6170 B14R1.159 CC1CCCCN1CCOCC(=O)[O-] 34a_100011305533_100020667443 [0,0,0,1,0,0|2,0,1]=4 6171 B14R1.159 CC1CCNCC1OCCCC(=O)N 34a_100000696640_100102525003 [0,0,0,1,0,0|3,0,0]=4 6172 B14R1.159 CC1CNCCC1OCCCC(=O)N 34a_100011998114_100102525003 [0,0,0,1,0,0|3,0,0]=4 6173 B14R1.159 CN1CCCCC1CCNCC(=O)N 2230a_100000711301_100000211948 [0,0,0,1,0,0|3,0,0]=4 6174 B14R1.159 CN1CCCCC1CCNCC(=O)O 269956a_100016091260_100000211948 [0,0,0,1,0,0|2,0,0]=3 6175 B14R1.159 CN1CCCCC1CCSCC(=O)N 62a_100000211948_100000747473 [0,0,0,1,0,0|3,0,0]=4 6176 B14R1.159 CN1CCCCC1CCSCC(=O)N 62a_100000747473_100000211948 [0,0,0,1,0,0|3,0,0]=4 6177 B14R1.159 CN1CCCCC1CCSCC(=O)[O-] 62a_100000211948_100020667443 [0,0,0,1,0,0|2,0,1]=4 6178 B14R1.159 CN1CCCCC1CCSCC(=O)[O-] 62a_100020667443_100000211948 [0,0,0,1,0,0|2,0,1]=4 6179 B14R1.159 CN1CCCCC1CNCCC(=O)N 34a_100011228421_100000731001 [0,0,0,1,0,0|3,0,0]=4 6180 B14R1.159 CN1CCCCC1CNOCC(=O)O 269956a_100000106656_100015185383 [0,0,0,1,0,0|3,0,0]=4 6181 B14R1.159 CN1CCCCC1COCCC(=O)N 34a_100000225079_100000731001 [0,0,0,1,0,0|3,0,0]=4 6182 B14R1.159 CN1CCCCC1COCCC(=O)N 34a_100000757172_100015186950 [0,0,0,1,0,0|3,0,0]=4 6183 B14R1.159 CN1CCCCC1COCCC(=O)N 7a_100000757172_100015185383 [0,0,0,1,0,0|3,0,0]=4 6184 B14R1.159 CN1CCCCC1CSCCC(=O)N 62a_100000744528_100015185383 [0,0,0,1,0,0|3,0,0]=4 6185 B14R1.159 CN1CCCCC1CSCCC(=O)N 62a_100015185383_100000744528 [0,0,0,1,0,0|3,0,0]=4 6186 B14R1.159 NC(=O)CCCNC1CCCCC1F 34a_100000739312_100015423560 [0,0,0,1,0,0|3,0,0]=4 6187 B14R1.159 NC(=O)CCCNC1CCCCC1O 34a_100000739312_100000038908 [0,0,0,1,0,0|3,0,0]=4 6188 B14R1.159 NC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100102525003 [0,0,0,1,0,0|3,0,0]=4 6189 B14R1.159 NC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100102525003 [0,0,0,1,0,0|3,0,0]=4 6190 B14R1.159 NC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100102525003 [0,0,0,1,0,0|3,0,0]=4 6191 B14R1.159 NC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100102525003 [0,0,0,1,0,0|3,0,0]=4 6192 B14R1.159 NC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100102525003 [0,0,0,1,0,0|3,0,0]=4 6193 B14R1.159 NC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100102525003 [0,0,0,1,0,0|3,0,0]=4 6194 B14R1.159 NC(=O)CCCSC1CCCCC1F 62a_100015423560_100102525003 [0,0,0,1,0,0|3,0,0]=4 6195 B14R1.159 NC(=O)CCCSC1CCCCC1F 62a_100102525003_100015423560 [0,0,0,1,0,0|3,0,0]=4 6196 B14R1.159 NC(=O)CCCSC1CCCCC1O 62a_100000038908_100102525003 [0,0,0,1,0,0|3,0,0]=4 6197 B14R1.159 NC(=O)CCCSC1CCCCC1O 62a_100102525003_100000038908 [0,0,0,1,0,0|3,0,0]=4 6198 B14R1.159 NC(=O)CCNCC1CCCCC1O 34a_100011216029_100000731001 [0,0,0,1,0,0|3,0,0]=4 6199 B14R1.168 CC(=O)CCCCOC1CCCC1C 34a_100011216460_100009817362 [0,0,0,1,0,0|2,0,0]=3 6200 B14R1.168 CC(=O)CCCCOC1CCCC1C 7a_100011216460_100000735457 [0,0,0,1,0,0|2,0,0]=3 6201 B14R1.168 CC(=O)CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817362 [0,0,0,1,0,0|3,0,0]=4 6202 B14R1.168 CC(=O)CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817362 [0,0,0,1,0,0|3,0,0]=4 6203 B14R1.168 CC(=O)CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009817362 [0,0,0,1,0,0|3,0,0]=4 6204 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_100000735457_200016002552 [0,0,0,1,0,0|3,0,0]=4 6205 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000735457 [0,0,0,1,0,0|3,0,0]=4 6206 B14R1.168 CC(=O)CCCOCC1CCCN1C 34a_100000743107_100000685027 [0,0,0,1,0,0|3,0,0]=4 6207 B14R1.168 CC(=O)CCOCCC1CCCN1C 34a_100000759926_100000005710 [0,0,0,1,0,0|3,0,0]=4 6208 B14R1.168 CC(=O)CCOCCC1CCCN1C 7a_100000759926_100000005710 [0,0,0,1,0,0|3,0,0]=4 6209 B14R1.168 CC(=O)CCOCCC1CCCN1C 7a_100011215177_100000053229 [0,0,0,1,0,0|3,0,0]=4 6210 B14R1.168 CC(=O)CCSCCC1CCCN1C 62a_100000005710_100000053229 [0,0,0,1,0,0|3,0,0]=4 6211 B14R1.168 CC(=O)CCSCCC1CCCN1C 62a_100000053229_100000005710 [0,0,0,1,0,0|3,0,0]=4 6212 B14R1.168 CC(=O)NCCCNC1CCCC1C 269862a_100000736810_100000752053 [0,0,0,1,0,0|3,0,0]=4 6213 B14R1.168 CC(=O)OCCCCN1CCC[C@@H]1C 269982a_100020605311_100000033659 [0,0,0,1,0,0|3,0,0]=4 6214 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 269982a_100015189458_100000033659 [0,0,0,1,0,0|3,0,0]=4 6215 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 34a_100015189458_100000033659 [0,0,0,1,0,0|3,0,0]=4 6216 B14R1.168 CC(=O)OCCCOC1CCCC1C 34a_100011216460_100000042594 [0,0,0,1,0,0|3,0,0]=4 6217 B14R1.168 CC(=O)OCCCOC1CCCC1C 7a_100011216460_100000042594 [0,0,0,1,0,0|3,0,0]=4 6218 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 2230a_100020605311_200010402107 [0,0,0,1,0,0|3,0,0]=4 6219 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 269982a_100020605311_200010402107 [0,0,0,1,0,0|3,0,0]=4 6220 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 2230a_100015189458_200010402107 [0,0,0,1,0,0|3,0,0]=4 6221 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 269982a_100015189458_200010402107 [0,0,0,1,0,0|3,0,0]=4 6222 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 34a_100015189458_200010402107 [0,0,0,1,0,0|3,0,0]=4 6223 B14R1.168 CC(=O)SCCCOC1CCCC1C 34a_100011216460_100000038929 [0,0,0,1,0,0|3,0,0]=4 6224 B14R1.168 CC(=O)SCCCOC1CCCC1C 7a_100011216460_100000038929 [0,0,0,1,0,0|3,0,0]=4 6225 B14R1.168 CC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000752053 [0,0,0,1,0,0|2,0,0]=3 6226 B14R1.168 CC1CCCC1OCCCCB(O)O 34a_100011216460_200009817182 [0,0,0,1,0,0|2,0,1]=4 6227 B14R1.168 CC1CCCC1OCCCCB(O)O 7a_100011216460_200009817182 [0,0,0,1,0,0|2,0,1]=4 6228 B14R1.168 CC1CCCC1OCCOCC(=O)N 34a_100011216460_100000076697 [0,0,0,1,0,0|3,0,0]=4 6229 B14R1.168 CC1CCCC1OCCOCC(=O)N 7a_100011216460_100000076697 [0,0,0,1,0,0|3,0,0]=4 6230 B14R1.168 CC1OCCC1NCCCCC(=O)N 270004a_100000696515_100000691750 [0,0,0,1,0,0|3,0,0]=4 6231 B14R1.168 CC1SCCN1CCCCCC(=O)N 2230a_200011216479_100009817443 [0,0,0,1,0,0|3,0,0]=4 6232 B14R1.168 CC1SCCN1CCCCCC(=O)N 269982a_200011216479_100009817443 [0,0,0,1,0,0|3,0,0]=4 6233 B14R1.168 CC1SCCN1CCCCCC(=O)N 34a_200011216479_100009817443 [0,0,0,1,0,0|3,0,0]=4 6234 B14R1.168 CN1CCCC1CCNOCC(=O)O 269956a_100000106656_100000005710 [0,0,0,1,0,0|3,0,0]=4 6235 B14R1.168 CN1CCCC1CCOCCC(=O)N 34a_100000757172_100000005710 [0,0,0,1,0,0|3,0,0]=4 6236 B14R1.168 CN1CCCC1CCOCCC(=O)N 34a_100011215177_100000731001 [0,0,0,1,0,0|3,0,0]=4 6237 B14R1.168 CN1CCCC1CCOCCC(=O)N 7a_100000757172_100000005710 [0,0,0,1,0,0|3,0,0]=4 6238 B14R1.168 CN1CCCC1CCOCCC(=O)N 7a_100011215177_100000744528 [0,0,0,1,0,0|3,0,0]=4 6239 B14R1.168 CN1CCCC1CCSCCC(=O)N 62a_100000005710_100000744528 [0,0,0,1,0,0|3,0,0]=4 6240 B14R1.168 CN1CCCC1CCSCCC(=O)N 62a_100000744528_100000005710 [0,0,0,1,0,0|3,0,0]=4 6241 B14R1.168 CN1CCCC1COCCCC(=O)N 34a_100000743107_100102525003 [0,0,0,1,0,0|3,0,0]=4 6242 B14R1.168 C[C@@H]1CCCN1CCCCCB(O)O 2230a_100015189458_200009817188 [0,0,0,1,0,0|2,0,1]=4 6243 B14R1.168 C[C@@H]1CCCN1CCCCCB(O)O 269982a_100015189458_200009817188 [0,0,0,1,0,0|2,0,1]=4 6244 B14R1.168 C[C@@H]1CCCN1CCCCCB(O)O 34a_100015189458_200009817188 [0,0,0,1,0,0|2,0,1]=4 6245 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 2230a_100015189458_100009817443 [0,0,0,1,0,0|2,0,0]=3 6246 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 269982a_100015189458_100009817443 [0,0,0,1,0,0|2,0,0]=3 6247 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 34a_100015189458_100009817443 [0,0,0,1,0,0|2,0,0]=3 6248 B14R1.168 C[C@H]1CCCN1CCCCCB(O)O 2230a_100020605311_200009817188 [0,0,0,1,0,0|2,0,1]=4 6249 B14R1.168 C[C@H]1CCCN1CCCCCB(O)O 269982a_100020605311_200009817188 [0,0,0,1,0,0|2,0,1]=4 6250 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 2230a_100020605311_100009817443 [0,0,0,1,0,0|2,0,0]=3 6251 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 269982a_100020605311_100009817443 [0,0,0,1,0,0|2,0,0]=3 6252 B14R1.168 O=C(O)COCCN[C@@H]1CCC[C@H]1O 269956a_100000700818_200016002552 [0,0,0,1,0,0|3,0,0]=4 6253 B14R1.221 CCCCCCCCCNCC1CO1 2230a_100000212291_100011216344 [0,0,0,1,0,0|2,0,1]=4 6254 B14R1.221 CCCCCCCCCNCC1CO1 34a_100000212291_102125554688 [0,0,0,1,0,0|2,0,1]=4 6255 B14R1.221 CCCCCCCCCOCC1CO1 34a_100000210712_102125554688 [0,0,0,1,0,0|2,0,1]=4 6256 B14R1.221 CCCCCCCCCOCC1CO1 7a_100000210712_102125554688 [0,0,0,1,0,0|2,0,1]=4 6257 B14R1.221 CCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100011214924 [0,0,0,1,0,0|2,0,1]=4 6258 B14R1.221 CCCCCCCCCOC[C@@H]1CO1 7a_100000210712_100000745022 [0,0,0,1,0,0|2,0,1]=4 6259 B14R1.221 CCCCCCCCCSCC1CO1 62a_102125554688_100000210670 [0,0,0,1,0,0|2,0,1]=4 6260 B14R1.221 CCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210670 [0,0,0,1,0,0|2,0,1]=4 6261 B14R1.221 CCCCCCCCNCCC1CO1 2230a_100000229939_100000732470 [0,0,0,1,0,0|2,0,1]=4 6262 B14R1.221 CCCCCCCCNCCC1CO1 34a_100000229939_100000732470 [0,0,0,1,0,0|2,0,1]=4 6263 B14R1.221 CCCCCCCCOCCC1CO1 34a_100000210232_100000732470 [0,0,0,1,0,0|2,0,1]=4 6264 B14R1.221 CCCCCCCCOCCC1CO1 7a_100000210232_100000732470 [0,0,0,1,0,0|2,0,1]=4 6265 B14R1.221 CCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210759 [0,0,0,1,0,0|2,0,1]=4 6266 B14R1.221 CCCCCCCCSCCC1CO1 62a_100000210759_100000732470 [0,0,0,1,0,0|2,0,1]=4 6267 B14R1.221 CCCCCCCCSCCC1CO1 62a_100000732470_100000210317 [0,0,0,1,0,0|2,0,1]=4 6268 B14R1.221 CCCCCCCNCCCC1CO1 2230a_100000229938_100000733510 [0,0,0,1,0,0|2,0,1]=4 6269 B14R1.221 CCCCCCCOCCCC1CO1 34a_100000210272_100000733510 [0,0,0,1,0,0|2,0,1]=4 6270 B14R1.221 CCCCCCCOCCCC1CO1 7a_100000210272_100000733510 [0,0,0,1,0,0|2,0,1]=4 6271 B14R1.221 CCCCCCCSCCCC1CO1 62a_100000210614_100000733510 [0,0,0,1,0,0|2,0,1]=4 6272 B14R1.221 CCCCCCCSCCCC1CO1 62a_100000733510_100000210316 [0,0,0,1,0,0|2,0,1]=4 6273 B14R1.233 C#CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100010269958 [0,0,0,1,0,0|1,0,2]=4 6274 B14R1.233 C=CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215482 [0,0,0,1,0,0|1,0,2]=4 6275 B14R1.233 CC/C=C\CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100015370543 [0,0,0,1,0,0|1,0,2]=4 6276 B14R1.233 CCCCCCC1CCCC1N(C)C 270004a_100102631434_100000189428 [0,0,0,1,0,0|3,0,0]=4 6277 B14R1.233 CCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210757 [0,0,0,1,0,0|1,0,2]=4 6278 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210314 [0,0,0,1,0,0|2,0,0]=3 6279 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [0,0,0,1,0,0|1,0,0]=2 6280 B14R1.233 CCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210757 [0,0,0,1,0,0|2,0,0]=3 6281 B14R1.233 CCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210757 [0,0,0,1,0,0|2,0,0]=3 6282 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011995733 [0,0,0,1,0,0|3,0,0]=4 6283 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011995733 [0,0,0,1,0,0|2,0,0]=3 6284 B14R1.233 CCCCOCN1CCSC1C(=O)O 269956a_100000035718_100011995733 [0,0,0,1,0,0|3,0,0]=4 6285 B14R1.233 CCCCOCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011995733 [0,0,0,1,0,0|3,0,0]=4 6286 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210210 [0,0,0,1,0,0|3,0,0]=4 6287 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210211 [0,0,0,1,0,0|3,0,0]=4 6288 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210210 [0,0,0,1,0,0|3,0,0]=4 6289 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210211 [0,0,0,1,0,0|3,0,0]=4 6290 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011215938 [0,0,0,1,0,0|3,0,0]=4 6291 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215938 [0,0,0,1,0,0|2,0,0]=3 6292 B14R1.233 CCCOCCN1CCSC1C(=O)O 269956a_100000035718_100011215938 [0,0,0,1,0,0|3,0,0]=4 6293 B14R1.233 CCCOCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011215938 [0,0,0,1,0,0|3,0,0]=4 6294 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100012232248 [0,0,0,1,0,0|3,0,0]=4 6295 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012232248 [0,0,0,1,0,0|2,0,0]=3 6296 B14R1.233 CCOCCCN1CCSC1C(=O)O 269956a_100000035718_100012232248 [0,0,0,1,0,0|3,0,0]=4 6297 B14R1.233 CCOCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100012232248 [0,0,0,1,0,0|3,0,0]=4 6298 B14R1.233 COCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000730899 [0,0,0,1,0,0|3,0,0]=4 6299 B14R1.233 COCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730899 [0,0,0,1,0,0|2,0,0]=3 6300 B14R1.233 COCCCCN1CCSC1C(=O)O 269956a_100000035718_100000730899 [0,0,0,1,0,0|3,0,0]=4 6301 B14R1.233 COCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000730899 [0,0,0,1,0,0|3,0,0]=4 6302 B14R1.233 COCCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000231047 [0,0,0,1,0,0|3,0,0]=4 6303 B14R1.233 N#CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011219923 [0,0,0,1,0,0|2,0,1]=4 6304 B14R1.233 NC(=O)[C@@H]1CCCN1CCCCCF 2230a_100000003125_100000729378 [0,0,0,1,0,0|3,0,0]=4 6305 B14R1.233 NC(=O)[C@@H]1CCCN1CCCCCO 2230a_100000003125_100000746330 [0,0,0,1,0,0|3,0,0]=4 6306 B14R1.233 O=C(O)C1SCCN1CCCCCF 269956a_100000035718_100000729378 [0,0,0,1,0,0|3,0,0]=4 6307 B14R1.233 O=C(O)C1SCCN1CCCCCO 269956a_100000035718_100000746330 [0,0,0,1,0,0|3,0,0]=4 6308 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCF 269956a_100000743916_100000729378 [0,0,0,1,0,0|2,0,0]=3 6309 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCO 269956a_100000743916_100000746330 [0,0,0,1,0,0|2,0,0]=3 6310 B14R1.233 O=C(O)[C@@H]1CCCN1CCOCCO 269956a_100000743916_100011215305 [0,0,0,1,0,0|3,0,0]=4 6311 B14R1.233 O=C(O)[C@@H]1CSCN1CCCCCF 269956a_100000743924_100000729378 [0,0,0,1,0,0|3,0,0]=4 6312 B14R1.233 O=C(O)[C@@H]1CSCN1CCCCCO 269956a_100000743924_100000746330 [0,0,0,1,0,0|3,0,0]=4 6313 B14R1.233 O=CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000139335 [0,0,0,1,0,0|2,0,1]=4 6314 B14R1.241 CC(=O)OCCCCOCC1CC1C 34a_100000744939_100000033659 [0,0,0,1,0,0|3,0,0]=4 6315 B14R1.241 CC(=O)OCCCCOCC1CC1C 7a_100000744939_100000033659 [0,0,0,1,0,0|3,0,0]=4 6316 B14R1.241 CC(=O)SCCCCOCC1CC1C 34a_100000744939_200010402107 [0,0,0,1,0,0|3,0,0]=4 6317 B14R1.241 CC(=O)SCCCCOCC1CC1C 7a_100000744939_200010402107 [0,0,0,1,0,0|3,0,0]=4 6318 B14R1.241 CC1CC1COCCCCCB(O)O 34a_100000744939_200009817188 [0,0,0,1,0,0|2,0,1]=4 6319 B14R1.241 CC1CC1COCCCCCB(O)O 7a_100000744939_200009817188 [0,0,0,1,0,0|2,0,1]=4 6320 B14R1.241 CC1CC1COCCCCCC(=O)N 34a_100000744939_100009817443 [0,0,0,1,0,0|2,0,0]=3 6321 B14R1.241 CC1CC1COCCCCCC(=O)N 7a_100000744939_100009817443 [0,0,0,1,0,0|2,0,0]=3 6322 B14R1.258 COCC1CCN1CCCCC(=O)C 269982a_100015195929_100000735457 [0,0,0,1,0,0|3,0,0]=4 6323 B14R1.258 COCC1CCN1CCCCC(=O)C 34a_100015195929_100009817362 [0,0,0,1,0,0|3,0,0]=4 6324 B14R1.325 CC(=O)OCCCCCN1CCC1C 269982a_100000755817_100000033007 [0,0,0,1,0,0|3,0,0]=4 6325 B14R1.325 CC(=O)OCCCCCN1CCC1C 34a_100000755817_100000033007 [0,0,0,1,0,0|3,0,0]=4 6326 B14R1.325 CC1CCN1CCCCCCB(O)O 269982a_100000755817_100009817187 [0,0,0,1,0,0|2,0,1]=4 6327 B14R1.325 CC1CCN1CCCCCCB(O)O 34a_100000755817_100009817187 [0,0,0,1,0,0|2,0,1]=4 6328 B14R1.422 C=C(Br)CCOCCC1CCCCC1 34a_100009813270_100011209188 [0,0,0,1,0,0|3,0,0]=4 6329 B14R1.422 C=C(C)CCNCCC1CCCCC1 2230a_100000738074_100000730704 [0,0,0,1,0,0|3,0,0]=4 6330 B14R1.422 C=C(C)CCNCCC1CCCCC1 34a_100000738074_100000730704 [0,0,0,1,0,0|3,0,0]=4 6331 B14R1.422 C=C(C)CCOCCC1CCCCC1 34a_100000764851_100011209188 [0,0,0,1,0,0|3,0,0]=4 6332 B14R1.422 C=C(C)CCOCCC1CCCCC1 34a_100011217863_100000730704 [0,0,0,1,0,0|3,0,0]=4 6333 B14R1.422 C=C(C)CCOCCC1CCCCC1 7a_100011217863_100000730704 [0,0,0,1,0,0|3,0,0]=4 6334 B14R1.422 C=C(C)CCSCCC1CCCCC1 62a_100000730704_100012355289 [0,0,0,1,0,0|3,0,0]=4 6335 B14R1.422 C=C(C)CCSCCC1CCCCC1 62a_100012355289_100000730704 [0,0,0,1,0,0|3,0,0]=4 6336 B14R1.422 C=C(C)CNCCCC1CCCCC1 2230a_100011211642_100000748629 [0,0,0,1,0,0|3,0,0]=4 6337 B14R1.422 C=C(C)CNCCCC1CCCCC1 34a_100011211642_100000748629 [0,0,0,1,0,0|3,0,0]=4 6338 B14R1.422 C=C(C)COCCCC1CCCCC1 34a_100000198086_100000748629 [0,0,0,1,0,0|3,0,0]=4 6339 B14R1.422 C=C(C)COCCCC1CCCCC1 34a_100000210245_100011713725 [0,0,0,1,0,0|3,0,0]=4 6340 B14R1.422 C=C(C)COCCCC1CCCCC1 7a_100000198086_100000748629 [0,0,0,1,0,0|3,0,0]=4 6341 B14R1.422 C=C(C)CSCCCC1CCCCC1 62a_100000748629_100011713725 [0,0,0,1,0,0|3,0,0]=4 6342 B14R1.422 C=C(C)CSCCCC1CCCCC1 62a_100011713725_100000211660 [0,0,0,1,0,0|3,0,0]=4 6343 B14R1.422 C=C(F)CNCCCC1CCCCC1 2230a_100011211642_100009893438 [0,0,0,1,0,0|3,0,0]=4 6344 B14R1.422 C=C(F)CNCCCC1CCCCC1 34a_100011211642_100009893438 [0,0,0,1,0,0|3,0,0]=4 6345 B14R1.422 C=C(F)COCCCC1CCCCC1 34a_100000198086_100009893438 [0,0,0,1,0,0|3,0,0]=4 6346 B14R1.422 C=C(F)COCCCC1CCCCC1 34a_200010262243_100011713725 [0,0,0,1,0,0|3,0,0]=4 6347 B14R1.422 C=C(F)COCCCC1CCCCC1 7a_100000198086_100000042424 [0,0,0,1,0,0|3,0,0]=4 6348 B14R1.422 C=C(F)CSCCCC1CCCCC1 62a_100000042424_100011713725 [0,0,0,1,0,0|3,0,0]=4 6349 B14R1.422 C=C(F)CSCCCC1CCCCC1 62a_100011713725_100000042424 [0,0,0,1,0,0|3,0,0]=4 6350 B14R1.422 CC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000210301 [0,0,0,1,0,0|2,0,0]=3 6351 B14R1.422 CC(=O)CCCCCN1CCOCC1 1458a_100012051560_200000210301 [0,0,0,1,0,0|3,0,0]=4 6352 B14R1.422 CC(=O)CCCCNC1CCCCC1 34a_100000182618_100009817362 [0,0,0,1,0,0|2,0,0]=3 6353 B14R1.422 CC(=O)CCCCNC1CCCOC1 34a_100000719290_100009817362 [0,0,0,1,0,0|3,0,0]=4 6354 B14R1.422 CC(=O)CCCCNC1CCOCC1 34a_100000741149_100009817362 [0,0,0,1,0,0|3,0,0]=4 6355 B14R1.422 CC(=O)CCCCNC1CCSCC1 34a_100000748639_100009817362 [0,0,0,1,0,0|3,0,0]=4 6356 B14R1.422 CC(=O)CCCCOC1CCCCC1 34a_100000210231_100009817362 [0,0,0,1,0,0|2,0,0]=3 6357 B14R1.422 CC(=O)CCCCOC1CCCCC1 7a_100000210231_100000735457 [0,0,0,1,0,0|2,0,0]=3 6358 B14R1.422 CC(=O)CCCCOC1CCCCO1 1458a_100000070787_100000031530 [0,0,0,1,0,0|3,0,0]=4 6359 B14R1.422 CC(=O)CCCCOC1CCCCO1 34a_100000033831_100009817362 [0,0,0,1,0,0|3,0,0]=4 6360 B14R1.422 CC(=O)CCCCOC1CCCOC1 34a_100000754041_100009817362 [0,0,0,1,0,0|3,0,0]=4 6361 B14R1.422 CC(=O)CCCCOC1CCCSC1 7a_100015962668_100000735457 [0,0,0,1,0,0|3,0,0]=4 6362 B14R1.422 CC(=O)CCCCOC1CCOCC1 34a_100000744328_100009817362 [0,0,0,1,0,0|3,0,0]=4 6363 B14R1.422 CC(=O)CCCCOC1CCSCC1 34a_100000731022_100009817362 [0,0,0,1,0,0|3,0,0]=4 6364 B14R1.422 CC(=O)CCCCOC1CCSCC1 7a_100000731022_100000735457 [0,0,0,1,0,0|3,0,0]=4 6365 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000210327_100000735457 [0,0,0,1,0,0|2,0,0]=3 6366 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000735457_100000210327 [0,0,0,1,0,0|2,0,0]=3 6367 B14R1.422 CC(=O)CCCCSC1CCCOC1 62a_100000735457_100000693364 [0,0,0,1,0,0|3,0,0]=4 6368 B14R1.422 CC(=O)CCCCSC1CCOCC1 62a_100000735457_100011324220 [0,0,0,1,0,0|3,0,0]=4 6369 B14R1.422 CC(=O)CCCCSC1CCSCC1 62a_100000735457_100000069128 [0,0,0,1,0,0|3,0,0]=4 6370 B14R1.422 CC(=O)CCCNCC1CCCCC1 34a_100000210473_100000685027 [0,0,0,1,0,0|2,0,0]=3 6371 B14R1.422 CC(=O)CCCNCC1CCCCO1 34a_100000174945_100000685027 [0,0,0,1,0,0|3,0,0]=4 6372 B14R1.422 CC(=O)CCCNCC1CCCOC1 34a_100000720124_100000685027 [0,0,0,1,0,0|3,0,0]=4 6373 B14R1.422 CC(=O)CCCNCC1CCOCC1 34a_100000746373_100000685027 [0,0,0,1,0,0|3,0,0]=4 6374 B14R1.422 CC(=O)CCCNCC1CCSCC1 34a_100015188806_100000685027 [0,0,0,1,0,0|3,0,0]=4 6375 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000212181_100000685027 [0,0,0,1,0,0|2,0,0]=3 6376 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000759063_100000211423 [0,0,0,1,0,0|2,0,0]=3 6377 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000212181_100011215641 [0,0,0,1,0,0|2,0,0]=3 6378 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000759063_100000211423 [0,0,0,1,0,0|2,0,0]=3 6379 B14R1.422 CC(=O)CCCOCC1CCCCN1 34a_100000210821_100000685027 [0,0,0,1,0,0|3,0,0]=4 6380 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000211370_100000685027 [0,0,0,1,0,0|3,0,0]=4 6381 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000759063_100000211543 [0,0,0,1,0,0|3,0,0]=4 6382 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000211370_100011215641 [0,0,0,1,0,0|3,0,0]=4 6383 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000759063_100000211543 [0,0,0,1,0,0|3,0,0]=4 6384 B14R1.422 CC(=O)CCCOCC1CCCNC1 34a_100000211344_100000685027 [0,0,0,1,0,0|3,0,0]=4 6385 B14R1.422 CC(=O)CCCOCC1CCCOC1 34a_100000741520_100000685027 [0,0,0,1,0,0|3,0,0]=4 6386 B14R1.422 CC(=O)CCCOCC1CCCOC1 34a_100000759063_100000741521 [0,0,0,1,0,0|3,0,0]=4 6387 B14R1.422 CC(=O)CCCOCC1CCCOC1 7a_100000759063_100000741521 [0,0,0,1,0,0|3,0,0]=4 6388 B14R1.422 CC(=O)CCCOCC1CCNCC1 34a_100000738675_100000685027 [0,0,0,1,0,0|3,0,0]=4 6389 B14R1.422 CC(=O)CCCOCC1CCOCC1 34a_100000749013_100000685027 [0,0,0,1,0,0|3,0,0]=4 6390 B14R1.422 CC(=O)CCCOCC1CCOCC1 34a_100000759063_100000754603 [0,0,0,1,0,0|3,0,0]=4 6391 B14R1.422 CC(=O)CCCOCC1CCOCC1 7a_100000759063_100000754603 [0,0,0,1,0,0|3,0,0]=4 6392 B14R1.422 CC(=O)CCCOCC1CCSCC1 34a_100000070558_100000685027 [0,0,0,1,0,0|3,0,0]=4 6393 B14R1.422 CC(=O)CCCOCC1CCSCC1 7a_100000070558_100011215641 [0,0,0,1,0,0|3,0,0]=4 6394 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100000211423_100011215641 [0,0,0,1,0,0|2,0,0]=3 6395 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100011215641_100000211423 [0,0,0,1,0,0|2,0,0]=3 6396 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100000211543_100011215641 [0,0,0,1,0,0|3,0,0]=4 6397 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100011215641_100000211543 [0,0,0,1,0,0|3,0,0]=4 6398 B14R1.422 CC(=O)CCCSCC1CCCOC1 62a_100000741521_100011215641 [0,0,0,1,0,0|3,0,0]=4 6399 B14R1.422 CC(=O)CCCSCC1CCCOC1 62a_100011215641_100000741521 [0,0,0,1,0,0|3,0,0]=4 6400 B14R1.422 CC(=O)CCCSCC1CCOCC1 62a_100000754603_100011215641 [0,0,0,1,0,0|3,0,0]=4 6401 B14R1.422 CC(=O)CCCSCC1CCOCC1 62a_100011215641_100000749018 [0,0,0,1,0,0|3,0,0]=4 6402 B14R1.422 CC(=O)CCOCCC1CCCCC1 34a_100000759926_100011209188 [0,0,0,1,0,0|2,0,0]=3 6403 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100000759926_100011273959 [0,0,0,1,0,0|2,0,0]=3 6404 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100011217863_100000053229 [0,0,0,1,0,0|2,0,0]=3 6405 B14R1.422 CC(=O)CCOCCC1CCOCC1 34a_100000759926_100011934994 [0,0,0,1,0,0|3,0,0]=4 6406 B14R1.422 CC(=O)CCOCCC1CCOCC1 7a_100000759926_100011934994 [0,0,0,1,0,0|3,0,0]=4 6407 B14R1.422 CC(=O)CCOCCC1CCOCC1 7a_100011933979_100000053229 [0,0,0,1,0,0|3,0,0]=4 6408 B14R1.422 CC(=O)CCOCCN1CCCCC1 34a_100000759926_100000739454 [0,0,0,1,0,0|3,0,0]=4 6409 B14R1.422 CC(=O)CCOCCN1CCCCC1 7a_100000759926_100000739454 [0,0,0,1,0,0|3,0,0]=4 6410 B14R1.422 CC(=O)CCOCOC1CCCCC1 34a_100000759926_100011935260 [0,0,0,1,0,0|3,0,0]=4 6411 B14R1.422 CC(=O)CCOCOC1CCCCC1 7a_100000759926_100011935260 [0,0,0,1,0,0|3,0,0]=4 6412 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100000053229_100012355289 [0,0,0,1,0,0|2,0,0]=3 6413 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100012355289_100000053229 [0,0,0,1,0,0|2,0,0]=3 6414 B14R1.422 CC(=O)CCSCCC1CCOCC1 62a_100000053229_100011934994 [0,0,0,1,0,0|3,0,0]=4 6415 B14R1.422 CC(=O)CCSCCC1CCOCC1 62a_100011934994_100000053229 [0,0,0,1,0,0|3,0,0]=4 6416 B14R1.422 CC(=O)CCSCCN1CCCCC1 62a_100000053229_100000739454 [0,0,0,1,0,0|3,0,0]=4 6417 B14R1.422 CC(=O)CCSCCN1CCCCC1 62a_100000739454_100000053229 [0,0,0,1,0,0|3,0,0]=4 6418 B14R1.422 CC(=O)CCSCOC1CCCCC1 62a_100000053229_100011935260 [0,0,0,1,0,0|3,0,0]=4 6419 B14R1.422 CC(=O)CCSCOC1CCCCC1 62a_100011935260_100000053229 [0,0,0,1,0,0|3,0,0]=4 6420 B14R1.422 CC(=O)COCCCC1CCCCC1 34a_100000211253_100011713725 [0,0,0,1,0,0|2,0,0]=3 6421 B14R1.422 CC(=O)COCCCN1CCCCC1 34a_100000211253_100000690320 [0,0,0,1,0,0|3,0,0]=4 6422 B14R1.422 CC(=O)COCCOC1CCCCC1 34a_100000211253_100011211530 [0,0,0,1,0,0|3,0,0]=4 6423 B14R1.422 CC(=O)NCCCCN1CCCCC1 240690a_200011207366_100015343762 [0,0,0,1,0,0|3,0,0]=4 6424 B14R1.422 CC(=O)NCCCNC1CCCCC1 270004a_100000736810_100000210434 [0,0,0,1,0,0|3,0,0]=4 6425 B14R1.422 CC(=O)NCCCNC1CCCCC1 34a_100000736810_100000210327 [0,0,0,1,0,0|3,0,0]=4 6426 B14R1.422 CC(=O)NCCCOC1CCCCC1 11a_100000205933_100015343762 [0,0,0,1,0,0|3,0,0]=4 6427 B14R1.422 CC(=O)NCCCOC1CCCCC1 1626a_100000205933_100015343762 [0,0,0,1,0,0|3,0,0]=4 6428 B14R1.422 CC(=O)NCCCOC1CCCCC1 240690a_100000205933_100015343762 [0,0,0,1,0,0|3,0,0]=4 6429 B14R1.422 CC(=O)NCCCOC1CCCCC1 34a_100000752032_100000210327 [0,0,0,1,0,0|3,0,0]=4 6430 B14R1.422 CC(=O)NCCCOC1CCCCC1 527a_100000205933_100103153847 [0,0,0,1,0,0|3,0,0]=4 6431 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000209853_100000211423 [0,0,0,1,0,0|3,0,0]=4 6432 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000210473_100000189650 [0,0,0,1,0,0|3,0,0]=4 6433 B14R1.422 CC(=O)NCCNCC1CCCCC1 269862a_100000209853_100000211278 [0,0,0,1,0,0|3,0,0]=4 6434 B14R1.422 CC(=O)NCCOCC1CCCCC1 34a_100000158858_100000211423 [0,0,0,1,0,0|3,0,0]=4 6435 B14R1.422 CC(=O)NCCOCC1CCCCC1 7a_100000212181_100000189650 [0,0,0,1,0,0|3,0,0]=4 6436 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000189650_100000211423 [0,0,0,1,0,0|3,0,0]=4 6437 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000211423_100000189650 [0,0,0,1,0,0|3,0,0]=4 6438 B14R1.422 CC(=O)OCCCNC1CCCCC1 34a_100000182618_100000042594 [0,0,0,1,0,0|3,0,0]=4 6439 B14R1.422 CC(=O)OCCCOC1CCCCC1 34a_100000210231_100000042594 [0,0,0,1,0,0|3,0,0]=4 6440 B14R1.422 CC(=O)OCCCOC1CCCCC1 7a_100000210231_100000042594 [0,0,0,1,0,0|3,0,0]=4 6441 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000042594_100000210327 [0,0,0,1,0,0|3,0,0]=4 6442 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000210327_100000042594 [0,0,0,1,0,0|3,0,0]=4 6443 B14R1.422 CC(=O)OCCNCC1CCCCC1 34a_100000210473_100009814007 [0,0,0,1,0,0|3,0,0]=4 6444 B14R1.422 CC(=O)OCCOCC1CCCCC1 34a_100000212181_100009814007 [0,0,0,1,0,0|3,0,0]=4 6445 B14R1.422 CC(=O)OCCOCC1CCCCC1 7a_100000212181_100009814007 [0,0,0,1,0,0|3,0,0]=4 6446 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100000211423_100009814007 [0,0,0,1,0,0|3,0,0]=4 6447 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100009814007_100000211423 [0,0,0,1,0,0|3,0,0]=4 6448 B14R1.422 CC(=O)OCNCCC1CCCCC1 34a_100000738074_100009813279 [0,0,0,1,0,0|3,0,0]=4 6449 B14R1.422 CC(=O)OCOCCC1CCCCC1 34a_100011217863_100009813279 [0,0,0,1,0,0|3,0,0]=4 6450 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100000076356_100012355289 [0,0,0,1,0,0|3,0,0]=4 6451 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100012355289_100000076356 [0,0,0,1,0,0|3,0,0]=4 6452 B14R1.422 CC(=O)SCCCNC1CCCCC1 2230a_100000182618_100000038929 [0,0,0,1,0,0|3,0,0]=4 6453 B14R1.422 CC(=O)SCCCNC1CCCCC1 34a_100000182618_100000038929 [0,0,0,1,0,0|3,0,0]=4 6454 B14R1.422 CC(=O)SCCCOC1CCCCC1 34a_100000210231_100000038929 [0,0,0,1,0,0|3,0,0]=4 6455 B14R1.422 CC(=O)SCCCOC1CCCCC1 7a_100000210231_100000038929 [0,0,0,1,0,0|3,0,0]=4 6456 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000038929_100000210327 [0,0,0,1,0,0|3,0,0]=4 6457 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000210327_100000038929 [0,0,0,1,0,0|3,0,0]=4 6458 B14R1.422 CC(=O)SCCNCC1CCCCC1 269862a_100020647217_100000211278 [0,0,0,1,0,0|3,0,0]=4 6459 B14R1.422 CC(O)CCCNCC1CCCCC1 2230a_100000210473_200000718107 [0,0,0,1,0,0|2,0,1]=4 6460 B14R1.422 CC(O)CCCNCC1CCCCC1 34a_100000210473_200000718107 [0,0,0,1,0,0|2,0,1]=4 6461 B14R1.422 CC(O)CCCOCC1CCCCC1 34a_100000212181_200000718107 [0,0,0,1,0,0|2,0,1]=4 6462 B14R1.422 CC(O)CCCOCC1CCCCC1 7a_100000212181_200000718107 [0,0,0,1,0,0|2,0,1]=4 6463 B14R1.422 CC(O)CCCSCC1CCCCC1 62a_100000211423_200000718107 [0,0,0,1,0,0|2,0,1]=4 6464 B14R1.422 CC(O)CCCSCC1CCCCC1 62a_200000718107_100000211423 [0,0,0,1,0,0|2,0,1]=4 6465 B14R1.422 CC(O)CCNCCC1CCCCC1 2230a_100000738074_100012276601 [0,0,0,1,0,0|2,0,1]=4 6466 B14R1.422 CC(O)CCNCCC1CCCCC1 2230a_200000755665_100012355289 [0,0,0,1,0,0|2,0,1]=4 6467 B14R1.422 CC(O)CCNCCC1CCCCC1 270004a_200000755665_100011713444 [0,0,0,1,0,0|2,0,1]=4 6468 B14R1.422 CC(O)CCNCCC1CCCCC1 34a_100000738074_100012276601 [0,0,0,1,0,0|2,0,1]=4 6469 B14R1.422 CC(O)CCOCCC1CCCCC1 34a_100011217863_100012276601 [0,0,0,1,0,0|2,0,1]=4 6470 B14R1.422 CC(O)CCOCCC1CCCCC1 7a_100011217863_100012276601 [0,0,0,1,0,0|2,0,1]=4 6471 B14R1.422 CC(O)CCSCCC1CCCCC1 62a_100012276601_100012355289 [0,0,0,1,0,0|2,0,1]=4 6472 B14R1.422 CC(O)CCSCCC1CCCCC1 62a_100012355289_100012276601 [0,0,0,1,0,0|2,0,1]=4 6473 B14R1.422 CC(O)CNCCCC1CCCCC1 2230a_100000210904_100011713725 [0,0,0,1,0,0|2,0,1]=4 6474 B14R1.422 CC(O)CNCCCC1CCCCC1 2230a_100011211642_100011218427 [0,0,0,1,0,0|2,0,1]=4 6475 B14R1.422 CC(O)CNCCCC1CCCCC1 34a_100000210904_100011713725 [0,0,0,1,0,0|2,0,1]=4 6476 B14R1.422 CC(O)CNCCCC1CCCCC1 34a_100011211642_100011218427 [0,0,0,1,0,0|2,0,1]=4 6477 B14R1.422 CC(O)COCCCC1CCCCC1 34a_100000198086_100011218427 [0,0,0,1,0,0|2,0,1]=4 6478 B14R1.422 CC(O)COCCCC1CCCCC1 7a_100000198086_100011218427 [0,0,0,1,0,0|2,0,1]=4 6479 B14R1.422 CC(O)CSCCCC1CCCCC1 62a_100011218427_100011713725 [0,0,0,1,0,0|2,0,1]=4 6480 B14R1.422 CC(O)CSCCCC1CCCCC1 62a_100011713725_100011218427 [0,0,0,1,0,0|2,0,1]=4 6481 B14R1.422 CS(=O)CCCNCC1CCCCC1 2230a_200000753449_100000211423 [0,0,0,1,0,0|3,0,0]=4 6482 B14R1.422 C[C@@H](O)CNCCCC1CCCCC1 2230a_100011211642_100009817552 [0,0,0,1,0,0|2,0,1]=4 6483 B14R1.422 C[C@@H](O)CNCCCC1CCCCC1 34a_100011211642_100009817552 [0,0,0,1,0,0|2,0,1]=4 6484 B14R1.422 C[C@@H](O)COCCCC1CCCCC1 34a_100000198086_100009817552 [0,0,0,1,0,0|2,0,1]=4 6485 B14R1.422 C[C@@H](O)COCCCC1CCCCC1 7a_100000198086_100009817552 [0,0,0,1,0,0|2,0,1]=4 6486 B14R1.422 C[C@@H](O)CSCCCC1CCCCC1 62a_100009817552_100011713725 [0,0,0,1,0,0|2,0,1]=4 6487 B14R1.422 C[C@@H](O)CSCCCC1CCCCC1 62a_100011713725_100009817552 [0,0,0,1,0,0|2,0,1]=4 6488 B14R1.422 NC(=O)CCCCCN1CCCOC1 2230a_100000131196_100009817443 [0,0,0,1,0,0|3,0,0]=4 6489 B14R1.422 NC(=O)CCCCCN1CCCOC1 269982a_100000131196_100009817443 [0,0,0,1,0,0|3,0,0]=4 6490 B14R1.422 NC(=O)CCCCCN1CCCOC1 34a_100000131196_100009817443 [0,0,0,1,0,0|3,0,0]=4 6491 B14R1.422 NC(=O)CCCCCN1CCOCC1 2230a_100015191051_100009817443 [0,0,0,1,0,0|3,0,0]=4 6492 B14R1.422 NC(=O)CCCCCN1CCOCC1 269982a_100015191051_100009817443 [0,0,0,1,0,0|3,0,0]=4 6493 B14R1.422 NC(=O)CCCCCN1CCOCC1 34a_100015191051_100009817443 [0,0,0,1,0,0|3,0,0]=4 6494 B14R1.422 NC(=O)CCCCCN1CCSCC1 2230a_100000737611_100009817443 [0,0,0,1,0,0|3,0,0]=4 6495 B14R1.422 NC(=O)CCCCCN1CCSCC1 269982a_100000737611_100009817443 [0,0,0,1,0,0|3,0,0]=4 6496 B14R1.422 NC(=O)CCCCNC1CCCCC1 270004a_100000696515_100000210434 [0,0,0,1,0,0|2,0,0]=3 6497 B14R1.422 NC(=O)CCCCNC1CCCCC1 34a_100000696515_100000210327 [0,0,0,1,0,0|2,0,0]=3 6498 B14R1.422 NC(=O)CCCCNC1CCCOC1 270004a_100000696515_100000753404 [0,0,0,1,0,0|3,0,0]=4 6499 B14R1.422 NC(=O)CCCCNC1CCCOC1 34a_100000696515_100000693364 [0,0,0,1,0,0|3,0,0]=4 6500 B14R1.422 NC(=O)CCCCNC1CCCSC1 270004a_100000696515_100000057913 [0,0,0,1,0,0|3,0,0]=4 6501 B14R1.422 NC(=O)CCCCNC1CCNCC1 270004a_100000696515_100015192401 [0,0,0,1,0,0|3,0,0]=4 6502 B14R1.422 NC(=O)CCCCNC1CCOCC1 270004a_100000696515_100011217826 [0,0,0,1,0,0|3,0,0]=4 6503 B14R1.422 NC(=O)CCCCNC1CCSCC1 270004a_100000696515_100000203788 [0,0,0,1,0,0|3,0,0]=4 6504 B14R1.422 NC(=O)CCCCNC1CCSCC1 34a_100000696515_100000069128 [0,0,0,1,0,0|3,0,0]=4 6505 B14R1.422 NC(=O)CCCCOC1CCCCC1 34a_100012022536_100000210327 [0,0,0,1,0,0|2,0,0]=3 6506 B14R1.422 NC(=O)CCCCOC1CCCCC1 7a_100012022536_100000210327 [0,0,0,1,0,0|2,0,0]=3 6507 B14R1.422 NC(=O)CCCCOC1CCCOC1 34a_100012022536_100000693364 [0,0,0,1,0,0|3,0,0]=4 6508 B14R1.422 NC(=O)CCCCOC1CCCOC1 7a_100012022536_100000693364 [0,0,0,1,0,0|3,0,0]=4 6509 B14R1.422 NC(=O)CCCCOC1CCOCC1 7a_100012022536_100000686592 [0,0,0,1,0,0|3,0,0]=4 6510 B14R1.422 NC(=O)CCCCOC1CCSCC1 34a_100012022536_100000069128 [0,0,0,1,0,0|3,0,0]=4 6511 B14R1.422 NC(=O)CCCCOC1CCSCC1 7a_100012022536_100011500858 [0,0,0,1,0,0|3,0,0]=4 6512 B14R1.422 NC(=O)CCCNCC1CCCCC1 269862a_100000739312_100000211278 [0,0,0,1,0,0|2,0,0]=3 6513 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000210473_100102525003 [0,0,0,1,0,0|2,0,0]=3 6514 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000739312_100000211423 [0,0,0,1,0,0|2,0,0]=3 6515 B14R1.422 NC(=O)CCCNCC1CCCCO1 34a_100000174945_100102525003 [0,0,0,1,0,0|3,0,0]=4 6516 B14R1.422 NC(=O)CCCNCC1CCCCO1 34a_100000739312_100000211543 [0,0,0,1,0,0|3,0,0]=4 6517 B14R1.422 NC(=O)CCCNCC1CCCOC1 34a_100000720124_100102525003 [0,0,0,1,0,0|3,0,0]=4 6518 B14R1.422 NC(=O)CCCNCC1CCCOC1 34a_100000739312_100000741521 [0,0,0,1,0,0|3,0,0]=4 6519 B14R1.422 NC(=O)CCCNCC1CCOCC1 269862a_100000739312_100000749017 [0,0,0,1,0,0|3,0,0]=4 6520 B14R1.422 NC(=O)CCCNCC1CCOCC1 34a_100000739312_100000754603 [0,0,0,1,0,0|3,0,0]=4 6521 B14R1.422 NC(=O)CCCNCC1CCOCC1 34a_100000746373_100102525003 [0,0,0,1,0,0|3,0,0]=4 6522 B14R1.422 NC(=O)CCCNCC1CCSCC1 269862a_100000739312_100000067145 [0,0,0,1,0,0|3,0,0]=4 6523 B14R1.422 NC(=O)CCCNCC1CCSCC1 34a_100015188806_100102525003 [0,0,0,1,0,0|3,0,0]=4 6524 B14R1.422 NC(=O)CCCOCC1CCCCC1 34a_100000212181_100102525003 [0,0,0,1,0,0|2,0,0]=3 6525 B14R1.422 NC(=O)CCCOCC1CCCCC1 7a_100000212181_100102525003 [0,0,0,1,0,0|2,0,0]=3 6526 B14R1.422 NC(=O)CCCOCC1CCCCN1 34a_100000210821_100102525003 [0,0,0,1,0,0|3,0,0]=4 6527 B14R1.422 NC(=O)CCCOCC1CCCCO1 34a_100000211370_100102525003 [0,0,0,1,0,0|3,0,0]=4 6528 B14R1.422 NC(=O)CCCOCC1CCCCO1 7a_100000211370_100102525003 [0,0,0,1,0,0|3,0,0]=4 6529 B14R1.422 NC(=O)CCCOCC1CCCNC1 34a_100000211344_100102525003 [0,0,0,1,0,0|3,0,0]=4 6530 B14R1.422 NC(=O)CCCOCC1CCCOC1 34a_100000741520_100102525003 [0,0,0,1,0,0|3,0,0]=4 6531 B14R1.422 NC(=O)CCCOCC1CCNCC1 34a_100000738675_100102525003 [0,0,0,1,0,0|3,0,0]=4 6532 B14R1.422 NC(=O)CCCOCC1CCOCC1 34a_100000749013_100102525003 [0,0,0,1,0,0|3,0,0]=4 6533 B14R1.422 NC(=O)CCCOCC1CCSCC1 34a_100000070558_100102525003 [0,0,0,1,0,0|3,0,0]=4 6534 B14R1.422 NC(=O)CCCOCC1CCSCC1 7a_100000070558_100102525003 [0,0,0,1,0,0|3,0,0]=4 6535 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100000211423_100102525003 [0,0,0,1,0,0|2,0,0]=3 6536 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100102525003_100000211423 [0,0,0,1,0,0|2,0,0]=3 6537 B14R1.422 NC(=O)CCCSCC1CCCCO1 62a_100000211543_100102525003 [0,0,0,1,0,0|3,0,0]=4 6538 B14R1.422 NC(=O)CCCSCC1CCCCO1 62a_100102525003_100000211543 [0,0,0,1,0,0|3,0,0]=4 6539 B14R1.422 NC(=O)CCCSCC1CCCOC1 62a_100000741521_100102525003 [0,0,0,1,0,0|3,0,0]=4 6540 B14R1.422 NC(=O)CCCSCC1CCCOC1 62a_100102525003_100000741521 [0,0,0,1,0,0|3,0,0]=4 6541 B14R1.422 NC(=O)CCCSCC1CCOCC1 62a_100000754603_100102525003 [0,0,0,1,0,0|3,0,0]=4 6542 B14R1.422 NC(=O)CCCSCC1CCOCC1 62a_100102525003_100000749018 [0,0,0,1,0,0|3,0,0]=4 6543 B14R1.422 NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000744528 [0,0,0,1,0,0|2,0,0]=3 6544 B14R1.422 NC(=O)CCNCCC1CCCCC1 34a_100000738074_100000731001 [0,0,0,1,0,0|2,0,0]=3 6545 B14R1.422 NC(=O)CCNCCC1CCCCO1 2230a_100015183643_100000744528 [0,0,0,1,0,0|3,0,0]=4 6546 B14R1.422 NC(=O)CCNCCC1CCCCO1 34a_100015183643_100000731001 [0,0,0,1,0,0|3,0,0]=4 6547 B14R1.422 NC(=O)CCNCCC1CCOCC1 2230a_100000755988_100000744528 [0,0,0,1,0,0|3,0,0]=4 6548 B14R1.422 NC(=O)CCNCCC1CCOCC1 34a_100000755988_100000731001 [0,0,0,1,0,0|3,0,0]=4 6549 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100000757172_100011209188 [0,0,0,1,0,0|2,0,0]=3 6550 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100011217863_100000731001 [0,0,0,1,0,0|2,0,0]=3 6551 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100000757172_100011273959 [0,0,0,1,0,0|2,0,0]=3 6552 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000744528 [0,0,0,1,0,0|2,0,0]=3 6553 B14R1.422 NC(=O)CCOCCC1CCCCN1 34a_100000211664_100000731001 [0,0,0,1,0,0|3,0,0]=4 6554 B14R1.422 NC(=O)CCOCCC1CCCNC1 34a_100000752241_100000731001 [0,0,0,1,0,0|3,0,0]=4 6555 B14R1.422 NC(=O)CCOCCC1CCNCC1 34a_100015190746_100000731001 [0,0,0,1,0,0|3,0,0]=4 6556 B14R1.422 NC(=O)CCOCCC1CCOCC1 34a_100000757172_100011934994 [0,0,0,1,0,0|3,0,0]=4 6557 B14R1.422 NC(=O)CCOCCC1CCOCC1 34a_100011933979_100000731001 [0,0,0,1,0,0|3,0,0]=4 6558 B14R1.422 NC(=O)CCOCCC1CCOCC1 7a_100000757172_100011934994 [0,0,0,1,0,0|3,0,0]=4 6559 B14R1.422 NC(=O)CCOCCC1CCOCC1 7a_100011933979_100000744528 [0,0,0,1,0,0|3,0,0]=4 6560 B14R1.422 NC(=O)CCOCCN1CCCCC1 34a_100000757172_100000739454 [0,0,0,1,0,0|3,0,0]=4 6561 B14R1.422 NC(=O)CCOCCN1CCCCC1 7a_100000757172_100000739454 [0,0,0,1,0,0|3,0,0]=4 6562 B14R1.422 NC(=O)CCOCOC1CCCCC1 34a_100000757172_100011935260 [0,0,0,1,0,0|3,0,0]=4 6563 B14R1.422 NC(=O)CCOCOC1CCCCC1 7a_100000757172_100011935260 [0,0,0,1,0,0|3,0,0]=4 6564 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100000744528_100012355289 [0,0,0,1,0,0|2,0,0]=3 6565 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000744528 [0,0,0,1,0,0|2,0,0]=3 6566 B14R1.422 NC(=O)CCSCCC1CCOCC1 62a_100000744528_100011934994 [0,0,0,1,0,0|3,0,0]=4 6567 B14R1.422 NC(=O)CCSCCC1CCOCC1 62a_100011934994_100000744528 [0,0,0,1,0,0|3,0,0]=4 6568 B14R1.422 NC(=O)CCSCCN1CCCCC1 62a_100000739454_100000744528 [0,0,0,1,0,0|3,0,0]=4 6569 B14R1.422 NC(=O)CCSCCN1CCCCC1 62a_100000744528_100000739454 [0,0,0,1,0,0|3,0,0]=4 6570 B14R1.422 NC(=O)CCSCOC1CCCCC1 62a_100000744528_100011935260 [0,0,0,1,0,0|3,0,0]=4 6571 B14R1.422 NC(=O)CCSCOC1CCCCC1 62a_100011935260_100000744528 [0,0,0,1,0,0|3,0,0]=4 6572 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100000711301_100011713725 [0,0,0,1,0,0|2,0,0]=3 6573 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747473 [0,0,0,1,0,0|2,0,0]=3 6574 B14R1.422 NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000187820 [0,0,0,1,0,0|2,0,0]=3 6575 B14R1.422 NC(=O)CNCCCN1CCCCC1 2230a_100000711301_100000690320 [0,0,0,1,0,0|3,0,0]=4 6576 B14R1.422 NC(=O)CNCCOC1CCCCC1 2230a_100000711301_100011211530 [0,0,0,1,0,0|3,0,0]=4 6577 B14R1.422 NC(=O)CNCCOC1CCCCC1 34a_100015206981_100000187820 [0,0,0,1,0,0|3,0,0]=4 6578 B14R1.422 NC(=O)COCCCC1CCCCC1 34a_100000198086_100000187820 [0,0,0,1,0,0|2,0,0]=3 6579 B14R1.422 NC(=O)COCCCC1CCCCC1 7a_100000198086_100000187820 [0,0,0,1,0,0|2,0,0]=3 6580 B14R1.422 NC(=O)COCCCC1CCCCN1 34a_100011934581_100000187820 [0,0,0,1,0,0|3,0,0]=4 6581 B14R1.422 NC(=O)COCCCC1CCCNC1 34a_100150707839_100000187820 [0,0,0,1,0,0|3,0,0]=4 6582 B14R1.422 NC(=O)COCCCC1CCNCC1 34a_100016988962_100000187820 [0,0,0,1,0,0|3,0,0]=4 6583 B14R1.422 NC(=O)COCCCN1CCCCC1 34a_100000212458_100000187820 [0,0,0,1,0,0|3,0,0]=4 6584 B14R1.422 NC(=O)COCCNC1CCCCC1 2230a_100000182618_100000076697 [0,0,0,1,0,0|3,0,0]=4 6585 B14R1.422 NC(=O)COCCNC1CCCCC1 34a_100000182618_100000076697 [0,0,0,1,0,0|3,0,0]=4 6586 B14R1.422 NC(=O)COCCNC1CCCCC1 34a_100000200466_100000187820 [0,0,0,1,0,0|3,0,0]=4 6587 B14R1.422 NC(=O)COCCOC1CCCCC1 34a_100000210231_100000076697 [0,0,0,1,0,0|3,0,0]=4 6588 B14R1.422 NC(=O)COCCOC1CCCCC1 34a_100011249652_100000187820 [0,0,0,1,0,0|3,0,0]=4 6589 B14R1.422 NC(=O)COCCOC1CCCCC1 7a_100000210231_100000076697 [0,0,0,1,0,0|3,0,0]=4 6590 B14R1.422 NC(=O)COCCOC1CCCCC1 7a_100011249652_100000187820 [0,0,0,1,0,0|3,0,0]=4 6591 B14R1.422 NC(=O)COCCSC1CCCCC1 62a_100000076697_100000210327 [0,0,0,1,0,0|3,0,0]=4 6592 B14R1.422 NC(=O)COCCSC1CCCCC1 62a_100000210327_100000076697 [0,0,0,1,0,0|3,0,0]=4 6593 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100000747473_100011713725 [0,0,0,1,0,0|2,0,0]=3 6594 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747473 [0,0,0,1,0,0|2,0,0]=3 6595 B14R1.422 NC(=O)CSCCCN1CCCCC1 62a_100000747473_100000007876 [0,0,0,1,0,0|3,0,0]=4 6596 B14R1.422 NC(=O)CSCCCN1CCCCC1 62a_100132302099_100000747473 [0,0,0,1,0,0|3,0,0]=4 6597 B14R1.422 NC(=O)CSCCOC1CCCCC1 62a_100000747473_100011211530 [0,0,0,1,0,0|3,0,0]=4 6598 B14R1.422 NC(=O)CSCCOC1CCCCC1 62a_100011211530_100000747473 [0,0,0,1,0,0|3,0,0]=4 6599 B14R1.422 NC(=O)NCCNCC1CCCCC1 2230a_100000210473_200000034859 [0,0,0,1,0,0|3,0,0]=4 6600 B14R1.422 NC(=O)NCCNCC1CCCCC1 269862a_100020590234_100000211278 [0,0,0,1,0,0|3,0,0]=4 6601 B14R1.422 NC(=O)NCCNCC1CCCCC1 34a_100020590234_100000211423 [0,0,0,1,0,0|3,0,0]=4 6602 B14R1.422 NC(=O)NCCOCC1CCCCC1 34a_100000181757_100000211423 [0,0,0,1,0,0|3,0,0]=4 6603 B14R1.422 NC(=O)NCCOCC1CCCCC1 7a_100000212181_200000034859 [0,0,0,1,0,0|3,0,0]=4 6604 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_100000211423_200000034859 [0,0,0,1,0,0|3,0,0]=4 6605 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_200000034859_100000211423 [0,0,0,1,0,0|3,0,0]=4 6606 B14R1.422 NC(=O)OCCNCC1CCCCC1 34a_100000210473_200011214921 [0,0,0,1,0,0|3,0,0]=4 6607 B14R1.422 NC(=O)OCCOCC1CCCCC1 34a_100000212181_200011214921 [0,0,0,1,0,0|3,0,0]=4 6608 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000212181_200011214921 [0,0,0,1,0,0|3,0,0]=4 6609 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000766696_100000211423 [0,0,0,1,0,0|3,0,0]=4 6610 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_100000211423_200011214921 [0,0,0,1,0,0|3,0,0]=4 6611 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_200011214921_100000211423 [0,0,0,1,0,0|3,0,0]=4 6612 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [0,0,0,1,0,0|1,0,0]=2 6613 B14R1.422 O=C(O)CNCCCN1CCCCC1 269956a_100016091260_100000007876 [0,0,0,1,0,0|2,0,0]=3 6614 B14R1.422 O=C(O)CNCCCN1CCOCC1 269956a_100016091260_100000760944 [0,0,0,1,0,0|3,0,0]=4 6615 B14R1.422 O=C(O)CNCCOC1CCCCC1 269956a_100016091260_100011211530 [0,0,0,1,0,0|2,0,0]=3 6616 B14R1.422 O=C(O)CNCCOC1CCCCO1 269956a_100016091260_100000744793 [0,0,0,1,0,0|3,0,0]=4 6617 B14R1.422 O=C(O)COCCNC1CCCCC1 269956a_100000700818_100000210327 [0,0,0,1,0,0|2,0,0]=3 6618 B14R1.422 O=C(O)COCCNC1CCCOC1 269956a_100000700818_100000693364 [0,0,0,1,0,0|3,0,0]=4 6619 B14R1.422 O=C(O)COCCNC1CCOCC1 269956a_100000700818_100011324220 [0,0,0,1,0,0|3,0,0]=4 6620 B14R1.422 O=C(O)COCCNC1CCSCC1 269956a_100000700818_100000069128 [0,0,0,1,0,0|3,0,0]=4 6621 B14R1.422 O=C(O)CONCCC1CCCCC1 269956a_100000106656_100011273959 [0,0,0,1,0,0|2,0,0]=3 6622 B14R1.422 O=C(O)CONCCC1CCOCC1 269956a_100000106656_100011934994 [0,0,0,1,0,0|3,0,0]=4 6623 B14R1.422 O=C(O)CONCCN1CCCCC1 269956a_100000106656_100000739454 [0,0,0,1,0,0|3,0,0]=4 6624 B14R1.422 O=C(O)CONCOC1CCCCC1 269956a_100000106656_100011935260 [0,0,0,1,0,0|3,0,0]=4 6625 B14R1.422 O=C([O-])CNCCCC1CCCCC1 34a_100011211642_100020667443 [0,0,0,1,0,0|1,0,1]=3 6626 B14R1.422 O=C([O-])CNCCOC1CCCCC1 34a_100015206981_100020667443 [0,0,0,1,0,0|2,0,1]=4 6627 B14R1.422 O=C([O-])COCCCC1CCCCC1 34a_100000198086_100020667443 [0,0,0,1,0,0|1,0,1]=3 6628 B14R1.422 O=C([O-])COCCCC1CCCCN1 34a_100011934581_100020667443 [0,0,0,1,0,0|2,0,1]=4 6629 B14R1.422 O=C([O-])COCCCC1CCCNC1 34a_100150707839_100020667443 [0,0,0,1,0,0|2,0,1]=4 6630 B14R1.422 O=C([O-])COCCCC1CCNCC1 34a_100016988962_100020667443 [0,0,0,1,0,0|2,0,1]=4 6631 B14R1.422 O=C([O-])COCCCN1CCCCC1 34a_100000212458_100020667443 [0,0,0,1,0,0|2,0,1]=4 6632 B14R1.422 O=C([O-])COCCNC1CCCCC1 34a_100000200466_100020667443 [0,0,0,1,0,0|2,0,1]=4 6633 B14R1.422 O=C([O-])COCCOC1CCCCC1 34a_100011249652_100020667443 [0,0,0,1,0,0|2,0,1]=4 6634 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100011713725_100020667443 [0,0,0,1,0,0|1,0,1]=3 6635 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100020667443_100011713725 [0,0,0,1,0,0|1,0,1]=3 6636 B14R1.422 O=C([O-])CSCCCN1CCCCC1 62a_100020667443_100000007876 [0,0,0,1,0,0|2,0,1]=4 6637 B14R1.422 O=C([O-])CSCCCN1CCCCC1 62a_100132302099_100020667443 [0,0,0,1,0,0|2,0,1]=4 6638 B14R1.422 O=C([O-])CSCCOC1CCCCC1 62a_100011211530_100020667443 [0,0,0,1,0,0|2,0,1]=4 6639 B14R1.422 O=C([O-])CSCCOC1CCCCC1 62a_100020667443_100011211530 [0,0,0,1,0,0|2,0,1]=4 6640 B14R1.422 O=[N+]([O-])CCCCOC1CCCCC1 34a_200015379883_100000210327 [0,0,0,1,0,0|2,0,1]=4 6641 B14R1.422 O=[N+]([O-])CCCCOC1CCCCC1 7a_200015379883_100000210327 [0,0,0,1,0,0|2,0,1]=4 6642 B14R1.422 O=[N+]([O-])CCCOCC1CCCCC1 34a_200000037920_100000211423 [0,0,0,1,0,0|2,0,1]=4 6643 B14R1.422 O=[N+]([O-])CNCCCC1CCCCC1 34a_100011211642_100000761209 [0,0,0,1,0,0|2,0,1]=4 6644 B14R1.422 O=[N+]([O-])COCCCC1CCCCC1 34a_100000198086_100000761209 [0,0,0,1,0,0|2,0,1]=4 6645 B14R1.422 O=[N+]([O-])CSCCCC1CCCCC1 62a_100011713725_100000761209 [0,0,0,1,0,0|2,0,1]=4 6646 B14R1.422 OB(O)CCCCNC1CCCCC1 2230a_100000182618_200009817182 [0,0,0,1,0,0|2,0,1]=4 6647 B14R1.422 OB(O)CCCCNC1CCCCC1 34a_100000182618_200009817182 [0,0,0,1,0,0|2,0,1]=4 6648 B14R1.422 OB(O)CCCCOC1CCCCC1 34a_100000210231_200009817182 [0,0,0,1,0,0|2,0,1]=4 6649 B14R1.422 OB(O)CCCCOC1CCCCC1 7a_100000210231_200009817182 [0,0,0,1,0,0|2,0,1]=4 6650 B14R1.422 OB(O)CCCCSC1CCCCC1 62a_100000210327_200009817182 [0,0,0,1,0,0|2,0,1]=4 6651 B14R1.422 OB(O)CCCCSC1CCCCC1 62a_200009817182_100000210327 [0,0,0,1,0,0|2,0,1]=4 6652 B14R1.422 [13CH3]C(=O)CCCCCN1CCCCC1 1458a_100012051570_200025704644 [0,0,0,1,0,0|2,0,0]=3 6653 B14R1.422 [13CH3]C(=O)CCCCCN1CCOCC1 1458a_100012051560_200025704644 [0,0,0,1,0,0|3,0,0]=4 6654 B14R1.427 C=C(Br)CCOCCCC1CCCC1 34a_100009813270_100011713738 [0,0,0,1,0,0|3,0,0]=4 6655 B14R1.427 C=C(C)CCNCCCC1CCCC1 2230a_100000736752_100000730704 [0,0,0,1,0,0|3,0,0]=4 6656 B14R1.427 C=C(C)CCNCCCC1CCCC1 34a_100000736752_100000730704 [0,0,0,1,0,0|3,0,0]=4 6657 B14R1.427 C=C(C)CCOCCCC1CCCC1 34a_100000764851_100011713738 [0,0,0,1,0,0|3,0,0]=4 6658 B14R1.427 C=C(C)CCOCCCC1CCCC1 34a_100011215328_100000730704 [0,0,0,1,0,0|3,0,0]=4 6659 B14R1.427 C=C(C)CCOCCCC1CCCC1 7a_100011215328_100000730704 [0,0,0,1,0,0|3,0,0]=4 6660 B14R1.427 C=C(C)CCSCCCC1CCCC1 62a_100000730704_100011713738 [0,0,0,1,0,0|3,0,0]=4 6661 B14R1.427 C=C(C)CCSCCCC1CCCC1 62a_100011713738_100000730704 [0,0,0,1,0,0|3,0,0]=4 6662 B14R1.427 CC(=O)CCCCNCC1CCCC1 34a_100000737975_100009817362 [0,0,0,1,0,0|2,0,0]=3 6663 B14R1.427 CC(=O)CCCCNCC1CCOC1 34a_100000737293_100009817362 [0,0,0,1,0,0|3,0,0]=4 6664 B14R1.427 CC(=O)CCCCNC[C@@H]1CCCO1 34a_100020590478_100009817362 [0,0,0,1,0,0|3,0,0]=4 6665 B14R1.427 CC(=O)CCCCOCC1CCCC1 34a_100000742336_100009817362 [0,0,0,1,0,0|2,0,0]=3 6666 B14R1.427 CC(=O)CCCCOCC1CCCC1 7a_100000742336_100000735457 [0,0,0,1,0,0|2,0,0]=3 6667 B14R1.427 CC(=O)CCCCOCC1CCCO1 34a_100000210270_100009817362 [0,0,0,1,0,0|3,0,0]=4 6668 B14R1.427 CC(=O)CCCCOCC1CCCO1 7a_100000210270_100000735457 [0,0,0,1,0,0|3,0,0]=4 6669 B14R1.427 CC(=O)CCCCOCC1CCNC1 34a_100000748654_100009817362 [0,0,0,1,0,0|3,0,0]=4 6670 B14R1.427 CC(=O)CCCCOCC1CCOC1 34a_100000740260_100009817362 [0,0,0,1,0,0|3,0,0]=4 6671 B14R1.427 CC(=O)CCCCOC[C@H]1CCCN1 34a_100000745186_100009817362 [0,0,0,1,0,0|3,0,0]=4 6672 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000735457_100000740388 [0,0,0,1,0,0|2,0,0]=3 6673 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000740388_100000735457 [0,0,0,1,0,0|2,0,0]=3 6674 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000203698_100000735457 [0,0,0,1,0,0|3,0,0]=4 6675 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000735457_100000203698 [0,0,0,1,0,0|3,0,0]=4 6676 B14R1.427 CC(=O)CCCCSCC1CCOC1 62a_100000702531_100000735457 [0,0,0,1,0,0|3,0,0]=4 6677 B14R1.427 CC(=O)CCCCSCC1CCOC1 62a_100000735457_100000702531 [0,0,0,1,0,0|3,0,0]=4 6678 B14R1.427 CC(=O)CCCNCCC1CCCC1 34a_100000739158_100000685027 [0,0,0,1,0,0|2,0,0]=3 6679 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000749090_100000685027 [0,0,0,1,0,0|2,0,0]=3 6680 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000759063_100000760354 [0,0,0,1,0,0|2,0,0]=3 6681 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215641 [0,0,0,1,0,0|2,0,0]=3 6682 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000759063_100000760354 [0,0,0,1,0,0|2,0,0]=3 6683 B14R1.427 CC(=O)CCCOCCC1CCNC1 34a_100016987287_100000685027 [0,0,0,1,0,0|3,0,0]=4 6684 B14R1.427 CC(=O)CCCOCCC1CCOC1 34a_100011879284_100000685027 [0,0,0,1,0,0|3,0,0]=4 6685 B14R1.427 CC(=O)CCCOCCN1CCCC1 7a_100000759063_100000004467 [0,0,0,1,0,0|3,0,0]=4 6686 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100000760354_100011215641 [0,0,0,1,0,0|2,0,0]=3 6687 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100011215641_100000760354 [0,0,0,1,0,0|2,0,0]=3 6688 B14R1.427 CC(=O)CCCSCCN1CCCC1 62a_100000700749_100011215641 [0,0,0,1,0,0|3,0,0]=4 6689 B14R1.427 CC(=O)CCCSCCN1CCCC1 62a_100011215641_100000004467 [0,0,0,1,0,0|3,0,0]=4 6690 B14R1.427 CC(=O)CCOCCCC1CCCC1 34a_100000759926_100011713738 [0,0,0,1,0,0|2,0,0]=3 6691 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100000759926_100011713738 [0,0,0,1,0,0|2,0,0]=3 6692 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100011215328_100000053229 [0,0,0,1,0,0|2,0,0]=3 6693 B14R1.427 CC(=O)CCOCCCN1CCCC1 34a_100000759926_100016991639 [0,0,0,1,0,0|3,0,0]=4 6694 B14R1.427 CC(=O)CCOCCCN1CCCC1 7a_100000759926_100011445909 [0,0,0,1,0,0|3,0,0]=4 6695 B14R1.427 CC(=O)CCOCCOC1CCCC1 7a_100000738311_100000053229 [0,0,0,1,0,0|3,0,0]=4 6696 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100000053229_100011713738 [0,0,0,1,0,0|2,0,0]=3 6697 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100011713738_100000053229 [0,0,0,1,0,0|2,0,0]=3 6698 B14R1.427 CC(=O)CCSCCCN1CCCC1 62a_100000053229_100011445909 [0,0,0,1,0,0|3,0,0]=4 6699 B14R1.427 CC(=O)CCSCCCN1CCCC1 62a_100016991639_100000053229 [0,0,0,1,0,0|3,0,0]=4 6700 B14R1.427 CC(=O)NCCCCCN1CCCC1 1626a_100011491779_100015343762 [0,0,0,1,0,0|3,0,0]=4 6701 B14R1.427 CC(=O)NCCCCCN1CCCC1 240690a_100011491779_100015343762 [0,0,0,1,0,0|3,0,0]=4 6702 B14R1.427 CC(=O)NCCCCNC1CCCC1 2230a_200011368371_100000179811 [0,0,0,1,0,0|3,0,0]=4 6703 B14R1.427 CC(=O)NCCCCNC1CCCC1 270004a_200011368371_100000210133 [0,0,0,1,0,0|3,0,0]=4 6704 B14R1.427 CC(=O)NCCCCNC1CCCC1 34a_200011368371_100000179811 [0,0,0,1,0,0|3,0,0]=4 6705 B14R1.427 CC(=O)NCCCNCC1CCCC1 269862a_100000736810_100000746403 [0,0,0,1,0,0|3,0,0]=4 6706 B14R1.427 CC(=O)NCCCNCC1CCCC1 34a_100000736810_100000740388 [0,0,0,1,0,0|3,0,0]=4 6707 B14R1.427 CC(=O)NCCCOCC1CCCC1 34a_100000752032_100000740388 [0,0,0,1,0,0|3,0,0]=4 6708 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000209853_100000760354 [0,0,0,1,0,0|3,0,0]=4 6709 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000739158_100000189650 [0,0,0,1,0,0|3,0,0]=4 6710 B14R1.427 CC(=O)NCCOCCC1CCCC1 34a_100000158858_100000760354 [0,0,0,1,0,0|3,0,0]=4 6711 B14R1.427 CC(=O)NCCOCCC1CCCC1 7a_100000749090_100000189650 [0,0,0,1,0,0|3,0,0]=4 6712 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000189650_100000760354 [0,0,0,1,0,0|3,0,0]=4 6713 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000760354_100000189650 [0,0,0,1,0,0|3,0,0]=4 6714 B14R1.427 CC(=O)OCCCCCN1CCCC1 2230a_100000188435_100009813381 [0,0,0,1,0,0|3,0,0]=4 6715 B14R1.427 CC(=O)OCCCCCN1CCCC1 269982a_100000188435_100000033007 [0,0,0,1,0,0|3,0,0]=4 6716 B14R1.427 CC(=O)OCCCCNC1CCCC1 34a_100000211070_100000033659 [0,0,0,1,0,0|3,0,0]=4 6717 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000073216_100000179811 [0,0,0,1,0,0|3,0,0]=4 6718 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000210269_100000033659 [0,0,0,1,0,0|3,0,0]=4 6719 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000073216_100000179811 [0,0,0,1,0,0|3,0,0]=4 6720 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000210269_100000033659 [0,0,0,1,0,0|3,0,0]=4 6721 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100000033659_100000179811 [0,0,0,1,0,0|3,0,0]=4 6722 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100011217020_100000033659 [0,0,0,1,0,0|3,0,0]=4 6723 B14R1.427 CC(=O)OCCCNCC1CCCC1 34a_100000737975_100000042594 [0,0,0,1,0,0|3,0,0]=4 6724 B14R1.427 CC(=O)OCCCOCC1CCCC1 34a_100000742336_100000042594 [0,0,0,1,0,0|3,0,0]=4 6725 B14R1.427 CC(=O)OCCCOCC1CCCC1 7a_100000742336_100000042594 [0,0,0,1,0,0|3,0,0]=4 6726 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000042594_100000740388 [0,0,0,1,0,0|3,0,0]=4 6727 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000740388_100000042594 [0,0,0,1,0,0|3,0,0]=4 6728 B14R1.427 CC(=O)OCCNCCC1CCCC1 34a_100000739158_100009814007 [0,0,0,1,0,0|3,0,0]=4 6729 B14R1.427 CC(=O)OCCOCCC1CCCC1 34a_100000749090_100009814007 [0,0,0,1,0,0|3,0,0]=4 6730 B14R1.427 CC(=O)OCCOCCC1CCCC1 7a_100000749090_100009814007 [0,0,0,1,0,0|3,0,0]=4 6731 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100000760354_100009814007 [0,0,0,1,0,0|3,0,0]=4 6732 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100009814007_100000760354 [0,0,0,1,0,0|3,0,0]=4 6733 B14R1.427 CC(=O)OCNCCCC1CCCC1 34a_100000736752_100009813279 [0,0,0,1,0,0|3,0,0]=4 6734 B14R1.427 CC(=O)OCOCCCC1CCCC1 34a_100011215328_100009813279 [0,0,0,1,0,0|3,0,0]=4 6735 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100000076356_100011713738 [0,0,0,1,0,0|3,0,0]=4 6736 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100011713738_100000076356 [0,0,0,1,0,0|3,0,0]=4 6737 B14R1.427 CC(=O)SCCCCNC1CCCC1 2230a_100000211070_200010402107 [0,0,0,1,0,0|3,0,0]=4 6738 B14R1.427 CC(=O)SCCCCNC1CCCC1 34a_100000211070_200010402107 [0,0,0,1,0,0|3,0,0]=4 6739 B14R1.427 CC(=O)SCCCCOC1CCCC1 34a_100000210269_200010402107 [0,0,0,1,0,0|3,0,0]=4 6740 B14R1.427 CC(=O)SCCCCOC1CCCC1 7a_100000210269_200010402107 [0,0,0,1,0,0|3,0,0]=4 6741 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_100011217020_200010402107 [0,0,0,1,0,0|3,0,0]=4 6742 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_200010402107_100000179811 [0,0,0,1,0,0|3,0,0]=4 6743 B14R1.427 CC(=O)SCCCNCC1CCCC1 2230a_100000737975_100000038929 [0,0,0,1,0,0|3,0,0]=4 6744 B14R1.427 CC(=O)SCCCNCC1CCCC1 34a_100000737975_100000038929 [0,0,0,1,0,0|3,0,0]=4 6745 B14R1.427 CC(=O)SCCCOCC1CCCC1 34a_100000742336_100000038929 [0,0,0,1,0,0|3,0,0]=4 6746 B14R1.427 CC(=O)SCCCOCC1CCCC1 7a_100000742336_100000038929 [0,0,0,1,0,0|3,0,0]=4 6747 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000038929_100000740388 [0,0,0,1,0,0|3,0,0]=4 6748 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000740388_100000038929 [0,0,0,1,0,0|3,0,0]=4 6749 B14R1.427 CC(O)CCCNCCC1CCCC1 2230a_100000739158_200000718107 [0,0,0,1,0,0|2,0,1]=4 6750 B14R1.427 CC(O)CCCNCCC1CCCC1 34a_100000739158_200000718107 [0,0,0,1,0,0|2,0,1]=4 6751 B14R1.427 CC(O)CCCOCCC1CCCC1 34a_100000749090_200000718107 [0,0,0,1,0,0|2,0,1]=4 6752 B14R1.427 CC(O)CCCOCCC1CCCC1 7a_100000749090_200000718107 [0,0,0,1,0,0|2,0,1]=4 6753 B14R1.427 CC(O)CCCSCCC1CCCC1 62a_100000760354_200000718107 [0,0,0,1,0,0|2,0,1]=4 6754 B14R1.427 CC(O)CCCSCCC1CCCC1 62a_200000718107_100000760354 [0,0,0,1,0,0|2,0,1]=4 6755 B14R1.427 CC(O)CCNCCCC1CCCC1 2230a_100000736752_100012276601 [0,0,0,1,0,0|2,0,1]=4 6756 B14R1.427 CC(O)CCNCCCC1CCCC1 2230a_200000755665_100011713738 [0,0,0,1,0,0|2,0,1]=4 6757 B14R1.427 CC(O)CCNCCCC1CCCC1 34a_100000736752_100012276601 [0,0,0,1,0,0|2,0,1]=4 6758 B14R1.427 CC(O)CCOCCCC1CCCC1 34a_100011215328_100012276601 [0,0,0,1,0,0|2,0,1]=4 6759 B14R1.427 CC(O)CCOCCCC1CCCC1 7a_100011215328_100012276601 [0,0,0,1,0,0|2,0,1]=4 6760 B14R1.427 CC(O)CCSCCCC1CCCC1 62a_100011713738_100012276601 [0,0,0,1,0,0|2,0,1]=4 6761 B14R1.427 CC(O)CCSCCCC1CCCC1 62a_100012276601_100011713738 [0,0,0,1,0,0|2,0,1]=4 6762 B14R1.427 CS(=O)CCCNCCC1CCCC1 2230a_200000753449_100000760354 [0,0,0,1,0,0|3,0,0]=4 6763 B14R1.427 NC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009817443 [0,0,0,1,0,0|2,0,0]=3 6764 B14R1.427 NC(=O)CCCCCNC1CCCC1 34a_100000211070_100009817443 [0,0,0,1,0,0|2,0,0]=3 6765 B14R1.427 NC(=O)CCCCCN[C@@H]1CCOC1 2230a_200015188469_100009817443 [0,0,0,1,0,0|3,0,0]=4 6766 B14R1.427 NC(=O)CCCCCN[C@H]1CCOC1 2230a_100015188467_100009817443 [0,0,0,1,0,0|3,0,0]=4 6767 B14R1.427 NC(=O)CCCCCN[C@H]1CCOC1 34a_100015188467_100009817443 [0,0,0,1,0,0|3,0,0]=4 6768 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000123541_100000179811 [0,0,0,1,0,0|2,0,0]=3 6769 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000210269_100009817443 [0,0,0,1,0,0|2,0,0]=3 6770 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000123541_100000179811 [0,0,0,1,0,0|2,0,0]=3 6771 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000210269_100009817443 [0,0,0,1,0,0|2,0,0]=3 6772 B14R1.427 NC(=O)CCCCCOC1CCCO1 34a_100000085407_100009817443 [0,0,0,1,0,0|3,0,0]=4 6773 B14R1.427 NC(=O)CCCCCOC1CCOC1 34a_100000123541_100000690089 [0,0,0,1,0,0|3,0,0]=4 6774 B14R1.427 NC(=O)CCCCCOC1CCOC1 7a_100000123541_100000731011 [0,0,0,1,0,0|3,0,0]=4 6775 B14R1.427 NC(=O)CCCCCOC1CCSC1 7a_100011232664_100009817443 [0,0,0,1,0,0|3,0,0]=4 6776 B14R1.427 NC(=O)CCCCCO[C@H]1CCOC1 34a_100000717292_100009817443 [0,0,0,1,0,0|3,0,0]=4 6777 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100009817443_100000179811 [0,0,0,1,0,0|2,0,0]=3 6778 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100011217020_100009817443 [0,0,0,1,0,0|2,0,0]=3 6779 B14R1.427 NC(=O)CCCCCSC1CCOC1 62a_100009817443_100000690089 [0,0,0,1,0,0|3,0,0]=4 6780 B14R1.427 NC(=O)CCCCNCC1CCCC1 269862a_100000696515_100000746403 [0,0,0,1,0,0|2,0,0]=3 6781 B14R1.427 NC(=O)CCCCNCC1CCCC1 34a_100000696515_100000740388 [0,0,0,1,0,0|2,0,0]=3 6782 B14R1.427 NC(=O)CCCCNCC1CCOC1 34a_100000696515_100011261433 [0,0,0,1,0,0|3,0,0]=4 6783 B14R1.427 NC(=O)CCCCOCC1CCCC1 34a_100012022536_100000740388 [0,0,0,1,0,0|2,0,0]=3 6784 B14R1.427 NC(=O)CCCCOCC1CCCC1 7a_100012022536_100000740388 [0,0,0,1,0,0|2,0,0]=3 6785 B14R1.427 NC(=O)CCCCOCC1CCCO1 7a_100012022536_100000203698 [0,0,0,1,0,0|3,0,0]=4 6786 B14R1.427 NC(=O)CCCCOCC1CCOC1 34a_100012022536_100011261433 [0,0,0,1,0,0|3,0,0]=4 6787 B14R1.427 NC(=O)CCCCOCC1CCOC1 7a_100012022536_100000702531 [0,0,0,1,0,0|3,0,0]=4 6788 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739158_100102525003 [0,0,0,1,0,0|2,0,0]=3 6789 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739312_100000760354 [0,0,0,1,0,0|2,0,0]=3 6790 B14R1.427 NC(=O)CCCOCCC1CCCC1 34a_100000749090_100102525003 [0,0,0,1,0,0|2,0,0]=3 6791 B14R1.427 NC(=O)CCCOCCC1CCCC1 7a_100000749090_100102525003 [0,0,0,1,0,0|2,0,0]=3 6792 B14R1.427 NC(=O)CCCOCCC1CCNC1 34a_100016987287_100102525003 [0,0,0,1,0,0|3,0,0]=4 6793 B14R1.427 NC(=O)CCCOCCC1CCOC1 34a_100011879284_100102525003 [0,0,0,1,0,0|3,0,0]=4 6794 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100000760354_100102525003 [0,0,0,1,0,0|2,0,0]=3 6795 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100102525003_100000760354 [0,0,0,1,0,0|2,0,0]=3 6796 B14R1.427 NC(=O)CCCSCCN1CCCC1 62a_100000700749_100102525003 [0,0,0,1,0,0|3,0,0]=4 6797 B14R1.427 NC(=O)CCCSCCN1CCCC1 62a_100102525003_100000004467 [0,0,0,1,0,0|3,0,0]=4 6798 B14R1.427 NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000744528 [0,0,0,1,0,0|2,0,0]=3 6799 B14R1.427 NC(=O)CCNCCCC1CCCC1 34a_100000736752_100000731001 [0,0,0,1,0,0|2,0,0]=3 6800 B14R1.427 NC(=O)CCNCCOC1CCCC1 34a_100000741755_100000731001 [0,0,0,1,0,0|3,0,0]=4 6801 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100000757172_100011713738 [0,0,0,1,0,0|2,0,0]=3 6802 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100011215328_100000731001 [0,0,0,1,0,0|2,0,0]=3 6803 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100000757172_100011713738 [0,0,0,1,0,0|2,0,0]=3 6804 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000744528 [0,0,0,1,0,0|2,0,0]=3 6805 B14R1.427 NC(=O)CCOCCCN1CCCC1 34a_100000757172_100016991639 [0,0,0,1,0,0|3,0,0]=4 6806 B14R1.427 NC(=O)CCOCCCN1CCCC1 7a_100000757172_100011445909 [0,0,0,1,0,0|3,0,0]=4 6807 B14R1.427 NC(=O)CCOCCNC1CCCC1 34a_200000200444_100000731001 [0,0,0,1,0,0|3,0,0]=4 6808 B14R1.427 NC(=O)CCOCCOC1CCCC1 34a_100000738311_100000731001 [0,0,0,1,0,0|3,0,0]=4 6809 B14R1.427 NC(=O)CCOCCOC1CCCC1 7a_100000738311_100000744528 [0,0,0,1,0,0|3,0,0]=4 6810 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100000744528_100011713738 [0,0,0,1,0,0|2,0,0]=3 6811 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000744528 [0,0,0,1,0,0|2,0,0]=3 6812 B14R1.427 NC(=O)CCSCCCN1CCCC1 62a_100000744528_100011445909 [0,0,0,1,0,0|3,0,0]=4 6813 B14R1.427 NC(=O)CCSCCCN1CCCC1 62a_100016991639_100000744528 [0,0,0,1,0,0|3,0,0]=4 6814 B14R1.427 NC(=O)CNCCCOC1CCCC1 34a_100000747560_100000187820 [0,0,0,1,0,0|3,0,0]=4 6815 B14R1.427 NC(=O)COCCNCC1CCCC1 2230a_100000737975_100000076697 [0,0,0,1,0,0|3,0,0]=4 6816 B14R1.427 NC(=O)COCCNCC1CCCC1 34a_100000737975_100000076697 [0,0,0,1,0,0|3,0,0]=4 6817 B14R1.427 NC(=O)COCCOCC1CCCC1 34a_100000742336_100000076697 [0,0,0,1,0,0|3,0,0]=4 6818 B14R1.427 NC(=O)COCCOCC1CCCC1 7a_100000742336_100000076697 [0,0,0,1,0,0|3,0,0]=4 6819 B14R1.427 NC(=O)COCCSCC1CCCC1 62a_100000076697_100000740388 [0,0,0,1,0,0|3,0,0]=4 6820 B14R1.427 NC(=O)COCCSCC1CCCC1 62a_100000740388_100000076697 [0,0,0,1,0,0|3,0,0]=4 6821 B14R1.427 NC(=O)NCCNCCC1CCCC1 2230a_100000739158_200000034859 [0,0,0,1,0,0|3,0,0]=4 6822 B14R1.427 NC(=O)NCCNCCC1CCCC1 34a_100020590234_100000760354 [0,0,0,1,0,0|3,0,0]=4 6823 B14R1.427 NC(=O)NCCOCCC1CCCC1 34a_100000181757_100000760354 [0,0,0,1,0,0|3,0,0]=4 6824 B14R1.427 NC(=O)NCCOCCC1CCCC1 7a_100000749090_200000034859 [0,0,0,1,0,0|3,0,0]=4 6825 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_100000760354_200000034859 [0,0,0,1,0,0|3,0,0]=4 6826 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_200000034859_100000760354 [0,0,0,1,0,0|3,0,0]=4 6827 B14R1.427 NC(=O)OCCNCCC1CCCC1 34a_100000739158_200011214921 [0,0,0,1,0,0|3,0,0]=4 6828 B14R1.427 NC(=O)OCCOCCC1CCCC1 34a_100000749090_200011214921 [0,0,0,1,0,0|3,0,0]=4 6829 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000749090_200011214921 [0,0,0,1,0,0|3,0,0]=4 6830 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000766696_100000760354 [0,0,0,1,0,0|3,0,0]=4 6831 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_100000760354_200011214921 [0,0,0,1,0,0|3,0,0]=4 6832 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_200011214921_100000760354 [0,0,0,1,0,0|3,0,0]=4 6833 B14R1.427 O=C(O)CNCCCCC1OCCO1 269956a_100016091260_100000034956 [0,0,0,1,0,0|3,0,0]=4 6834 B14R1.427 O=C(O)COCCNCC1CCCC1 269956a_100000700818_100000740388 [0,0,0,1,0,0|2,0,0]=3 6835 B14R1.427 O=C(O)COCCNCC1CCCO1 269956a_100000700818_100000183445 [0,0,0,1,0,0|3,0,0]=4 6836 B14R1.427 O=C(O)COCCNCC1CCOC1 269956a_100000700818_100011261433 [0,0,0,1,0,0|3,0,0]=4 6837 B14R1.427 O=C(O)CONCCCC1CCCC1 269956a_100000106656_100011713738 [0,0,0,1,0,0|2,0,0]=3 6838 B14R1.427 O=C(O)CONCCCN1CCCC1 269956a_100000106656_100011445909 [0,0,0,1,0,0|3,0,0]=4 6839 B14R1.427 O=C([O-])CCCCCOC1CCCC1 7a_100102619762_100000179811 [0,0,0,1,0,0|1,0,1]=3 6840 B14R1.427 O=C([O-])CCCCCOC1CCOC1 7a_100102619762_100000731011 [0,0,0,1,0,0|2,0,1]=4 6841 B14R1.427 O=C([O-])CNCCCOC1CCCC1 34a_100000747560_100020667443 [0,0,0,1,0,0|2,0,1]=4 6842 B14R1.427 O=[N+]([O-])CCCCOCC1CCCC1 34a_200015379883_100000740388 [0,0,0,1,0,0|2,0,1]=4 6843 B14R1.427 O=[N+]([O-])CCCCOCC1CCCC1 7a_200015379883_100000740388 [0,0,0,1,0,0|2,0,1]=4 6844 B14R1.427 O=[N+]([O-])CCCOCCC1CCCC1 34a_200000037920_100000760354 [0,0,0,1,0,0|2,0,1]=4 6845 B14R1.427 OB(O)CCCCCCN1CCCC1 2230a_100000188435_100009817187 [0,0,0,1,0,0|2,0,1]=4 6846 B14R1.427 OB(O)CCCCCCN1CCCC1 269982a_100000188435_100009817187 [0,0,0,1,0,0|2,0,1]=4 6847 B14R1.427 OB(O)CCCCCNC1CCCC1 2230a_100000211070_200009817188 [0,0,0,1,0,0|2,0,1]=4 6848 B14R1.427 OB(O)CCCCCNC1CCCC1 34a_100000211070_200009817188 [0,0,0,1,0,0|2,0,1]=4 6849 B14R1.427 OB(O)CCCCCOC1CCCC1 34a_100000210269_200009817188 [0,0,0,1,0,0|2,0,1]=4 6850 B14R1.427 OB(O)CCCCCOC1CCCC1 7a_100000210269_200009817188 [0,0,0,1,0,0|2,0,1]=4 6851 B14R1.427 OB(O)CCCCCSC1CCCC1 62a_100011217020_200009817188 [0,0,0,1,0,0|2,0,1]=4 6852 B14R1.427 OB(O)CCCCCSC1CCCC1 62a_200009817188_100000179811 [0,0,0,1,0,0|2,0,1]=4 6853 B14R1.427 OB(O)CCCCNCC1CCCC1 2230a_100000737975_200009817182 [0,0,0,1,0,0|2,0,1]=4 6854 B14R1.427 OB(O)CCCCNCC1CCCC1 34a_100000737975_200009817182 [0,0,0,1,0,0|2,0,1]=4 6855 B14R1.427 OB(O)CCCCOCC1CCCC1 34a_100000742336_200009817182 [0,0,0,1,0,0|2,0,1]=4 6856 B14R1.427 OB(O)CCCCOCC1CCCC1 7a_100000742336_200009817182 [0,0,0,1,0,0|2,0,1]=4 6857 B14R1.427 OB(O)CCCCSCC1CCCC1 62a_100000740388_200009817182 [0,0,0,1,0,0|2,0,1]=4 6858 B14R1.427 OB(O)CCCCSCC1CCCC1 62a_200009817182_100000740388 [0,0,0,1,0,0|2,0,1]=4 6859 B14R1.482 C#CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000184674 [0,0,0,1,0,0|1,0,2]=4 6860 B14R1.482 C=C(C)CCN1CCCCC1CCC 2230a_100000701414_100000730704 [0,0,0,1,0,0|3,0,0]=4 6861 B14R1.482 C=C(C)CCN1CCCCC1CCC 269982a_100000701414_100000730704 [0,0,0,1,0,0|3,0,0]=4 6862 B14R1.482 C=C(C)CCN1CCCCC1CCC 34a_100000701414_100000730704 [0,0,0,1,0,0|3,0,0]=4 6863 B14R1.482 C=C(C)COC1CCCCC1CCC 34a_100011217265_100000748629 [0,0,0,1,0,0|3,0,0]=4 6864 B14R1.482 C=C(C)COC1CCCCC1CCC 7a_100011217265_100000748629 [0,0,0,1,0,0|3,0,0]=4 6865 B14R1.482 C=C(F)COC1CCCCC1CCC 34a_100011217265_100009893438 [0,0,0,1,0,0|3,0,0]=4 6866 B14R1.482 C=C(F)COC1CCCCC1CCC 7a_100011217265_100000042424 [0,0,0,1,0,0|3,0,0]=4 6867 B14R1.482 C=CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210623 [0,0,0,1,0,0|1,0,2]=4 6868 B14R1.482 CC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000053229 [0,0,0,1,0,0|3,0,0]=4 6869 B14R1.482 CCCC1CCCCC1NCC(C)O 269862a_100000210904_100011218038 [0,0,0,1,0,0|2,0,1]=4 6870 B14R1.482 CCCC1CCCCC1NCC(C)O 270004a_100000210904_100011218038 [0,0,0,1,0,0|2,0,1]=4 6871 B14R1.482 CCCC1CCCCC1OCC(=O)N 34a_100011217265_100000187820 [0,0,0,1,0,0|2,0,0]=3 6872 B14R1.482 CCCC1CCCCC1OCC(=O)N 7a_100011217265_100000187820 [0,0,0,1,0,0|2,0,0]=3 6873 B14R1.482 CCCC1CCCCC1OCC(=O)[O-] 34a_100011217265_100020667443 [0,0,0,1,0,0|1,0,1]=3 6874 B14R1.482 CCCC1CCCCC1OCC(C)O 34a_100011217265_100011218427 [0,0,0,1,0,0|2,0,1]=4 6875 B14R1.482 CCCC1CCCCC1OCC(C)O 7a_100011217265_100011218427 [0,0,0,1,0,0|2,0,1]=4 6876 B14R1.482 CCCC1CCCCC1OC[C@@H](C)O 34a_100011217265_100009817552 [0,0,0,1,0,0|2,0,1]=4 6877 B14R1.482 CCCC1CCCCC1OC[C@@H](C)O 7a_100011217265_100009817552 [0,0,0,1,0,0|2,0,1]=4 6878 B14R1.482 CCCC1CCCCC1OC[N+](=O)[O-] 34a_100011217265_100000761209 [0,0,0,1,0,0|2,0,1]=4 6879 B14R1.482 CCCC1CCCCN1CCC(=O)C 269982a_100000701414_100000053229 [0,0,0,1,0,0|2,0,0]=3 6880 B14R1.482 CCCC1CCCCN1CCC(=O)N 2230a_100000701414_100000744528 [0,0,0,1,0,0|2,0,0]=3 6881 B14R1.482 CCCC1CCCCN1CCC(=O)N 269982a_100000701414_100000744528 [0,0,0,1,0,0|2,0,0]=3 6882 B14R1.482 CCCC1CCCCN1CCC(=O)N 34a_100000701414_100000731001 [0,0,0,1,0,0|2,0,0]=3 6883 B14R1.482 CCCC1CCCCN1CCC(C)O 2230a_100000701414_100012276601 [0,0,0,1,0,0|2,0,1]=4 6884 B14R1.482 CCCC1CCCCN1CCC(C)O 269982a_100000701414_100012276601 [0,0,0,1,0,0|2,0,1]=4 6885 B14R1.482 CCCC1CCCCN1CCC(C)O 34a_100000701414_100012276601 [0,0,0,1,0,0|2,0,1]=4 6886 B14R1.482 CCCC1CCCCN1COC(=O)C 269982a_100000701414_100000076356 [0,0,0,1,0,0|3,0,0]=4 6887 B14R1.482 CCCC1CCCCN1COC(=O)C 34a_100000701414_100009813279 [0,0,0,1,0,0|3,0,0]=4 6888 B14R1.482 CCCC1COCCN1CCC(=O)C 269982a_102495339903_100000053229 [0,0,0,1,0,0|3,0,0]=4 6889 B14R1.482 CCCC1COCCN1CCC(=O)N 2230a_102495339903_100000744528 [0,0,0,1,0,0|3,0,0]=4 6890 B14R1.482 CCCC1COCCN1CCC(=O)N 269982a_102495339903_100000744528 [0,0,0,1,0,0|3,0,0]=4 6891 B14R1.482 CCCC1COCCN1CCC(=O)N 34a_102495339903_100000731001 [0,0,0,1,0,0|3,0,0]=4 6892 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [0,0,0,1,0,0|1,0,0]=2 6893 B14R1.482 COCC1CCCCN1CCC(=O)C 269982a_100015184032_100000053229 [0,0,0,1,0,0|3,0,0]=4 6894 B14R1.482 COCC1CCCCN1CCC(=O)N 2230a_100015184032_100000744528 [0,0,0,1,0,0|3,0,0]=4 6895 B14R1.482 COCC1CCCCN1CCC(=O)N 269982a_100015184032_100000744528 [0,0,0,1,0,0|3,0,0]=4 6896 B14R1.482 COCC1CCCCN1CCC(=O)N 34a_100015184032_100000731001 [0,0,0,1,0,0|3,0,0]=4 6897 B14R1.482 COCN1CCCCC1CCC(=O)O 269956a_100000694054_100000766300 [0,0,0,1,0,0|2,0,0]=3 6898 B14R1.482 CSCN1CCCCC1CCC(=O)O 269956a_100000694054_100011218213 [0,0,0,1,0,0|2,0,0]=3 6899 B14R1.482 N#CCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215382 [0,0,0,1,0,0|2,0,1]=4 6900 B14R1.482 NC(=O)CCN1CCCCC1CCO 2230a_100000211664_100000744528 [0,0,0,1,0,0|3,0,0]=4 6901 B14R1.482 NC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000744528 [0,0,0,1,0,0|3,0,0]=4 6902 B14R1.482 NC(=O)CCN1CCCCC1CCO 34a_100000211664_100000731001 [0,0,0,1,0,0|3,0,0]=4 6903 B14R1.482 O=C(O)CCC1CCCCN1CCF 269956a_100000694054_100011217306 [0,0,0,1,0,0|2,0,0]=3 6904 B14R1.482 O=C(O)CCC1CCCCN1CCO 269956a_100000694054_100000211926 [0,0,0,1,0,0|2,0,0]=3 6905 B14R1.482 O=CCN1CCCCC1CCC(=O)O 269956a_100000694054_200015260668 [0,0,0,1,0,0|2,0,1]=4 6906 B14R1.498 CCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000723119 [0,0,0,1,0,0|2,0,0]=3 6907 B14R1.498 CCCC1CCCC1NCCC(C)O 269862a_200000755665_100000723119 [0,0,0,1,0,0|2,0,1]=4 6908 B14R1.498 CCCC1CCCC1NCCC(C)O 270004a_200000755665_100000723119 [0,0,0,1,0,0|2,0,1]=4 6909 B14R1.498 CCCN1CCCC1COCC(=O)N 34a_200000694710_100000187820 [0,0,0,1,0,0|3,0,0]=4 6910 B14R1.498 CCCN1CCCC1COCC(=O)N 7a_200000694710_100000187820 [0,0,0,1,0,0|3,0,0]=4 6911 B14R1.498 CCCN1CCCC1COCC(=O)[O-] 34a_200000694710_100020667443 [0,0,0,1,0,0|2,0,1]=4 6912 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)C 269982a_100020646714_100011215641 [0,0,0,1,0,0|3,0,0]=4 6913 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)C 34a_100020646714_100000685027 [0,0,0,1,0,0|3,0,0]=4 6914 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)N 269982a_100020646714_100102525003 [0,0,0,1,0,0|3,0,0]=4 6915 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)N 34a_100020646714_100102525003 [0,0,0,1,0,0|3,0,0]=4 6916 B14R1.651 C#CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000688953 [0,0,0,1,0,0|1,0,2]=4 6917 B14R1.651 C/C=C/CN1CCCCCC1C(=O)O 269956a_100000758484_100102629194 [0,0,0,1,0,0|1,0,2]=4 6918 B14R1.651 C=CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000754431 [0,0,0,1,0,0|1,0,2]=4 6919 B14R1.651 CC#CCN1CCCCCC1C(=O)O 269956a_100000758484_100000748600 [0,0,0,1,0,0|1,0,2]=4 6920 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [0,0,0,1,0,0|1,0,0]=2 6921 B14R1.651 CCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000739092 [0,0,0,1,0,0|2,0,0]=3 6922 B14R1.651 COCCN1CCCCCC1C(=O)O 269956a_100000758484_100000233755 [0,0,0,1,0,0|2,0,0]=3 6923 B14R1.651 CSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000212216 [0,0,0,1,0,0|2,0,0]=3 6924 B14R1.651 N#CCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215226 [0,0,0,1,0,0|2,0,1]=4 6925 B14R1.651 O=C(O)C1CCCCCN1CCCF 269956a_100000758484_100011934791 [0,0,0,1,0,0|2,0,0]=3 6926 B14R1.651 O=C(O)C1CCCCCN1CCCO 269956a_100000758484_100011215043 [0,0,0,1,0,0|2,0,0]=3 6927 B14R1.767 C=C1CC(C1)CNCCCCCCC 2230a_100102567296_100000210681 [0,0,0,1,0,0|3,0,0]=4 6928 B14R1.767 C=C1CC(C1)CNCCCCCCC 34a_100102567296_100000210614 [0,0,0,1,0,0|3,0,0]=4 6929 B14R1.767 C=C1CC(C1)COCCCCCCC 34a_100011011225_100000210614 [0,0,0,1,0,0|3,0,0]=4 6930 B14R1.767 C=C1CC(C1)NCCCCCCCC 2230a_100132301982_100000210759 [0,0,0,1,0,0|3,0,0]=4 6931 B14R1.767 CCCCCCCCCN1CC(C1)O 269982a_100000749847_100000210670 [0,0,0,1,0,0|2,0,1]=4 6932 B14R1.767 CCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210759 [0,0,0,1,0,0|2,0,1]=4 6933 B14R1.767 CCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210317 [0,0,0,1,0,0|2,0,0]=3 6934 B14R1.767 CCCCCCCNCC1CC(=O)C1 2230a_100000229938_100009874392 [0,0,0,1,0,0|2,0,0]=3 6935 B14R1.767 CCCCCCCNCC1CC(C1)O 2230a_100016992100_100000210681 [0,0,0,1,0,0|2,0,1]=4 6936 B14R1.767 CCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210614 [0,0,0,1,0,0|2,0,0]=3 6937 B14R1.767 CCCCCCCOCC1CC(=O)C1 7a_100000210272_100009874392 [0,0,0,1,0,0|2,0,0]=3 6938 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100000210614_100009874392 [0,0,0,1,0,0|2,0,0]=3 6939 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210316 [0,0,0,1,0,0|2,0,0]=3 6940 B14R1.767 CCCCOCCOCC1CC(=O)C1 34a_100000101936_100000743108 [0,0,0,1,0,0|3,0,0]=4 6941 B14R1.767 CCCCOCCOCC1CC(=O)C1 7a_100000210238_100009874392 [0,0,0,1,0,0|3,0,0]=4 6942 B14R1.767 CCCCOCCSCC1CC(=O)C1 62a_100000743108_100009874392 [0,0,0,1,0,0|3,0,0]=4 6943 B14R1.767 CCCCOCCSCC1CC(=O)C1 62a_100009874392_100000743108 [0,0,0,1,0,0|3,0,0]=4 6944 B14R1.767 CCCCSCCNCC1CC(=O)C1 2230a_100025743550_100009874392 [0,0,0,1,0,0|3,0,0]=4 6945 B14R1.767 CCCCSCCOCC1CC(=O)C1 7a_200000230436_100009874392 [0,0,0,1,0,0|3,0,0]=4 6946 B14R1.767 CCCOCCCNCC1CC(=O)C1 2230a_100011217757_100009874392 [0,0,0,1,0,0|3,0,0]=4 6947 B14R1.767 COCCCCCCSC1CC(=O)C1 62a_100009894365_100011998445 [0,0,0,1,0,0|3,0,0]=4 6948 B14R1.767 COCCCCCNCC1CC(=O)C1 2230a_100000747528_100009874392 [0,0,0,1,0,0|3,0,0]=4 6949 B14R1.767 O=C1CC(C1)CNCCCCCCO 2230a_100000686447_100009874392 [0,0,0,1,0,0|3,0,0]=4 6950 B14R1.767 O=C1CC(C1)COCCCCCCBr 7a_100011215345_100009874392 [0,0,0,1,0,0|3,0,0]=4 6951 B14R1.767 O=C1CC(C1)COCCCCCCCl 7a_100000766143_100009874392 [0,0,0,1,0,0|3,0,0]=4 6952 B14R1.767 O=C1CC(C1)COCCCCCCF 34a_100000101936_100015922095 [0,0,0,1,0,0|3,0,0]=4 6953 B14R1.767 O=C1CC(C1)COCCCCCCF 7a_100000732779_100009874392 [0,0,0,1,0,0|3,0,0]=4 6954 B14R1.767 O=C1CC(C1)COCCCCCCO 34a_100000101936_100000766143 [0,0,0,1,0,0|3,0,0]=4 6955 B14R1.767 O=C1CC(C1)CSCCCCCCF 62a_100009874392_100015922095 [0,0,0,1,0,0|3,0,0]=4 6956 B14R1.767 O=C1CC(C1)CSCCCCCCF 62a_100015922095_100009874392 [0,0,0,1,0,0|3,0,0]=4 6957 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100000766143_100009874392 [0,0,0,1,0,0|3,0,0]=4 6958 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100009874392_100000766143 [0,0,0,1,0,0|3,0,0]=4 6959 B14R1.767 O=C1CC(C1)SCCCCCCCO 62a_100009894365_100000760002 [0,0,0,1,0,0|3,0,0]=4 6960 B14R1.786 CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210211 [0,0,0,1,0,0|2,0,0]=3 6961 B14R1.786 CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210211 [0,0,0,1,0,0|2,0,0]=3 6962 B14R1.786 CCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210210 [0,0,0,1,0,0|2,0,0]=3 6963 B14R1.786 CCOCN1CCCCC1CC(=O)N 269982a_100015184752_100000739092 [0,0,0,1,0,0|3,0,0]=4 6964 B14R1.786 COCCC1CCCCN1CC(=O)N 2230a_100015186528_100000747473 [0,0,0,1,0,0|3,0,0]=4 6965 B14R1.786 COCCC1CCCCN1CC(=O)N 269982a_100015186528_100000187820 [0,0,0,1,0,0|3,0,0]=4 6966 B14R1.786 COCCC1CCCCN1CC(=O)N 34a_100015186528_100000187820 [0,0,0,1,0,0|3,0,0]=4 6967 B14R1.786 COCCC1CCCCN1CC(=O)[O-] 269982a_100015186528_100020667443 [0,0,0,1,0,0|2,0,1]=4 6968 B14R1.786 COCCC1CCCCN1CC(=O)[O-] 34a_100015186528_100020667443 [0,0,0,1,0,0|2,0,1]=4 6969 B14R1.786 COCCN1CCCCC1CC(=O)N 2230a_100015184752_100011201679 [0,0,0,1,0,0|3,0,0]=4 6970 B14R1.786 COCCN1CCCCC1CC(=O)N 269982a_100015184752_100000233755 [0,0,0,1,0,0|3,0,0]=4 6971 B14R1.786 COCCN1CCCCC1CC(=O)N 34a_100015184752_100011201679 [0,0,0,1,0,0|3,0,0]=4 6972 B14R1.786 CSCCN1CCCCC1CC(=O)N 2230a_100015184752_100000751147 [0,0,0,1,0,0|3,0,0]=4 6973 B14R1.786 CSCCN1CCCCC1CC(=O)N 269982a_100015184752_100000212216 [0,0,0,1,0,0|3,0,0]=4 6974 B14R1.786 CSCCN1CCCCC1CC(=O)N 34a_100015184752_100000212216 [0,0,0,1,0,0|3,0,0]=4 6975 B14R1.786 NC(=O)CC1CCCCN1CCCF 2230a_100015184752_100011934791 [0,0,0,1,0,0|3,0,0]=4 6976 B14R1.786 NC(=O)CC1CCCCN1CCCF 269982a_100015184752_100011934791 [0,0,0,1,0,0|3,0,0]=4 6977 B14R1.786 NC(=O)CC1CCCCN1CCCF 34a_100015184752_100011934791 [0,0,0,1,0,0|3,0,0]=4 6978 B14R1.786 NC(=O)CC1CCCCN1CCCO 2230a_100015184752_100000230001 [0,0,0,1,0,0|3,0,0]=4 6979 B14R1.786 NC(=O)CC1CCCCN1CCCO 269982a_100015184752_100011215043 [0,0,0,1,0,0|3,0,0]=4 6980 B14R1.786 NC(=O)CC1CCCCN1CCCO 34a_100015184752_100000230001 [0,0,0,1,0,0|3,0,0]=4 6981 B14R1.786 NC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000747473 [0,0,0,1,0,0|3,0,0]=4 6982 B14R1.786 NC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000187820 [0,0,0,1,0,0|3,0,0]=4 6983 B14R1.786 NC(=O)CN1CCCCC1CCCO 34a_100011934581_100000187820 [0,0,0,1,0,0|3,0,0]=4 6984 B14R1.786 O=C([O-])CN1CCCCC1CCCO 269982a_100011934581_100020667443 [0,0,0,1,0,0|2,0,1]=4 6985 B14R1.786 O=C([O-])CN1CCCCC1CCCO 34a_100011934581_100020667443 [0,0,0,1,0,0|2,0,1]=4 6986 B14R1.799 CCCCC1CCCC1NCC(C)O 269862a_100000210904_100000750825 [0,0,0,1,0,0|2,0,1]=4 6987 B14R1.799 CCCCC1CCCC1NCC(C)O 270004a_100000210904_100000750825 [0,0,0,1,0,0|2,0,1]=4 6988 B14R1.903 C#CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215417 [0,0,0,1,0,0|1,0,2]=4 6989 B14R1.903 C#CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000688953 [0,0,0,1,0,0|1,0,2]=4 6990 B14R1.903 C/C=C/CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100102629194 [0,0,0,1,0,0|1,0,2]=4 6991 B14R1.903 C=CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011713584 [0,0,0,1,0,0|1,0,2]=4 6992 B14R1.903 C=CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000754431 [0,0,0,1,0,0|1,0,2]=4 6993 B14R1.903 CC#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000748600 [0,0,0,1,0,0|1,0,2]=4 6994 B14R1.903 CC/C=C\CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100103147603 [0,0,0,1,0,0|1,0,2]=4 6995 B14R1.903 CCC#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009813939 [0,0,0,1,0,0|1,0,2]=4 6996 B14R1.903 CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210326 [0,0,0,1,0,0|2,0,0]=3 6997 B14R1.903 CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210215 [0,0,0,1,0,0|2,0,0]=3 6998 B14R1.903 CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000718602 [0,0,0,1,0,0|2,0,0]=3 6999 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [0,0,0,1,0,0|1,0,0]=2 7000 B14R1.903 CCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210326 [0,0,0,1,0,0|2,0,0]=3 7001 B14R1.903 CCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210326 [0,0,0,1,0,0|2,0,0]=3 7002 B14R1.903 CCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210326 [0,0,0,1,0,0|2,0,0]=3 7003 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [0,0,0,1,0,0|1,0,0]=2 7004 B14R1.903 CCOCCN1CCCCC1C(=O)N 2230a_100000181395_100011215890 [0,0,0,1,0,0|3,0,0]=4 7005 B14R1.903 CCOCCN1CCCCC1C(=O)N 269982a_100000181395_100011215890 [0,0,0,1,0,0|3,0,0]=4 7006 B14R1.903 CCOCCN1CCCCC1C(=O)N 34a_100000181395_100000210147 [0,0,0,1,0,0|3,0,0]=4 7007 B14R1.903 CCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210147 [0,0,0,1,0,0|2,0,0]=3 7008 B14R1.903 CCOCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210147 [0,0,0,1,0,0|3,0,0]=4 7009 B14R1.903 CCOCCN1CCSCC1C(=O)O 269956a_100011346106_100000210147 [0,0,0,1,0,0|3,0,0]=4 7010 B14R1.903 CCOCCN1CSCCC1C(=O)O 269956a_100015185162_100000210147 [0,0,0,1,0,0|3,0,0]=4 7011 B14R1.903 CCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000739092 [0,0,0,1,0,0|2,0,0]=3 7012 B14R1.903 CCSCCN1CCCCC1C(=O)N 2230a_100000181395_100000757381 [0,0,0,1,0,0|3,0,0]=4 7013 B14R1.903 CCSCCN1CCCCC1C(=O)N 269982a_100000181395_100000757381 [0,0,0,1,0,0|3,0,0]=4 7014 B14R1.903 CCSCCN1CCCCC1C(=O)N 34a_100000181395_100000757381 [0,0,0,1,0,0|3,0,0]=4 7015 B14R1.903 CCSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000757381 [0,0,0,1,0,0|2,0,0]=3 7016 B14R1.903 CCSCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000757381 [0,0,0,1,0,0|3,0,0]=4 7017 B14R1.903 CCSCCN1CCSCC1C(=O)O 269956a_100011346106_100000757381 [0,0,0,1,0,0|3,0,0]=4 7018 B14R1.903 CCSCCN1CSCCC1C(=O)O 269956a_100015185162_100000757381 [0,0,0,1,0,0|3,0,0]=4 7019 B14R1.903 COCCCC1CCCCN1C(=O)C 11a_100011804088_100015343762 [0,0,0,1,0,0|3,0,0]=4 7020 B14R1.903 COCCCC1CCCCN1C(=O)C 1626a_100011804088_100015343762 [0,0,0,1,0,0|3,0,0]=4 7021 B14R1.903 COCCCC1CCCCN1C(=O)C 240690a_100011804088_100015343762 [0,0,0,1,0,0|3,0,0]=4 7022 B14R1.903 COCCCC1CCCCN1C(=O)C 527a_100011804088_100103153847 [0,0,0,1,0,0|3,0,0]=4 7023 B14R1.903 COCCCN1CCCCC1C(=O)N 2230a_100000181395_100000740836 [0,0,0,1,0,0|3,0,0]=4 7024 B14R1.903 COCCCN1CCCCC1C(=O)N 269982a_100000181395_100000740836 [0,0,0,1,0,0|3,0,0]=4 7025 B14R1.903 COCCCN1CCCCC1C(=O)N 34a_100000181395_100000740836 [0,0,0,1,0,0|3,0,0]=4 7026 B14R1.903 COCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000740836 [0,0,0,1,0,0|2,0,0]=3 7027 B14R1.903 COCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000740836 [0,0,0,1,0,0|3,0,0]=4 7028 B14R1.903 COCCCN1CCSCC1C(=O)O 269956a_100011346106_100000740836 [0,0,0,1,0,0|3,0,0]=4 7029 B14R1.903 COCCCN1CSCCC1C(=O)O 269956a_100015185162_100000740836 [0,0,0,1,0,0|3,0,0]=4 7030 B14R1.903 COCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000233755 [0,0,0,1,0,0|2,0,0]=3 7031 B14R1.903 CSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000212216 [0,0,0,1,0,0|2,0,0]=3 7032 B14R1.903 N#CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000687738 [0,0,0,1,0,0|2,0,1]=4 7033 B14R1.903 N#CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215226 [0,0,0,1,0,0|2,0,1]=4 7034 B14R1.903 NC(=O)C1CCCCN1CCCCF 2230a_100000181395_100000729493 [0,0,0,1,0,0|3,0,0]=4 7035 B14R1.903 NC(=O)C1CCCCN1CCCCF 269982a_100000181395_100000729493 [0,0,0,1,0,0|3,0,0]=4 7036 B14R1.903 NC(=O)C1CCCCN1CCCCF 34a_100000181395_100000729493 [0,0,0,1,0,0|3,0,0]=4 7037 B14R1.903 NC(=O)C1CCCCN1CCCCO 2230a_100000181395_100000210776 [0,0,0,1,0,0|3,0,0]=4 7038 B14R1.903 NC(=O)C1CCCCN1CCCCO 269982a_100000181395_100000210776 [0,0,0,1,0,0|3,0,0]=4 7039 B14R1.903 NC(=O)C1CCCCN1CCCCO 34a_100000181395_100011216708 [0,0,0,1,0,0|3,0,0]=4 7040 B14R1.903 O=C(O)C1CCSCN1CCCCF 269956a_100015185162_100000729493 [0,0,0,1,0,0|3,0,0]=4 7041 B14R1.903 O=C(O)C1CCSCN1CCCCO 269956a_100015185162_100000210776 [0,0,0,1,0,0|3,0,0]=4 7042 B14R1.903 O=C(O)C1CSCCN1CCCCF 269956a_100011346106_100000729493 [0,0,0,1,0,0|3,0,0]=4 7043 B14R1.903 O=C(O)C1CSCCN1CCCCO 269956a_100011346106_100000210776 [0,0,0,1,0,0|3,0,0]=4 7044 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCF 269956a_100009816435_100011934791 [0,0,0,1,0,0|2,0,0]=3 7045 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCO 269956a_100009816435_100011215043 [0,0,0,1,0,0|2,0,0]=3 7046 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCF 269956a_100000763471_100000729493 [0,0,0,1,0,0|2,0,0]=3 7047 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCO 269956a_100000763471_100000210776 [0,0,0,1,0,0|2,0,0]=3 7048 B14R1.903 O=C(O)[C@H]1COCCN1CCCCF 269956a_100016993156_100000729493 [0,0,0,1,0,0|3,0,0]=4 7049 B14R1.903 O=C(O)[C@H]1COCCN1CCCCO 269956a_100016993156_100000210776 [0,0,0,1,0,0|3,0,0]=4 7050 B14R1.903 O=CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200011292268 [0,0,0,1,0,0|2,0,1]=4 7051 B14R1.1252 CCCCCCN1CCCCC(C1)O 2230a_100025706797_100000210314 [0,0,0,1,0,0|2,0,1]=4 7052 B14R1.1252 CCCCCCN1CCCCC(C1)O 269982a_100025706797_100000210757 [0,0,0,1,0,0|2,0,1]=4 7053 B14R1.1252 CCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210314 [0,0,0,1,0,0|3,0,0]=4 7054 B14R1.1454 C=C(C)CCNC1CCCCCCC1 2230a_100000211152_100000730704 [0,0,0,1,0,0|3,0,0]=4 7055 B14R1.1454 C=C(C)CCNC1CCCCCCC1 34a_100000211152_100000730704 [0,0,0,1,0,0|3,0,0]=4 7056 B14R1.1454 C=C(C)CCOC1CCCCCCC1 34a_100000210054_100000730704 [0,0,0,1,0,0|3,0,0]=4 7057 B14R1.1454 C=C(C)CCOC1CCCCCCC1 7a_100000210054_100000730704 [0,0,0,1,0,0|3,0,0]=4 7058 B14R1.1454 C=C(C)COCC1CCCCCCC1 34a_100011216312_100000748629 [0,0,0,1,0,0|3,0,0]=4 7059 B14R1.1454 C=C(C)COCC1CCCCCCC1 7a_100011216312_100000748629 [0,0,0,1,0,0|3,0,0]=4 7060 B14R1.1454 C=C(F)COCC1CCCCCCC1 34a_100011216312_100009893438 [0,0,0,1,0,0|3,0,0]=4 7061 B14R1.1454 C=C(F)COCC1CCCCCCC1 7a_100011216312_100000042424 [0,0,0,1,0,0|3,0,0]=4 7062 B14R1.1454 CC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011215641 [0,0,0,1,0,0|2,0,0]=3 7063 B14R1.1454 CC(=O)CCCN1CCCCCCC1 34a_100000211400_100000685027 [0,0,0,1,0,0|2,0,0]=3 7064 B14R1.1454 CC(=O)CCOC1CCCCCCC1 7a_100000210054_100000053229 [0,0,0,1,0,0|2,0,0]=3 7065 B14R1.1454 CC(=O)NCCC1CCCCCCC1 11a_100011532352_100015343762 [0,0,0,1,0,0|2,0,0]=3 7066 B14R1.1454 CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100015343762 [0,0,0,1,0,0|2,0,0]=3 7067 B14R1.1454 CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100015343762 [0,0,0,1,0,0|2,0,0]=3 7068 B14R1.1454 CC(=O)NCCC1CCCCCCC1 527a_100011532352_100103153847 [0,0,0,1,0,0|2,0,0]=3 7069 B14R1.1454 CC(=O)NCCN1CCCCCCC1 2230a_100000211400_100000189650 [0,0,0,1,0,0|3,0,0]=4 7070 B14R1.1454 CC(=O)NCCN1CCCCCCC1 269982a_100000211400_100000189650 [0,0,0,1,0,0|3,0,0]=4 7071 B14R1.1454 CC(=O)OCCN1CCCCCCC1 269982a_100000211400_100009814007 [0,0,0,1,0,0|3,0,0]=4 7072 B14R1.1454 CC(=O)OCCN1CCCCCCC1 34a_100000211400_100009814007 [0,0,0,1,0,0|3,0,0]=4 7073 B14R1.1454 CC(=O)OCNC1CCCCCCC1 34a_100000211152_100009813279 [0,0,0,1,0,0|3,0,0]=4 7074 B14R1.1454 CC(=O)OCOC1CCCCCCC1 34a_100000210054_100009813279 [0,0,0,1,0,0|3,0,0]=4 7075 B14R1.1454 CC(O)CCCN1CCCCCCC1 2230a_100000211400_200000718107 [0,0,0,1,0,0|2,0,1]=4 7076 B14R1.1454 CC(O)CCCN1CCCCCCC1 269982a_100000211400_200000718107 [0,0,0,1,0,0|2,0,1]=4 7077 B14R1.1454 CC(O)CCCN1CCCCCCC1 34a_100000211400_200000718107 [0,0,0,1,0,0|2,0,1]=4 7078 B14R1.1454 CC(O)CCNC1CCCCCCC1 2230a_100000211152_100012276601 [0,0,0,1,0,0|2,0,1]=4 7079 B14R1.1454 CC(O)CCNC1CCCCCCC1 270004a_200000755665_100000210524 [0,0,0,1,0,0|2,0,1]=4 7080 B14R1.1454 CC(O)CCNC1CCCCCCC1 34a_100000211152_100012276601 [0,0,0,1,0,0|2,0,1]=4 7081 B14R1.1454 CC(O)CCOC1CCCCCCC1 34a_100000210054_100012276601 [0,0,0,1,0,0|2,0,1]=4 7082 B14R1.1454 CC(O)CCOC1CCCCCCC1 7a_100000210054_100012276601 [0,0,0,1,0,0|2,0,1]=4 7083 B14R1.1454 CC(O)COCC1CCCCCCC1 34a_100011216312_100011218427 [0,0,0,1,0,0|2,0,1]=4 7084 B14R1.1454 CC(O)COCC1CCCCCCC1 7a_100011216312_100011218427 [0,0,0,1,0,0|2,0,1]=4 7085 B14R1.1454 C[C@@H](O)COCC1CCCCCCC1 34a_100011216312_100009817552 [0,0,0,1,0,0|2,0,1]=4 7086 B14R1.1454 C[C@@H](O)COCC1CCCCCCC1 7a_100011216312_100009817552 [0,0,0,1,0,0|2,0,1]=4 7087 B14R1.1454 NC(=O)CCCN1CCCCCCC1 269982a_100000211400_100102525003 [0,0,0,1,0,0|2,0,0]=3 7088 B14R1.1454 NC(=O)CCCN1CCCCCCC1 34a_100000211400_100102525003 [0,0,0,1,0,0|2,0,0]=3 7089 B14R1.1454 NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000744528 [0,0,0,1,0,0|2,0,0]=3 7090 B14R1.1454 NC(=O)CCNC1CCCCCCC1 34a_100000211152_100000731001 [0,0,0,1,0,0|2,0,0]=3 7091 B14R1.1454 NC(=O)CCOC1CCCCCCC1 34a_100000210054_100000731001 [0,0,0,1,0,0|2,0,0]=3 7092 B14R1.1454 NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000744528 [0,0,0,1,0,0|2,0,0]=3 7093 B14R1.1454 NC(=O)COCC1CCCCCCC1 34a_100011216312_100000187820 [0,0,0,1,0,0|2,0,0]=3 7094 B14R1.1454 NC(=O)COCC1CCCCCCC1 7a_100011216312_100000187820 [0,0,0,1,0,0|2,0,0]=3 7095 B14R1.1454 NC(=O)NCCN1CCCCCCC1 2230a_100000211400_200000034859 [0,0,0,1,0,0|3,0,0]=4 7096 B14R1.1454 NC(=O)NCCN1CCCCCCC1 269982a_100000211400_200000034859 [0,0,0,1,0,0|3,0,0]=4 7097 B14R1.1454 NC(=O)OCCN1CCCCCCC1 269982a_100000211400_200011214921 [0,0,0,1,0,0|3,0,0]=4 7098 B14R1.1454 NC(=O)OCCN1CCCCCCC1 34a_100000211400_200011214921 [0,0,0,1,0,0|3,0,0]=4 7099 B14R1.1454 O=C([O-])COCC1CCCCCCC1 34a_100011216312_100020667443 [0,0,0,1,0,0|1,0,1]=3 7100 B14R1.1454 O=[N+]([O-])COCC1CCCCCCC1 34a_100011216312_100000761209 [0,0,0,1,0,0|2,0,1]=4 7101 B14R1.3129 CCCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210314 [0,0,0,1,0,0|2,0,1]=4 7102 B14R1.3129 CCCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210314 [0,0,0,1,0,0|2,0,1]=4 7103 B14R1.3447 C#CCCCCCN1CCC1C(=O)O 269956a_100000021838_100012094781 [0,0,0,1,0,0|1,0,2]=4 7104 B14R1.3447 C=CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000700193 [0,0,0,1,0,0|1,0,2]=4 7105 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [0,0,0,1,0,0|1,0,0]=2 7106 B14R1.3447 CCCCOCCN1CCC1C(=O)O 269956a_100000021838_100000743108 [0,0,0,1,0,0|2,0,0]=3 7107 B14R1.3447 COCCOCCN1CCC1C(=O)O 269956a_100000021838_100000695917 [0,0,0,1,0,0|3,0,0]=4 7108 B14R1.3447 N#CCCCCCN1CCC1C(=O)O 269956a_100000021838_100009813376 [0,0,0,1,0,0|2,0,1]=4 7109 B14R1.3447 O=C(O)C1CCN1CCCCCCF 269956a_100000021838_100015922095 [0,0,0,1,0,0|2,0,0]=3 7110 B14R1.3447 O=C(O)C1CCN1CCCCCCO 269956a_100000021838_100000766143 [0,0,0,1,0,0|2,0,0]=3 7111 B14R1.3447 O=CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000139337 [0,0,0,1,0,0|2,0,1]=4 7112 B14R1.4521 CC(=O)CCCCOCCC1COC1 34a_100009855314_100009817362 [0,0,0,1,0,0|3,0,0]=4 7113 B14R1.4521 CC(=O)NCCCCCNC1CCC1 270004a_200012022750_100000241760 [0,0,0,1,0,0|3,0,0]=4 7114 B14R1.4521 CC(=O)NCCCCCNC1CCC1 34a_200012022750_100000749161 [0,0,0,1,0,0|3,0,0]=4 7115 B14R1.4521 CC(=O)NCCCCNCC1CCC1 2230a_200011368371_100000763275 [0,0,0,1,0,0|3,0,0]=4 7116 B14R1.4521 CC(=O)NCCCCNCC1CCC1 269862a_200011368371_100000753134 [0,0,0,1,0,0|3,0,0]=4 7117 B14R1.4521 CC(=O)NCCCCNCC1CCC1 34a_200011368371_100000763275 [0,0,0,1,0,0|3,0,0]=4 7118 B14R1.4521 CC(=O)OCCCCCNC1CCC1 2230a_100000749019_100009813381 [0,0,0,1,0,0|3,0,0]=4 7119 B14R1.4521 CC(=O)OCCCCCNC1CCC1 34a_100000749019_100000033007 [0,0,0,1,0,0|3,0,0]=4 7120 B14R1.4521 CC(=O)OCCCCCOC1CCC1 34a_100000748187_100000033007 [0,0,0,1,0,0|3,0,0]=4 7121 B14R1.4521 CC(=O)OCCCCCSC1CCC1 62a_100000033007_100000749161 [0,0,0,1,0,0|3,0,0]=4 7122 B14R1.4521 CC(=O)OCCCCNCC1CCC1 34a_100000738700_100000033659 [0,0,0,1,0,0|3,0,0]=4 7123 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000073216_100000763275 [0,0,0,1,0,0|3,0,0]=4 7124 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000760304_100000033659 [0,0,0,1,0,0|3,0,0]=4 7125 B14R1.4521 CC(=O)OCCCCOCC1CCC1 7a_100000073216_100000763275 [0,0,0,1,0,0|3,0,0]=4 7126 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000033659_100000763275 [0,0,0,1,0,0|3,0,0]=4 7127 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000763275_100000033659 [0,0,0,1,0,0|3,0,0]=4 7128 B14R1.4521 CC(=O)SCCCCNCC1CCC1 2230a_100000738700_200010402107 [0,0,0,1,0,0|3,0,0]=4 7129 B14R1.4521 CC(=O)SCCCCNCC1CCC1 34a_100000738700_200010402107 [0,0,0,1,0,0|3,0,0]=4 7130 B14R1.4521 CC(=O)SCCCCOCC1CCC1 34a_100000760304_200010402107 [0,0,0,1,0,0|3,0,0]=4 7131 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_100000763275_200010402107 [0,0,0,1,0,0|3,0,0]=4 7132 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_200010402107_100000763275 [0,0,0,1,0,0|3,0,0]=4 7133 B14R1.4521 NC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009817443 [0,0,0,1,0,0|2,0,0]=3 7134 B14R1.4521 NC(=O)CCCCCNCC1CCC1 34a_100000738700_100009817443 [0,0,0,1,0,0|2,0,0]=3 7135 B14R1.4521 NC(=O)CCCCCNCC1COC1 2230a_100015281925_100009817443 [0,0,0,1,0,0|3,0,0]=4 7136 B14R1.4521 NC(=O)CCCCCNCC1COC1 34a_100015281925_100009817443 [0,0,0,1,0,0|3,0,0]=4 7137 B14R1.4521 NC(=O)CCCCCNC[C@@H]1CCO1 2230a_100020831831_100009817443 [0,0,0,1,0,0|3,0,0]=4 7138 B14R1.4521 NC(=O)CCCCCNC[C@@H]1CCO1 34a_100020831831_100009817443 [0,0,0,1,0,0|3,0,0]=4 7139 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000123541_100000763275 [0,0,0,1,0,0|2,0,0]=3 7140 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000760304_100009817443 [0,0,0,1,0,0|2,0,0]=3 7141 B14R1.4521 NC(=O)CCCCCOCC1CCC1 7a_100000123541_100000763275 [0,0,0,1,0,0|2,0,0]=3 7142 B14R1.4521 NC(=O)CCCCCOCC1CCO1 34a_100000039022_100009817443 [0,0,0,1,0,0|3,0,0]=4 7143 B14R1.4521 NC(=O)CCCCCOCC1CCO1 34a_100000123541_100000103362 [0,0,0,1,0,0|3,0,0]=4 7144 B14R1.4521 NC(=O)CCCCCOCC1CCO1 7a_100000123541_100000103362 [0,0,0,1,0,0|3,0,0]=4 7145 B14R1.4521 NC(=O)CCCCCOCC1CNC1 34a_100016987283_100009817443 [0,0,0,1,0,0|3,0,0]=4 7146 B14R1.4521 NC(=O)CCCCCOCC1COC1 34a_100000060846_100009817443 [0,0,0,1,0,0|3,0,0]=4 7147 B14R1.4521 NC(=O)CCCCCOCC1COC1 34a_100000123541_100010264016 [0,0,0,1,0,0|3,0,0]=4 7148 B14R1.4521 NC(=O)CCCCCOCC1COC1 7a_100000123541_100010264016 [0,0,0,1,0,0|3,0,0]=4 7149 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100000763275_100009817443 [0,0,0,1,0,0|2,0,0]=3 7150 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100009817443_100000763275 [0,0,0,1,0,0|2,0,0]=3 7151 B14R1.4521 NC(=O)CCCCCSCC1CCO1 62a_100000103362_100009817443 [0,0,0,1,0,0|3,0,0]=4 7152 B14R1.4521 NC(=O)CCCCCSCC1CCO1 62a_100009817443_100000103362 [0,0,0,1,0,0|3,0,0]=4 7153 B14R1.4521 NC(=O)CCCCCSCC1COC1 62a_100009817443_100010264016 [0,0,0,1,0,0|3,0,0]=4 7154 B14R1.4521 NC(=O)CCCCCSCC1COC1 62a_100010264016_100009817443 [0,0,0,1,0,0|3,0,0]=4 7155 B14R1.4521 O=C([O-])CCCCCOCC1CCC1 7a_100102619762_100000763275 [0,0,0,1,0,0|1,0,1]=3 7156 B14R1.4521 O=C([O-])CCCCCOCC1CCO1 7a_100102619762_100000103362 [0,0,0,1,0,0|2,0,1]=4 7157 B14R1.4521 O=C([O-])CCCCCOCC1COC1 7a_100102619762_100010264016 [0,0,0,1,0,0|2,0,1]=4 7158 B14R1.4521 OB(O)CCCCCCNC1CCC1 2230a_100000749019_100009817187 [0,0,0,1,0,0|2,0,1]=4 7159 B14R1.4521 OB(O)CCCCCCNC1CCC1 34a_100000749019_100009817187 [0,0,0,1,0,0|2,0,1]=4 7160 B14R1.4521 OB(O)CCCCCCOC1CCC1 34a_100000748187_100009817187 [0,0,0,1,0,0|2,0,1]=4 7161 B14R1.4521 OB(O)CCCCCCSC1CCC1 62a_100009817187_100000749161 [0,0,0,1,0,0|2,0,1]=4 7162 B14R1.4521 OB(O)CCCCCNCC1CCC1 2230a_100000738700_200009817188 [0,0,0,1,0,0|2,0,1]=4 7163 B14R1.4521 OB(O)CCCCCNCC1CCC1 34a_100000738700_200009817188 [0,0,0,1,0,0|2,0,1]=4 7164 B14R1.4521 OB(O)CCCCCOCC1CCC1 34a_100000760304_200009817188 [0,0,0,1,0,0|2,0,1]=4 7165 B14R1.4521 OB(O)CCCCCSCC1CCC1 62a_100000763275_200009817188 [0,0,0,1,0,0|2,0,1]=4 7166 B14R1.4521 OB(O)CCCCCSCC1CCC1 62a_200009817188_100000763275 [0,0,0,1,0,0|2,0,1]=4 7167 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [0,0,0,1,0,0|1,0,0]=2 7168 B14R1.5254 O=C(O)[C@H]1CCCCCC[C@H]1NCF 269956a_200049070474_100015361967 [0,0,0,1,0,0|2,0,0]=3 7169 B14R1.6335 C=C(C)CCN1CCCCCCCC1 2230a_100000039187_100000730704 [0,0,0,1,0,0|3,0,0]=4 7170 B14R1.6335 C=C(C)CCN1CCCCCCCC1 269982a_100000039187_100000730704 [0,0,0,1,0,0|3,0,0]=4 7171 B14R1.6335 C=C(C)CCN1CCCCCCCC1 34a_100000039187_100000730704 [0,0,0,1,0,0|3,0,0]=4 7172 B14R1.6335 CC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000053229 [0,0,0,1,0,0|2,0,0]=3 7173 B14R1.6335 CC(=O)OCN1CCCCCCCC1 269982a_100000039187_100000076356 [0,0,0,1,0,0|3,0,0]=4 7174 B14R1.6335 CC(=O)OCN1CCCCCCCC1 34a_100000039187_100009813279 [0,0,0,1,0,0|3,0,0]=4 7175 B14R1.6335 CC(O)CCN1CCCCCCCC1 2230a_100000039187_100012276601 [0,0,0,1,0,0|2,0,1]=4 7176 B14R1.6335 CC(O)CCN1CCCCCCCC1 269982a_100000039187_100012276601 [0,0,0,1,0,0|2,0,1]=4 7177 B14R1.6335 CC(O)CCN1CCCCCCCC1 34a_100000039187_100012276601 [0,0,0,1,0,0|2,0,1]=4 7178 B14R1.6335 CC(O)CNC1CCCCCCCC1 270004a_100000210904_100000038600 [0,0,0,1,0,0|2,0,1]=4 7179 B14R1.6335 NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000744528 [0,0,0,1,0,0|2,0,0]=3 7180 B14R1.6335 NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000744528 [0,0,0,1,0,0|2,0,0]=3 7181 B14R1.6335 NC(=O)CCN1CCCCCCCC1 34a_100000039187_100000731001 [0,0,0,1,0,0|2,0,0]=3 7182 B14R1.6343 C=C(Br)CCOCC1CCCCCC1 34a_100009813270_200000696569 [0,0,0,1,0,0|3,0,0]=4 7183 B14R1.6343 C=C(C)CCNCC1CCCCCC1 2230a_100015204231_100000730704 [0,0,0,1,0,0|3,0,0]=4 7184 B14R1.6343 C=C(C)CCNCC1CCCCCC1 34a_100015204231_100000730704 [0,0,0,1,0,0|3,0,0]=4 7185 B14R1.6343 C=C(C)CCOCC1CCCCCC1 34a_100000699130_100000730704 [0,0,0,1,0,0|3,0,0]=4 7186 B14R1.6343 C=C(C)CCOCC1CCCCCC1 34a_100000764851_200000696569 [0,0,0,1,0,0|3,0,0]=4 7187 B14R1.6343 C=C(C)CCOCC1CCCCCC1 7a_100000699130_100000730704 [0,0,0,1,0,0|3,0,0]=4 7188 B14R1.6343 C=C(C)CCSCC1CCCCCC1 62a_100000730704_200000696569 [0,0,0,1,0,0|3,0,0]=4 7189 B14R1.6343 C=C(C)CCSCC1CCCCCC1 62a_200000696569_100000730704 [0,0,0,1,0,0|3,0,0]=4 7190 B14R1.6343 C=C(C)CNCCC1CCCCCC1 2230a_100011532351_100000748629 [0,0,0,1,0,0|3,0,0]=4 7191 B14R1.6343 C=C(C)CNCCC1CCCCCC1 34a_100011532351_100000748629 [0,0,0,1,0,0|3,0,0]=4 7192 B14R1.6343 C=C(F)CNCCC1CCCCCC1 2230a_100011532351_100009893438 [0,0,0,1,0,0|3,0,0]=4 7193 B14R1.6343 C=C(F)CNCCC1CCCCCC1 34a_100011532351_100009893438 [0,0,0,1,0,0|3,0,0]=4 7194 B14R1.6343 CC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000735457 [0,0,0,1,0,0|2,0,0]=3 7195 B14R1.6343 CC(=O)CCCCN1CCCCCC1 34a_100000185865_100009817362 [0,0,0,1,0,0|2,0,0]=3 7196 B14R1.6343 CC(=O)CCCCN1CCCOCC1 269982a_100000685342_100000735457 [0,0,0,1,0,0|3,0,0]=4 7197 B14R1.6343 CC(=O)CCCCN1CCCOCC1 34a_100000685342_100009817362 [0,0,0,1,0,0|3,0,0]=4 7198 B14R1.6343 CC(=O)CCCNC1CCCCCC1 34a_100000210984_100000685027 [0,0,0,1,0,0|2,0,0]=3 7199 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000210887_100000685027 [0,0,0,1,0,0|2,0,0]=3 7200 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000759063_100011217769 [0,0,0,1,0,0|2,0,0]=3 7201 B14R1.6343 CC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215641 [0,0,0,1,0,0|2,0,0]=3 7202 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011215641_100011217769 [0,0,0,1,0,0|2,0,0]=3 7203 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011217769_100011215641 [0,0,0,1,0,0|2,0,0]=3 7204 B14R1.6343 CC(=O)CCOCC1CCCCCC1 34a_100000759926_200000696569 [0,0,0,1,0,0|2,0,0]=3 7205 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000699130_100000053229 [0,0,0,1,0,0|2,0,0]=3 7206 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000759926_200000696569 [0,0,0,1,0,0|2,0,0]=3 7207 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_100000053229_200000696569 [0,0,0,1,0,0|2,0,0]=3 7208 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_200000696569_100000053229 [0,0,0,1,0,0|2,0,0]=3 7209 B14R1.6343 CC(=O)NCCCN1CCCCCC1 11a_100000181460_100015343762 [0,0,0,1,0,0|3,0,0]=4 7210 B14R1.6343 CC(=O)NCCCN1CCCCCC1 240690a_100000181460_100015343762 [0,0,0,1,0,0|3,0,0]=4 7211 B14R1.6343 CC(=O)NCCCN1CCCCCC1 527a_100000181460_100103153847 [0,0,0,1,0,0|3,0,0]=4 7212 B14R1.6343 CC(=O)NCCNC1CCCCCC1 2230a_100000210984_100000189650 [0,0,0,1,0,0|3,0,0]=4 7213 B14R1.6343 CC(=O)NCCOC1CCCCCC1 34a_100000158858_100011217769 [0,0,0,1,0,0|3,0,0]=4 7214 B14R1.6343 CC(=O)NCCOC1CCCCCC1 7a_100000210887_100000189650 [0,0,0,1,0,0|3,0,0]=4 7215 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100000189650_100011217769 [0,0,0,1,0,0|3,0,0]=4 7216 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100011217769_100000189650 [0,0,0,1,0,0|3,0,0]=4 7217 B14R1.6343 CC(=O)OCCCN1CCCCCC1 269982a_100000185865_100000042594 [0,0,0,1,0,0|3,0,0]=4 7218 B14R1.6343 CC(=O)OCCCN1CCCCCC1 34a_100000185865_100000042594 [0,0,0,1,0,0|3,0,0]=4 7219 B14R1.6343 CC(=O)OCCNC1CCCCCC1 34a_100000210984_100009814007 [0,0,0,1,0,0|3,0,0]=4 7220 B14R1.6343 CC(=O)OCCOC1CCCCCC1 34a_100000210887_100009814007 [0,0,0,1,0,0|3,0,0]=4 7221 B14R1.6343 CC(=O)OCCOC1CCCCCC1 7a_100000210887_100009814007 [0,0,0,1,0,0|3,0,0]=4 7222 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100009814007_100011217769 [0,0,0,1,0,0|3,0,0]=4 7223 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100011217769_100009814007 [0,0,0,1,0,0|3,0,0]=4 7224 B14R1.6343 CC(=O)OCNCC1CCCCCC1 34a_100015204231_100009813279 [0,0,0,1,0,0|3,0,0]=4 7225 B14R1.6343 CC(=O)OCOCC1CCCCCC1 34a_100000699130_100009813279 [0,0,0,1,0,0|3,0,0]=4 7226 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_100000076356_200000696569 [0,0,0,1,0,0|3,0,0]=4 7227 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_200000696569_100000076356 [0,0,0,1,0,0|3,0,0]=4 7228 B14R1.6343 CC(=O)SCCCN1CCCCCC1 2230a_100000185865_100000038929 [0,0,0,1,0,0|3,0,0]=4 7229 B14R1.6343 CC(=O)SCCCN1CCCCCC1 269982a_100000185865_100000038929 [0,0,0,1,0,0|3,0,0]=4 7230 B14R1.6343 CC(=O)SCCCN1CCCCCC1 34a_100000185865_100000038929 [0,0,0,1,0,0|3,0,0]=4 7231 B14R1.6343 CC(O)CCCNC1CCCCCC1 2230a_100000210984_200000718107 [0,0,0,1,0,0|2,0,1]=4 7232 B14R1.6343 CC(O)CCCNC1CCCCCC1 34a_100000210984_200000718107 [0,0,0,1,0,0|2,0,1]=4 7233 B14R1.6343 CC(O)CCCOC1CCCCCC1 34a_100000210887_200000718107 [0,0,0,1,0,0|2,0,1]=4 7234 B14R1.6343 CC(O)CCCOC1CCCCCC1 7a_100000210887_200000718107 [0,0,0,1,0,0|2,0,1]=4 7235 B14R1.6343 CC(O)CCCSC1CCCCCC1 62a_100011217769_200000718107 [0,0,0,1,0,0|2,0,1]=4 7236 B14R1.6343 CC(O)CCCSC1CCCCCC1 62a_200000718107_100011217769 [0,0,0,1,0,0|2,0,1]=4 7237 B14R1.6343 CC(O)CCNCC1CCCCCC1 2230a_100015204231_100012276601 [0,0,0,1,0,0|2,0,1]=4 7238 B14R1.6343 CC(O)CCNCC1CCCCCC1 2230a_200000755665_200000696569 [0,0,0,1,0,0|2,0,1]=4 7239 B14R1.6343 CC(O)CCNCC1CCCCCC1 269862a_200000755665_200000763224 [0,0,0,1,0,0|2,0,1]=4 7240 B14R1.6343 CC(O)CCNCC1CCCCCC1 34a_100015204231_100012276601 [0,0,0,1,0,0|2,0,1]=4 7241 B14R1.6343 CC(O)CCOCC1CCCCCC1 34a_100000699130_100012276601 [0,0,0,1,0,0|2,0,1]=4 7242 B14R1.6343 CC(O)CCOCC1CCCCCC1 7a_100000699130_100012276601 [0,0,0,1,0,0|2,0,1]=4 7243 B14R1.6343 CC(O)CCSCC1CCCCCC1 62a_100012276601_200000696569 [0,0,0,1,0,0|2,0,1]=4 7244 B14R1.6343 CC(O)CCSCC1CCCCCC1 62a_200000696569_100012276601 [0,0,0,1,0,0|2,0,1]=4 7245 B14R1.6343 CC(O)CNCCC1CCCCCC1 2230a_100011532351_100011218427 [0,0,0,1,0,0|2,0,1]=4 7246 B14R1.6343 CC(O)CNCCC1CCCCCC1 34a_100011532351_100011218427 [0,0,0,1,0,0|2,0,1]=4 7247 B14R1.6343 CS(=O)CCCNC1CCCCCC1 270004a_200000753449_100000210131 [0,0,0,1,0,0|3,0,0]=4 7248 B14R1.6343 C[C@@H](O)CNCCC1CCCCCC1 2230a_100011532351_100009817552 [0,0,0,1,0,0|2,0,1]=4 7249 B14R1.6343 C[C@@H](O)CNCCC1CCCCCC1 34a_100011532351_100009817552 [0,0,0,1,0,0|2,0,1]=4 7250 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000210984_100102525003 [0,0,0,1,0,0|2,0,0]=3 7251 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000739312_100011217769 [0,0,0,1,0,0|2,0,0]=3 7252 B14R1.6343 NC(=O)CCCOC1CCCCCC1 34a_100000210887_100102525003 [0,0,0,1,0,0|2,0,0]=3 7253 B14R1.6343 NC(=O)CCCOC1CCCCCC1 7a_100000210887_100102525003 [0,0,0,1,0,0|2,0,0]=3 7254 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100011217769_100102525003 [0,0,0,1,0,0|2,0,0]=3 7255 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100102525003_100011217769 [0,0,0,1,0,0|2,0,0]=3 7256 B14R1.6343 NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000744528 [0,0,0,1,0,0|2,0,0]=3 7257 B14R1.6343 NC(=O)CCNCC1CCCCCC1 269862a_100000740010_200000763224 [0,0,0,1,0,0|2,0,0]=3 7258 B14R1.6343 NC(=O)CCNCC1CCCCCC1 34a_100015204231_100000731001 [0,0,0,1,0,0|2,0,0]=3 7259 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000699130_100000731001 [0,0,0,1,0,0|2,0,0]=3 7260 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000757172_200000696569 [0,0,0,1,0,0|2,0,0]=3 7261 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000744528 [0,0,0,1,0,0|2,0,0]=3 7262 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000757172_200000696569 [0,0,0,1,0,0|2,0,0]=3 7263 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_100000744528_200000696569 [0,0,0,1,0,0|2,0,0]=3 7264 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000744528 [0,0,0,1,0,0|2,0,0]=3 7265 B14R1.6343 NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747473 [0,0,0,1,0,0|2,0,0]=3 7266 B14R1.6343 NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000187820 [0,0,0,1,0,0|2,0,0]=3 7267 B14R1.6343 NC(=O)COCCN1CCCCCC1 2230a_100000185865_100000076697 [0,0,0,1,0,0|3,0,0]=4 7268 B14R1.6343 NC(=O)COCCN1CCCCCC1 269982a_100000185865_100000076697 [0,0,0,1,0,0|3,0,0]=4 7269 B14R1.6343 NC(=O)COCCN1CCCCCC1 34a_100000185865_100000076697 [0,0,0,1,0,0|3,0,0]=4 7270 B14R1.6343 NC(=O)COCCN1CCCCCC1 34a_100000238007_100000187820 [0,0,0,1,0,0|3,0,0]=4 7271 B14R1.6343 NC(=O)CSCCN1CCCCCC1 62a_100000722644_100000747473 [0,0,0,1,0,0|3,0,0]=4 7272 B14R1.6343 NC(=O)CSCCN1CCCCCC1 62a_100000747473_100000722644 [0,0,0,1,0,0|3,0,0]=4 7273 B14R1.6343 NC(=O)NCCNC1CCCCCC1 2230a_100000210984_200000034859 [0,0,0,1,0,0|3,0,0]=4 7274 B14R1.6343 NC(=O)NCCNC1CCCCCC1 34a_100020590234_100011217769 [0,0,0,1,0,0|3,0,0]=4 7275 B14R1.6343 NC(=O)NCCOC1CCCCCC1 34a_100000181757_100011217769 [0,0,0,1,0,0|3,0,0]=4 7276 B14R1.6343 NC(=O)NCCOC1CCCCCC1 7a_100000210887_200000034859 [0,0,0,1,0,0|3,0,0]=4 7277 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_100011217769_200000034859 [0,0,0,1,0,0|3,0,0]=4 7278 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_200000034859_100011217769 [0,0,0,1,0,0|3,0,0]=4 7279 B14R1.6343 NC(=O)OCCNC1CCCCCC1 34a_100000210984_200011214921 [0,0,0,1,0,0|3,0,0]=4 7280 B14R1.6343 NC(=O)OCCOC1CCCCCC1 34a_100000210887_200011214921 [0,0,0,1,0,0|3,0,0]=4 7281 B14R1.6343 NC(=O)OCCOC1CCCCCC1 7a_100000210887_200011214921 [0,0,0,1,0,0|3,0,0]=4 7282 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_100011217769_200011214921 [0,0,0,1,0,0|3,0,0]=4 7283 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_200011214921_100011217769 [0,0,0,1,0,0|3,0,0]=4 7284 B14R1.6343 O=C(O)CNCCN1CCCCCC1 269956a_100016091260_100000722644 [0,0,0,1,0,0|2,0,0]=3 7285 B14R1.6343 O=C(O)CONCC1CCCCCC1 269956a_100000106656_200000696569 [0,0,0,1,0,0|2,0,0]=3 7286 B14R1.6343 O=C([O-])CNCCC1CCCCCC1 34a_100011532351_100020667443 [0,0,0,1,0,0|1,0,1]=3 7287 B14R1.6343 O=C([O-])COCCN1CCCCCC1 34a_100000238007_100020667443 [0,0,0,1,0,0|2,0,1]=4 7288 B14R1.6343 O=C([O-])CSCCN1CCCCCC1 62a_100000722644_100020667443 [0,0,0,1,0,0|2,0,1]=4 7289 B14R1.6343 O=C([O-])CSCCN1CCCCCC1 62a_100020667443_100000722644 [0,0,0,1,0,0|2,0,1]=4 7290 B14R1.6343 O=[N+]([O-])CCCOC1CCCCCC1 34a_200000037920_100011217769 [0,0,0,1,0,0|2,0,1]=4 7291 B14R1.6343 O=[N+]([O-])CNCCC1CCCCCC1 34a_100011532351_100000761209 [0,0,0,1,0,0|2,0,1]=4 7292 B14R1.6343 OB(O)CCCCN1CCCCCC1 2230a_100000185865_200009817182 [0,0,0,1,0,0|2,0,1]=4 7293 B14R1.6343 OB(O)CCCCN1CCCCCC1 269982a_100000185865_200009817182 [0,0,0,1,0,0|2,0,1]=4 7294 B14R1.6343 OB(O)CCCCN1CCCCCC1 34a_100000185865_200009817182 [0,0,0,1,0,0|2,0,1]=4 7295 B14R1.6388 CC(=O)CCCCOCCNC1CC1 34a_100000738766_100009817362 [0,0,0,1,0,0|3,0,0]=4 7296 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000733510_100000735457 [0,0,0,1,0,0|3,0,0]=4 7297 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000735457_100000733510 [0,0,0,1,0,0|3,0,0]=4 7298 B14R1.6388 CC(=O)NCCCCCCNC1CC1 34a_200011996284_100000211595 [0,0,0,1,0,0|3,0,0]=4 7299 B14R1.6388 CC(=O)NCCCCCNCC1CC1 2230a_200012022750_100000742324 [0,0,0,1,0,0|3,0,0]=4 7300 B14R1.6388 CC(=O)NCCCCCNCC1CC1 269862a_200012022750_100000741477 [0,0,0,1,0,0|3,0,0]=4 7301 B14R1.6388 CC(=O)NCCCCCNCC1CC1 34a_200012022750_100000742324 [0,0,0,1,0,0|3,0,0]=4 7302 B14R1.6388 CC(=O)NCCCCNCCC1CC1 2230a_200011368371_100000694398 [0,0,0,1,0,0|3,0,0]=4 7303 B14R1.6388 CC(=O)NCCCCNCCC1CC1 34a_200011368371_100000694398 [0,0,0,1,0,0|3,0,0]=4 7304 B14R1.6388 CC(=O)OCCCCCNCC1CC1 2230a_100000735609_100009813381 [0,0,0,1,0,0|3,0,0]=4 7305 B14R1.6388 CC(=O)OCCCCCNCC1CC1 34a_100000735609_100000033007 [0,0,0,1,0,0|3,0,0]=4 7306 B14R1.6388 CC(=O)OCCCCCOCC1CC1 34a_100000211283_100000033007 [0,0,0,1,0,0|3,0,0]=4 7307 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000033007_100000742324 [0,0,0,1,0,0|3,0,0]=4 7308 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000756562_100000033007 [0,0,0,1,0,0|3,0,0]=4 7309 B14R1.6388 CC(=O)OCCCCNCCC1CC1 34a_100000764129_100000033659 [0,0,0,1,0,0|3,0,0]=4 7310 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000073216_100000694398 [0,0,0,1,0,0|3,0,0]=4 7311 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000754188_100000033659 [0,0,0,1,0,0|3,0,0]=4 7312 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000073216_100000764125 [0,0,0,1,0,0|3,0,0]=4 7313 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000754188_100000033659 [0,0,0,1,0,0|3,0,0]=4 7314 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000033659_100000764125 [0,0,0,1,0,0|3,0,0]=4 7315 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000764125_100000033659 [0,0,0,1,0,0|3,0,0]=4 7316 B14R1.6388 CC(=O)SCCCCNCCC1CC1 34a_100000764129_200010402107 [0,0,0,1,0,0|3,0,0]=4 7317 B14R1.6388 CC(=O)SCCCCOCCC1CC1 34a_100000754188_200010402107 [0,0,0,1,0,0|3,0,0]=4 7318 B14R1.6388 CC(=O)SCCCCOCCC1CC1 7a_100000754188_200010402107 [0,0,0,1,0,0|3,0,0]=4 7319 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_100000764125_200010402107 [0,0,0,1,0,0|3,0,0]=4 7320 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_200010402107_100000764125 [0,0,0,1,0,0|3,0,0]=4 7321 B14R1.6388 NC(=O)CCCCCNCCC1CC1 34a_100000764129_100009817443 [0,0,0,1,0,0|2,0,0]=3 7322 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000123541_100000694398 [0,0,0,1,0,0|2,0,0]=3 7323 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000754188_100009817443 [0,0,0,1,0,0|2,0,0]=3 7324 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000123541_100000764125 [0,0,0,1,0,0|2,0,0]=3 7325 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000754188_100009817443 [0,0,0,1,0,0|2,0,0]=3 7326 B14R1.6388 NC(=O)CCCCCOCCC1CO1 34a_100000123541_100000732470 [0,0,0,1,0,0|3,0,0]=4 7327 B14R1.6388 NC(=O)CCCCCOCCC1CO1 7a_100000123541_100000732470 [0,0,0,1,0,0|3,0,0]=4 7328 B14R1.6388 NC(=O)CCCCCOCC[C@@H]1CO1 34a_100009820653_100009817443 [0,0,0,1,0,0|3,0,0]=4 7329 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100000764125_100009817443 [0,0,0,1,0,0|2,0,0]=3 7330 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100009817443_100000764125 [0,0,0,1,0,0|2,0,0]=3 7331 B14R1.6388 NC(=O)CCCCCSCCC1CO1 62a_100000732470_100009817443 [0,0,0,1,0,0|3,0,0]=4 7332 B14R1.6388 NC(=O)CCCCCSCCC1CO1 62a_100009817443_100000732470 [0,0,0,1,0,0|3,0,0]=4 7333 B14R1.6388 NC(=O)CCCCNCCCC1CO1 34a_100000696515_100000733510 [0,0,0,1,0,0|3,0,0]=4 7334 B14R1.6388 NC(=O)CCCCOCCCC1CO1 34a_100012022536_100000733510 [0,0,0,1,0,0|3,0,0]=4 7335 B14R1.6388 NC(=O)CCCCOCCCC1CO1 7a_100012022536_100000733510 [0,0,0,1,0,0|3,0,0]=4 7336 B14R1.6388 O=C(O)COCCNCCCC1CO1 269956a_100000700818_100000733510 [0,0,0,1,0,0|3,0,0]=4 7337 B14R1.6388 O=C(O)COCCOCCNC1CC1 269956a_100009854275_100000211595 [0,0,0,1,0,0|3,0,0]=4 7338 B14R1.6388 O=C([O-])CCCCCOCCC1CC1 7a_100102619762_100000764125 [0,0,0,1,0,0|1,0,1]=3 7339 B14R1.6388 O=C([O-])CCCCCOCCC1CO1 7a_100102619762_100000732470 [0,0,0,1,0,0|2,0,1]=4 7340 B14R1.6388 OB(O)CCCCCCNCC1CC1 2230a_100000735609_100009817187 [0,0,0,1,0,0|2,0,1]=4 7341 B14R1.6388 OB(O)CCCCCCNCC1CC1 34a_100000735609_100009817187 [0,0,0,1,0,0|2,0,1]=4 7342 B14R1.6388 OB(O)CCCCCCOCC1CC1 34a_100000211283_100009817187 [0,0,0,1,0,0|2,0,1]=4 7343 B14R1.6388 OB(O)CCCCCCSCC1CC1 62a_100000756562_100009817187 [0,0,0,1,0,0|2,0,1]=4 7344 B14R1.6388 OB(O)CCCCCCSCC1CC1 62a_100009817187_100000742324 [0,0,0,1,0,0|2,0,1]=4 7345 B14R1.6388 OB(O)CCCCCNCCC1CC1 34a_100000764129_200009817188 [0,0,0,1,0,0|2,0,1]=4 7346 B14R1.6388 OB(O)CCCCCOCCC1CC1 34a_100000754188_200009817188 [0,0,0,1,0,0|2,0,1]=4 7347 B14R1.6388 OB(O)CCCCCOCCC1CC1 7a_100000754188_200009817188 [0,0,0,1,0,0|2,0,1]=4 7348 B14R1.6388 OB(O)CCCCCSCCC1CC1 62a_100000764125_200009817188 [0,0,0,1,0,0|2,0,1]=4 7349 B14R1.6388 OB(O)CCCCCSCCC1CC1 62a_200009817188_100000764125 [0,0,0,1,0,0|2,0,1]=4 7350 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [2,0,0,0,0,0|1,0,1]=4 7351 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [2,0,0,0,0,0|1,0,1]=4 7352 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [2,0,0,0,0,0|1,0,1]=4 7353 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [2,0,0,0,0,0|1,0,1]=4 7354 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [2,0,0,0,0,0|1,0,1]=4 7355 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [2,0,0,0,0,0|1,0,1]=4 7356 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [2,0,0,0,0,0|1,0,1]=4 7357 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [2,0,0,0,0,0|1,0,1]=4 7358 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [2,0,0,0,0,0|1,0,1]=4 7359 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [2,0,0,0,0,0|1,0,1]=4 7360 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [2,0,0,0,0,0|1,0,1]=4 7361 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [2,0,0,0,0,0|1,0,1]=4 7362 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [2,0,0,0,0,0|1,0,1]=4 7363 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [2,0,0,0,0,0|1,0,1]=4 7364 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [2,0,0,0,0,0|1,0,1]=4 7365 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [2,0,0,0,0,0|1,0,1]=4 7366 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [2,0,0,0,0,0|1,0,1]=4 7367 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [2,0,0,0,0,0|1,0,1]=4 7368 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [2,0,0,0,0,0|1,0,1]=4 7369 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [2,0,0,0,0,0|1,0,1]=4 7370 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [2,0,0,0,0,0|1,0,1]=4 7371 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [2,0,0,0,0,0|1,0,1]=4 7372 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [2,0,0,0,0,0|1,0,1]=4 7373 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [2,0,0,0,0,0|1,0,1]=4 7374 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [2,0,0,0,0,0|1,0,1]=4 7375 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [2,0,0,0,0,0|1,0,1]=4 7376 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [2,0,0,0,0,0|1,0,1]=4 7377 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [2,0,0,0,0,0|1,0,1]=4 7378 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [2,0,0,0,0,0|1,0,1]=4 7379 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [2,0,0,0,0,0|1,0,1]=4 7380 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [2,0,0,0,0,0|1,0,1]=4 7381 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [2,0,0,0,0,0|1,0,1]=4 7382 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [2,0,0,0,0,0|1,0,1]=4 7383 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [2,0,0,0,0,0|1,0,1]=4 7384 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [2,0,0,0,0,0|1,0,1]=4 7385 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [2,0,0,0,0,0|1,0,1]=4 7386 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [2,0,0,0,0,0|1,0,1]=4 7387 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [2,0,0,0,0,0|1,0,1]=4 7388 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [2,0,0,0,0,0|1,0,1]=4 7389 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [2,0,0,0,0,0|1,0,1]=4 7390 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [2,0,0,0,0,0|1,0,1]=4 7391 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [2,0,0,0,0,0|1,0,1]=4 7392 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [2,0,0,0,0,0|1,0,1]=4 7393 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [2,0,0,0,0,0|1,0,1]=4 7394 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [2,0,0,0,0,0|1,0,1]=4 7395 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [2,0,0,0,0,0|1,0,1]=4 7396 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [2,0,0,0,0,0|1,0,1]=4 7397 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [2,0,0,0,0,0|1,0,1]=4 7398 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [2,0,0,0,0,0|1,0,1]=4 7399 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [2,0,0,0,0,0|1,0,1]=4 7400 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [2,0,0,0,0,0|1,0,1]=4 7401 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [2,0,0,0,0,0|1,0,1]=4 7402 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [2,0,0,0,0,0|1,0,1]=4 7403 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [2,0,0,0,0,0|1,0,1]=4 7404 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [2,0,0,0,0,0|1,0,1]=4 7405 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [2,0,0,0,0,0|1,0,1]=4 7406 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [2,0,0,0,0,0|1,0,1]=4 7407 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [2,0,0,0,0,0|1,0,1]=4 7408 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [2,0,0,0,0,0|1,0,1]=4 7409 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [2,0,0,0,0,0|1,0,1]=4 7410 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [2,0,0,0,0,0|1,0,1]=4 7411 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [2,0,0,0,0,0|1,0,1]=4 7412 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [2,0,0,0,0,0|1,0,1]=4 7413 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [2,0,0,0,0,0|1,0,1]=4 7414 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [2,0,0,0,0,0|1,0,1]=4 7415 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [2,0,0,0,0,0|1,0,1]=4 7416 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [2,0,0,0,0,0|1,0,1]=4 7417 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [2,0,0,0,0,0|1,0,1]=4 7418 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [2,0,0,0,0,0|1,0,1]=4 7419 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [2,0,0,0,0,0|1,0,1]=4 7420 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [2,0,0,0,0,0|1,0,1]=4 7421 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [2,0,0,0,0,0|1,0,1]=4 7422 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [2,0,0,0,0,0|1,0,1]=4 7423 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [2,0,0,0,0,0|1,0,1]=4 7424 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [2,0,0,0,0,0|1,0,1]=4 7425 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [2,0,0,0,0,0|1,0,1]=4 7426 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [2,0,0,0,0,0|1,0,1]=4 7427 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [2,0,0,0,0,0|1,0,1]=4 7428 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [2,0,0,0,0,0|1,0,1]=4 7429 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [2,0,0,0,0,0|1,0,1]=4 7430 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [2,0,0,0,0,0|1,0,1]=4 7431 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [2,0,0,0,0,0|2,0,0]=4 7432 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [2,0,0,0,0,0|1,0,1]=4 7433 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [2,0,0,0,0,0|1,0,1]=4 7434 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [2,0,0,0,0,0|1,0,1]=4 7435 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [2,0,0,0,0,0|2,0,0]=4 7436 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [2,0,0,0,0,0|2,0,0]=4 7437 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [2,0,0,0,0,0|1,0,1]=4 7438 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [2,0,0,0,0,0|2,0,0]=4 7439 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [2,0,0,0,0,0|1,0,0]=3 7440 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [2,0,0,0,0,0|1,0,0]=3 7441 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [2,0,0,0,0,0|1,0,1]=4 7442 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [2,0,0,0,0,0|1,0,1]=4 7443 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [2,0,0,0,0,0|2,0,0]=4 7444 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [2,0,0,0,0,0|2,0,0]=4 7445 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [2,0,0,0,0,0|2,0,0]=4 7446 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [2,0,0,0,0,0|1,0,0]=3 7447 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [2,0,0,0,0,0|1,0,0]=3 7448 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [2,0,0,0,0,0|1,0,0]=3 7449 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [2,0,0,0,0,0|1,0,0]=3 7450 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [2,0,0,0,0,0|1,0,0]=3 7451 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [2,0,0,0,0,0|1,0,0]=3 7452 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [2,0,0,0,0,0|2,0,0]=4 7453 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [2,0,0,0,0,0|1,0,1]=4 7454 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [2,0,0,0,0,0|1,0,1]=4 7455 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [2,0,0,0,0,0|1,0,1]=4 7456 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [2,0,0,0,0,0|2,0,0]=4 7457 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [2,0,0,0,0,0|2,0,0]=4 7458 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [2,0,0,0,0,0|2,0,0]=4 7459 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [2,0,0,0,0,0|1,0,0]=3 7460 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [2,0,0,0,0,0|1,0,0]=3 7461 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [2,0,0,0,0,0|1,0,0]=3 7462 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [2,0,0,0,0,0|1,0,0]=3 7463 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [2,0,0,0,0,0|1,0,1]=4 7464 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [2,0,0,0,0,0|1,0,1]=4 7465 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [2,0,0,0,0,0|2,0,0]=4 7466 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [2,0,0,0,0,0|2,0,0]=4 7467 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [2,0,0,0,0,0|1,0,0]=3 7468 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [2,0,0,0,0,0|1,0,0]=3 7469 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [2,0,0,0,0,0|1,0,1]=4 7470 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [2,0,0,0,0,0|1,0,1]=4 7471 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [2,0,0,0,0,0|1,0,1]=4 7472 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [2,0,0,0,0,0|2,0,0]=4 7473 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [2,0,0,0,0,0|2,0,0]=4 7474 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [2,0,0,0,0,0|2,0,0]=4 7475 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [2,0,0,0,0,0|1,0,0]=3 7476 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [2,0,0,0,0,0|2,0,0]=4 7477 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [2,0,0,0,0,0|1,0,1]=4 7478 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [2,0,0,0,0,0|1,0,1]=4 7479 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [2,0,0,0,0,0|1,0,1]=4 7480 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [2,0,0,0,0,0|1,0,1]=4 7481 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [2,0,0,0,0,0|2,0,0]=4 7482 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [2,0,0,0,0,0|2,0,0]=4 7483 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [2,0,0,0,0,0|2,0,0]=4 7484 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [2,0,0,0,0,0|2,0,0]=4 7485 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [2,0,0,0,0,0|2,0,0]=4 7486 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [2,0,0,0,0,0|1,0,0]=3 7487 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [2,0,0,0,0,0|1,0,0]=3 7488 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [2,0,0,0,0,0|1,0,1]=4 7489 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [2,0,0,0,0,0|1,0,1]=4 7490 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [2,0,0,0,0,0|2,0,0]=4 7491 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [2,0,0,0,0,0|2,0,0]=4 7492 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [2,0,0,0,0,0|1,0,0]=3 7493 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [2,0,0,0,0,0|1,0,0]=3 7494 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [2,0,0,0,0,0|1,0,0]=3 7495 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [2,0,0,0,0,0|1,0,1]=4 7496 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [2,0,0,0,0,0|1,0,1]=4 7497 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [2,0,0,0,0,0|2,0,0]=4 7498 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [2,0,0,0,0,0|1,0,0]=3 7499 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [2,0,0,0,0,0|1,0,0]=3 7500 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [2,0,0,0,0,0|1,0,0]=3 7501 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [2,0,0,0,0,0|1,0,0]=3 7502 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [2,0,0,0,0,0|2,0,0]=4 7503 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [2,0,0,0,0,0|1,0,1]=4 7504 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [2,0,0,0,0,0|1,0,1]=4 7505 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [2,0,0,0,0,0|1,0,1]=4 7506 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [2,0,0,0,0,0|1,0,1]=4 7507 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [2,0,0,0,0,0|2,0,0]=4 7508 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [2,0,0,0,0,0|2,0,0]=4 7509 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [2,0,0,0,0,0|2,0,0]=4 7510 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [2,0,0,0,0,0|2,0,0]=4 7511 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [2,0,0,0,0,0|2,0,0]=4 7512 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [2,0,0,0,0,0|2,0,0]=4 7513 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [2,0,0,0,0,0|2,0,0]=4 7514 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [2,0,0,0,0,0|2,0,0]=4 7515 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [2,0,0,0,0,0|1,0,0]=3 7516 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [2,0,0,0,0,0|1,0,0]=3 7517 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [2,0,0,0,0,0|1,0,0]=3 7518 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [2,0,0,0,0,0|1,0,0]=3 7519 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [2,0,0,0,0,0|1,0,1]=4 7520 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [2,0,0,0,0,0|1,0,1]=4 7521 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [2,0,0,0,0,0|2,0,0]=4 7522 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [2,0,0,0,0,0|2,0,0]=4 7523 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [2,0,0,0,0,0|1,0,0]=3 7524 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [2,0,0,0,0,0|1,0,0]=3 7525 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [2,0,0,0,0,0|1,0,0]=3 7526 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [2,0,0,0,0,0|2,0,0]=4 7527 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [2,0,0,0,0,0|1,0,0]=3 7528 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [2,0,0,0,0,0|1,0,0]=3 7529 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [2,0,0,0,0,0|1,0,0]=3 7530 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [2,0,0,0,0,0|2,0,0]=4 7531 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [2,0,0,0,0,0|2,0,0]=4 7532 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [2,0,0,0,0,0|2,0,0]=4 7533 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [2,0,0,0,0,0|2,0,0]=4 7534 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [2,0,0,0,0,0|2,0,0]=4 7535 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [2,0,0,0,0,0|2,0,0]=4 7536 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [2,0,0,0,0,0|1,0,0]=3 7537 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [2,0,0,0,0,0|2,0,0]=4 7538 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [2,0,0,0,0,0|2,0,0]=4 7539 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [2,0,0,0,0,0|2,0,0]=4 7540 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [2,0,0,0,0,0|2,0,0]=4 7541 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [2,0,0,0,0,0|2,0,0]=4 7542 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [2,0,0,0,0,0|2,0,0]=4 7543 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [2,0,0,0,0,0|2,0,0]=4 7544 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [2,0,0,0,0,0|2,0,0]=4 7545 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [2,0,0,0,0,0|2,0,0]=4 7546 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [2,0,0,0,0,0|1,0,0]=3 7547 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [2,0,0,0,0,0|1,0,0]=3 7548 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [2,0,0,0,0,0|2,0,0]=4 7549 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [2,0,0,0,0,0|2,0,0]=4 7550 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [2,0,0,0,0,0|2,0,0]=4 7551 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [2,0,0,0,0,0|2,0,0]=4 7552 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [2,0,0,0,0,0|2,0,0]=4 7553 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [2,0,0,0,0,0|2,0,0]=4 7554 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [2,0,0,0,0,0|1,0,0]=3 7555 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [2,0,0,0,0,0|1,0,0]=3 7556 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [2,0,0,0,0,0|2,0,0]=4 7557 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [2,0,0,0,0,0|2,0,0]=4 7558 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [2,0,0,0,0,0|1,0,0]=3 7559 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [2,0,0,0,0,0|1,0,0]=3 7560 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [2,0,0,0,0,0|2,0,0]=4 7561 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [2,0,0,0,0,0|2,0,0]=4 7562 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [2,0,0,0,0,0|1,0,0]=3 7563 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [2,0,0,0,0,0|1,0,0]=3 7564 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [2,0,0,0,0,0|2,0,0]=4 7565 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [2,0,0,0,0,0|2,0,0]=4 7566 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [2,0,0,0,0,0|1,0,0]=3 7567 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [2,0,0,0,0,0|1,0,0]=3 7568 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [2,0,0,0,0,0|1,0,0]=3 7569 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [2,0,0,0,0,0|1,0,0]=3 7570 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [2,0,0,0,0,0|1,0,0]=3 7571 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [2,0,0,0,0,0|2,0,0]=4 7572 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [2,0,0,0,0,0|2,0,0]=4 7573 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [2,0,0,0,0,0|2,0,0]=4 7574 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [2,0,0,0,0,0|2,0,0]=4 7575 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [2,0,0,0,0,0|2,0,0]=4 7576 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [2,0,0,0,0,0|2,0,0]=4 7577 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [2,0,0,0,0,0|2,0,0]=4 7578 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [2,0,0,0,0,0|2,0,0]=4 7579 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [2,0,0,0,0,0|2,0,0]=4 7580 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [2,0,0,0,0,0|1,0,0]=3 7581 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [2,0,0,0,0,0|1,0,0]=3 7582 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [2,0,0,0,0,0|2,0,0]=4 7583 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [2,0,0,0,0,0|2,0,0]=4 7584 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [2,0,0,0,0,0|2,0,0]=4 7585 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [2,0,0,0,0,0|2,0,0]=4 7586 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [2,0,0,0,0,0|2,0,0]=4 7587 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [2,0,0,0,0,0|2,0,0]=4 7588 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [2,0,0,0,0,0|2,0,0]=4 7589 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [2,0,0,0,0,0|2,0,0]=4 7590 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [2,0,0,0,0,0|2,0,0]=4 7591 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [2,0,0,0,0,0|2,0,0]=4 7592 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [2,0,0,0,0,0|2,0,0]=4 7593 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [2,0,0,0,0,0|2,0,0]=4 7594 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [2,0,0,0,0,0|2,0,0]=4 7595 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [2,0,0,0,0,0|2,0,0]=4 7596 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [2,0,0,0,0,0|2,0,0]=4 7597 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [2,0,0,0,0,0|2,0,0]=4 7598 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [2,0,0,0,0,0|2,0,0]=4 7599 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [2,0,0,0,0,0|2,0,0]=4 7600 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [2,0,0,0,0,0|1,0,0]=3 7601 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [2,0,0,0,0,0|1,0,0]=3 7602 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [2,0,0,0,0,0|2,0,0]=4 7603 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [2,0,0,0,0,0|2,0,0]=4 7604 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [2,0,0,0,0,0|1,0,0]=3 7605 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [2,0,0,0,0,0|1,0,0]=3 7606 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [2,0,0,0,0,0|2,0,0]=4 7607 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [2,0,0,0,0,0|2,0,0]=4 7608 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [2,0,0,0,0,0|2,0,0]=4 7609 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [2,0,0,0,0,0|1,0,0]=3 7610 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [2,0,0,0,0,0|1,0,0]=3 7611 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [2,0,0,0,0,0|2,0,0]=4 7612 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [2,0,0,0,0,0|2,0,0]=4 7613 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [2,0,0,0,0,0|2,0,0]=4 7614 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [2,0,0,0,0,0|2,0,0]=4 7615 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [2,0,0,0,0,0|2,0,0]=4 7616 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [2,0,0,0,0,0|1,0,0]=3 7617 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [2,0,0,0,0,0|2,0,0]=4 7618 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [2,0,0,0,0,0|2,0,0]=4 7619 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [2,0,0,0,0,0|2,0,0]=4 7620 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [2,0,0,0,0,0|2,0,0]=4 7621 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [2,0,0,0,0,0|2,0,0]=4 7622 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [2,0,0,0,0,0|2,0,0]=4 7623 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [2,0,0,0,0,0|2,0,0]=4 7624 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [2,0,0,0,0,0|2,0,0]=4 7625 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [2,0,0,0,0,0|2,0,0]=4 7626 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [2,0,0,0,0,0|2,0,0]=4 7627 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [2,0,0,0,0,0|2,0,0]=4 7628 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [2,0,0,0,0,0|2,0,0]=4 7629 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [2,0,0,0,0,0|2,0,0]=4 7630 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [2,0,0,0,0,0|2,0,0]=4 7631 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [2,0,0,0,0,0|1,0,0]=3 7632 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [2,0,0,0,0,0|1,0,0]=3 7633 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [2,0,0,0,0,0|2,0,0]=4 7634 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [2,0,0,0,0,0|2,0,0]=4 7635 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [2,0,0,0,0,0|2,0,0]=4 7636 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [2,0,0,0,0,0|2,0,0]=4 7637 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [2,0,0,0,0,0|2,0,0]=4 7638 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [2,0,0,0,0,0|1,0,0]=3 7639 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [2,0,0,0,0,0|1,0,0]=3 7640 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [2,0,0,0,0,0|1,0,0]=3 7641 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [2,0,0,0,0,0|2,0,0]=4 7642 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [2,0,0,0,0,0|2,0,0]=4 7643 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [2,0,0,0,0,0|2,0,0]=4 7644 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [2,0,0,0,0,0|2,0,0]=4 7645 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [2,0,0,0,0,0|2,0,0]=4 7646 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [2,0,0,0,0,0|1,0,0]=3 7647 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [2,0,0,0,0,0|2,0,0]=4 7648 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [2,0,0,0,0,0|2,0,0]=4 7649 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [2,0,0,0,0,0|2,0,0]=4 7650 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [2,0,0,0,0,0|2,0,0]=4 7651 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [2,0,0,0,0,0|2,0,0]=4 7652 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [2,0,0,0,0,0|2,0,0]=4 7653 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [2,0,0,0,0,0|2,0,0]=4 7654 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [2,0,0,0,0,0|2,0,0]=4 7655 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [2,0,0,0,0,0|2,0,0]=4 7656 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [2,0,0,0,0,0|2,0,0]=4 7657 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [2,0,0,0,0,0|2,0,0]=4 7658 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [2,0,0,0,0,0|2,0,0]=4 7659 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [2,0,0,0,0,0|2,0,0]=4 7660 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [2,0,0,0,0,0|2,0,0]=4 7661 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [2,0,0,0,0,0|2,0,0]=4 7662 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [2,0,0,0,0,0|2,0,0]=4 7663 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [2,0,0,0,0,0|2,0,0]=4 7664 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [2,0,0,0,0,0|2,0,0]=4 7665 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [2,0,0,0,0,0|2,0,0]=4 7666 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [2,0,0,0,0,0|2,0,0]=4 7667 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [2,0,0,0,0,0|2,0,0]=4 7668 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [2,0,0,0,0,0|2,0,0]=4 7669 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [2,0,0,0,0,0|2,0,0]=4 7670 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [2,0,0,0,0,0|2,0,0]=4 7671 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [2,0,0,0,0,0|2,0,0]=4 7672 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [2,0,0,0,0,0|2,0,0]=4 7673 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [2,0,0,0,0,0|2,0,0]=4 7674 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [2,0,0,0,0,0|2,0,0]=4 7675 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [2,0,0,0,0,0|1,0,0]=3 7676 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [2,0,0,0,0,0|1,0,0]=3 7677 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [2,0,0,0,0,0|2,0,0]=4 7678 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [2,0,0,0,0,0|2,0,0]=4 7679 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [2,0,0,0,0,0|2,0,0]=4 7680 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [2,0,0,0,0,0|2,0,0]=4 7681 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [2,0,0,0,0,0|2,0,0]=4 7682 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [2,0,0,0,0,0|2,0,0]=4 7683 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [2,0,0,0,0,0|2,0,0]=4 7684 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [2,0,0,0,0,0|2,0,0]=4 7685 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [2,0,0,0,0,0|2,0,0]=4 7686 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [2,0,0,0,0,0|2,0,0]=4 7687 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [2,0,0,0,0,0|2,0,0]=4 7688 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [2,0,0,0,0,0|2,0,0]=4 7689 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [2,0,0,0,0,0|2,0,0]=4 7690 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [2,0,0,0,0,0|2,0,0]=4 7691 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [2,0,0,0,0,0|1,0,0]=3 7692 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [2,0,0,0,0,0|1,0,0]=3 7693 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [2,0,0,0,0,0|1,0,0]=3 7694 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [2,0,0,0,0,0|1,0,0]=3 7695 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [2,0,0,0,0,0|1,0,0]=3 7696 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [2,0,0,0,0,0|2,0,0]=4 7697 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [2,0,0,0,0,0|2,0,0]=4 7698 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [2,0,0,0,0,0|2,0,0]=4 7699 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [2,0,0,0,0,0|2,0,0]=4 7700 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [2,0,0,0,0,0|2,0,0]=4 7701 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [2,0,0,0,0,0|2,0,0]=4 7702 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [2,0,0,0,0,0|2,0,0]=4 7703 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [2,0,0,0,0,0|1,0,0]=3 7704 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [2,0,0,0,0,0|2,0,0]=4 7705 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [2,0,0,0,0,0|2,0,0]=4 7706 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [2,0,0,0,0,0|2,0,0]=4 7707 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [2,0,0,0,0,0|2,0,0]=4 7708 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [2,0,0,0,0,0|2,0,0]=4 7709 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [2,0,0,0,0,0|2,0,0]=4 7710 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [2,0,0,0,0,0|2,0,0]=4 7711 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [2,0,0,0,0,0|2,0,0]=4 7712 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [2,0,0,0,0,0|2,0,0]=4 7713 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [2,0,0,0,0,0|2,0,0]=4 7714 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [2,0,0,0,0,0|2,0,0]=4 7715 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [2,0,0,0,0,0|2,0,0]=4 7716 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [2,0,0,0,0,0|2,0,0]=4 7717 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [2,0,0,0,0,0|2,0,0]=4 7718 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [2,0,0,0,0,0|2,0,0]=4 7719 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [2,0,0,0,0,0|2,0,0]=4 7720 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [2,0,0,0,0,0|2,0,0]=4 7721 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [2,0,0,0,0,0|2,0,0]=4 7722 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [2,0,0,0,0,0|2,0,0]=4 7723 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [2,0,0,0,0,0|2,0,0]=4 7724 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [2,0,0,0,0,0|2,0,0]=4 7725 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [2,0,0,0,0,0|2,0,0]=4 7726 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [2,0,0,0,0,0|2,0,0]=4 7727 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [2,0,0,0,0,0|2,0,0]=4 7728 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [2,0,0,0,0,0|2,0,0]=4 7729 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [2,0,0,0,0,0|2,0,0]=4 7730 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [2,0,0,0,0,0|2,0,0]=4 7731 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [2,0,0,0,0,0|2,0,0]=4 7732 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [2,0,0,0,0,0|2,0,0]=4 7733 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [2,0,0,0,0,0|2,0,0]=4 7734 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [2,0,0,0,0,0|2,0,0]=4 7735 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [2,0,0,0,0,0|2,0,0]=4 7736 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [2,0,0,0,0,0|2,0,0]=4 7737 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [2,0,0,0,0,0|2,0,0]=4 7738 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [2,0,0,0,0,0|2,0,0]=4 7739 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [2,0,0,0,0,0|2,0,0]=4 7740 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [2,0,0,0,0,0|2,0,0]=4 7741 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [2,0,0,0,0,0|2,0,0]=4 7742 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [2,0,0,0,0,0|2,0,0]=4 7743 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [2,0,0,0,0,0|1,0,0]=3 7744 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [2,0,0,0,0,0|1,0,0]=3 7745 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [2,0,0,0,0,0|2,0,0]=4 7746 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [2,0,0,0,0,0|2,0,0]=4 7747 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [2,0,0,0,0,0|2,0,0]=4 7748 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [2,0,0,0,0,0|2,0,0]=4 7749 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [2,0,0,0,0,0|2,0,0]=4 7750 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [2,0,0,0,0,0|2,0,0]=4 7751 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [2,0,0,0,0,0|2,0,0]=4 7752 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [2,0,0,0,0,0|2,0,0]=4 7753 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [2,0,0,0,0,0|2,0,0]=4 7754 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [2,0,0,0,0,0|2,0,0]=4 7755 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [2,0,0,0,0,0|2,0,0]=4 7756 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [2,0,0,0,0,0|2,0,0]=4 7757 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [2,0,0,0,0,0|2,0,0]=4 7758 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [2,0,0,0,0,0|2,0,0]=4 7759 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [2,0,0,0,0,0|2,0,0]=4 7760 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [2,0,0,0,0,0|2,0,0]=4 7761 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [2,0,0,0,0,0|2,0,0]=4 7762 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [2,0,0,0,0,0|2,0,0]=4 7763 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [2,0,0,0,0,0|2,0,0]=4 7764 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [2,0,0,0,0,0|2,0,0]=4 7765 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [2,0,0,0,0,0|2,0,0]=4 7766 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [2,0,0,0,0,0|2,0,0]=4 7767 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [2,0,0,0,0,0|2,0,0]=4 7768 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [2,0,0,0,0,0|2,0,0]=4 7769 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [2,0,0,0,0,0|2,0,0]=4 7770 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [2,0,0,0,0,0|2,0,0]=4 7771 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [2,0,0,0,0,0|2,0,0]=4 7772 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [2,0,0,0,0,0|2,0,0]=4 7773 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [2,0,0,0,0,0|2,0,0]=4 7774 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [2,0,0,0,0,0|2,0,0]=4 7775 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [2,0,0,0,0,0|2,0,0]=4 7776 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [2,0,0,0,0,0|2,0,0]=4 7777 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [2,0,0,0,0,0|2,0,0]=4 7778 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [2,0,0,0,0,0|2,0,0]=4 7779 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [2,0,0,0,0,0|2,0,0]=4 7780 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [2,0,0,0,0,0|2,0,0]=4 7781 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [2,0,0,0,0,0|2,0,0]=4 7782 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [2,0,0,0,0,0|2,0,0]=4 7783 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [2,0,0,0,0,0|2,0,0]=4 7784 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [2,0,0,0,0,0|2,0,0]=4 7785 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [2,0,0,0,0,0|2,0,0]=4 7786 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [2,0,0,0,0,0|2,0,0]=4 7787 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [2,0,0,0,0,0|2,0,0]=4 7788 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [2,0,0,0,0,0|2,0,0]=4 7789 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [2,0,0,0,0,0|2,0,0]=4 7790 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [2,0,0,0,0,0|2,0,0]=4 7791 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [2,0,0,0,0,0|2,0,0]=4 7792 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [2,0,0,0,0,0|2,0,0]=4 7793 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [2,0,0,0,0,0|2,0,0]=4 7794 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [2,0,0,0,0,0|2,0,0]=4 7795 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [2,0,0,0,0,0|2,0,0]=4 7796 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [2,0,0,0,0,0|2,0,0]=4 7797 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [2,0,0,0,0,0|2,0,0]=4 7798 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [2,0,0,0,0,0|2,0,0]=4 7799 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [2,0,0,0,0,0|2,0,0]=4 7800 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [2,0,0,0,0,0|2,0,0]=4 7801 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [2,0,0,0,0,0|2,0,0]=4 7802 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [2,0,0,0,0,0|2,0,0]=4 7803 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [2,0,0,0,0,0|2,0,0]=4 7804 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [2,0,0,0,0,0|2,0,0]=4 7805 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [2,0,0,0,0,0|2,0,0]=4 7806 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [2,0,0,0,0,0|2,0,0]=4 7807 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [2,0,0,0,0,0|2,0,0]=4 7808 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [2,0,0,0,0,0|2,0,0]=4 7809 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [2,0,0,0,0,0|2,0,0]=4 7810 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [2,0,0,0,0,0|2,0,0]=4 7811 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [2,0,0,0,0,0|2,0,0]=4 7812 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [2,0,0,0,0,0|2,0,0]=4 7813 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [2,0,0,0,0,0|2,0,0]=4 7814 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [2,0,0,0,0,0|2,0,0]=4 7815 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [2,0,0,0,0,0|2,0,0]=4 7816 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [2,0,0,0,0,0|2,0,0]=4 7817 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [2,0,0,0,0,0|2,0,0]=4 7818 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [2,0,0,0,0,0|2,0,0]=4 7819 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [2,0,0,0,0,0|2,0,0]=4 7820 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [2,0,0,0,0,0|2,0,0]=4 7821 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [2,0,0,0,0,0|2,0,0]=4 7822 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [2,0,0,0,0,0|2,0,0]=4 7823 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [2,0,0,0,0,0|2,0,0]=4 7824 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [2,0,0,0,0,0|2,0,0]=4 7825 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [2,0,0,0,0,0|2,0,0]=4 7826 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [2,0,0,0,0,0|2,0,0]=4 7827 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [2,0,0,0,0,0|2,0,0]=4 7828 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [2,0,0,0,0,0|2,0,0]=4 7829 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [2,0,0,0,0,0|2,0,0]=4 7830 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [2,0,0,0,0,0|2,0,0]=4 7831 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [2,0,0,0,0,0|2,0,0]=4 7832 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [2,0,0,0,0,0|2,0,0]=4 7833 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [2,0,0,0,0,0|2,0,0]=4 7834 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [2,0,0,0,0,0|2,0,0]=4 7835 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [2,0,0,0,0,0|2,0,0]=4 7836 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [2,0,0,0,0,0|2,0,0]=4 7837 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [2,0,0,0,0,0|2,0,0]=4 7838 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [2,0,0,0,0,0|2,0,0]=4 7839 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [2,0,0,0,0,0|2,0,0]=4 7840 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [2,0,0,0,0,0|2,0,0]=4 7841 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [2,0,0,0,0,0|2,0,0]=4 7842 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [2,0,0,0,0,0|2,0,0]=4 7843 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [2,0,0,0,0,0|2,0,0]=4 7844 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [2,0,0,0,0,0|2,0,0]=4 7845 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [2,0,0,0,0,0|2,0,0]=4 7846 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [2,0,0,0,0,0|2,0,0]=4 7847 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [2,0,0,0,0,0|2,0,0]=4 7848 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [2,0,0,0,0,0|2,0,0]=4 7849 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [2,0,0,0,0,0|2,0,0]=4 7850 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [2,0,0,0,0,0|2,0,0]=4 7851 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [2,0,0,0,0,0|2,0,0]=4 7852 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [2,0,0,0,0,0|2,0,0]=4 7853 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [2,0,0,0,0,0|2,0,0]=4 7854 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [2,0,0,0,0,0|2,0,0]=4 7855 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [2,0,0,0,0,0|2,0,0]=4 7856 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [2,0,0,0,0,0|2,0,0]=4 7857 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [2,0,0,0,0,0|2,0,0]=4 7858 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [2,0,0,0,0,0|2,0,0]=4 7859 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [2,0,0,0,0,0|2,0,0]=4 7860 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [2,0,0,0,0,0|2,0,0]=4 7861 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [2,0,0,0,0,0|2,0,0]=4 7862 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [2,0,0,0,0,0|2,0,0]=4 7863 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [2,0,0,0,0,0|2,0,0]=4 7864 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [2,0,0,0,0,0|2,0,0]=4 7865 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [2,0,0,0,0,0|1,0,0]=3 7866 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [2,0,0,0,0,0|1,0,0]=3 7867 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [2,0,0,0,0,0|2,0,0]=4 7868 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [2,0,0,0,0,0|2,0,0]=4 7869 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [2,0,0,0,0,0|2,0,0]=4 7870 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [2,0,0,0,0,0|2,0,0]=4 7871 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [2,0,0,0,0,0|2,0,0]=4 7872 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [2,0,0,0,0,0|1,0,0]=3 7873 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [2,0,0,0,0,0|1,0,0]=3 7874 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [2,0,0,0,0,0|2,0,0]=4 7875 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [2,0,0,0,0,0|1,0,0]=3 7876 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [2,0,0,0,0,0|1,0,0]=3 7877 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [2,0,0,0,0,0|1,0,0]=3 7878 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [2,0,0,0,0,0|2,0,0]=4 7879 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [2,0,0,0,0,0|2,0,0]=4 7880 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [2,0,0,0,0,0|2,0,0]=4 7881 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [2,0,0,0,0,0|2,0,0]=4 7882 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [2,0,0,0,0,0|2,0,0]=4 7883 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [2,0,0,0,0,0|2,0,0]=4 7884 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [2,0,0,0,0,0|1,0,0]=3 7885 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [2,0,0,0,0,0|2,0,0]=4 7886 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [2,0,0,0,0,0|2,0,0]=4 7887 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [2,0,0,0,0,0|2,0,0]=4 7888 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [2,0,0,0,0,0|1,0,1]=4 7889 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [2,0,0,0,0,0|2,0,0]=4 7890 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [2,0,0,0,0,0|2,0,0]=4 7891 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [2,0,0,0,0,0|1,0,1]=4 7892 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [2,0,0,0,0,0|1,0,1]=4 7893 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [2,0,0,0,0,0|2,0,0]=4 7894 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [2,0,0,0,0,0|2,0,0]=4 7895 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [2,0,0,0,0,0|2,0,0]=4 7896 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [2,0,0,0,0,0|2,0,0]=4 7897 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [2,0,0,0,0,0|2,0,0]=4 7898 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [2,0,0,0,0,0|2,0,0]=4 7899 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [2,0,0,0,0,0|2,0,0]=4 7900 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [2,0,0,0,0,0|2,0,0]=4 7901 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [2,0,0,0,0,0|2,0,0]=4 7902 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [2,0,0,0,0,0|2,0,0]=4 7903 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [2,0,0,0,0,0|2,0,0]=4 7904 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [2,0,0,0,0,0|2,0,0]=4 7905 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [2,0,0,0,0,0|2,0,0]=4 7906 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [2,0,0,0,0,0|2,0,0]=4 7907 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [2,0,0,0,0,0|2,0,0]=4 7908 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [2,0,0,0,0,0|2,0,0]=4 7909 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [2,0,0,0,0,0|2,0,0]=4 7910 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [2,0,0,0,0,0|2,0,0]=4 7911 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [2,0,0,0,0,0|2,0,0]=4 7912 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [2,0,0,0,0,0|2,0,0]=4 7913 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [2,0,0,0,0,0|2,0,0]=4 7914 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [2,0,0,0,0,0|2,0,0]=4 7915 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [2,0,0,0,0,0|2,0,0]=4 7916 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [2,0,0,0,0,0|2,0,0]=4 7917 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [2,0,0,0,0,0|2,0,0]=4 7918 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [2,0,0,0,0,0|2,0,0]=4 7919 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [2,0,0,0,0,0|2,0,0]=4 7920 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [2,0,0,0,0,0|2,0,0]=4 7921 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [2,0,0,0,0,0|2,0,0]=4 7922 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [2,0,0,0,0,0|2,0,0]=4 7923 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [2,0,0,0,0,0|2,0,0]=4 7924 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [2,0,0,0,0,0|2,0,0]=4 7925 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [2,0,0,0,0,0|2,0,0]=4 7926 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [2,0,0,0,0,0|2,0,0]=4 7927 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [2,0,0,0,0,0|2,0,0]=4 7928 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [2,0,0,0,0,0|2,0,0]=4 7929 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [2,0,0,0,0,0|2,0,0]=4 7930 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [2,0,0,0,0,0|1,0,1]=4 7931 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [2,0,0,0,0,0|2,0,0]=4 7932 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [2,0,0,0,0,0|2,0,0]=4 7933 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [2,0,0,0,0,0|2,0,0]=4 7934 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [2,0,0,0,0,0|2,0,0]=4 7935 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [1,1,0,0,0,0|1,0,1]=4 7936 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [1,1,0,0,0,0|1,0,1]=4 7937 B13R0.2 C=CCC(C)COCCCCCCC 34a_100009832082_100000210614 [1,1,0,0,0,0|2,0,0]=4 7938 B13R0.2 C=CCC(C)COCCCCCCC 7a_100009832082_100000210614 [1,1,0,0,0,0|2,0,0]=4 7939 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [1,1,0,0,0,0|1,0,1]=4 7940 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [1,1,0,0,0,0|1,0,1]=4 7941 B13R0.2 C=CCCCCCCCN(C)CCC 2230a_100000747261_100012355270 [1,1,0,0,0,0|2,0,0]=4 7942 B13R0.2 C=CCCCCCCCN(C)CCC 269982a_100000747261_100012355270 [1,1,0,0,0,0|2,0,0]=4 7943 B13R0.2 C=CCCCCCCNC(C)CCC 2230a_100000741246_100011215473 [1,1,0,0,0,0|2,0,0]=4 7944 B13R0.2 C=CCCCCCCOC(C)CCC 34a_100000764384_100011215473 [1,1,0,0,0,0|2,0,0]=4 7945 B13R0.2 C=CCCCCCCOC(C)CCC 34a_200011216477_100000766640 [1,1,0,0,0,0|2,0,0]=4 7946 B13R0.2 C=CCCCCCCOC(C)CCC 7a_100000764384_100011215473 [1,1,0,0,0,0|2,0,0]=4 7947 B13R0.2 C=CCCCCCCOC(C)CCC 7a_200011216477_100000766640 [1,1,0,0,0,0|2,0,0]=4 7948 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100000688023_100000700193 [1,1,0,0,0,0|2,0,0]=4 7949 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100011216702_100011216630 [1,1,0,0,0,0|2,0,0]=4 7950 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100000688023_100000700193 [1,1,0,0,0,0|2,0,0]=4 7951 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100011216702_100011216630 [1,1,0,0,0,0|2,0,0]=4 7952 B13R0.2 C=CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000700193 [1,1,0,0,0,0|2,0,0]=4 7953 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100000700193_100011216630 [1,1,0,0,0,0|2,0,0]=4 7954 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100011216630_100000700193 [1,1,0,0,0,0|2,0,0]=4 7955 B13R0.2 C=CCCCCOCCC(C)CCC 34a_100011217855_100011215482 [1,1,0,0,0,0|2,0,0]=4 7956 B13R0.2 C=CCCCCOCCC(C)CCC 7a_100011217855_100011215482 [1,1,0,0,0,0|2,0,0]=4 7957 B13R0.2 C=CCCCCOCC[C@@H](N)CCC 34a_100015193777_100011215482 [1,1,0,0,0,0|2,0,0]=4 7958 B13R0.2 C=CCCCOCCCC(C)CCC 34a_100011713154_100000757094 [1,1,0,0,0,0|2,0,0]=4 7959 B13R0.2 C=CCCCOCCCC(C)CCC 7a_100011713154_100000757094 [1,1,0,0,0,0|2,0,0]=4 7960 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000225617_100011214924 [1,1,0,0,0,0|2,0,0]=4 7961 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000232482_100000210623 [1,1,0,0,0,0|2,0,0]=4 7962 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000225617_100000210670 [1,1,0,0,0,0|2,0,0]=4 7963 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000232482_100000210623 [1,1,0,0,0,0|2,0,0]=4 7964 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [1,1,0,0,0,0|2,0,0]=4 7965 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [1,1,0,0,0,0|2,0,0]=4 7966 B13R0.2 C=CC[C@@H](N)COCCCCCCC 34a_100020615467_100000210614 [1,1,0,0,0,0|2,0,0]=4 7967 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [1,1,0,0,0,0|0,0,2]=4 7968 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000139337_100000747444 [1,1,0,0,0,0|1,0,1]=4 7969 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000747444_100000139337 [1,1,0,0,0,0|1,0,1]=4 7970 B13R0.2 CCCC(C)CCCOCCCC=O 7a_100011713154_200011292268 [1,1,0,0,0,0|1,0,0]=3 7971 B13R0.2 CCCC(C)CCCOCCCCO 34a_100011713154_100011216708 [1,1,0,0,0,0|1,0,1]=4 7972 B13R0.2 CCCC(C)CCCOCCCCO 7a_100011713154_100000210776 [1,1,0,0,0,0|1,0,1]=4 7973 B13R0.2 CCCC(C)CCOCCCCC=O 7a_100011217855_100000139335 [1,1,0,0,0,0|1,0,0]=3 7974 B13R0.2 CCCC(C)CCOCCCCCO 34a_100011217855_100000746330 [1,1,0,0,0,0|1,0,1]=4 7975 B13R0.2 CCCC(C)CCOCCCCCO 7a_100011217855_100000746330 [1,1,0,0,0,0|1,0,1]=4 7976 B13R0.2 CCCC(C)CNCCCCCCO 2230a_100000686447_100011216630 [1,1,0,0,0,0|1,0,1]=4 7977 B13R0.2 CCCC(C)CNCCCCCCO 270004a_100000686447_100000243154 [1,1,0,0,0,0|1,0,1]=4 7978 B13R0.2 CCCC(C)CNCCCCCCO 34a_100000686447_100011216630 [1,1,0,0,0,0|1,0,1]=4 7979 B13R0.2 CCCC(C)COCCCCCC=O 7a_100000688023_100000139337 [1,1,0,0,0,0|1,0,0]=3 7980 B13R0.2 CCCC(C)COCCCCCCO 34a_100000688023_100000766143 [1,1,0,0,0,0|1,0,1]=4 7981 B13R0.2 CCCC(C)COCCCCCCO 7a_100000688023_100000766143 [1,1,0,0,0,0|1,0,1]=4 7982 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100000139337_100011216630 [1,1,0,0,0,0|1,0,0]=3 7983 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100011216630_100000139337 [1,1,0,0,0,0|1,0,0]=3 7984 B13R0.2 CCCC(C)CSCCCCCCO 62a_100000766143_100011216630 [1,1,0,0,0,0|1,0,1]=4 7985 B13R0.2 CCCC(C)CSCCCCCCO 62a_100011216630_100000766143 [1,1,0,0,0,0|1,0,1]=4 7986 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100000741246_100000760002 [1,1,0,0,0,0|1,0,1]=4 7987 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100011996573_100000766640 [1,1,0,0,0,0|1,0,1]=4 7988 B13R0.2 CCCC(C)NCCCCCCCO 270004a_100011996573_100000211909 [1,1,0,0,0,0|1,0,1]=4 7989 B13R0.2 CCCC(C)NCCCCCCCO 34a_100011996573_100000766640 [1,1,0,0,0,0|1,0,1]=4 7990 B13R0.2 CCCC(C)OCCCCCCCO 34a_100000764384_100000760002 [1,1,0,0,0,0|1,0,1]=4 7991 B13R0.2 CCCC(C)OCCCCCCCO 7a_100000764384_100000760002 [1,1,0,0,0,0|1,0,1]=4 7992 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000760002_100000766640 [1,1,0,0,0,0|1,0,1]=4 7993 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000766640_100000760002 [1,1,0,0,0,0|1,0,1]=4 7994 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [1,1,0,0,0,0|0,0,2]=4 7995 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [1,1,0,0,0,0|0,0,2]=4 7996 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [1,1,0,0,0,0|2,0,0]=4 7997 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [1,1,0,0,0,0|1,0,0]=3 7998 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [1,1,0,0,0,0|1,0,0]=3 7999 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [1,1,0,0,0,0|1,0,1]=4 8000 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [1,1,0,0,0,0|1,0,1]=4 8001 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [1,1,0,0,0,0|1,0,1]=4 8002 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [1,1,0,0,0,0|1,0,1]=4 8003 B13R0.2 CCCCCCCCNC(C)CCO 2230a_100000229939_100009893172 [1,1,0,0,0,0|1,0,1]=4 8004 B13R0.2 CCCCCCCCNC(C)CCO 34a_100000229939_100009893172 [1,1,0,0,0,0|1,0,1]=4 8005 B13R0.2 CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210759 [1,1,0,0,0,0|1,0,1]=4 8006 B13R0.2 CCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210759 [1,1,0,0,0,0|1,0,1]=4 8007 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [1,1,0,0,0,0|1,0,1]=4 8008 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [1,1,0,0,0,0|1,0,1]=4 8009 B13R0.2 CCCCCCCCSC(C)CCO 62a_100000210759_100009893172 [1,1,0,0,0,0|1,0,1]=4 8010 B13R0.2 CCCCCCCCSC(C)CCO 62a_100009893172_100000210317 [1,1,0,0,0,0|1,0,1]=4 8011 B13R0.2 CCCN(C)CCCCCCCCO 2230a_100000747261_100000033203 [1,1,0,0,0,0|1,0,1]=4 8012 B13R0.2 CCCN(C)CCCCCCCCO 269982a_100000747261_100000033203 [1,1,0,0,0,0|1,0,1]=4 8013 B13R0.2 CCC[C@H](N)CCOCCCCCO 34a_100015193777_100000746330 [1,1,0,0,0,0|1,0,1]=4 8014 B13R0.2 CCC[C@H](N)COCCCCCCO 34a_100000732646_100000766143 [1,1,0,0,0,0|1,0,1]=4 8015 B13R0.2 COCC(O)CNCCCCCC=O 2230a_100000756049_100000139337 [1,1,0,0,0,0|2,0,0]=4 8016 B13R0.2 COCC(O)CSCCCCCC=O 62a_100000139337_100011215053 [1,1,0,0,0,0|2,0,0]=4 8017 B13R0.2 COCC(O)CSCCCCCC=O 62a_100011215053_100000139337 [1,1,0,0,0,0|2,0,0]=4 8018 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [1,1,0,0,0,0|1,0,1]=4 8019 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [1,1,0,0,0,0|1,0,1]=4 8020 B13R0.66 C=CCCC(C)NCCCCCCC 270004a_100000229938_100000762624 [1,1,0,0,0,0|2,0,0]=4 8021 B13R0.66 C=CCCC(C)OCCCCCCC 34a_100000765329_100000210614 [1,1,0,0,0,0|2,0,0]=4 8022 B13R0.66 C=CCCC(C)OCCCCCCC 7a_100000765329_100000210614 [1,1,0,0,0,0|2,0,0]=4 8023 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [1,1,0,0,0,0|1,0,1]=4 8024 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [1,1,0,0,0,0|1,0,1]=4 8025 B13R0.66 C=CCCCCCCN(C)CCCC 2230a_100000207549_100011215473 [1,1,0,0,0,0|2,0,0]=4 8026 B13R0.66 C=CCCCCCCN(C)CCCC 269982a_100000207549_100011215473 [1,1,0,0,0,0|2,0,0]=4 8027 B13R0.66 C=CCCCCCNC(C)CCCC 2230a_100000126638_100000700193 [1,1,0,0,0,0|2,0,0]=4 8028 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100000687866_100000700193 [1,1,0,0,0,0|2,0,0]=4 8029 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100011216702_200011215066 [1,1,0,0,0,0|2,0,0]=4 8030 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100000687866_100000700193 [1,1,0,0,0,0|2,0,0]=4 8031 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100011216702_200011215066 [1,1,0,0,0,0|2,0,0]=4 8032 B13R0.66 C=CCCCCOCC(C)CCCC 34a_100011995851_100011215482 [1,1,0,0,0,0|2,0,0]=4 8033 B13R0.66 C=CCCCCOCC(C)CCCC 7a_100011995851_100011215482 [1,1,0,0,0,0|2,0,0]=4 8034 B13R0.66 C=CCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215482 [1,1,0,0,0,0|2,0,0]=4 8035 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100000207567_100000754431 [1,1,0,0,0,0|2,0,0]=4 8036 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100020639649_100000210759 [1,1,0,0,0,0|2,0,0]=4 8037 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100000207567_100000754431 [1,1,0,0,0,0|2,0,0]=4 8038 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100020639649_100000210759 [1,1,0,0,0,0|2,0,0]=4 8039 B13R0.66 C=CCNC(C)CCCCCCCC 270004a_100020586998_100011216694 [1,1,0,0,0,0|2,0,0]=4 8040 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [1,1,0,0,0,0|2,0,0]=4 8041 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [1,1,0,0,0,0|2,0,0]=4 8042 B13R0.66 C=CCOCCCCC(C)CCCC 34a_200011021034_100015514636 [1,1,0,0,0,0|2,0,0]=4 8043 B13R0.66 C=CCOCCCCC(C)CCCC 7a_200011021034_100015514636 [1,1,0,0,0,0|2,0,0]=4 8044 B13R0.66 CC(CCCCl)OCCCCCC=O 7a_200000718107_100000139337 [1,1,0,0,0,0|2,0,0]=4 8045 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [1,1,0,0,0,0|0,0,2]=4 8046 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [1,1,0,0,0,0|0,0,2]=4 8047 B13R0.66 CCCCC(C)CCCCOCC=O 34a_200011021034_200009817547 [1,1,0,0,0,0|1,0,0]=3 8048 B13R0.66 CCCCC(C)CCCCOCC=O 7a_200011021034_200015260668 [1,1,0,0,0,0|1,0,0]=3 8049 B13R0.66 CCCCC(C)CCCCOCCO 34a_200011021034_100000211926 [1,1,0,0,0,0|1,0,1]=4 8050 B13R0.66 CCCCC(C)CCCCOCCO 7a_200011021034_100000211926 [1,1,0,0,0,0|1,0,1]=4 8051 B13R0.66 CCCCC(C)COCCCCC=O 7a_100011995851_100000139335 [1,1,0,0,0,0|1,0,0]=3 8052 B13R0.66 CCCCC(C)COCCCCCO 34a_100011995851_100000746330 [1,1,0,0,0,0|1,0,1]=4 8053 B13R0.66 CCCCC(C)COCCCCCO 7a_100011995851_100000746330 [1,1,0,0,0,0|1,0,1]=4 8054 B13R0.66 CCCCC(C)NCCCCCC=O 2230a_100000126638_100000139337 [1,1,0,0,0,0|1,0,0]=3 8055 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000126638_100000766143 [1,1,0,0,0,0|1,0,1]=4 8056 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000686447_200011215066 [1,1,0,0,0,0|1,0,1]=4 8057 B13R0.66 CCCCC(C)NCCCCCCO 270004a_100000686447_100000210087 [1,1,0,0,0,0|1,0,1]=4 8058 B13R0.66 CCCCC(C)NCCCCCCO 34a_100000686447_200011215066 [1,1,0,0,0,0|1,0,1]=4 8059 B13R0.66 CCCCC(C)OCCCCCC=O 7a_100000687866_100000139337 [1,1,0,0,0,0|1,0,0]=3 8060 B13R0.66 CCCCC(C)OCCCCCCO 34a_100000687866_100000766143 [1,1,0,0,0,0|1,0,1]=4 8061 B13R0.66 CCCCC(C)OCCCCCCO 7a_100000687866_100000766143 [1,1,0,0,0,0|1,0,1]=4 8062 B13R0.66 CCCCC(C)SCCCCCC=O 62a_100000139337_200011215066 [1,1,0,0,0,0|1,0,0]=3 8063 B13R0.66 CCCCC(C)SCCCCCC=O 62a_200011215066_100000139337 [1,1,0,0,0,0|1,0,0]=3 8064 B13R0.66 CCCCC(C)SCCCCCCO 62a_100000766143_200011215066 [1,1,0,0,0,0|1,0,1]=4 8065 B13R0.66 CCCCC(C)SCCCCCCO 62a_200011215066_100000766143 [1,1,0,0,0,0|1,0,1]=4 8066 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [1,1,0,0,0,0|0,0,2]=4 8067 B13R0.66 CCCCCCCCC(C)NCCO 270004a_100000210304_100011216694 [1,1,0,0,0,0|1,0,1]=4 8068 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [1,1,0,0,0,0|1,0,0]=3 8069 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [1,1,0,0,0,0|1,0,0]=3 8070 B13R0.66 CCCCCCCCC(C)OCCO 34a_100000210740_100000211926 [1,1,0,0,0,0|1,0,1]=4 8071 B13R0.66 CCCCCCCCC(C)OCCO 7a_100000210740_100000211926 [1,1,0,0,0,0|1,0,1]=4 8072 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000207567_100000230001 [1,1,0,0,0,0|1,0,1]=4 8073 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000213112_100000210759 [1,1,0,0,0,0|1,0,1]=4 8074 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000207567_100011215043 [1,1,0,0,0,0|1,0,1]=4 8075 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000213112_100000210759 [1,1,0,0,0,0|1,0,1]=4 8076 B13R0.66 CCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210314 [1,1,0,0,0,0|1,0,1]=4 8077 B13R0.66 CCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210314 [1,1,0,0,0,0|1,0,1]=4 8078 B13R0.66 CCCCN(C)CCCCCCCO 2230a_100000207549_100000760002 [1,1,0,0,0,0|1,0,1]=4 8079 B13R0.66 CCCCN(C)CCCCCCCO 269982a_100000207549_100000760002 [1,1,0,0,0,0|1,0,1]=4 8080 B13R0.66 CCCC[C@H](N)COCCCCCO 34a_100011934283_100000746330 [1,1,0,0,0,0|1,0,1]=4 8081 B13R0.66 CCCOC(C)CNCCCCC=O 2230a_100015185124_100000139335 [1,1,0,0,0,0|2,0,0]=4 8082 B13R0.66 CCOCC(C)OCCCCCC=O 7a_100000718985_100000139337 [1,1,0,0,0,0|2,0,0]=4 8083 B13R0.66 CCOCC(O)CNCCCCC=O 2230a_102515437182_100000139335 [1,1,0,0,0,0|2,0,0]=4 8084 B13R0.66 C[C@H](CCCO)CNCCCCC=O 2230a_100160569302_100000139335 [1,1,0,0,0,0|2,0,0]=4 8085 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [1,1,0,0,0,0|1,0,1]=4 8086 B13R0.147 C=CC(C)COCCCCCCCC 34a_100011215527_100000210759 [1,1,0,0,0,0|2,0,0]=4 8087 B13R0.147 C=CC(C)COCCCCCCCC 7a_100011215527_100000210759 [1,1,0,0,0,0|2,0,0]=4 8088 B13R0.147 C=CC(C)OCCCCCCCCC 34a_100000695699_100011214924 [1,1,0,0,0,0|2,0,0]=4 8089 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [1,1,0,0,0,0|2,0,0]=4 8090 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [1,1,0,0,0,0|2,0,0]=4 8091 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [1,1,0,0,0,0|2,0,0]=4 8092 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [1,1,0,0,0,0|2,0,0]=4 8093 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [1,1,0,0,0,0|2,0,0]=4 8094 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [1,1,0,0,0,0|2,0,0]=4 8095 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [1,1,0,0,0,0|1,0,1]=4 8096 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [1,1,0,0,0,0|1,0,1]=4 8097 B13R0.147 C=CCCCCCCCCN(C)CC 2230a_100000225621_100011933949 [1,1,0,0,0,0|2,0,0]=4 8098 B13R0.147 C=CCCCCCCCCN(C)CC 269982a_100000225621_100011933949 [1,1,0,0,0,0|2,0,0]=4 8099 B13R0.147 C=CCCCCCCCNC(C)CC 2230a_100000209981_100012355270 [1,1,0,0,0,0|2,0,0]=4 8100 B13R0.147 C=CCCCCCCCOC(C)CC 34a_100000730831_100011215416 [1,1,0,0,0,0|2,0,0]=4 8101 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000210228_100012355270 [1,1,0,0,0,0|2,0,0]=4 8102 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000730831_100000758301 [1,1,0,0,0,0|2,0,0]=4 8103 B13R0.147 C=CCCCCCCNCC(C)CC 2230a_100020588543_100011215473 [1,1,0,0,0,0|2,0,0]=4 8104 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [1,1,0,0,0,0|2,0,0]=4 8105 B13R0.147 C=CCCCCCCOCC(C)CC 34a_200011216477_100000748023 [1,1,0,0,0,0|2,0,0]=4 8106 B13R0.147 C=CCCCCCCOCC(C)CC 7a_200011216477_100000748023 [1,1,0,0,0,0|2,0,0]=4 8107 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [1,1,0,0,0,0|2,0,0]=4 8108 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [1,1,0,0,0,0|2,0,0]=4 8109 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 34a_200011216477_100009816398 [1,1,0,0,0,0|2,0,0]=4 8110 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215473 [1,1,0,0,0,0|2,0,0]=4 8111 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_200011216477_100009816398 [1,1,0,0,0,0|2,0,0]=4 8112 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100000748023_100011215473 [1,1,0,0,0,0|2,0,0]=4 8113 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100011215473_100000748023 [1,1,0,0,0,0|2,0,0]=4 8114 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [1,1,0,0,0,0|2,0,0]=4 8115 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [1,1,0,0,0,0|2,0,0]=4 8116 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100009816398_100011215473 [1,1,0,0,0,0|2,0,0]=4 8117 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100011215473_100009816398 [1,1,0,0,0,0|2,0,0]=4 8118 B13R0.147 C=CCCCCCNCCC(C)CC 2230a_100020591266_100000700193 [1,1,0,0,0,0|2,0,0]=4 8119 B13R0.147 C=CCCCCCOCCC(C)CC 7a_100011215188_100000700193 [1,1,0,0,0,0|2,0,0]=4 8120 B13R0.147 C=CCCCCOCCCC(C)CC 7a_100011216074_100011215482 [1,1,0,0,0,0|2,0,0]=4 8121 B13R0.147 C=CCCOCCCCCC(C)CC 7a_200000035636_100000754431 [1,1,0,0,0,0|2,0,0]=4 8122 B13R0.147 C=C[C@H](N)COCCCCCCCC 34a_100016989147_100000210759 [1,1,0,0,0,0|2,0,0]=4 8123 B13R0.147 CC(CO)CCNCCCCCC=O 2230a_106354213184_100000139337 [1,1,0,0,0,0|2,0,0]=4 8124 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [1,1,0,0,0,0|0,0,2]=4 8125 B13R0.147 CCC(C)CCCCCOCCCO 7a_200000035636_100011215043 [1,1,0,0,0,0|1,0,1]=4 8126 B13R0.147 CCC(C)CCCOCCCCC=O 7a_100011216074_100000139335 [1,1,0,0,0,0|1,0,0]=3 8127 B13R0.147 CCC(C)CCCOCCCCCO 7a_100011216074_100000746330 [1,1,0,0,0,0|1,0,1]=4 8128 B13R0.147 CCC(C)CCNCCCCCC=O 2230a_100020591266_100000139337 [1,1,0,0,0,0|1,0,0]=3 8129 B13R0.147 CCC(C)CCNCCCCCCO 2230a_100020591266_100000766143 [1,1,0,0,0,0|1,0,1]=4 8130 B13R0.147 CCC(C)CCOCCCCCC=O 7a_100011215188_100000139337 [1,1,0,0,0,0|1,0,0]=3 8131 B13R0.147 CCC(C)CCOCCCCCCO 7a_100011215188_100000766143 [1,1,0,0,0,0|1,0,1]=4 8132 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100011996573_100000748023 [1,1,0,0,0,0|1,0,1]=4 8133 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100020588543_100000760002 [1,1,0,0,0,0|1,0,1]=4 8134 B13R0.147 CCC(C)CNCCCCCCCO 270004a_100011996573_100000243153 [1,1,0,0,0,0|1,0,1]=4 8135 B13R0.147 CCC(C)CNCCCCCCCO 34a_100011996573_100000748023 [1,1,0,0,0,0|1,0,1]=4 8136 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000748023_100000760002 [1,1,0,0,0,0|1,0,1]=4 8137 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000760002_100000748023 [1,1,0,0,0,0|1,0,1]=4 8138 B13R0.147 CCC(C)NCCCCCCCCO 2230a_100000209981_100000033203 [1,1,0,0,0,0|1,0,1]=4 8139 B13R0.147 CCC(C)NCCCCCCCCO 2230a_102515433106_100000758301 [1,1,0,0,0,0|1,0,1]=4 8140 B13R0.147 CCC(C)NCCCCCCCCO 34a_102515433106_100011215416 [1,1,0,0,0,0|1,0,1]=4 8141 B13R0.147 CCC(C)OCCCCCCCCO 7a_100000210228_100000033203 [1,1,0,0,0,0|1,0,1]=4 8142 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000033203_100000758301 [1,1,0,0,0,0|1,0,1]=4 8143 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000758301_100000033203 [1,1,0,0,0,0|1,0,1]=4 8144 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011218483_100000760002 [1,1,0,0,0,0|1,0,1]=4 8145 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011996573_100011218378 [1,1,0,0,0,0|1,0,1]=4 8146 B13R0.147 CCC(O)CNCCCCCCCO 34a_100011996573_100011218378 [1,1,0,0,0,0|1,0,1]=4 8147 B13R0.147 CCC(O)CSCCCCCCCO 62a_100000760002_100011218378 [1,1,0,0,0,0|1,0,1]=4 8148 B13R0.147 CCC(O)CSCCCCCCCO 62a_100011218378_100000760002 [1,1,0,0,0,0|1,0,1]=4 8149 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [1,1,0,0,0,0|0,0,2]=4 8150 B13R0.147 CCCCCCCCCCC(C)NC 270004a_106832991635_200011219864 [1,1,0,0,0,0|2,0,0]=4 8151 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [1,1,0,0,0,0|2,0,0]=4 8152 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [1,1,0,0,0,0|2,0,0]=4 8153 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [1,1,0,0,0,0|2,0,0]=4 8154 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [1,1,0,0,0,0|2,0,0]=4 8155 B13R0.147 CCCCCCCCCNC(C)CO 2230a_100000212291_100012180447 [1,1,0,0,0,0|1,0,1]=4 8156 B13R0.147 CCCCCCCCCNC(C)CO 34a_100000212291_100012180447 [1,1,0,0,0,0|1,0,1]=4 8157 B13R0.147 CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011214924 [1,1,0,0,0,0|1,0,1]=4 8158 B13R0.147 CCCCCCCCCOC(C)CO 34a_100000210712_100012180447 [1,1,0,0,0,0|1,0,1]=4 8159 B13R0.147 CCCCCCCCCOC(C)CO 7a_100000210712_100012180447 [1,1,0,0,0,0|1,0,1]=4 8160 B13R0.147 CCCCCCCCCSC(C)CO 62a_100012180447_100000210670 [1,1,0,0,0,0|1,0,1]=4 8161 B13R0.147 CCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210670 [1,1,0,0,0,0|1,0,1]=4 8162 B13R0.147 CCCCCCCCNCC(C)CO 34a_100000744482_100000210759 [1,1,0,0,0,0|1,0,1]=4 8163 B13R0.147 CCCCCCCCNCC(O)CO 2230a_100000229939_100011219619 [1,1,0,0,0,0|1,0,1]=4 8164 B13R0.147 CCCCCCCCNCC(O)CO 34a_100000229939_100011219619 [1,1,0,0,0,0|1,0,1]=4 8165 B13R0.147 CCCCCCCCNC[C@@H](C)CO 2230a_100000229939_100000059175 [1,1,0,0,0,0|1,0,1]=4 8166 B13R0.147 CCCCCCCCNC[C@@H](C)CO 34a_100000229939_100000059175 [1,1,0,0,0,0|1,0,1]=4 8167 B13R0.147 CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210759 [1,1,0,0,0,0|1,0,1]=4 8168 B13R0.147 CCCCCCCCNC[C@@H](O)CO 2230a_100000229939_100009815848 [1,1,0,0,0,0|1,0,1]=4 8169 B13R0.147 CCCCCCCCNC[C@@H](O)CO 34a_100000229939_100009815848 [1,1,0,0,0,0|1,0,1]=4 8170 B13R0.147 CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210759 [1,1,0,0,0,0|1,0,1]=4 8171 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [1,1,0,0,0,0|1,0,1]=4 8172 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [1,1,0,0,0,0|1,0,1]=4 8173 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [1,1,0,0,0,0|1,0,1]=4 8174 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [1,1,0,0,0,0|1,0,1]=4 8175 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [1,1,0,0,0,0|1,0,1]=4 8176 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [1,1,0,0,0,0|1,0,1]=4 8177 B13R0.147 CCCCCCCCSCC(O)CO 62a_100000210759_100011219619 [1,1,0,0,0,0|1,0,1]=4 8178 B13R0.147 CCCCCCCCSCC(O)CO 62a_100011219619_100000210317 [1,1,0,0,0,0|1,0,1]=4 8179 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210317 [1,1,0,0,0,0|1,0,1]=4 8180 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000210759_100000059175 [1,1,0,0,0,0|1,0,1]=4 8181 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100000210759_100009815848 [1,1,0,0,0,0|1,0,1]=4 8182 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210317 [1,1,0,0,0,0|1,0,1]=4 8183 B13R0.147 CCCCCCCNCCC(C)CO 2230a_106354213184_100000210681 [1,1,0,0,0,0|1,0,1]=4 8184 B13R0.147 CCCCCCCNCCC(C)CO 34a_106354213184_100000210614 [1,1,0,0,0,0|1,0,1]=4 8185 B13R0.147 CCN(C)CCCCCCCCCO 2230a_100000225621_100009813782 [1,1,0,0,0,0|1,0,1]=4 8186 B13R0.147 CCN(C)CCCCCCCCCO 269982a_100000225621_100009813782 [1,1,0,0,0,0|1,0,1]=4 8187 B13R0.147 CCN(C)CCCSCCCCC=O 62a_100000139335_100015186262 [1,1,0,0,0,0|2,0,0]=4 8188 B13R0.147 CC[C@H](C)CNCCCCCCCO 2230a_100011996573_100009816398 [1,1,0,0,0,0|1,0,1]=4 8189 B13R0.147 CC[C@H](C)CNCCCCCCCO 34a_100011996573_100009816398 [1,1,0,0,0,0|1,0,1]=4 8190 B13R0.147 CC[C@H](C)COCCCCCCCO 7a_100009816381_100000760002 [1,1,0,0,0,0|1,0,1]=4 8191 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100000760002_100009816398 [1,1,0,0,0,0|1,0,1]=4 8192 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100009816398_100000760002 [1,1,0,0,0,0|1,0,1]=4 8193 B13R0.147 COC(C)CCOCCCCCC=O 7a_100000764861_100000139337 [1,1,0,0,0,0|2,0,0]=4 8194 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [1,1,0,0,0,0|1,0,1]=4 8195 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [1,1,0,0,0,0|1,0,1]=4 8196 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_100012000471_100000210314 [1,1,0,0,0,0|2,0,0]=4 8197 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_106256046315_100011215482 [1,1,0,0,0,0|2,0,0]=4 8198 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_100012000471_100000210757 [1,1,0,0,0,0|2,0,0]=4 8199 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_106256046315_100011215482 [1,1,0,0,0,0|2,0,0]=4 8200 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000210919_100011713584 [1,1,0,0,0,0|2,0,0]=4 8201 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000700776_100011215978 [1,1,0,0,0,0|2,0,0]=4 8202 B13R0.165 C=CCCCNC(C)CCCCCC 270004a_100000700776_100000210826 [1,1,0,0,0,0|2,0,0]=4 8203 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000210919_100000757094 [1,1,0,0,0,0|2,0,0]=4 8204 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000700776_100011215978 [1,1,0,0,0,0|2,0,0]=4 8205 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000210265_100000757094 [1,1,0,0,0,0|2,0,0]=4 8206 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000758997_100011215978 [1,1,0,0,0,0|2,0,0]=4 8207 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000210265_100000757094 [1,1,0,0,0,0|2,0,0]=4 8208 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000758997_100011215978 [1,1,0,0,0,0|2,0,0]=4 8209 B13R0.165 C=CCOCCC(C)CCCCCC 34a_200011024964_100015514636 [1,1,0,0,0,0|2,0,0]=4 8210 B13R0.165 C=CCOCCC(C)CCCCCC 7a_200011024964_100015514636 [1,1,0,0,0,0|2,0,0]=4 8211 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102619762_100000210757 [1,1,0,0,0,0|0,0,2]=4 8212 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102632555_100000746330 [1,1,0,0,0,0|0,0,2]=4 8213 B13R0.165 CCCCCCC(C)CCOCC=O 34a_200011024964_200009817547 [1,1,0,0,0,0|1,0,0]=3 8214 B13R0.165 CCCCCCC(C)CCOCC=O 7a_200011024964_200015260668 [1,1,0,0,0,0|1,0,0]=3 8215 B13R0.165 CCCCCCC(C)CCOCCO 34a_200011024964_100000211926 [1,1,0,0,0,0|1,0,1]=4 8216 B13R0.165 CCCCCCC(C)CCOCCO 7a_200011024964_100000211926 [1,1,0,0,0,0|1,0,1]=4 8217 B13R0.165 CCCCCCC(C)NCCCC=O 2230a_100000210919_200011292268 [1,1,0,0,0,0|1,0,0]=3 8218 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000210919_100000210776 [1,1,0,0,0,0|1,0,1]=4 8219 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000750430_100011215978 [1,1,0,0,0,0|1,0,1]=4 8220 B13R0.165 CCCCCCC(C)NCCCCO 270004a_100000750430_100000210826 [1,1,0,0,0,0|1,0,1]=4 8221 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000210919_100011216708 [1,1,0,0,0,0|1,0,1]=4 8222 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000750430_100011215978 [1,1,0,0,0,0|1,0,1]=4 8223 B13R0.165 CCCCCCC(C)OCCCC=O 7a_100000210265_200011292268 [1,1,0,0,0,0|1,0,0]=3 8224 B13R0.165 CCCCCCC(C)OCCCCO 34a_100000210265_100011216708 [1,1,0,0,0,0|1,0,1]=4 8225 B13R0.165 CCCCCCC(C)OCCCCO 7a_100000210265_100000210776 [1,1,0,0,0,0|1,0,1]=4 8226 B13R0.165 CCCCCCC(C)SCCCC=O 62a_100011215978_200011292268 [1,1,0,0,0,0|1,0,0]=3 8227 B13R0.165 CCCCCCC(C)SCCCC=O 62a_200011292268_100011215978 [1,1,0,0,0,0|1,0,0]=3 8228 B13R0.165 CCCCCCC(C)SCCCCO 62a_100000210776_100011215978 [1,1,0,0,0,0|1,0,1]=4 8229 B13R0.165 CCCCCCC(C)SCCCCO 62a_100011215978_100000210776 [1,1,0,0,0,0|1,0,1]=4 8230 B13R0.165 CCCCCCN(C)CCCCC=O 2230a_106256046315_100000139335 [1,1,0,0,0,0|1,0,0]=3 8231 B13R0.165 CCCCCCN(C)CCCCC=O 269982a_106256046315_100000139335 [1,1,0,0,0,0|1,0,0]=3 8232 B13R0.165 CCCCCCN(C)CCCCCO 2230a_100000722520_100000210314 [1,1,0,0,0,0|1,0,1]=4 8233 B13R0.165 CCCCCCN(C)CCCCCO 2230a_106256046315_100000746330 [1,1,0,0,0,0|1,0,1]=4 8234 B13R0.165 CCCCCCN(C)CCCCCO 269982a_100000722520_100000210757 [1,1,0,0,0,0|1,0,1]=4 8235 B13R0.165 CCCCCCN(C)CCCCCO 269982a_106256046315_100000746330 [1,1,0,0,0,0|1,0,1]=4 8236 B13R0.165 CCCCOCC(C)OCCCC=O 7a_100011217071_200011292268 [1,1,0,0,0,0|2,0,0]=4 8237 B13R0.165 CN(CCCCC=O)CCCCCO 2230a_100000722520_100000139335 [1,1,0,0,0,0|2,0,0]=4 8238 B13R0.165 CN(CCCCC=O)CCCCCO 269982a_100000722520_100000139335 [1,1,0,0,0,0|2,0,0]=4 8239 B13R0.336 C#CCCCCCCCCCCOC 34a_100000054667_200000210301 [1,1,0,0,0,0|1,0,1]=4 8240 B13R0.336 C#CCCCCCCCCCCOC 7a_100000054667_200000210301 [1,1,0,0,0,0|1,0,1]=4 8241 B13R0.336 C#CCCCCCCCCCCO[13CH3] 34a_100000054667_200025704644 [1,1,0,0,0,0|1,0,1]=4 8242 B13R0.336 C#CCCCCCCCCCCO[13CH3] 7a_100000054667_200025704644 [1,1,0,0,0,0|1,0,1]=4 8243 B13R0.336 C#CCCCCCCCCCOCC 34a_100000034437_100000210202 [1,1,0,0,0,0|1,0,1]=4 8244 B13R0.336 C#CCCCCCCCCCOCC 7a_100000034437_100000210202 [1,1,0,0,0,0|1,0,1]=4 8245 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [1,1,0,0,0,0|0,0,2]=4 8246 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [1,1,0,0,0,0|0,0,2]=4 8247 B13R0.336 C#CCCCCCCCCOCCC 34a_100000065265_100000210303 [1,1,0,0,0,0|1,0,1]=4 8248 B13R0.336 C#CCCCCCCCCOCCC 7a_100000065265_100000210303 [1,1,0,0,0,0|1,0,1]=4 8249 B13R0.336 C#CCCCCCCCNCCCC 2230a_100000102301_100153394163 [1,1,0,0,0,0|1,0,1]=4 8250 B13R0.336 C#CCCCCCCCNCCCC 7a_106832991798_100153394163 [1,1,0,0,0,0|1,0,1]=4 8251 B13R0.336 C#CCCCCCCCOCCCC 34a_100000054614_100000210210 [1,1,0,0,0,0|1,0,1]=4 8252 B13R0.336 C#CCCCCCCCOCCCC 34a_100000210227_100153394163 [1,1,0,0,0,0|1,0,1]=4 8253 B13R0.336 C#CCCCCCCCOCCCC 7a_100000054614_100000210211 [1,1,0,0,0,0|1,0,1]=4 8254 B13R0.336 C#CCCCCCCCOCCCC 7a_100000210227_100153394163 [1,1,0,0,0,0|1,0,1]=4 8255 B13R0.336 C#CCCCCCCCSCCCC 62a_100000210211_100153394163 [1,1,0,0,0,0|1,0,1]=4 8256 B13R0.336 C#CCCCCCCCSCCCC 62a_100153394163_100000210210 [1,1,0,0,0,0|1,0,1]=4 8257 B13R0.336 C#CCCCCCCNCCCCC 2230a_100000209983_100012276617 [1,1,0,0,0,0|1,0,1]=4 8258 B13R0.336 C#CCCCCCCOCCCC=O 7a_100011217361_200011292268 [1,1,0,0,0,0|0,0,2]=4 8259 B13R0.336 C#CCCCCCCOCCCCC 34a_100000210253_100012276617 [1,1,0,0,0,0|1,0,1]=4 8260 B13R0.336 C#CCCCCCCOCCCCC 34a_100011217361_100000718602 [1,1,0,0,0,0|1,0,1]=4 8261 B13R0.336 C#CCCCCCCOCCCCC 7a_100000210253_100012276617 [1,1,0,0,0,0|1,0,1]=4 8262 B13R0.336 C#CCCCCCCOCCCCC 7a_100011217361_100000210326 [1,1,0,0,0,0|1,0,1]=4 8263 B13R0.336 C#CCCCCCCSCCCC=O 62a_100012276617_200011292268 [1,1,0,0,0,0|0,0,2]=4 8264 B13R0.336 C#CCCCCCCSCCCC=O 62a_200011292268_100012276617 [1,1,0,0,0,0|0,0,2]=4 8265 B13R0.336 C#CCCCCCCSCCCCC 62a_100000210326_100012276617 [1,1,0,0,0,0|1,0,1]=4 8266 B13R0.336 C#CCCCCCCSCCCCC 62a_100012276617_100000210326 [1,1,0,0,0,0|1,0,1]=4 8267 B13R0.336 C#CCCCCCNCCCCCC 2230a_100000210581_100012094781 [1,1,0,0,0,0|1,0,1]=4 8268 B13R0.336 C#CCCCCCOCCCCC=O 7a_100000766912_100000139335 [1,1,0,0,0,0|0,0,2]=4 8269 B13R0.336 C#CCCCCCOCCCCCC 34a_100000210259_100012094781 [1,1,0,0,0,0|1,0,1]=4 8270 B13R0.336 C#CCCCCCOCCCCCC 34a_100000766912_100000210314 [1,1,0,0,0,0|1,0,1]=4 8271 B13R0.336 C#CCCCCCOCCCCCC 7a_100000210259_100012094781 [1,1,0,0,0,0|1,0,1]=4 8272 B13R0.336 C#CCCCCCOCCCCCC 7a_100000766912_100000210314 [1,1,0,0,0,0|1,0,1]=4 8273 B13R0.336 C#CCCCCCSCCCCC=O 62a_100000139335_100012094781 [1,1,0,0,0,0|0,0,2]=4 8274 B13R0.336 C#CCCCCCSCCCCC=O 62a_100012094781_100000139335 [1,1,0,0,0,0|0,0,2]=4 8275 B13R0.336 C#CCCCCCSCCCCCC 62a_100000210314_100012094781 [1,1,0,0,0,0|1,0,1]=4 8276 B13R0.336 C#CCCCCCSCCCCCC 62a_100012094781_100000210757 [1,1,0,0,0,0|1,0,1]=4 8277 B13R0.336 C#CCCCCNCCCCCC=O 2230a_100000706060_100000139337 [1,1,0,0,0,0|0,0,2]=4 8278 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000229938_100010269958 [1,1,0,0,0,0|1,0,1]=4 8279 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000706060_100000210681 [1,1,0,0,0,0|1,0,1]=4 8280 B13R0.336 C#CCCCCNCCCCCCC 34a_100000706060_100000210614 [1,1,0,0,0,0|1,0,1]=4 8281 B13R0.336 C#CCCCCOCCCCCC=O 7a_100000766709_100000139337 [1,1,0,0,0,0|0,0,2]=4 8282 B13R0.336 C#CCCCCOCCCCCCC 34a_100000210272_100010269958 [1,1,0,0,0,0|1,0,1]=4 8283 B13R0.336 C#CCCCCOCCCCCCC 34a_100000766709_100000210614 [1,1,0,0,0,0|1,0,1]=4 8284 B13R0.336 C#CCCCCOCCCCCCC 7a_100000210272_100010269958 [1,1,0,0,0,0|1,0,1]=4 8285 B13R0.336 C#CCCCCOCCCCCCC 7a_100000766709_100000210614 [1,1,0,0,0,0|1,0,1]=4 8286 B13R0.336 C#CCCCCSCCCCCC=O 62a_100000139337_100010269958 [1,1,0,0,0,0|0,0,2]=4 8287 B13R0.336 C#CCCCCSCCCCCC=O 62a_100010269958_100000139337 [1,1,0,0,0,0|0,0,2]=4 8288 B13R0.336 C#CCCCCSCCCCCCC 62a_100000210614_100010269958 [1,1,0,0,0,0|1,0,1]=4 8289 B13R0.336 C#CCCCCSCCCCCCC 62a_100010269958_100000210316 [1,1,0,0,0,0|1,0,1]=4 8290 B13R0.336 C#CCCCNCCCCCCCC 2230a_100000229939_100000731252 [1,1,0,0,0,0|1,0,1]=4 8291 B13R0.336 C#CCCCNCCCCCCCC 34a_100000229939_100000695029 [1,1,0,0,0,0|1,0,1]=4 8292 B13R0.336 C#CCCCNCCCCCCCC 34a_100000718082_100000210759 [1,1,0,0,0,0|1,0,1]=4 8293 B13R0.336 C#CCCCOCCCCCCCC 34a_100000210232_100000695029 [1,1,0,0,0,0|1,0,1]=4 8294 B13R0.336 C#CCCCOCCCCCCCC 34a_100000215630_100000210759 [1,1,0,0,0,0|1,0,1]=4 8295 B13R0.336 C#CCCCOCCCCCCCC 7a_100000210232_100011215417 [1,1,0,0,0,0|1,0,1]=4 8296 B13R0.336 C#CCCCOCCCCCCCC 7a_100000215630_100000210759 [1,1,0,0,0,0|1,0,1]=4 8297 B13R0.336 C#CCCCSCCCCCCCC 62a_100000210759_100011215417 [1,1,0,0,0,0|1,0,1]=4 8298 B13R0.336 C#CCCCSCCCCCCCC 62a_100011215417_100000210317 [1,1,0,0,0,0|1,0,1]=4 8299 B13R0.336 C#CCCNCCCCCCCCC 2230a_100000212291_100000688953 [1,1,0,0,0,0|1,0,1]=4 8300 B13R0.336 C#CCCNCCCCCCCCC 34a_100000212291_100000688953 [1,1,0,0,0,0|1,0,1]=4 8301 B13R0.336 C#CCCNCCCCCCCCC 34a_100000755551_100011214924 [1,1,0,0,0,0|1,0,1]=4 8302 B13R0.336 C#CCCOCCCCCCCCC 34a_100000210712_100000688953 [1,1,0,0,0,0|1,0,1]=4 8303 B13R0.336 C#CCCOCCCCCCCCC 34a_100011215631_100011214924 [1,1,0,0,0,0|1,0,1]=4 8304 B13R0.336 C#CCCOCCCCCCCCC 7a_100000210712_100000688953 [1,1,0,0,0,0|1,0,1]=4 8305 B13R0.336 C#CCCSCCCCCCCCC 62a_100000688953_100000210670 [1,1,0,0,0,0|1,0,1]=4 8306 B13R0.336 C#CCNCCCCCCCCCC 2230a_100000684558_100000038162 [1,1,0,0,0,0|1,0,1]=4 8307 B13R0.336 C#CCNCCCCCCCCCC 34a_100000212058_100000210320 [1,1,0,0,0,0|1,0,1]=4 8308 B13R0.336 C#CCNCCCCCCCCCC 34a_100000684558_100000184674 [1,1,0,0,0,0|1,0,1]=4 8309 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210247_100000210320 [1,1,0,0,0,0|1,0,1]=4 8310 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210711_100000184674 [1,1,0,0,0,0|1,0,1]=4 8311 B13R0.336 C#CCOCCCCCCCCCC 7a_100000210711_100000038162 [1,1,0,0,0,0|1,0,1]=4 8312 B13R0.336 C#CCSCCCCCCCCCC 62a_100000038162_100000210320 [1,1,0,0,0,0|1,0,1]=4 8313 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [1,1,0,0,0,0|1,0,1]=4 8314 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [1,1,0,0,0,0|1,0,1]=4 8315 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [1,1,0,0,0,0|1,0,1]=4 8316 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [1,1,0,0,0,0|1,0,1]=4 8317 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [1,1,0,0,0,0|1,0,1]=4 8318 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [1,1,0,0,0,0|1,0,0]=3 8319 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [1,1,0,0,0,0|1,0,0]=3 8320 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [1,1,0,0,0,0|1,0,0]=3 8321 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [1,1,0,0,0,0|1,0,0]=3 8322 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [1,1,0,0,0,0|1,0,0]=3 8323 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [1,1,0,0,0,0|1,0,0]=3 8324 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [1,1,0,0,0,0|1,0,0]=3 8325 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [1,1,0,0,0,0|2,0,0]=4 8326 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [1,1,0,0,0,0|1,0,0]=3 8327 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [1,1,0,0,0,0|1,0,0]=3 8328 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [1,1,0,0,0,0|1,0,0]=3 8329 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [1,1,0,0,0,0|2,0,0]=4 8330 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [1,1,0,0,0,0|2,0,0]=4 8331 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [1,1,0,0,0,0|2,0,0]=4 8332 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [1,1,0,0,0,0|2,0,0]=4 8333 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [1,1,0,0,0,0|2,0,0]=4 8334 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [1,1,0,0,0,0|2,0,0]=4 8335 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [1,1,0,0,0,0|2,0,0]=4 8336 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [1,1,0,0,0,0|0,0,2]=4 8337 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [1,1,0,0,0,0|0,0,2]=4 8338 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [1,1,0,0,0,0|2,0,0]=4 8339 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [1,1,0,0,0,0|1,0,0]=3 8340 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [1,1,0,0,0,0|1,0,0]=3 8341 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [1,1,0,0,0,0|1,0,0]=3 8342 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [1,1,0,0,0,0|2,0,0]=4 8343 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [1,1,0,0,0,0|2,0,0]=4 8344 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [1,1,0,0,0,0|2,0,0]=4 8345 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [1,1,0,0,0,0|2,0,0]=4 8346 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [1,1,0,0,0,0|2,0,0]=4 8347 B13R0.336 C=CCCCCCCCCOCSC 34a_100011215194_100011218213 [1,1,0,0,0,0|2,0,0]=4 8348 B13R0.336 C=CCCCCCCCCSCC=O 62a_100011933949_200015260668 [1,1,0,0,0,0|0,0,2]=4 8349 B13R0.336 C=CCCCCCCCCSCC=O 62a_200015260668_100011933949 [1,1,0,0,0,0|0,0,2]=4 8350 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [1,1,0,0,0,0|2,0,0]=4 8351 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [1,1,0,0,0,0|2,0,0]=4 8352 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [1,1,0,0,0,0|2,0,0]=4 8353 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [1,1,0,0,0,0|2,0,0]=4 8354 B13R0.336 C=CCCCCCCCCSCOC 62a_100000766300_100011933949 [1,1,0,0,0,0|2,0,0]=4 8355 B13R0.336 C=CCCCCCCCCSCOC 62a_100011933949_100000766300 [1,1,0,0,0,0|2,0,0]=4 8356 B13R0.336 C=CCCCCCCCCSCSC 62a_100011218213_100011933949 [1,1,0,0,0,0|2,0,0]=4 8357 B13R0.336 C=CCCCCCCCCSCSC 62a_100011933949_100011218213 [1,1,0,0,0,0|2,0,0]=4 8358 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [1,1,0,0,0,0|1,0,0]=3 8359 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [1,1,0,0,0,0|1,0,0]=3 8360 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [1,1,0,0,0,0|2,0,0]=4 8361 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [1,1,0,0,0,0|2,0,0]=4 8362 B13R0.336 C=CCCCCCCCNCCOC 2230a_100000209980_100012355270 [1,1,0,0,0,0|2,0,0]=4 8363 B13R0.336 C=CCCCCCCCNCCSC 2230a_100020590264_100012355270 [1,1,0,0,0,0|2,0,0]=4 8364 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [1,1,0,0,0,0|2,0,0]=4 8365 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [1,1,0,0,0,0|1,0,0]=3 8366 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [1,1,0,0,0,0|1,0,0]=3 8367 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [1,1,0,0,0,0|1,0,0]=3 8368 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [1,1,0,0,0,0|1,0,0]=3 8369 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [1,1,0,0,0,0|2,0,0]=4 8370 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [1,1,0,0,0,0|2,0,0]=4 8371 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [1,1,0,0,0,0|2,0,0]=4 8372 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [1,1,0,0,0,0|2,0,0]=4 8373 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [1,1,0,0,0,0|2,0,0]=4 8374 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [1,1,0,0,0,0|2,0,0]=4 8375 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [1,1,0,0,0,0|2,0,0]=4 8376 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [1,1,0,0,0,0|2,0,0]=4 8377 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [1,1,0,0,0,0|2,0,0]=4 8378 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [1,1,0,0,0,0|2,0,0]=4 8379 B13R0.336 C=CCCCCCCCOCCSC 34a_100000230434_100012355270 [1,1,0,0,0,0|2,0,0]=4 8380 B13R0.336 C=CCCCCCCCOCCSC 34a_100000730831_100000212216 [1,1,0,0,0,0|2,0,0]=4 8381 B13R0.336 C=CCCCCCCCOCCSC 7a_100000230434_100012355270 [1,1,0,0,0,0|2,0,0]=4 8382 B13R0.336 C=CCCCCCCCOCCSC 7a_100000730831_100000212216 [1,1,0,0,0,0|2,0,0]=4 8383 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [1,1,0,0,0,0|2,0,0]=4 8384 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [1,1,0,0,0,0|2,0,0]=4 8385 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [1,1,0,0,0,0|2,0,0]=4 8386 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [1,1,0,0,0,0|2,0,0]=4 8387 B13R0.336 C=CCCCCCCCSCCOC 62a_100000233755_100012355270 [1,1,0,0,0,0|2,0,0]=4 8388 B13R0.336 C=CCCCCCCCSCCOC 62a_100012355270_100000233755 [1,1,0,0,0,0|2,0,0]=4 8389 B13R0.336 C=CCCCCCCCSCCSC 62a_100000212216_100012355270 [1,1,0,0,0,0|2,0,0]=4 8390 B13R0.336 C=CCCCCCCCSCCSC 62a_100012355270_100000751147 [1,1,0,0,0,0|2,0,0]=4 8391 B13R0.336 C=CCCCCCCCSCOCC 62a_100000739092_100012355270 [1,1,0,0,0,0|2,0,0]=4 8392 B13R0.336 C=CCCCCCCCSCOCC 62a_100012355270_100000739092 [1,1,0,0,0,0|2,0,0]=4 8393 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [1,1,0,0,0,0|1,0,0]=3 8394 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [1,1,0,0,0,0|2,0,0]=4 8395 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [1,1,0,0,0,0|2,0,0]=4 8396 B13R0.336 C=CCCCCCCNCCCOC 34a_100150723488_100011215473 [1,1,0,0,0,0|2,0,0]=4 8397 B13R0.336 C=CCCCCCCNCCCSC 2230a_100000749238_100011215473 [1,1,0,0,0,0|2,0,0]=4 8398 B13R0.336 C=CCCCCCCNCCOCC 2230a_102516460346_100011215473 [1,1,0,0,0,0|2,0,0]=4 8399 B13R0.336 C=CCCCCCCNCCOCC 34a_102516460346_100011215473 [1,1,0,0,0,0|2,0,0]=4 8400 B13R0.336 C=CCCCCCCNCCSCC 2230a_100000106463_100011215473 [1,1,0,0,0,0|2,0,0]=4 8401 B13R0.336 C=CCCCCCCOCCCC=O 7a_200011216477_200011292268 [1,1,0,0,0,0|0,0,2]=4 8402 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [1,1,0,0,0,0|2,0,0]=4 8403 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [1,1,0,0,0,0|1,0,0]=3 8404 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [1,1,0,0,0,0|1,0,0]=3 8405 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [1,1,0,0,0,0|1,0,0]=3 8406 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [1,1,0,0,0,0|1,0,0]=3 8407 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [1,1,0,0,0,0|2,0,0]=4 8408 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [1,1,0,0,0,0|2,0,0]=4 8409 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [1,1,0,0,0,0|2,0,0]=4 8410 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [1,1,0,0,0,0|2,0,0]=4 8411 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [1,1,0,0,0,0|2,0,0]=4 8412 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [1,1,0,0,0,0|2,0,0]=4 8413 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [1,1,0,0,0,0|2,0,0]=4 8414 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [1,1,0,0,0,0|2,0,0]=4 8415 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [1,1,0,0,0,0|2,0,0]=4 8416 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [1,1,0,0,0,0|2,0,0]=4 8417 B13R0.336 C=CCCCCCCOCCCNC 34a_100000213112_100011215473 [1,1,0,0,0,0|2,0,0]=4 8418 B13R0.336 C=CCCCCCCOCCCOC 34a_100000740835_100011215473 [1,1,0,0,0,0|2,0,0]=4 8419 B13R0.336 C=CCCCCCCOCCCOC 34a_200011216477_100000740836 [1,1,0,0,0,0|2,0,0]=4 8420 B13R0.336 C=CCCCCCCOCCCOC 7a_200011216477_100000740836 [1,1,0,0,0,0|2,0,0]=4 8421 B13R0.336 C=CCCCCCCOCCCSC 34a_100000690336_100011215473 [1,1,0,0,0,0|2,0,0]=4 8422 B13R0.336 C=CCCCCCCOCCCSC 7a_100000690336_100011215473 [1,1,0,0,0,0|2,0,0]=4 8423 B13R0.336 C=CCCCCCCOCCOCC 34a_100000210136_100011215473 [1,1,0,0,0,0|2,0,0]=4 8424 B13R0.336 C=CCCCCCCOCCOCC 34a_200011216477_100000210147 [1,1,0,0,0,0|2,0,0]=4 8425 B13R0.336 C=CCCCCCCOCCOCC 7a_100000210136_100011215473 [1,1,0,0,0,0|2,0,0]=4 8426 B13R0.336 C=CCCCCCCOCCOCC 7a_200011216477_100011215890 [1,1,0,0,0,0|2,0,0]=4 8427 B13R0.336 C=CCCCCCCOCCSCC 34a_100000212035_100011215473 [1,1,0,0,0,0|2,0,0]=4 8428 B13R0.336 C=CCCCCCCOCCSCC 34a_200011216477_100000757381 [1,1,0,0,0,0|2,0,0]=4 8429 B13R0.336 C=CCCCCCCOCCSCC 7a_100000212035_100011215473 [1,1,0,0,0,0|2,0,0]=4 8430 B13R0.336 C=CCCCCCCOCCSCC 7a_200011216477_100000757381 [1,1,0,0,0,0|2,0,0]=4 8431 B13R0.336 C=CCCCCCCSCCCC=O 62a_100011215473_200011292268 [1,1,0,0,0,0|0,0,2]=4 8432 B13R0.336 C=CCCCCCCSCCCC=O 62a_200011292268_100011215473 [1,1,0,0,0,0|0,0,2]=4 8433 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [1,1,0,0,0,0|2,0,0]=4 8434 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [1,1,0,0,0,0|2,0,0]=4 8435 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [1,1,0,0,0,0|2,0,0]=4 8436 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [1,1,0,0,0,0|2,0,0]=4 8437 B13R0.336 C=CCCCCCCSCCCOC 62a_100000709357_100011215473 [1,1,0,0,0,0|2,0,0]=4 8438 B13R0.336 C=CCCCCCCSCCCOC 62a_100011215473_100000709357 [1,1,0,0,0,0|2,0,0]=4 8439 B13R0.336 C=CCCCCCCSCCOCC 62a_100000210147_100011215473 [1,1,0,0,0,0|2,0,0]=4 8440 B13R0.336 C=CCCCCCCSCCOCC 62a_100011215473_100011215890 [1,1,0,0,0,0|2,0,0]=4 8441 B13R0.336 C=CCCCCCCSCCSCC 62a_100000757381_100011215473 [1,1,0,0,0,0|2,0,0]=4 8442 B13R0.336 C=CCCCCCCSCCSCC 62a_100011215473_100000757381 [1,1,0,0,0,0|2,0,0]=4 8443 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [1,1,0,0,0,0|1,0,0]=3 8444 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [1,1,0,0,0,0|2,0,0]=4 8445 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [1,1,0,0,0,0|2,0,0]=4 8446 B13R0.336 C=CCCCCCNCCCOCC 2230a_100000210961_100000700193 [1,1,0,0,0,0|2,0,0]=4 8447 B13R0.336 C=CCCCCCNCCCOCC 34a_100000210961_100000700193 [1,1,0,0,0,0|2,0,0]=4 8448 B13R0.336 C=CCCCCCNCCOCCC 2230a_100161115042_100000700193 [1,1,0,0,0,0|2,0,0]=4 8449 B13R0.336 C=CCCCCCNCCOCCC 34a_100161115042_100000700193 [1,1,0,0,0,0|2,0,0]=4 8450 B13R0.336 C=CCCCCCNCCSCCC 2230a_100020603323_100000700193 [1,1,0,0,0,0|2,0,0]=4 8451 B13R0.336 C=CCCCCCOCCCCC=O 7a_100011216702_100000139335 [1,1,0,0,0,0|0,0,2]=4 8452 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [1,1,0,0,0,0|2,0,0]=4 8453 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [1,1,0,0,0,0|2,0,0]=4 8454 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [1,1,0,0,0,0|1,0,0]=3 8455 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [1,1,0,0,0,0|1,0,0]=3 8456 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [1,1,0,0,0,0|1,0,0]=3 8457 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [1,1,0,0,0,0|1,0,0]=3 8458 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [1,1,0,0,0,0|2,0,0]=4 8459 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [1,1,0,0,0,0|2,0,0]=4 8460 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [1,1,0,0,0,0|2,0,0]=4 8461 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [1,1,0,0,0,0|2,0,0]=4 8462 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [1,1,0,0,0,0|2,0,0]=4 8463 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [1,1,0,0,0,0|2,0,0]=4 8464 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [1,1,0,0,0,0|2,0,0]=4 8465 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [1,1,0,0,0,0|2,0,0]=4 8466 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [1,1,0,0,0,0|2,0,0]=4 8467 B13R0.336 C=CCCCCCOCCCCOC 34a_100000740925_100000700193 [1,1,0,0,0,0|2,0,0]=4 8468 B13R0.336 C=CCCCCCOCCCCOC 34a_100011216702_100000755781 [1,1,0,0,0,0|2,0,0]=4 8469 B13R0.336 C=CCCCCCOCCCCOC 7a_100011216702_100000730899 [1,1,0,0,0,0|2,0,0]=4 8470 B13R0.336 C=CCCCCCOCCCCSC 34a_100011217163_100000700193 [1,1,0,0,0,0|2,0,0]=4 8471 B13R0.336 C=CCCCCCOCCCCSC 7a_100011217163_100000700193 [1,1,0,0,0,0|2,0,0]=4 8472 B13R0.336 C=CCCCCCOCCCOCC 34a_100000757476_100000700193 [1,1,0,0,0,0|2,0,0]=4 8473 B13R0.336 C=CCCCCCOCCCOCC 34a_100011216702_100012232248 [1,1,0,0,0,0|2,0,0]=4 8474 B13R0.336 C=CCCCCCOCCCOCC 7a_100000757476_100000700193 [1,1,0,0,0,0|2,0,0]=4 8475 B13R0.336 C=CCCCCCOCCCOCC 7a_100011216702_100012232248 [1,1,0,0,0,0|2,0,0]=4 8476 B13R0.336 C=CCCCCCOCCCSCC 34a_100011216438_100000700193 [1,1,0,0,0,0|2,0,0]=4 8477 B13R0.336 C=CCCCCCOCCCSCC 7a_100011216438_100000700193 [1,1,0,0,0,0|2,0,0]=4 8478 B13R0.336 C=CCCCCCOCCOCCC 34a_100000752267_100000700193 [1,1,0,0,0,0|2,0,0]=4 8479 B13R0.336 C=CCCCCCOCCOCCC 34a_100011216702_100011215938 [1,1,0,0,0,0|2,0,0]=4 8480 B13R0.336 C=CCCCCCOCCOCCC 7a_100000752267_100000700193 [1,1,0,0,0,0|2,0,0]=4 8481 B13R0.336 C=CCCCCCOCCOCCC 7a_100011216702_100011215938 [1,1,0,0,0,0|2,0,0]=4 8482 B13R0.336 C=CCCCCCOCCSCCC 34a_200000230433_100000700193 [1,1,0,0,0,0|2,0,0]=4 8483 B13R0.336 C=CCCCCCOCCSCCC 7a_200000230433_100000700193 [1,1,0,0,0,0|2,0,0]=4 8484 B13R0.336 C=CCCCCCOCOCCCC 34a_100011216702_100011995733 [1,1,0,0,0,0|2,0,0]=4 8485 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000139335_100000700193 [1,1,0,0,0,0|0,0,2]=4 8486 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000700193_100000139335 [1,1,0,0,0,0|0,0,2]=4 8487 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [1,1,0,0,0,0|2,0,0]=4 8488 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [1,1,0,0,0,0|2,0,0]=4 8489 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [1,1,0,0,0,0|2,0,0]=4 8490 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [1,1,0,0,0,0|2,0,0]=4 8491 B13R0.336 C=CCCCCCSCCCCOC 62a_100000700193_100000730899 [1,1,0,0,0,0|2,0,0]=4 8492 B13R0.336 C=CCCCCCSCCCCOC 62a_100000730899_100000700193 [1,1,0,0,0,0|2,0,0]=4 8493 B13R0.336 C=CCCCCCSCCCOCC 62a_100000700193_100012232248 [1,1,0,0,0,0|2,0,0]=4 8494 B13R0.336 C=CCCCCCSCCCOCC 62a_100012232248_100000700193 [1,1,0,0,0,0|2,0,0]=4 8495 B13R0.336 C=CCCCCCSCCOCCC 62a_100000700193_100011215938 [1,1,0,0,0,0|2,0,0]=4 8496 B13R0.336 C=CCCCCCSCCOCCC 62a_100011215938_100000700193 [1,1,0,0,0,0|2,0,0]=4 8497 B13R0.336 C=CCCCCCSCOCCCC 62a_100000700193_100011995733 [1,1,0,0,0,0|2,0,0]=4 8498 B13R0.336 C=CCCCCCSCOCCCC 62a_100011995733_100000700193 [1,1,0,0,0,0|2,0,0]=4 8499 B13R0.336 C=CCCCCNCCCCCC=O 2230a_100000703577_100000139337 [1,1,0,0,0,0|0,0,2]=4 8500 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [1,1,0,0,0,0|1,0,0]=3 8501 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [1,1,0,0,0,0|1,0,0]=3 8502 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [1,1,0,0,0,0|1,0,0]=3 8503 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [1,1,0,0,0,0|2,0,0]=4 8504 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [1,1,0,0,0,0|2,0,0]=4 8505 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [1,1,0,0,0,0|2,0,0]=4 8506 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [1,1,0,0,0,0|2,0,0]=4 8507 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [1,1,0,0,0,0|2,0,0]=4 8508 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [1,1,0,0,0,0|2,0,0]=4 8509 B13R0.336 C=CCCCCNCCCCCOC 2230a_100000747528_100011215482 [1,1,0,0,0,0|2,0,0]=4 8510 B13R0.336 C=CCCCCNCCCCCOC 34a_100000747528_100011215482 [1,1,0,0,0,0|2,0,0]=4 8511 B13R0.336 C=CCCCCNCCCOCCC 2230a_100011217757_100011215482 [1,1,0,0,0,0|2,0,0]=4 8512 B13R0.336 C=CCCCCNCCCOCCC 34a_100011217757_100011215482 [1,1,0,0,0,0|2,0,0]=4 8513 B13R0.336 C=CCCCCNCCOCCCC 2230a_100000703577_100000743108 [1,1,0,0,0,0|2,0,0]=4 8514 B13R0.336 C=CCCCCNCCOCCCC 34a_100000703577_100000743108 [1,1,0,0,0,0|2,0,0]=4 8515 B13R0.336 C=CCCCCNCCSCCCC 2230a_100025743550_100011215482 [1,1,0,0,0,0|2,0,0]=4 8516 B13R0.336 C=CCCCCOCCCCCC=O 7a_100000766645_100000139337 [1,1,0,0,0,0|0,0,2]=4 8517 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [1,1,0,0,0,0|2,0,0]=4 8518 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [1,1,0,0,0,0|2,0,0]=4 8519 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [1,1,0,0,0,0|1,0,0]=3 8520 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [1,1,0,0,0,0|1,0,0]=3 8521 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [1,1,0,0,0,0|1,0,0]=3 8522 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [1,1,0,0,0,0|1,0,0]=3 8523 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [1,1,0,0,0,0|2,0,0]=4 8524 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [1,1,0,0,0,0|2,0,0]=4 8525 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [1,1,0,0,0,0|2,0,0]=4 8526 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [1,1,0,0,0,0|2,0,0]=4 8527 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [1,1,0,0,0,0|2,0,0]=4 8528 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [1,1,0,0,0,0|2,0,0]=4 8529 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [1,1,0,0,0,0|2,0,0]=4 8530 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [1,1,0,0,0,0|2,0,0]=4 8531 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [1,1,0,0,0,0|2,0,0]=4 8532 B13R0.336 C=CCCCCOCCCCCNC 34a_100000722520_100011215482 [1,1,0,0,0,0|2,0,0]=4 8533 B13R0.336 C=CCCCCOCCOCCCC 34a_100000210238_100011215482 [1,1,0,0,0,0|2,0,0]=4 8534 B13R0.336 C=CCCCCOCCOCCCC 34a_100000766645_100000743108 [1,1,0,0,0,0|2,0,0]=4 8535 B13R0.336 C=CCCCCOCCOCCCC 7a_100000210238_100011215482 [1,1,0,0,0,0|2,0,0]=4 8536 B13R0.336 C=CCCCCOCCOCCCC 7a_100000766645_100000743108 [1,1,0,0,0,0|2,0,0]=4 8537 B13R0.336 C=CCCCCOCCSCCCC 34a_200000230436_100011215482 [1,1,0,0,0,0|2,0,0]=4 8538 B13R0.336 C=CCCCCOCCSCCCC 7a_200000230436_100011215482 [1,1,0,0,0,0|2,0,0]=4 8539 B13R0.336 C=CCCCCSCCCCCC=O 62a_100000139337_100011215482 [1,1,0,0,0,0|0,0,2]=4 8540 B13R0.336 C=CCCCCSCCCCCC=O 62a_100011215482_100000139337 [1,1,0,0,0,0|0,0,2]=4 8541 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [1,1,0,0,0,0|2,0,0]=4 8542 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [1,1,0,0,0,0|2,0,0]=4 8543 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [1,1,0,0,0,0|2,0,0]=4 8544 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [1,1,0,0,0,0|2,0,0]=4 8545 B13R0.336 C=CCCCCSCCOCCCC 62a_100000743108_100011215482 [1,1,0,0,0,0|2,0,0]=4 8546 B13R0.336 C=CCCCCSCCOCCCC 62a_100011215482_100000743108 [1,1,0,0,0,0|2,0,0]=4 8547 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [1,1,0,0,0,0|1,0,0]=3 8548 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [1,1,0,0,0,0|1,0,0]=3 8549 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [1,1,0,0,0,0|1,0,0]=3 8550 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [1,1,0,0,0,0|1,0,0]=3 8551 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [1,1,0,0,0,0|2,0,0]=4 8552 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [1,1,0,0,0,0|2,0,0]=4 8553 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [1,1,0,0,0,0|2,0,0]=4 8554 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [1,1,0,0,0,0|2,0,0]=4 8555 B13R0.336 C=CCCCNCCCCCCOC 2230a_100000700776_100011998445 [1,1,0,0,0,0|2,0,0]=4 8556 B13R0.336 C=CCCCNCCCCCCOC 34a_100000700776_100011998445 [1,1,0,0,0,0|2,0,0]=4 8557 B13R0.336 C=CCCCNCCCOCCCC 2230a_200000211371_100011713584 [1,1,0,0,0,0|2,0,0]=4 8558 B13R0.336 C=CCCCNCCCOCCCC 34a_200000211371_100000757094 [1,1,0,0,0,0|2,0,0]=4 8559 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [1,1,0,0,0,0|2,0,0]=4 8560 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [1,1,0,0,0,0|2,0,0]=4 8561 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [1,1,0,0,0,0|1,0,0]=3 8562 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [1,1,0,0,0,0|1,0,0]=3 8563 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [1,1,0,0,0,0|1,0,0]=3 8564 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [1,1,0,0,0,0|1,0,0]=3 8565 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [1,1,0,0,0,0|2,0,0]=4 8566 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [1,1,0,0,0,0|2,0,0]=4 8567 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [1,1,0,0,0,0|2,0,0]=4 8568 B13R0.336 C=CCCCOCCCCCCOC 34a_100000758997_100011998445 [1,1,0,0,0,0|2,0,0]=4 8569 B13R0.336 C=CCCCOCCCCCCOC 34a_200012092642_100000757094 [1,1,0,0,0,0|2,0,0]=4 8570 B13R0.336 C=CCCCOCCCCCCOC 7a_100000758997_100011998445 [1,1,0,0,0,0|2,0,0]=4 8571 B13R0.336 C=CCCCOCCCCCCOC 7a_200012092642_100000757094 [1,1,0,0,0,0|2,0,0]=4 8572 B13R0.336 C=CCCCOCCCOCCCC 34a_200011215613_100000757094 [1,1,0,0,0,0|2,0,0]=4 8573 B13R0.336 C=CCCCOCCCOCCCC 7a_200011215613_100000757094 [1,1,0,0,0,0|2,0,0]=4 8574 B13R0.336 C=CCCCOCCNCCCCC 34a_100000224656_100000757094 [1,1,0,0,0,0|2,0,0]=4 8575 B13R0.336 C=CCCCOCCOCCCCC 34a_100011215259_100000757094 [1,1,0,0,0,0|2,0,0]=4 8576 B13R0.336 C=CCCCOCCOCCCCC 7a_100011215259_100000757094 [1,1,0,0,0,0|2,0,0]=4 8577 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [1,1,0,0,0,0|2,0,0]=4 8578 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [1,1,0,0,0,0|2,0,0]=4 8579 B13R0.336 C=CCCCSCCCCCCOC 62a_100011713584_100011998445 [1,1,0,0,0,0|2,0,0]=4 8580 B13R0.336 C=CCCCSCCCCCCOC 62a_100011998445_100000757094 [1,1,0,0,0,0|2,0,0]=4 8581 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [1,1,0,0,0,0|1,0,0]=3 8582 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [1,1,0,0,0,0|1,0,0]=3 8583 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [1,1,0,0,0,0|1,0,0]=3 8584 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [1,1,0,0,0,0|2,0,0]=4 8585 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [1,1,0,0,0,0|2,0,0]=4 8586 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [1,1,0,0,0,0|2,0,0]=4 8587 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [1,1,0,0,0,0|2,0,0]=4 8588 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [1,1,0,0,0,0|2,0,0]=4 8589 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [1,1,0,0,0,0|1,0,0]=3 8590 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [1,1,0,0,0,0|1,0,0]=3 8591 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [1,1,0,0,0,0|1,0,0]=3 8592 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [1,1,0,0,0,0|2,0,0]=4 8593 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [1,1,0,0,0,0|2,0,0]=4 8594 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [1,1,0,0,0,0|2,0,0]=4 8595 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [1,1,0,0,0,0|2,0,0]=4 8596 B13R0.336 C=CCCOCCCCNCCCC 34a_200011216965_100000754431 [1,1,0,0,0,0|2,0,0]=4 8597 B13R0.336 C=CCCOCCCCOCCCC 34a_200000760531_100000754431 [1,1,0,0,0,0|2,0,0]=4 8598 B13R0.336 C=CCCOCCCCOCCCC 7a_200000760531_100000754431 [1,1,0,0,0,0|2,0,0]=4 8599 B13R0.336 C=CCCOCCOCCCCCC 34a_100000691444_100000754431 [1,1,0,0,0,0|2,0,0]=4 8600 B13R0.336 C=CCCOCCOCCCCCC 7a_100000691444_100000754431 [1,1,0,0,0,0|2,0,0]=4 8601 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [1,1,0,0,0,0|2,0,0]=4 8602 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [1,1,0,0,0,0|2,0,0]=4 8603 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [1,1,0,0,0,0|1,0,0]=3 8604 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [1,1,0,0,0,0|1,0,0]=3 8605 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [1,1,0,0,0,0|1,0,0]=3 8606 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [1,1,0,0,0,0|2,0,0]=4 8607 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [1,1,0,0,0,0|2,0,0]=4 8608 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [1,1,0,0,0,0|2,0,0]=4 8609 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [1,1,0,0,0,0|2,0,0]=4 8610 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [1,1,0,0,0,0|2,0,0]=4 8611 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [1,1,0,0,0,0|1,0,0]=3 8612 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [1,1,0,0,0,0|1,0,0]=3 8613 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [1,1,0,0,0,0|1,0,0]=3 8614 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [1,1,0,0,0,0|2,0,0]=4 8615 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [1,1,0,0,0,0|2,0,0]=4 8616 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [1,1,0,0,0,0|2,0,0]=4 8617 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [1,1,0,0,0,0|2,0,0]=4 8618 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [1,1,0,0,0,0|2,0,0]=4 8619 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [1,1,0,0,0,0|2,0,0]=4 8620 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [1,1,0,0,0,0|2,0,0]=4 8621 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [1,1,0,0,0,0|2,0,0]=4 8622 B13R0.336 C=COCCCCOCCCCCC 34a_100000031558_100000210314 [1,1,0,0,0,0|2,0,0]=4 8623 B13R0.336 C=COCCCCOCCCCCC 7a_100000031558_100000210314 [1,1,0,0,0,0|2,0,0]=4 8624 B13R0.336 C=COCCCNCCCCCCC 2230a_100000210767_100000210681 [1,1,0,0,0,0|2,0,0]=4 8625 B13R0.336 C=COCCCNCCCCCCC 34a_100000210767_100000210614 [1,1,0,0,0,0|2,0,0]=4 8626 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [1,1,0,0,0,0|2,0,0]=4 8627 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [1,1,0,0,0,0|2,0,0]=4 8628 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [1,1,0,0,0,0|2,0,0]=4 8629 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [1,1,0,0,0,0|2,0,0]=4 8630 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [1,1,0,0,0,0|2,0,0]=4 8631 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [1,1,0,0,0,0|2,0,0]=4 8632 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [1,1,0,0,0,0|2,0,0]=4 8633 B13R0.336 CC/C=C/CCCOCCCCC=O 7a_100016287902_100000139335 [1,1,0,0,0,0|0,0,2]=4 8634 B13R0.336 CC/C=C\CCCCOCCCC=O 7a_100016287862_200011292268 [1,1,0,0,0,0|0,0,2]=4 8635 B13R0.336 CC/C=C\CCOCCCCCC=O 7a_100016288707_100000139337 [1,1,0,0,0,0|0,0,2]=4 8636 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100000139337_100015370543 [1,1,0,0,0,0|0,0,2]=4 8637 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100015370543_100000139337 [1,1,0,0,0,0|0,0,2]=4 8638 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [1,1,0,0,0,0|1,0,1]=4 8639 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [1,1,0,0,0,0|1,0,1]=4 8640 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [1,1,0,0,0,0|1,0,1]=4 8641 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [1,1,0,0,0,0|1,0,1]=4 8642 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [1,1,0,0,0,0|1,0,1]=4 8643 B13R0.336 CCC#CCCCCCCSCC=O 62a_200000036426_200015260668 [1,1,0,0,0,0|0,0,2]=4 8644 B13R0.336 CCC#CCCCCCCSCC=O 62a_200015260668_200000036426 [1,1,0,0,0,0|0,0,2]=4 8645 B13R0.336 CCC#CCCOCCCCCC=O 7a_100000036655_100000139337 [1,1,0,0,0,0|0,0,2]=4 8646 B13R0.336 CCC/C=C/COCCCCCC=O 7a_100016278788_100000139337 [1,1,0,0,0,0|0,0,2]=4 8647 B13R0.336 CCCC#CCCOCCCCC=O 7a_100000042726_100000139335 [1,1,0,0,0,0|0,0,2]=4 8648 B13R0.336 CCCC#CCOCCCCCC=O 7a_100000034806_100000139337 [1,1,0,0,0,0|0,0,2]=4 8649 B13R0.336 CCCC/C=C/CCCCOCC=O 34a_200020645093_200009817547 [1,1,0,0,0,0|0,0,2]=4 8650 B13R0.336 CCCC/C=C/CCCCOCC=O 7a_200020645093_200015260668 [1,1,0,0,0,0|0,0,2]=4 8651 B13R0.336 CCCC/C=C/COCCCCC=O 7a_200016272032_100000139335 [1,1,0,0,0,0|0,0,2]=4 8652 B13R0.336 CCCC/C=C\CCOCCCC=O 7a_200016286491_200011292268 [1,1,0,0,0,0|0,0,2]=4 8653 B13R0.336 CCCCC#CCCCCOCC=O 34a_200000066234_200009817547 [1,1,0,0,0,0|0,0,2]=4 8654 B13R0.336 CCCCC#CCCCCOCC=O 7a_200000066234_200015260668 [1,1,0,0,0,0|0,0,2]=4 8655 B13R0.336 CCCCC#CCCOCCCC=O 7a_100000037610_200011292268 [1,1,0,0,0,0|0,0,2]=4 8656 B13R0.336 CCCCC#CCOCCCCC=O 7a_200000034558_100000139335 [1,1,0,0,0,0|0,0,2]=4 8657 B13R0.336 CCCCC/C=C/COCCCC=O 7a_100016258190_200011292268 [1,1,0,0,0,0|0,0,2]=4 8658 B13R0.336 CCCCC/C=C\CCCOCC=O 34a_100020655193_200009817547 [1,1,0,0,0,0|0,0,2]=4 8659 B13R0.336 CCCCC/C=C\CCCOCC=O 7a_100020655193_200015260668 [1,1,0,0,0,0|0,0,2]=4 8660 B13R0.336 CCCCCC#CCOCCCC=O 7a_200000033628_200011292268 [1,1,0,0,0,0|0,0,2]=4 8661 B13R0.336 CCCCCC#CCSCCCC=O 62a_100009816472_200011292268 [1,1,0,0,0,0|0,0,2]=4 8662 B13R0.336 CCCCCC#CCSCCCC=O 62a_200011292268_100009816472 [1,1,0,0,0,0|0,0,2]=4 8663 B13R0.336 CCCCCCC#CCCOCC=O 34a_200000033163_200009817547 [1,1,0,0,0,0|0,0,2]=4 8664 B13R0.336 CCCCCCC#CCCOCC=O 7a_200000033163_200015260668 [1,1,0,0,0,0|0,0,2]=4 8665 B13R0.336 CCCCCCCC#CCOCC=O 34a_200000061759_200009817547 [1,1,0,0,0,0|0,0,2]=4 8666 B13R0.336 CCCCCCCC#CCOCC=O 7a_200000061759_200015260668 [1,1,0,0,0,0|0,0,2]=4 8667 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [1,1,0,0,0,0|1,0,1]=4 8668 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [1,1,0,0,0,0|1,0,1]=4 8669 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [1,1,0,0,0,0|1,0,1]=4 8670 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [1,1,0,0,0,0|1,0,1]=4 8671 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [1,1,0,0,0,0|1,0,1]=4 8672 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [1,1,0,0,0,0|1,0,1]=4 8673 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [1,1,0,0,0,0|1,0,1]=4 8674 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [1,1,0,0,0,0|1,0,1]=4 8675 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [1,1,0,0,0,0|0,0,1]=3 8676 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [1,1,0,0,0,0|0,0,1]=3 8677 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [1,1,0,0,0,0|0,0,1]=3 8678 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [1,1,0,0,0,0|0,0,1]=3 8679 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [1,1,0,0,0,0|0,0,1]=3 8680 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [1,1,0,0,0,0|1,0,1]=4 8681 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [1,1,0,0,0,0|1,0,1]=4 8682 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [1,1,0,0,0,0|1,0,1]=4 8683 B13R0.336 CCCCCCCCCCCNCF 34a_200011215754_100015361967 [1,1,0,0,0,0|1,0,1]=4 8684 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [1,1,0,0,0,0|1,0,1]=4 8685 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [1,1,0,0,0,0|1,0,1]=4 8686 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [1,1,0,0,0,0|1,0,1]=4 8687 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [1,1,0,0,0,0|1,0,1]=4 8688 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [1,1,0,0,0,0|1,0,1]=4 8689 B13R0.336 CCCCCCCCCCNCC#N 2230a_100000684558_100011215382 [1,1,0,0,0,0|1,0,1]=4 8690 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [1,1,0,0,0,0|0,0,0]=2 8691 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [1,1,0,0,0,0|0,0,0]=2 8692 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [1,1,0,0,0,0|1,0,1]=4 8693 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [1,1,0,0,0,0|1,0,1]=4 8694 B13R0.336 CCCCCCCCCCNCCF 2230a_100000684558_100011217306 [1,1,0,0,0,0|1,0,1]=4 8695 B13R0.336 CCCCCCCCCCNCCF 34a_100000684558_100011217306 [1,1,0,0,0,0|1,0,1]=4 8696 B13R0.336 CCCCCCCCCCNCCF 34a_100000724931_100000210320 [1,1,0,0,0,0|1,0,1]=4 8697 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [1,1,0,0,0,0|0,0,1]=3 8698 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [1,1,0,0,0,0|0,0,1]=3 8699 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [1,1,0,0,0,0|0,0,1]=3 8700 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [1,1,0,0,0,0|0,0,1]=3 8701 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [1,1,0,0,0,0|1,0,1]=4 8702 B13R0.336 CCCCCCCCCCNCSC 2230a_100000684558_100011218213 [1,1,0,0,0,0|2,0,0]=4 8703 B13R0.336 CCCCCCCCCCNCSC 34a_100000684558_100011218213 [1,1,0,0,0,0|2,0,0]=4 8704 B13R0.336 CCCCCCCCCCOCC#N 7a_100000210711_100011215382 [1,1,0,0,0,0|1,0,1]=4 8705 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [1,1,0,0,0,0|0,0,0]=2 8706 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [1,1,0,0,0,0|0,0,0]=2 8707 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [1,1,0,0,0,0|1,0,1]=4 8708 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [1,1,0,0,0,0|1,0,1]=4 8709 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [1,1,0,0,0,0|1,0,1]=4 8710 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [1,1,0,0,0,0|1,0,1]=4 8711 B13R0.336 CCCCCCCCCCOCCF 34a_100000210711_100011217306 [1,1,0,0,0,0|1,0,1]=4 8712 B13R0.336 CCCCCCCCCCOCCF 7a_100000210711_100011217306 [1,1,0,0,0,0|1,0,1]=4 8713 B13R0.336 CCCCCCCCCCOCCN 34a_100000210304_100000210320 [1,1,0,0,0,0|1,0,1]=4 8714 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [1,1,0,0,0,0|0,0,1]=3 8715 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [1,1,0,0,0,0|0,0,1]=3 8716 B13R0.336 CCCCCCCCCCOCSC 34a_100000210711_100011218213 [1,1,0,0,0,0|2,0,0]=4 8717 B13R0.336 CCCCCCCCCCSCC#N 62a_100011215382_100000210320 [1,1,0,0,0,0|1,0,1]=4 8718 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [1,1,0,0,0,0|0,0,0]=2 8719 B13R0.336 CCCCCCCCCCSCCF 62a_100011217306_100000210320 [1,1,0,0,0,0|1,0,1]=4 8720 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [1,1,0,0,0,0|0,0,1]=3 8721 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [1,1,0,0,0,0|1,0,1]=4 8722 B13R0.336 CCCCCCCCCNCCC#N 2230a_100000212291_100011215226 [1,1,0,0,0,0|1,0,1]=4 8723 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [1,1,0,0,0,0|1,0,1]=4 8724 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [1,1,0,0,0,0|1,0,1]=4 8725 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [1,1,0,0,0,0|1,0,1]=4 8726 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [1,1,0,0,0,0|1,0,1]=4 8727 B13R0.336 CCCCCCCCCNCCCF 2230a_100000212291_100011934791 [1,1,0,0,0,0|1,0,1]=4 8728 B13R0.336 CCCCCCCCCNCCCF 2230a_100015189416_100011214924 [1,1,0,0,0,0|1,0,1]=4 8729 B13R0.336 CCCCCCCCCNCCCF 34a_100000212291_100011934791 [1,1,0,0,0,0|1,0,1]=4 8730 B13R0.336 CCCCCCCCCNCCCF 34a_100015189416_100011214924 [1,1,0,0,0,0|1,0,1]=4 8731 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [1,1,0,0,0,0|0,0,1]=3 8732 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [1,1,0,0,0,0|0,0,1]=3 8733 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [1,1,0,0,0,0|1,0,1]=4 8734 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [1,1,0,0,0,0|1,0,1]=4 8735 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [1,1,0,0,0,0|1,0,1]=4 8736 B13R0.336 CCCCCCCCCNCCSC 2230a_100000212291_100000751147 [1,1,0,0,0,0|2,0,0]=4 8737 B13R0.336 CCCCCCCCCNCCSC 2230a_100020590264_100011214924 [1,1,0,0,0,0|2,0,0]=4 8738 B13R0.336 CCCCCCCCCNCCSC 34a_100000212291_100000212216 [1,1,0,0,0,0|2,0,0]=4 8739 B13R0.336 CCCCCCCCCOCCC#N 7a_100000210712_100000184422 [1,1,0,0,0,0|1,0,1]=4 8740 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [1,1,0,0,0,0|1,0,1]=4 8741 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [1,1,0,0,0,0|1,0,1]=4 8742 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [1,1,0,0,0,0|1,0,1]=4 8743 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [1,1,0,0,0,0|1,0,1]=4 8744 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [1,1,0,0,0,0|1,0,1]=4 8745 B13R0.336 CCCCCCCCCOCCCCl 34a_100000230001_100011214924 [1,1,0,0,0,0|1,0,1]=4 8746 B13R0.336 CCCCCCCCCOCCCF 34a_100000210712_100011934791 [1,1,0,0,0,0|1,0,1]=4 8747 B13R0.336 CCCCCCCCCOCCCF 34a_100000759539_100011214924 [1,1,0,0,0,0|1,0,1]=4 8748 B13R0.336 CCCCCCCCCOCCCF 7a_100000210712_100011934791 [1,1,0,0,0,0|1,0,1]=4 8749 B13R0.336 CCCCCCCCCOCCCN 34a_100000182051_100011214924 [1,1,0,0,0,0|1,0,1]=4 8750 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [1,1,0,0,0,0|0,0,1]=3 8751 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [1,1,0,0,0,0|0,0,1]=3 8752 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [1,1,0,0,0,0|1,0,1]=4 8753 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [1,1,0,0,0,0|1,0,1]=4 8754 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [1,1,0,0,0,0|1,0,1]=4 8755 B13R0.336 CCCCCCCCCOCCON 34a_100000700252_100011214924 [1,1,0,0,0,0|1,0,1]=4 8756 B13R0.336 CCCCCCCCCOCCSC 34a_100000210712_100000212216 [1,1,0,0,0,0|2,0,0]=4 8757 B13R0.336 CCCCCCCCCOCCSC 34a_100000230434_100011214924 [1,1,0,0,0,0|2,0,0]=4 8758 B13R0.336 CCCCCCCCCOCCSC 7a_100000210712_100000212216 [1,1,0,0,0,0|2,0,0]=4 8759 B13R0.336 CCCCCCCCCOCCSC 7a_100000230434_100000210328 [1,1,0,0,0,0|2,0,0]=4 8760 B13R0.336 CCCCCCCCCSCCC#N 62a_100011215226_100000210670 [1,1,0,0,0,0|1,0,1]=4 8761 B13R0.336 CCCCCCCCCSCCCF 62a_100011934791_100000210670 [1,1,0,0,0,0|1,0,1]=4 8762 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [1,1,0,0,0,0|0,0,1]=3 8763 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [1,1,0,0,0,0|1,0,1]=4 8764 B13R0.336 CCCCCCCCCSCCSC 62a_100000212216_100000210670 [1,1,0,0,0,0|2,0,0]=4 8765 B13R0.336 CCCCCCCCNCCCC#N 2230a_100000229939_100000687738 [1,1,0,0,0,0|1,0,1]=4 8766 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [1,1,0,0,0,0|0,0,0]=2 8767 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [1,1,0,0,0,0|1,0,1]=4 8768 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [1,1,0,0,0,0|1,0,1]=4 8769 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [1,1,0,0,0,0|1,0,1]=4 8770 B13R0.336 CCCCCCCCNCCCCF 2230a_100000229939_100000729493 [1,1,0,0,0,0|1,0,1]=4 8771 B13R0.336 CCCCCCCCNCCCCF 34a_100000229939_100000729493 [1,1,0,0,0,0|1,0,1]=4 8772 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [1,1,0,0,0,0|0,0,1]=3 8773 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [1,1,0,0,0,0|0,0,1]=3 8774 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [1,1,0,0,0,0|0,0,1]=3 8775 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [1,1,0,0,0,0|0,0,1]=3 8776 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [1,1,0,0,0,0|1,0,1]=4 8777 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [1,1,0,0,0,0|1,0,1]=4 8778 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [1,1,0,0,0,0|1,0,1]=4 8779 B13R0.336 CCCCCCCCNCCCSC 2230a_100000749238_100000210759 [1,1,0,0,0,0|2,0,0]=4 8780 B13R0.336 CCCCCCCCOCCCC#N 7a_100000210232_100000687738 [1,1,0,0,0,0|1,0,1]=4 8781 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [1,1,0,0,0,0|0,0,0]=2 8782 B13R0.336 CCCCCCCCOCCCCBr 34a_100011216708_100000210759 [1,1,0,0,0,0|1,0,1]=4 8783 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [1,1,0,0,0,0|1,0,1]=4 8784 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [1,1,0,0,0,0|1,0,1]=4 8785 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [1,1,0,0,0,0|1,0,1]=4 8786 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [1,1,0,0,0,0|1,0,1]=4 8787 B13R0.336 CCCCCCCCOCCCCCl 34a_100000210776_100000210759 [1,1,0,0,0,0|1,0,1]=4 8788 B13R0.336 CCCCCCCCOCCCCCl 7a_100000210776_100000210759 [1,1,0,0,0,0|1,0,1]=4 8789 B13R0.336 CCCCCCCCOCCCCF 34a_100000210232_100000729493 [1,1,0,0,0,0|1,0,1]=4 8790 B13R0.336 CCCCCCCCOCCCCF 34a_100011995726_100000210759 [1,1,0,0,0,0|1,0,1]=4 8791 B13R0.336 CCCCCCCCOCCCCF 7a_100000210232_100000729493 [1,1,0,0,0,0|1,0,1]=4 8792 B13R0.336 CCCCCCCCOCCCCF 7a_100011995726_100000210759 [1,1,0,0,0,0|1,0,1]=4 8793 B13R0.336 CCCCCCCCOCCCCI 34a_200012148704_100000210759 [1,1,0,0,0,0|1,0,1]=4 8794 B13R0.336 CCCCCCCCOCCCCN 34a_100000750430_100000210759 [1,1,0,0,0,0|1,0,1]=4 8795 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [1,1,0,0,0,0|0,0,1]=3 8796 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [1,1,0,0,0,0|0,0,1]=3 8797 B13R0.336 CCCCCCCCOCCCNC 34a_100000213112_100000210759 [1,1,0,0,0,0|2,0,0]=4 8798 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [1,1,0,0,0,0|1,0,1]=4 8799 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [1,1,0,0,0,0|1,0,1]=4 8800 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [1,1,0,0,0,0|1,0,1]=4 8801 B13R0.336 CCCCCCCCOCCCSC 34a_100000690336_100000210759 [1,1,0,0,0,0|2,0,0]=4 8802 B13R0.336 CCCCCCCCOCCCSC 7a_100000690336_100000210759 [1,1,0,0,0,0|2,0,0]=4 8803 B13R0.336 CCCCCCCCSCCCC#N 62a_100000210759_100000687738 [1,1,0,0,0,0|1,0,1]=4 8804 B13R0.336 CCCCCCCCSCCCC#N 62a_100000687738_100000210317 [1,1,0,0,0,0|1,0,1]=4 8805 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [1,1,0,0,0,0|0,0,0]=2 8806 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [1,1,0,0,0,0|0,0,0]=2 8807 B13R0.336 CCCCCCCCSCCCCF 62a_100000210759_100000729493 [1,1,0,0,0,0|1,0,1]=4 8808 B13R0.336 CCCCCCCCSCCCCF 62a_100000729493_100000210317 [1,1,0,0,0,0|1,0,1]=4 8809 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [1,1,0,0,0,0|0,0,1]=3 8810 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [1,1,0,0,0,0|0,0,1]=3 8811 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [1,1,0,0,0,0|1,0,1]=4 8812 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [1,1,0,0,0,0|1,0,1]=4 8813 B13R0.336 CCCCCCCNCCCCC#N 2230a_100000229938_100000211819 [1,1,0,0,0,0|1,0,1]=4 8814 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [1,1,0,0,0,0|0,0,0]=2 8815 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [1,1,0,0,0,0|1,0,1]=4 8816 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [1,1,0,0,0,0|1,0,1]=4 8817 B13R0.336 CCCCCCCNCCCCCF 2230a_100000229938_100000729378 [1,1,0,0,0,0|1,0,1]=4 8818 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [1,1,0,0,0,0|0,0,1]=3 8819 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [1,1,0,0,0,0|0,0,1]=3 8820 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [1,1,0,0,0,0|0,0,1]=3 8821 B13R0.336 CCCCCCCNCCCCOC 2230a_100000229938_100000730899 [1,1,0,0,0,0|1,0,1]=4 8822 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [1,1,0,0,0,0|1,0,1]=4 8823 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [1,1,0,0,0,0|1,0,1]=4 8824 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [1,1,0,0,0,0|1,0,1]=4 8825 B13R0.336 CCCCCCCNCCSCCO 2230a_100011219999_100000210681 [1,1,0,0,0,0|1,0,1]=4 8826 B13R0.336 CCCCCCCOCCCCC#N 7a_100000210272_100000211819 [1,1,0,0,0,0|1,0,1]=4 8827 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [1,1,0,0,0,0|0,0,0]=2 8828 B13R0.336 CCCCCCCOCCCCCBr 34a_100000746331_100000210614 [1,1,0,0,0,0|1,0,1]=4 8829 B13R0.336 CCCCCCCOCCCCCBr 7a_100000746331_100000210614 [1,1,0,0,0,0|1,0,1]=4 8830 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [1,1,0,0,0,0|1,0,1]=4 8831 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [1,1,0,0,0,0|1,0,1]=4 8832 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [1,1,0,0,0,0|1,0,1]=4 8833 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [1,1,0,0,0,0|1,0,1]=4 8834 B13R0.336 CCCCCCCOCCCCCCl 34a_100000746330_100000210614 [1,1,0,0,0,0|1,0,1]=4 8835 B13R0.336 CCCCCCCOCCCCCCl 7a_100000746330_100000210614 [1,1,0,0,0,0|1,0,1]=4 8836 B13R0.336 CCCCCCCOCCCCCF 34a_100000210272_100000729378 [1,1,0,0,0,0|1,0,1]=4 8837 B13R0.336 CCCCCCCOCCCCCF 7a_100000210272_100000729378 [1,1,0,0,0,0|1,0,1]=4 8838 B13R0.336 CCCCCCCOCCCCCI 34a_200012148887_100000210614 [1,1,0,0,0,0|1,0,1]=4 8839 B13R0.336 CCCCCCCOCCCCCI 7a_200012148887_100000210614 [1,1,0,0,0,0|1,0,1]=4 8840 B13R0.336 CCCCCCCOCCCCCN 34a_100000762737_100000210614 [1,1,0,0,0,0|1,0,1]=4 8841 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [1,1,0,0,0,0|0,0,1]=3 8842 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [1,1,0,0,0,0|0,0,1]=3 8843 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [1,1,0,0,0,0|1,0,1]=4 8844 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [1,1,0,0,0,0|1,0,1]=4 8845 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [1,1,0,0,0,0|1,0,1]=4 8846 B13R0.336 CCCCCCCOCCCCSC 34a_100011217163_100000210614 [1,1,0,0,0,0|2,0,0]=4 8847 B13R0.336 CCCCCCCOCCCCSC 7a_100011217163_100000210614 [1,1,0,0,0,0|2,0,0]=4 8848 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [1,1,0,0,0,0|1,0,1]=4 8849 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [1,1,0,0,0,0|1,0,1]=4 8850 B13R0.336 CCCCCCCSCCCCC#N 62a_100000210614_100000211819 [1,1,0,0,0,0|1,0,1]=4 8851 B13R0.336 CCCCCCCSCCCCC#N 62a_100011219923_100000210316 [1,1,0,0,0,0|1,0,1]=4 8852 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [1,1,0,0,0,0|0,0,0]=2 8853 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [1,1,0,0,0,0|0,0,0]=2 8854 B13R0.336 CCCCCCCSCCCCCF 62a_100000210614_100000729378 [1,1,0,0,0,0|1,0,1]=4 8855 B13R0.336 CCCCCCCSCCCCCF 62a_100000729378_100000210316 [1,1,0,0,0,0|1,0,1]=4 8856 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [1,1,0,0,0,0|0,0,1]=3 8857 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [1,1,0,0,0,0|0,0,1]=3 8858 B13R0.336 CCCCCCCSCCCCOC 62a_100000210614_100000730899 [1,1,0,0,0,0|1,0,1]=4 8859 B13R0.336 CCCCCCCSCCCCOC 62a_100000730899_100000210316 [1,1,0,0,0,0|1,0,1]=4 8860 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [1,1,0,0,0,0|1,0,1]=4 8861 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [1,1,0,0,0,0|1,0,1]=4 8862 B13R0.336 CCCCCCNCCCCCC#N 2230a_100000210581_100009813376 [1,1,0,0,0,0|1,0,1]=4 8863 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [1,1,0,0,0,0|0,0,0]=2 8864 B13R0.336 CCCCCCNCCCCCCF 2230a_100000210581_100015922095 [1,1,0,0,0,0|1,0,1]=4 8865 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [1,1,0,0,0,0|0,0,1]=3 8866 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [1,1,0,0,0,0|0,0,1]=3 8867 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [1,1,0,0,0,0|0,0,1]=3 8868 B13R0.336 CCCCCCNCCCCCOC 2230a_100000747528_100000210314 [1,1,0,0,0,0|1,0,1]=4 8869 B13R0.336 CCCCCCNCCCCCOC 34a_100000747528_100000210314 [1,1,0,0,0,0|1,0,1]=4 8870 B13R0.336 CCCCCCOCCCCCC#N 7a_100000210259_100009813376 [1,1,0,0,0,0|1,0,1]=4 8871 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [1,1,0,0,0,0|0,0,0]=2 8872 B13R0.336 CCCCCCOCCCCCCBr 34a_100011215345_100000210314 [1,1,0,0,0,0|1,0,1]=4 8873 B13R0.336 CCCCCCOCCCCCCBr 7a_100011215345_100000210314 [1,1,0,0,0,0|1,0,1]=4 8874 B13R0.336 CCCCCCOCCCCCCCl 34a_100000766143_100000210314 [1,1,0,0,0,0|1,0,1]=4 8875 B13R0.336 CCCCCCOCCCCCCCl 7a_100000766143_100000210314 [1,1,0,0,0,0|1,0,1]=4 8876 B13R0.336 CCCCCCOCCCCCCF 34a_100000210259_100015922095 [1,1,0,0,0,0|1,0,1]=4 8877 B13R0.336 CCCCCCOCCCCCCF 34a_100000732779_100000210314 [1,1,0,0,0,0|1,0,1]=4 8878 B13R0.336 CCCCCCOCCCCCCF 7a_100000210259_100015922095 [1,1,0,0,0,0|1,0,1]=4 8879 B13R0.336 CCCCCCOCCCCCCF 7a_100000732779_100000210314 [1,1,0,0,0,0|1,0,1]=4 8880 B13R0.336 CCCCCCOCCCCCCN 34a_100000686447_100000210314 [1,1,0,0,0,0|1,0,1]=4 8881 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [1,1,0,0,0,0|0,0,1]=3 8882 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [1,1,0,0,0,0|0,0,1]=3 8883 B13R0.336 CCCCCCOCCCCCNC 34a_100000722520_100000210314 [1,1,0,0,0,0|2,0,0]=4 8884 B13R0.336 CCCCCCOCCOCCCO 34a_100000691444_100000230001 [1,1,0,0,0,0|1,0,1]=4 8885 B13R0.336 CCCCCCOCCOCCCO 7a_100000691444_100011215043 [1,1,0,0,0,0|1,0,1]=4 8886 B13R0.336 CCCCCCSCCCCCC#N 62a_100000210314_100009813376 [1,1,0,0,0,0|1,0,1]=4 8887 B13R0.336 CCCCCCSCCCCCC#N 62a_100009813376_100000210757 [1,1,0,0,0,0|1,0,1]=4 8888 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [1,1,0,0,0,0|0,0,0]=2 8889 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [1,1,0,0,0,0|0,0,0]=2 8890 B13R0.336 CCCCCCSCCCCCCF 62a_100000210314_100015922095 [1,1,0,0,0,0|1,0,1]=4 8891 B13R0.336 CCCCCCSCCCCCCF 62a_100015922095_100000210757 [1,1,0,0,0,0|1,0,1]=4 8892 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [1,1,0,0,0,0|0,0,1]=3 8893 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [1,1,0,0,0,0|0,0,1]=3 8894 B13R0.336 CCCCCNCCCCCCC#N 2230a_100000209983_100009813337 [1,1,0,0,0,0|1,0,1]=4 8895 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [1,1,0,0,0,0|0,0,1]=3 8896 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [1,1,0,0,0,0|0,0,1]=3 8897 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [1,1,0,0,0,0|0,0,1]=3 8898 B13R0.336 CCCCCNCCCCCCOC 2230a_100000209983_100011998445 [1,1,0,0,0,0|1,0,1]=4 8899 B13R0.336 CCCCCNCCCOCCCO 2230a_100011310245_100000210326 [1,1,0,0,0,0|1,0,1]=4 8900 B13R0.336 CCCCCNCCCOCCCO 34a_100011310245_100000718602 [1,1,0,0,0,0|1,0,1]=4 8901 B13R0.336 CCCCCNCCOCCCCO 34a_100000224656_100011216708 [1,1,0,0,0,0|1,0,1]=4 8902 B13R0.336 CCCCCOCCCCCCC#N 7a_100000210253_100009813337 [1,1,0,0,0,0|1,0,1]=4 8903 B13R0.336 CCCCCOCCCCCCCBr 34a_100000760002_100000718602 [1,1,0,0,0,0|1,0,1]=4 8904 B13R0.336 CCCCCOCCCCCCCBr 7a_100000760002_100000210326 [1,1,0,0,0,0|1,0,1]=4 8905 B13R0.336 CCCCCOCCCCCCCN 34a_100011996573_100000718602 [1,1,0,0,0,0|1,0,1]=4 8906 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [1,1,0,0,0,0|0,0,1]=3 8907 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [1,1,0,0,0,0|0,0,1]=3 8908 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [1,1,0,0,0,0|1,0,1]=4 8909 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [1,1,0,0,0,0|1,0,1]=4 8910 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [1,1,0,0,0,0|1,0,1]=4 8911 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [1,1,0,0,0,0|1,0,1]=4 8912 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [1,1,0,0,0,0|1,0,0]=3 8913 B13R0.336 CCCCCOCCOCCCCO 34a_100011215259_100011216708 [1,1,0,0,0,0|1,0,1]=4 8914 B13R0.336 CCCCCOCCOCCCCO 7a_100011215259_100000210776 [1,1,0,0,0,0|1,0,1]=4 8915 B13R0.336 CCCCCSCCCCCCC#N 62a_100000210326_100009813337 [1,1,0,0,0,0|1,0,1]=4 8916 B13R0.336 CCCCCSCCCCCCC#N 62a_100009813337_100000210326 [1,1,0,0,0,0|1,0,1]=4 8917 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [1,1,0,0,0,0|0,0,1]=3 8918 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [1,1,0,0,0,0|0,0,1]=3 8919 B13R0.336 CCCCCSCCCCCCOC 62a_100000210326_100011998445 [1,1,0,0,0,0|1,0,1]=4 8920 B13R0.336 CCCCCSCCCCCCOC 62a_100011998445_100000210326 [1,1,0,0,0,0|1,0,1]=4 8921 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [1,1,0,0,0,0|0,0,1]=3 8922 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [1,1,0,0,0,0|0,0,1]=3 8923 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [1,1,0,0,0,0|0,0,1]=3 8924 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [1,1,0,0,0,0|0,0,1]=3 8925 B13R0.336 CCCCNCCCCOCCCO 34a_200011216965_100000230001 [1,1,0,0,0,0|1,0,1]=4 8926 B13R0.336 CCCCOCCCCCCCCBr 34a_100009813846_100000210210 [1,1,0,0,0,0|1,0,1]=4 8927 B13R0.336 CCCCOCCCCCCCCBr 7a_100009813846_100000210211 [1,1,0,0,0,0|1,0,1]=4 8928 B13R0.336 CCCCOCCCCCCCCCl 34a_100000033203_100000210210 [1,1,0,0,0,0|1,0,1]=4 8929 B13R0.336 CCCCOCCCCCCCCCl 7a_100000033203_100000210211 [1,1,0,0,0,0|1,0,1]=4 8930 B13R0.336 CCCCOCCCCCCCCN 34a_102515433106_100000210210 [1,1,0,0,0,0|1,0,1]=4 8931 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [1,1,0,0,0,0|0,0,1]=3 8932 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [1,1,0,0,0,0|0,0,1]=3 8933 B13R0.336 CCCCOCCCCOCCCO 34a_200000760531_100000230001 [1,1,0,0,0,0|1,0,1]=4 8934 B13R0.336 CCCCOCCCCOCCCO 7a_200000760531_100011215043 [1,1,0,0,0,0|1,0,1]=4 8935 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [1,1,0,0,0,0|1,0,0]=3 8936 B13R0.336 CCCCOCCCNCCCCO 2230a_200000211371_100000210776 [1,1,0,0,0,0|1,0,1]=4 8937 B13R0.336 CCCCOCCCNCCCCO 34a_200000211371_100011216708 [1,1,0,0,0,0|1,0,1]=4 8938 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [1,1,0,0,0,0|1,0,0]=3 8939 B13R0.336 CCCCOCCCOCCCCO 34a_200011215613_100011216708 [1,1,0,0,0,0|1,0,1]=4 8940 B13R0.336 CCCCOCCCOCCCCO 7a_200011215613_100000210776 [1,1,0,0,0,0|1,0,1]=4 8941 B13R0.336 CCCCOCCNCCCCCO 2230a_100000762737_100000743108 [1,1,0,0,0,0|1,0,1]=4 8942 B13R0.336 CCCCOCCNCCCCCO 34a_100000762737_100000743108 [1,1,0,0,0,0|1,0,1]=4 8943 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [1,1,0,0,0,0|1,0,0]=3 8944 B13R0.336 CCCCOCCOCCCCCO 34a_100000210238_100000746330 [1,1,0,0,0,0|1,0,1]=4 8945 B13R0.336 CCCCOCCOCCCCCO 7a_100000210238_100000746330 [1,1,0,0,0,0|1,0,1]=4 8946 B13R0.336 CCCCOCCOCCOCC=O 34a_100011215186_200009817547 [1,1,0,0,0,0|2,0,0]=4 8947 B13R0.336 CCCCOCCOCCOCC=O 7a_100011215186_200015260668 [1,1,0,0,0,0|2,0,0]=4 8948 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [1,1,0,0,0,0|1,0,0]=3 8949 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [1,1,0,0,0,0|1,0,0]=3 8950 B13R0.336 CCCCOCCSCCCCCO 62a_100000743108_100000746330 [1,1,0,0,0,0|1,0,1]=4 8951 B13R0.336 CCCCOCCSCCCCCO 62a_100000746330_100000743108 [1,1,0,0,0,0|1,0,1]=4 8952 B13R0.336 CCCCOCNCCCCCCO 2230a_100000686447_100011995733 [1,1,0,0,0,0|1,0,1]=4 8953 B13R0.336 CCCCOCNCCCCCCO 34a_100000686447_100011995733 [1,1,0,0,0,0|1,0,1]=4 8954 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [1,1,0,0,0,0|1,0,0]=3 8955 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [1,1,0,0,0,0|1,0,0]=3 8956 B13R0.336 CCCCOCSCCCCCCO 62a_100000766143_100011995733 [1,1,0,0,0,0|1,0,1]=4 8957 B13R0.336 CCCCOCSCCCCCCO 62a_100011995733_100000766143 [1,1,0,0,0,0|1,0,1]=4 8958 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [1,1,0,0,0,0|0,0,1]=3 8959 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [1,1,0,0,0,0|0,0,1]=3 8960 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [1,1,0,0,0,0|1,0,0]=3 8961 B13R0.336 CCCCSCCNCCCCCO 2230a_100025743550_100000746330 [1,1,0,0,0,0|1,0,1]=4 8962 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [1,1,0,0,0,0|1,0,0]=3 8963 B13R0.336 CCCCSCCOCCCCCO 34a_200000230436_100000746330 [1,1,0,0,0,0|1,0,1]=4 8964 B13R0.336 CCCCSCCOCCCCCO 7a_200000230436_100000746330 [1,1,0,0,0,0|1,0,1]=4 8965 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [1,1,0,0,0,0|0,0,1]=3 8966 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [1,1,0,0,0,0|0,0,1]=3 8967 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [1,1,0,0,0,0|1,0,1]=4 8968 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [1,1,0,0,0,0|1,0,1]=4 8969 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [1,1,0,0,0,0|1,0,1]=4 8970 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [1,1,0,0,0,0|1,0,1]=4 8971 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [1,1,0,0,0,0|1,0,1]=4 8972 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [1,1,0,0,0,0|0,0,1]=3 8973 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [1,1,0,0,0,0|1,0,0]=3 8974 B13R0.336 CCCOCCCNCCCCCO 2230a_100011217757_100000746330 [1,1,0,0,0,0|1,0,1]=4 8975 B13R0.336 CCCOCCCNCCCCCO 34a_100011217757_100000746330 [1,1,0,0,0,0|1,0,1]=4 8976 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [1,1,0,0,0,0|1,0,0]=3 8977 B13R0.336 CCCOCCNCCCCCCO 2230a_100000686447_100011215938 [1,1,0,0,0,0|1,0,1]=4 8978 B13R0.336 CCCOCCNCCCCCCO 2230a_100161115042_100000766143 [1,1,0,0,0,0|1,0,1]=4 8979 B13R0.336 CCCOCCNCCCCCCO 34a_100000686447_100011215938 [1,1,0,0,0,0|1,0,1]=4 8980 B13R0.336 CCCOCCNCCCCCCO 34a_100161115042_100000766143 [1,1,0,0,0,0|1,0,1]=4 8981 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [1,1,0,0,0,0|1,0,0]=3 8982 B13R0.336 CCCOCCOCCCCCCO 34a_100000752267_100000766143 [1,1,0,0,0,0|1,0,1]=4 8983 B13R0.336 CCCOCCOCCCCCCO 7a_100000752267_100000766143 [1,1,0,0,0,0|1,0,1]=4 8984 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [1,1,0,0,0,0|1,0,0]=3 8985 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [1,1,0,0,0,0|1,0,0]=3 8986 B13R0.336 CCCOCCSCCCCCCO 62a_100000766143_100011215938 [1,1,0,0,0,0|1,0,1]=4 8987 B13R0.336 CCCOCCSCCCCCCO 62a_100011215938_100000766143 [1,1,0,0,0,0|1,0,1]=4 8988 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [1,1,0,0,0,0|0,0,1]=3 8989 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [1,1,0,0,0,0|0,0,1]=3 8990 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [1,1,0,0,0,0|1,0,0]=3 8991 B13R0.336 CCCSCCNCCCCCCO 2230a_100020603323_100000766143 [1,1,0,0,0,0|1,0,1]=4 8992 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [1,1,0,0,0,0|1,0,0]=3 8993 B13R0.336 CCCSCCOCCCCCCO 34a_200000230433_100000766143 [1,1,0,0,0,0|1,0,1]=4 8994 B13R0.336 CCCSCCOCCCCCCO 7a_200000230433_100000766143 [1,1,0,0,0,0|1,0,1]=4 8995 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [1,1,0,0,0,0|0,0,1]=3 8996 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [1,1,0,0,0,0|0,0,1]=3 8997 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [1,1,0,0,0,0|0,0,1]=3 8998 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [1,1,0,0,0,0|1,0,1]=4 8999 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [1,1,0,0,0,0|1,0,1]=4 9000 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [1,1,0,0,0,0|1,0,1]=4 9001 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [1,1,0,0,0,0|1,0,1]=4 9002 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [1,1,0,0,0,0|1,0,1]=4 9003 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [1,1,0,0,0,0|0,0,1]=3 9004 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [1,1,0,0,0,0|1,0,1]=4 9005 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [1,1,0,0,0,0|1,0,1]=4 9006 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [1,1,0,0,0,0|1,0,1]=4 9007 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [1,1,0,0,0,0|1,0,1]=4 9008 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [1,1,0,0,0,0|1,0,0]=3 9009 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [1,1,0,0,0,0|1,0,1]=4 9010 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [1,1,0,0,0,0|1,0,1]=4 9011 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [1,1,0,0,0,0|1,0,1]=4 9012 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [1,1,0,0,0,0|1,0,1]=4 9013 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [1,1,0,0,0,0|1,0,0]=3 9014 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [1,1,0,0,0,0|1,0,1]=4 9015 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [1,1,0,0,0,0|1,0,1]=4 9016 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [1,1,0,0,0,0|1,0,0]=3 9017 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [1,1,0,0,0,0|1,0,0]=3 9018 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [1,1,0,0,0,0|1,0,1]=4 9019 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [1,1,0,0,0,0|1,0,1]=4 9020 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [1,1,0,0,0,0|1,0,1]=4 9021 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [1,1,0,0,0,0|1,0,1]=4 9022 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [1,1,0,0,0,0|1,0,1]=4 9023 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [1,1,0,0,0,0|1,0,1]=4 9024 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [1,1,0,0,0,0|1,0,1]=4 9025 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [1,1,0,0,0,0|1,0,1]=4 9026 B13R0.336 CCOCCOCCNCCCC=O 2230a_100102712874_200011292268 [1,1,0,0,0,0|2,0,0]=4 9027 B13R0.336 CCOCCOCCOCCCC=O 7a_100000210240_200011292268 [1,1,0,0,0,0|2,0,0]=4 9028 B13R0.336 CCOCCOCCSCCCC=O 62a_100011211534_200011292268 [1,1,0,0,0,0|2,0,0]=4 9029 B13R0.336 CCOCCOCCSCCCC=O 62a_200011292268_100011211534 [1,1,0,0,0,0|2,0,0]=4 9030 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [1,1,0,0,0,0|1,0,1]=4 9031 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [1,1,0,0,0,0|1,0,1]=4 9032 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [1,1,0,0,0,0|1,0,1]=4 9033 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [1,1,0,0,0,0|1,0,1]=4 9034 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [1,1,0,0,0,0|0,0,1]=3 9035 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [1,1,0,0,0,0|0,0,1]=3 9036 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [1,1,0,0,0,0|1,0,0]=3 9037 B13R0.336 CCSCCCOCCCCCCO 34a_100011216438_100000766143 [1,1,0,0,0,0|1,0,1]=4 9038 B13R0.336 CCSCCCOCCCCCCO 7a_100011216438_100000766143 [1,1,0,0,0,0|1,0,1]=4 9039 B13R0.336 CCSCCNCCCCCCCO 2230a_100000106463_100000760002 [1,1,0,0,0,0|1,0,1]=4 9040 B13R0.336 CCSCCNCCCCCCCO 2230a_100011996573_100000757381 [1,1,0,0,0,0|1,0,1]=4 9041 B13R0.336 CCSCCNCCCCCCCO 34a_100011996573_100000757381 [1,1,0,0,0,0|1,0,1]=4 9042 B13R0.336 CCSCCOCCCCCCCO 34a_100000212035_100000760002 [1,1,0,0,0,0|1,0,1]=4 9043 B13R0.336 CCSCCOCCCCCCCO 7a_100000212035_100000760002 [1,1,0,0,0,0|1,0,1]=4 9044 B13R0.336 CCSCCSCCCCCCCO 62a_100000757381_100000760002 [1,1,0,0,0,0|1,0,1]=4 9045 B13R0.336 CCSCCSCCCCCCCO 62a_100000760002_100000757381 [1,1,0,0,0,0|1,0,1]=4 9046 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [1,1,0,0,0,0|0,0,1]=3 9047 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [1,1,0,0,0,0|0,0,1]=3 9048 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [1,1,0,0,0,0|0,0,1]=3 9049 B13R0.336 CNCCCCCOCCCCCO 34a_100000722520_100000746330 [1,1,0,0,0,0|1,0,1]=4 9050 B13R0.336 CNCCCOCCCCCCCO 34a_100000213112_100000760002 [1,1,0,0,0,0|1,0,1]=4 9051 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [1,1,0,0,0,0|1,0,1]=4 9052 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [1,1,0,0,0,0|1,0,1]=4 9053 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [1,1,0,0,0,0|0,0,1]=3 9054 B13R0.336 COCCCCCCNCCCCO 2230a_100000750430_100011998445 [1,1,0,0,0,0|1,0,1]=4 9055 B13R0.336 COCCCCCCNCCCCO 34a_100000750430_100011998445 [1,1,0,0,0,0|1,0,1]=4 9056 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [1,1,0,0,0,0|1,0,0]=3 9057 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [1,1,0,0,0,0|1,0,1]=4 9058 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [1,1,0,0,0,0|1,0,1]=4 9059 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [1,1,0,0,0,0|1,0,0]=3 9060 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [1,1,0,0,0,0|1,0,0]=3 9061 B13R0.336 COCCCCCCSCCCCO 62a_100000210776_100011998445 [1,1,0,0,0,0|1,0,1]=4 9062 B13R0.336 COCCCCCCSCCCCO 62a_100011998445_100000210776 [1,1,0,0,0,0|1,0,1]=4 9063 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [1,1,0,0,0,0|1,0,0]=3 9064 B13R0.336 COCCCCCNCCCCCO 2230a_100000747528_100000746330 [1,1,0,0,0,0|1,0,1]=4 9065 B13R0.336 COCCCCCNCCCCCO 34a_100000747528_100000746330 [1,1,0,0,0,0|1,0,1]=4 9066 B13R0.336 COCCCCNCCCCCCO 2230a_100000686447_100000730899 [1,1,0,0,0,0|1,0,1]=4 9067 B13R0.336 COCCCCNCCCCCCO 34a_100000686447_100000755781 [1,1,0,0,0,0|1,0,1]=4 9068 B13R0.336 COCCCCOCCCCCCO 34a_100000740925_100000766143 [1,1,0,0,0,0|1,0,1]=4 9069 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [1,1,0,0,0,0|1,0,0]=3 9070 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [1,1,0,0,0,0|1,0,0]=3 9071 B13R0.336 COCCCCSCCCCCCO 62a_100000730899_100000766143 [1,1,0,0,0,0|1,0,1]=4 9072 B13R0.336 COCCCCSCCCCCCO 62a_100000766143_100000730899 [1,1,0,0,0,0|1,0,1]=4 9073 B13R0.336 COCCCNCCCCCCCO 2230a_100011996573_100000740836 [1,1,0,0,0,0|1,0,1]=4 9074 B13R0.336 COCCCNCCCCCCCO 34a_100011996573_100000740836 [1,1,0,0,0,0|1,0,1]=4 9075 B13R0.336 COCCCNCCCCCCCO 34a_100150723488_100000760002 [1,1,0,0,0,0|1,0,1]=4 9076 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [1,1,0,0,0,0|1,0,1]=4 9077 B13R0.336 COCCCSCCCCCCCO 62a_100000709357_100000760002 [1,1,0,0,0,0|1,0,1]=4 9078 B13R0.336 COCCCSCCCCCCCO 62a_100000760002_100000709357 [1,1,0,0,0,0|1,0,1]=4 9079 B13R0.336 COCCNCCCCCCCCO 2230a_100000209980_100000033203 [1,1,0,0,0,0|1,0,1]=4 9080 B13R0.336 COCCNCCCCCCCCO 2230a_102515433106_100011201679 [1,1,0,0,0,0|1,0,1]=4 9081 B13R0.336 COCCNCCCCCCCCO 34a_102515433106_100011201679 [1,1,0,0,0,0|1,0,1]=4 9082 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [1,1,0,0,0,0|1,0,1]=4 9083 B13R0.336 COCCOCCCNCCCC=O 2230a_100000206027_200011292268 [1,1,0,0,0,0|2,0,0]=4 9084 B13R0.336 COCCOCCCSCCCC=O 62a_100011216529_200011292268 [1,1,0,0,0,0|2,0,0]=4 9085 B13R0.336 COCCOCCCSCCCC=O 62a_200011292268_100011216529 [1,1,0,0,0,0|2,0,0]=4 9086 B13R0.336 COCCOCCNCCCCC=O 2230a_100000745349_100000139335 [1,1,0,0,0,0|2,0,0]=4 9087 B13R0.336 COCCOCCOCCCCC=O 7a_100011215163_100000139335 [1,1,0,0,0,0|2,0,0]=4 9088 B13R0.336 COCCOCCSCCCCC=O 62a_100000139335_100000695917 [1,1,0,0,0,0|2,0,0]=4 9089 B13R0.336 COCCOCCSCCCCC=O 62a_100000695917_100000139335 [1,1,0,0,0,0|2,0,0]=4 9090 B13R0.336 COCCOCSCCCCCC=O 62a_100000139337_100000231047 [1,1,0,0,0,0|2,0,0]=4 9091 B13R0.336 COCCOCSCCCCCC=O 62a_100000231047_100000139337 [1,1,0,0,0,0|2,0,0]=4 9092 B13R0.336 COCCSCCCCCCCCO 62a_100000033203_100000233755 [1,1,0,0,0,0|1,0,1]=4 9093 B13R0.336 COCCSCCCCCCCCO 62a_100000233755_100000033203 [1,1,0,0,0,0|1,0,1]=4 9094 B13R0.336 COCNCCCCCCCCCO 2230a_100000078944_100000766300 [1,1,0,0,0,0|1,0,1]=4 9095 B13R0.336 COCSCCCCCCCCCO 62a_100000766300_100009813782 [1,1,0,0,0,0|1,0,1]=4 9096 B13R0.336 COCSCCCCCCCCCO 62a_100009813782_100000766300 [1,1,0,0,0,0|1,0,1]=4 9097 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [1,1,0,0,0,0|0,0,1]=3 9098 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [1,1,0,0,0,0|1,0,0]=3 9099 B13R0.336 CSCCCCOCCCCCCO 34a_100011217163_100000766143 [1,1,0,0,0,0|1,0,1]=4 9100 B13R0.336 CSCCCCOCCCCCCO 7a_100011217163_100000766143 [1,1,0,0,0,0|1,0,1]=4 9101 B13R0.336 CSCCCNCCCCCCCO 2230a_100000749238_100000760002 [1,1,0,0,0,0|1,0,1]=4 9102 B13R0.336 CSCCCOCCCCCCCO 34a_100000690336_100000760002 [1,1,0,0,0,0|1,0,1]=4 9103 B13R0.336 CSCCCOCCCCCCCO 7a_100000690336_100000760002 [1,1,0,0,0,0|1,0,1]=4 9104 B13R0.336 CSCCNCCCCCCCCO 2230a_100020590264_100000033203 [1,1,0,0,0,0|1,0,1]=4 9105 B13R0.336 CSCCNCCCCCCCCO 2230a_102515433106_100000751147 [1,1,0,0,0,0|1,0,1]=4 9106 B13R0.336 CSCCNCCCCCCCCO 34a_102515433106_100000212216 [1,1,0,0,0,0|1,0,1]=4 9107 B13R0.336 CSCCOCCCCCCCCO 34a_100000230434_100000033203 [1,1,0,0,0,0|1,0,1]=4 9108 B13R0.336 CSCCOCCCCCCCCO 7a_100000230434_100000033203 [1,1,0,0,0,0|1,0,1]=4 9109 B13R0.336 CSCCSCCCCCCCCO 62a_100000033203_100000751147 [1,1,0,0,0,0|1,0,1]=4 9110 B13R0.336 CSCCSCCCCCCCCO 62a_100000212216_100000033203 [1,1,0,0,0,0|1,0,1]=4 9111 B13R0.336 CSCNCCCCCCCCCO 2230a_100000078944_100011218213 [1,1,0,0,0,0|1,0,1]=4 9112 B13R0.336 CSCNCCCCCCCCCO 34a_100000078944_100011218213 [1,1,0,0,0,0|1,0,1]=4 9113 B13R0.336 CSCSCCCCCCCCCO 62a_100009813782_100011218213 [1,1,0,0,0,0|1,0,1]=4 9114 B13R0.336 CSCSCCCCCCCCCO 62a_100011218213_100009813782 [1,1,0,0,0,0|1,0,1]=4 9115 B13R0.336 N#CCCCCCCSCCCC=O 62a_100009813337_200011292268 [1,1,0,0,0,0|1,0,1]=4 9116 B13R0.336 N#CCCCCCCSCCCC=O 62a_200011292268_100009813337 [1,1,0,0,0,0|1,0,1]=4 9117 B13R0.336 N#CCCCCCSCCCCC=O 62a_100000139335_100009813376 [1,1,0,0,0,0|1,0,1]=4 9118 B13R0.336 N#CCCCCCSCCCCC=O 62a_100009813376_100000139335 [1,1,0,0,0,0|1,0,1]=4 9119 B13R0.336 N#CCCCCSCCCCCC=O 62a_100000139337_100000211819 [1,1,0,0,0,0|1,0,1]=4 9120 B13R0.336 N#CCCCCSCCCCCC=O 62a_100011219923_100000139337 [1,1,0,0,0,0|1,0,1]=4 9121 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [1,1,0,0,0,0|1,0,0]=3 9122 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [1,1,0,0,0,0|1,0,1]=4 9123 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [1,1,0,0,0,0|1,0,1]=4 9124 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [1,1,0,0,0,0|1,0,1]=4 9125 B13R0.336 NCCCCCCOCCCCCO 34a_100000686447_100000746330 [1,1,0,0,0,0|1,0,1]=4 9126 B13R0.336 NCCCCCOCCCCCCO 34a_100000762737_100000766143 [1,1,0,0,0,0|1,0,1]=4 9127 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [1,1,0,0,0,0|1,0,1]=4 9128 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [1,1,0,0,0,0|1,0,1]=4 9129 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [1,1,0,0,0,0|1,0,1]=4 9130 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [1,1,0,0,0,0|1,0,0]=3 9131 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [1,1,0,0,0,0|2,0,0]=4 9132 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [1,1,0,0,0,0|2,0,0]=4 9133 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [1,1,0,0,0,0|1,0,0]=3 9134 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [1,1,0,0,0,0|1,0,0]=3 9135 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [1,1,0,0,0,0|1,0,0]=3 9136 B13R0.336 O=CCCCCCOCCOCCBr 7a_100000692535_100000139337 [1,1,0,0,0,0|2,0,0]=4 9137 B13R0.336 O=CCCCCCOCCOCCCl 7a_100011215305_100000139337 [1,1,0,0,0,0|2,0,0]=4 9138 B13R0.336 O=CCCCCCOCCOCCF 7a_200015357709_100000139337 [1,1,0,0,0,0|2,0,0]=4 9139 B13R0.336 O=CCCCCCOCCOCCI 7a_100012149058_100000139337 [1,1,0,0,0,0|2,0,0]=4 9140 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139335_100000139337 [1,1,0,0,0,0|1,0,1]=4 9141 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139337_100000139335 [1,1,0,0,0,0|1,0,1]=4 9142 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [1,1,0,0,0,0|1,0,0]=3 9143 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [1,1,0,0,0,0|1,0,0]=3 9144 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [1,1,0,0,0,0|1,0,0]=3 9145 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [1,1,0,0,0,0|1,0,0]=3 9146 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [1,1,0,0,0,0|2,0,0]=4 9147 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [1,1,0,0,0,0|2,0,0]=4 9148 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [1,1,0,0,0,0|1,0,0]=3 9149 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [1,1,0,0,0,0|1,0,0]=3 9150 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [1,1,0,0,0,0|1,0,0]=3 9151 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [1,1,0,0,0,0|1,0,0]=3 9152 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [1,1,0,0,0,0|1,0,0]=3 9153 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [1,1,0,0,0,0|1,0,0]=3 9154 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [1,1,0,0,0,0|1,0,0]=3 9155 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [1,1,0,0,0,0|1,0,0]=3 9156 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [1,1,0,0,0,0|1,0,0]=3 9157 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [1,1,0,0,0,0|2,0,0]=4 9158 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [1,1,0,0,0,0|1,0,0]=3 9159 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [1,1,0,0,0,0|1,0,0]=3 9160 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [1,1,0,0,0,0|1,0,0]=3 9161 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [1,1,0,0,0,0|1,0,0]=3 9162 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [1,1,0,0,0,0|1,0,0]=3 9163 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [1,1,0,0,0,0|1,0,0]=3 9164 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [1,1,0,0,0,0|1,0,0]=3 9165 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [1,1,0,0,0,0|1,0,0]=3 9166 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [1,1,0,0,0,0|1,0,0]=3 9167 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [1,1,0,0,0,0|1,0,0]=3 9168 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [1,1,0,0,0,0|1,0,0]=3 9169 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [1,1,0,0,0,0|1,0,1]=4 9170 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [1,1,0,0,0,0|1,0,1]=4 9171 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [1,1,0,0,0,0|1,0,1]=4 9172 B13R0.336 OCCCCCCCCCNCCF 2230a_100000078944_100011217306 [1,1,0,0,0,0|1,0,1]=4 9173 B13R0.336 OCCCCCCCCCNCCF 34a_100000078944_100011217306 [1,1,0,0,0,0|1,0,1]=4 9174 B13R0.336 OCCCCCCCCCNCCF 34a_100000724931_100009813782 [1,1,0,0,0,0|1,0,1]=4 9175 B13R0.336 OCCCCCCCCCNCCO 2230a_100000078944_100000211926 [1,1,0,0,0,0|1,0,1]=4 9176 B13R0.336 OCCCCCCCCCNCCO 2230a_100016997473_100009813782 [1,1,0,0,0,0|1,0,1]=4 9177 B13R0.336 OCCCCCCCCCNCCO 34a_100000078944_100000211926 [1,1,0,0,0,0|1,0,1]=4 9178 B13R0.336 OCCCCCCCCCNCCO 34a_100016990907_100009813782 [1,1,0,0,0,0|1,0,1]=4 9179 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [1,1,0,0,0,0|1,0,1]=4 9180 B13R0.336 OCCCCCCCCCSCCF 62a_100009813782_100011217306 [1,1,0,0,0,0|1,0,1]=4 9181 B13R0.336 OCCCCCCCCCSCCF 62a_100011217306_100009813782 [1,1,0,0,0,0|1,0,1]=4 9182 B13R0.336 OCCCCCCCCCSCCO 62a_100000211926_100009813782 [1,1,0,0,0,0|1,0,1]=4 9183 B13R0.336 OCCCCCCCCCSCCO 62a_100009813782_100000211926 [1,1,0,0,0,0|1,0,1]=4 9184 B13R0.336 OCCCCCCCCNCCCF 2230a_100015189416_100000033203 [1,1,0,0,0,0|1,0,1]=4 9185 B13R0.336 OCCCCCCCCNCCCF 2230a_102515433106_100011934791 [1,1,0,0,0,0|1,0,1]=4 9186 B13R0.336 OCCCCCCCCNCCCF 34a_100015189416_100000033203 [1,1,0,0,0,0|1,0,1]=4 9187 B13R0.336 OCCCCCCCCNCCCF 34a_102515433106_100011934791 [1,1,0,0,0,0|1,0,1]=4 9188 B13R0.336 OCCCCCCCCNCCCO 2230a_102515433106_100000230001 [1,1,0,0,0,0|1,0,1]=4 9189 B13R0.336 OCCCCCCCCNCCCO 34a_102515433106_100000230001 [1,1,0,0,0,0|1,0,1]=4 9190 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [1,1,0,0,0,0|1,0,1]=4 9191 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [1,1,0,0,0,0|1,0,1]=4 9192 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [1,1,0,0,0,0|1,0,1]=4 9193 B13R0.336 OCCCCCCCCSCCCF 62a_100000033203_100011934791 [1,1,0,0,0,0|1,0,1]=4 9194 B13R0.336 OCCCCCCCCSCCCF 62a_100011934791_100000033203 [1,1,0,0,0,0|1,0,1]=4 9195 B13R0.336 OCCCCCCCCSCCCO 62a_100000033203_100011215043 [1,1,0,0,0,0|1,0,1]=4 9196 B13R0.336 OCCCCCCCCSCCCO 62a_100011215043_100000033203 [1,1,0,0,0,0|1,0,1]=4 9197 B13R0.336 OCCCCCCCNCCCCF 2230a_100011996573_100000729493 [1,1,0,0,0,0|1,0,1]=4 9198 B13R0.336 OCCCCCCCNCCCCF 34a_100011996573_100000729493 [1,1,0,0,0,0|1,0,1]=4 9199 B13R0.336 OCCCCCCCNCCCCO 2230a_100000750430_100000760002 [1,1,0,0,0,0|1,0,1]=4 9200 B13R0.336 OCCCCCCCNCCCCO 2230a_100011996573_100000210776 [1,1,0,0,0,0|1,0,1]=4 9201 B13R0.336 OCCCCCCCNCCCCO 34a_100000750430_100000760002 [1,1,0,0,0,0|1,0,1]=4 9202 B13R0.336 OCCCCCCCNCCCCO 34a_100011996573_100011216708 [1,1,0,0,0,0|1,0,1]=4 9203 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [1,1,0,0,0,0|1,0,1]=4 9204 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [1,1,0,0,0,0|1,0,1]=4 9205 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [1,1,0,0,0,0|1,0,1]=4 9206 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [1,1,0,0,0,0|1,0,1]=4 9207 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [1,1,0,0,0,0|1,0,1]=4 9208 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [1,1,0,0,0,0|1,0,1]=4 9209 B13R0.336 OCCCCCCCSCCCCF 62a_100000729493_100000760002 [1,1,0,0,0,0|1,0,1]=4 9210 B13R0.336 OCCCCCCCSCCCCF 62a_100000760002_100000729493 [1,1,0,0,0,0|1,0,1]=4 9211 B13R0.336 OCCCCCCCSCCCCO 62a_100000210776_100000760002 [1,1,0,0,0,0|1,0,1]=4 9212 B13R0.336 OCCCCCCCSCCCCO 62a_100000760002_100000210776 [1,1,0,0,0,0|1,0,1]=4 9213 B13R0.336 OCCCCCCNCCCCCF 2230a_100000686447_100000729378 [1,1,0,0,0,0|1,0,1]=4 9214 B13R0.336 OCCCCCCNCCCCCF 34a_100000686447_100000729378 [1,1,0,0,0,0|1,0,1]=4 9215 B13R0.336 OCCCCCCNCCCCCO 2230a_100000686447_100000746330 [1,1,0,0,0,0|1,0,1]=4 9216 B13R0.336 OCCCCCCNCCCCCO 2230a_100000762737_100000766143 [1,1,0,0,0,0|1,0,1]=4 9217 B13R0.336 OCCCCCCNCCCCCO 34a_100000686447_100000746330 [1,1,0,0,0,0|1,0,1]=4 9218 B13R0.336 OCCCCCCNCCCCCO 34a_100000762737_100000766143 [1,1,0,0,0,0|1,0,1]=4 9219 B13R0.336 OCCCCCCOCCCCCBr 34a_100000746331_100000766143 [1,1,0,0,0,0|1,0,1]=4 9220 B13R0.336 OCCCCCCOCCCCCBr 7a_100000746331_100000766143 [1,1,0,0,0,0|1,0,1]=4 9221 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [1,1,0,0,0,0|1,0,1]=4 9222 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [1,1,0,0,0,0|1,0,1]=4 9223 B13R0.336 OCCCCCCOCCCCCI 34a_200012148887_100000766143 [1,1,0,0,0,0|1,0,1]=4 9224 B13R0.336 OCCCCCCOCCCCCI 7a_200012148887_100000766143 [1,1,0,0,0,0|1,0,1]=4 9225 B13R0.336 OCCCCCCSCCCCCF 62a_100000729378_100000766143 [1,1,0,0,0,0|1,0,1]=4 9226 B13R0.336 OCCCCCCSCCCCCF 62a_100000766143_100000729378 [1,1,0,0,0,0|1,0,1]=4 9227 B13R0.336 OCCCCCCSCCCCCO 62a_100000746330_100000766143 [1,1,0,0,0,0|1,0,1]=4 9228 B13R0.336 OCCCCCCSCCCCCO 62a_100000766143_100000746330 [1,1,0,0,0,0|1,0,1]=4 9229 B13R0.336 OCCCCCNCCCCCCF 2230a_100000762737_100015922095 [1,1,0,0,0,0|1,0,1]=4 9230 B13R0.336 OCCCCCNCCCCCCF 34a_100000762737_100015922095 [1,1,0,0,0,0|1,0,1]=4 9231 B13R0.336 OCCCCCOCCCCCCBr 34a_100011215345_100000746330 [1,1,0,0,0,0|1,0,1]=4 9232 B13R0.336 OCCCCCOCCCCCCBr 7a_100011215345_100000746330 [1,1,0,0,0,0|1,0,1]=4 9233 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [1,1,0,0,0,0|1,0,1]=4 9234 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [1,1,0,0,0,0|1,0,1]=4 9235 B13R0.336 OCCCCCOCCCCCCF 34a_100000732779_100000746330 [1,1,0,0,0,0|1,0,1]=4 9236 B13R0.336 OCCCCCOCCCCCCF 7a_100000732779_100000746330 [1,1,0,0,0,0|1,0,1]=4 9237 B13R0.336 OCCCCCSCCCCCCF 62a_100000746330_100015922095 [1,1,0,0,0,0|1,0,1]=4 9238 B13R0.336 OCCCCCSCCCCCCF 62a_100015922095_100000746330 [1,1,0,0,0,0|1,0,1]=4 9239 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [1,1,0,0,0,0|1,0,1]=4 9240 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [1,1,0,0,0,0|1,0,1]=4 9241 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [1,1,0,0,0,0|1,0,1]=4 9242 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [1,1,0,0,0,0|1,0,1]=4 9243 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [1,1,0,0,0,0|1,0,1]=4 9244 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [1,1,0,0,0,0|1,0,1]=4 9245 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [1,1,0,0,0,0|1,0,1]=4 9246 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [1,1,0,0,0,0|1,0,1]=4 9247 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [1,1,0,0,0,0|1,0,1]=4 9248 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [1,1,0,0,0,0|1,0,1]=4 9249 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [1,1,0,0,0,0|1,0,1]=4 9250 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [1,1,0,0,0,0|1,0,1]=4 9251 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [1,1,0,0,0,0|0,0,1]=3 9252 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [1,1,0,0,0,0|1,0,1]=4 9253 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [1,1,0,0,0,0|1,0,1]=4 9254 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100000212188_100000700193 [1,1,0,0,0,0|1,0,1]=4 9255 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100011934241_100000210326 [1,1,0,0,0,0|1,0,1]=4 9256 B13R0.338 C=CCCCCCN(C)CCCCC 2230a_100000223495_100000700193 [1,1,0,0,0,0|2,0,0]=4 9257 B13R0.338 C=CCCCCCN(C)CCCCC 269982a_100000223495_100000700193 [1,1,0,0,0,0|2,0,0]=4 9258 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000211957_100011215482 [1,1,0,0,0,0|2,0,0]=4 9259 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000703577_200011218191 [1,1,0,0,0,0|2,0,0]=4 9260 B13R0.338 C=CCCCCNC(C)CCCCC 270004a_100000703577_100000211708 [1,1,0,0,0,0|2,0,0]=4 9261 B13R0.338 C=CCCCCNC(C)CCCCC 34a_100000703577_200011218191 [1,1,0,0,0,0|2,0,0]=4 9262 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100000766645_200011218191 [1,1,0,0,0,0|2,0,0]=4 9263 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100011215632_100011215482 [1,1,0,0,0,0|2,0,0]=4 9264 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100000766645_200011218191 [1,1,0,0,0,0|2,0,0]=4 9265 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100011215632_100011215482 [1,1,0,0,0,0|2,0,0]=4 9266 B13R0.338 C=CCCCN(C)CCCCCCC 2230a_100000228206_100011713584 [1,1,0,0,0,0|2,0,0]=4 9267 B13R0.338 C=CCCCN(C)CCCCCCC 269982a_100000228206_100000757094 [1,1,0,0,0,0|2,0,0]=4 9268 B13R0.338 C=CCCNC(C)CCCCCCC 2230a_100015191253_200011218727 [1,1,0,0,0,0|2,0,0]=4 9269 B13R0.338 C=CCCNC(C)CCCCCCC 270004a_100015191253_100000210596 [1,1,0,0,0,0|2,0,0]=4 9270 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [1,1,0,0,0,0|2,0,0]=4 9271 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [1,1,0,0,0,0|2,0,0]=4 9272 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [1,1,0,0,0,0|2,0,0]=4 9273 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100000212188_100000766143 [1,1,0,0,0,0|0,0,2]=4 9274 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100011996774_100000210326 [1,1,0,0,0,0|0,0,2]=4 9275 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200011292268_200012276598 [1,1,0,0,0,0|1,0,1]=4 9276 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200012276598_200011292268 [1,1,0,0,0,0|1,0,1]=4 9277 B13R0.338 CCCCCC(C)NCCCCC=O 2230a_100000211957_100000139335 [1,1,0,0,0,0|1,0,0]=3 9278 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000211957_100000746330 [1,1,0,0,0,0|1,0,1]=4 9279 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000762737_200011218191 [1,1,0,0,0,0|1,0,1]=4 9280 B13R0.338 CCCCCC(C)NCCCCCO 270004a_100000762737_100000211708 [1,1,0,0,0,0|1,0,1]=4 9281 B13R0.338 CCCCCC(C)NCCCCCO 34a_100000762737_200011218191 [1,1,0,0,0,0|1,0,1]=4 9282 B13R0.338 CCCCCC(C)OCCCCC=O 7a_100011215632_100000139335 [1,1,0,0,0,0|1,0,0]=3 9283 B13R0.338 CCCCCC(C)OCCCCCO 34a_100011215632_100000746330 [1,1,0,0,0,0|1,0,1]=4 9284 B13R0.338 CCCCCC(C)OCCCCCO 7a_100011215632_100000746330 [1,1,0,0,0,0|1,0,1]=4 9285 B13R0.338 CCCCCC(C)SCCCCC=O 62a_100000139335_200011218191 [1,1,0,0,0,0|1,0,0]=3 9286 B13R0.338 CCCCCC(C)SCCCCC=O 62a_200011218191_100000139335 [1,1,0,0,0,0|1,0,0]=3 9287 B13R0.338 CCCCCC(C)SCCCCCO 62a_100000746330_200011218191 [1,1,0,0,0,0|1,0,1]=4 9288 B13R0.338 CCCCCC(C)SCCCCCO 62a_200011218191_100000746330 [1,1,0,0,0,0|1,0,1]=4 9289 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000211969_100000210776 [1,1,0,0,0,0|0,0,2]=4 9290 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000695505_100000210614 [1,1,0,0,0,0|0,0,2]=4 9291 B13R0.338 CCCCCCCC(C)NCCCO 270004a_100000182051_100000210596 [1,1,0,0,0,0|1,0,1]=4 9292 B13R0.338 CCCCCCCC(C)OCCCO 34a_200011215852_100000230001 [1,1,0,0,0,0|1,0,1]=4 9293 B13R0.338 CCCCCCCC(C)OCCCO 7a_200011215852_100011215043 [1,1,0,0,0,0|1,0,1]=4 9294 B13R0.338 CCCCCCCC(C)SCCCO 62a_100011215043_200011218727 [1,1,0,0,0,0|1,0,1]=4 9295 B13R0.338 CCCCCCCC(C)SCCCO 62a_200011218727_100011215043 [1,1,0,0,0,0|1,0,1]=4 9296 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [1,1,0,0,0,0|1,0,0]=3 9297 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [1,1,0,0,0,0|1,0,0]=3 9298 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000228206_100000210776 [1,1,0,0,0,0|1,0,1]=4 9299 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000717598_100000210681 [1,1,0,0,0,0|1,0,1]=4 9300 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000228206_100000210776 [1,1,0,0,0,0|1,0,1]=4 9301 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000717598_100000210681 [1,1,0,0,0,0|1,0,1]=4 9302 B13R0.338 CCCCCN(C)CCCCCC=O 2230a_100000223495_100000139337 [1,1,0,0,0,0|1,0,0]=3 9303 B13R0.338 CCCCCN(C)CCCCCC=O 269982a_100000223495_100000139337 [1,1,0,0,0,0|1,0,0]=3 9304 B13R0.338 CCCCCN(C)CCCCCCO 2230a_100000223495_100000766143 [1,1,0,0,0,0|1,0,1]=4 9305 B13R0.338 CCCCCN(C)CCCCCCO 269982a_100000223495_100000766143 [1,1,0,0,0,0|1,0,1]=4 9306 B13R0.338 CN(CCCCO)CCCCCC=O 2230a_100000717598_100000139337 [1,1,0,0,0,0|2,0,0]=4 9307 B13R0.338 CN(CCCCO)CCCCCC=O 269982a_100000717598_100000139337 [1,1,0,0,0,0|2,0,0]=4 9308 B13R0.338 COCCCC(C)OCCCCC=O 7a_200011539412_100000139335 [1,1,0,0,0,0|2,0,0]=4 9309 B13R0.338 COCCCN(C)CCCCCC=O 2230a_100000224831_100000139337 [1,1,0,0,0,0|2,0,0]=4 9310 B13R0.338 COCCCN(C)CCCCCC=O 269982a_100000224831_100000139337 [1,1,0,0,0,0|2,0,0]=4 9311 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [1,1,0,0,0,0|1,0,1]=4 9312 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [1,1,0,0,0,0|1,0,1]=4 9313 B13R0.1 CCCCCCC(C)NCCC(=O)N 2230a_100000210919_100000744528 [1,1,0,0,0,0|2,0,0]=4 9314 B13R0.1 CCCCCCC(C)NCCC(=O)N 34a_100000210919_100000731001 [1,1,0,0,0,0|2,0,0]=4 9315 B13R0.1 CCCCCCC(C)NOCC(=O)O 269956a_100000106656_100011215978 [1,1,0,0,0,0|2,0,0]=4 9316 B13R0.1 CCCCCCC(C)OCCC(=O)C 34a_100000759926_100011215978 [1,1,0,0,0,0|2,0,0]=4 9317 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000210265_100000053229 [1,1,0,0,0,0|2,0,0]=4 9318 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000759926_100011215978 [1,1,0,0,0,0|2,0,0]=4 9319 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000210265_100000731001 [1,1,0,0,0,0|2,0,0]=4 9320 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000757172_100011215978 [1,1,0,0,0,0|2,0,0]=4 9321 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000210265_100000744528 [1,1,0,0,0,0|2,0,0]=4 9322 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000757172_100011215978 [1,1,0,0,0,0|2,0,0]=4 9323 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100000053229_100011215978 [1,1,0,0,0,0|2,0,0]=4 9324 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100011215978_100000053229 [1,1,0,0,0,0|2,0,0]=4 9325 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100000744528_100011215978 [1,1,0,0,0,0|2,0,0]=4 9326 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100011215978_100000744528 [1,1,0,0,0,0|2,0,0]=4 9327 B13R0.1 CCCCCCN(C)CCCC(=O)C 269982a_106256046315_100011215641 [1,1,0,0,0,0|2,0,0]=4 9328 B13R0.1 CCCCCCN(C)CCCC(=O)N 269982a_106256046315_100102525003 [1,1,0,0,0,0|2,0,0]=4 9329 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [1,1,0,0,0,0|1,0,0]=3 9330 B13R0.1 CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210326 [1,1,0,0,0,0|1,0,1]=4 9331 B13R0.1 CCCCOCN(C)CCCC(=O)O 269956a_100000719178_100011995733 [1,1,0,0,0,0|2,0,0]=4 9332 B13R0.1 CCCOCCN(C)CCCC(=O)O 269956a_100000719178_100011215938 [1,1,0,0,0,0|2,0,0]=4 9333 B13R0.1 CCOCCCN(C)CCCC(=O)O 269956a_100000719178_100012232248 [1,1,0,0,0,0|2,0,0]=4 9334 B13R0.1 CN(CCCCCF)CCCC(=O)O 269956a_100000719178_100000729378 [1,1,0,0,0,0|2,0,0]=4 9335 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [1,1,0,0,0,0|2,0,0]=4 9336 B13R0.1 COCCCCN(C)CCCC(=O)O 269956a_100000719178_100000730899 [1,1,0,0,0,0|2,0,0]=4 9337 B13R0.88 CCCC(C)CCCOCCC(=O)C 7a_100011713154_100000053229 [1,1,0,0,0,0|2,0,0]=4 9338 B13R0.88 CCCC(C)CCCOCCC(=O)N 34a_100011713154_100000731001 [1,1,0,0,0,0|2,0,0]=4 9339 B13R0.88 CCCC(C)CCCOCCC(=O)N 7a_100011713154_100000744528 [1,1,0,0,0,0|2,0,0]=4 9340 B13R0.88 CCCC(C)CCOCCCC(=O)C 34a_100011217855_100000685027 [1,1,0,0,0,0|2,0,0]=4 9341 B13R0.88 CCCC(C)CCOCCCC(=O)C 7a_100011217855_100011215641 [1,1,0,0,0,0|2,0,0]=4 9342 B13R0.88 CCCC(C)CCOCCCC(=O)N 34a_100011217855_100102525003 [1,1,0,0,0,0|2,0,0]=4 9343 B13R0.88 CCCC(C)CCOCCCC(=O)N 7a_100011217855_100102525003 [1,1,0,0,0,0|2,0,0]=4 9344 B13R0.88 CCCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243154 [1,1,0,0,0,0|2,0,0]=4 9345 B13R0.88 CCCC(C)CNCCCCC(=O)N 34a_100000696515_100011216630 [1,1,0,0,0,0|2,0,0]=4 9346 B13R0.88 CCCC(C)CNCCOCC(=O)O 269956a_100000700818_100011216630 [1,1,0,0,0,0|2,0,0]=4 9347 B13R0.88 CCCC(C)COCCCCC(=O)C 34a_100000688023_100009817362 [1,1,0,0,0,0|2,0,0]=4 9348 B13R0.88 CCCC(C)COCCCCC(=O)C 7a_100000688023_100000735457 [1,1,0,0,0,0|2,0,0]=4 9349 B13R0.88 CCCC(C)COCCCCC(=O)N 34a_100012022536_100011216630 [1,1,0,0,0,0|2,0,0]=4 9350 B13R0.88 CCCC(C)COCCCCC(=O)N 7a_100012022536_100011216630 [1,1,0,0,0,0|2,0,0]=4 9351 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100000735457_100011216630 [1,1,0,0,0,0|2,0,0]=4 9352 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100011216630_100000735457 [1,1,0,0,0,0|2,0,0]=4 9353 B13R0.88 CCCC(C)NCCCCCC(=O)N 2230a_100000741246_100009817443 [1,1,0,0,0,0|2,0,0]=4 9354 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000123541_100000766640 [1,1,0,0,0,0|2,0,0]=4 9355 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000764384_100009817443 [1,1,0,0,0,0|2,0,0]=4 9356 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000123541_100000766640 [1,1,0,0,0,0|2,0,0]=4 9357 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000764384_100009817443 [1,1,0,0,0,0|2,0,0]=4 9358 B13R0.88 CCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000766640 [1,1,0,0,0,0|1,0,1]=4 9359 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100000766640_100009817443 [1,1,0,0,0,0|2,0,0]=4 9360 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100009817443_100000766640 [1,1,0,0,0,0|2,0,0]=4 9361 B13R0.88 CCC[C@H](N)CCOCCCC(=O)C 34a_100015193777_100000685027 [1,1,0,0,0,0|2,0,0]=4 9362 B13R0.88 CCC[C@H](N)CCOCCCC(=O)N 34a_100015193777_100102525003 [1,1,0,0,0,0|2,0,0]=4 9363 B13R0.88 CCC[C@H](N)COCCCCC(=O)C 34a_100000732646_100009817362 [1,1,0,0,0,0|2,0,0]=4 9364 B13R0.119 CCCCC(=O)CCCCCC(=O)N 1458a_100000210183_100009817443 [1,1,0,0,0,0|1,0,1]=4 9365 B13R0.119 CCCCC(C)COCCCC(=O)C 34a_100011995851_100000685027 [1,1,0,0,0,0|2,0,0]=4 9366 B13R0.119 CCCCC(C)COCCCC(=O)C 7a_100011995851_100011215641 [1,1,0,0,0,0|2,0,0]=4 9367 B13R0.119 CCCCC(C)COCCCC(=O)N 34a_100011995851_100102525003 [1,1,0,0,0,0|2,0,0]=4 9368 B13R0.119 CCCCC(C)COCCCC(=O)N 7a_100011995851_100102525003 [1,1,0,0,0,0|2,0,0]=4 9369 B13R0.119 CCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210087 [1,1,0,0,0,0|2,0,0]=4 9370 B13R0.119 CCCCC(C)NCCCCC(=O)N 34a_100000696515_200011215066 [1,1,0,0,0,0|2,0,0]=4 9371 B13R0.119 CCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011215066 [1,1,0,0,0,0|2,0,0]=4 9372 B13R0.119 CCCCC(C)OCCCCC(=O)C 34a_100000687866_100009817362 [1,1,0,0,0,0|2,0,0]=4 9373 B13R0.119 CCCCC(C)OCCCCC(=O)C 7a_100000687866_100000735457 [1,1,0,0,0,0|2,0,0]=4 9374 B13R0.119 CCCCC(C)OCCCCC(=O)N 34a_100012022536_200011215066 [1,1,0,0,0,0|2,0,0]=4 9375 B13R0.119 CCCCC(C)OCCCCC(=O)N 7a_100012022536_200011215066 [1,1,0,0,0,0|2,0,0]=4 9376 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_100000735457_200011215066 [1,1,0,0,0,0|2,0,0]=4 9377 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_200011215066_100000735457 [1,1,0,0,0,0|2,0,0]=4 9378 B13R0.119 CCCCN(C)CCCCCC(=O)N 2230a_100000207549_100009817443 [1,1,0,0,0,0|2,0,0]=4 9379 B13R0.119 CCCCN(C)CCCCCC(=O)N 269982a_100000207549_100009817443 [1,1,0,0,0,0|2,0,0]=4 9380 B13R0.119 CCCC[C@H](N)COCCCC(=O)C 34a_100011934283_100000685027 [1,1,0,0,0,0|2,0,0]=4 9381 B13R0.119 CCCC[C@H](N)COCCCC(=O)N 34a_100011934283_100102525003 [1,1,0,0,0,0|2,0,0]=4 9382 B13R0.150 CC(CNCCCCCCF)C(=O)O 269956a_100000749485_100015922095 [1,1,0,0,0,0|2,0,0]=4 9383 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [1,1,0,0,0,0|2,0,0]=4 9384 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [1,1,0,0,0,0|2,0,0]=4 9385 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [1,1,0,0,0,0|2,0,0]=4 9386 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [1,1,0,0,0,0|2,0,0]=4 9387 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [1,1,0,0,0,0|2,0,0]=4 9388 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [1,1,0,0,0,0|2,0,0]=4 9389 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [1,1,0,0,0,0|2,0,0]=4 9390 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [1,1,0,0,0,0|2,0,0]=4 9391 B13R0.150 CCCCCCCCNC(F)C(=O)N 2230a_100000229939_100009813875 [1,1,0,0,0,0|2,0,0]=4 9392 B13R0.150 CCCCCCCCNC(F)C(=O)N 34a_100000229939_100009813875 [1,1,0,0,0,0|2,0,0]=4 9393 B13R0.150 CCCCCCCCNC(F)C(=O)[O-] 34a_100000229939_100020610796 [1,1,0,0,0,0|1,0,1]=4 9394 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [1,1,0,0,0,0|1,0,0]=3 9395 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [1,1,0,0,0,0|2,0,0]=4 9396 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [1,1,0,0,0,0|2,0,0]=4 9397 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [1,1,0,0,0,0|2,0,0]=4 9398 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [1,1,0,0,0,0|2,0,0]=4 9399 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [1,1,0,0,0,0|2,0,0]=4 9400 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [1,1,0,0,0,0|2,0,0]=4 9401 B13R0.150 CCCCCCCCOC(F)C(=O)N 34a_100000210232_100009813875 [1,1,0,0,0,0|2,0,0]=4 9402 B13R0.150 CCCCCCCCOC(F)C(=O)N 7a_100000210232_100009813875 [1,1,0,0,0,0|2,0,0]=4 9403 B13R0.150 CCCCCCCCOC(F)C(=O)[O-] 34a_100000210232_100020610796 [1,1,0,0,0,0|1,0,1]=4 9404 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [1,1,0,0,0,0|1,0,1]=4 9405 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [1,1,0,0,0,0|2,0,0]=4 9406 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [1,1,0,0,0,0|2,0,0]=4 9407 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [1,1,0,0,0,0|2,0,0]=4 9408 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [1,1,0,0,0,0|2,0,0]=4 9409 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [1,1,0,0,0,0|2,0,0]=4 9410 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [1,1,0,0,0,0|2,0,0]=4 9411 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100000210759_100009813875 [1,1,0,0,0,0|2,0,0]=4 9412 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210317 [1,1,0,0,0,0|2,0,0]=4 9413 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100000210759_100020610796 [1,1,0,0,0,0|1,0,1]=4 9414 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210317 [1,1,0,0,0,0|1,0,1]=4 9415 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [1,1,0,0,0,0|1,0,0]=3 9416 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [1,1,0,0,0,0|1,0,0]=3 9417 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [1,1,0,0,0,0|2,0,0]=4 9418 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [1,1,0,0,0,0|2,0,0]=4 9419 B13R0.150 CCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210614 [1,1,0,0,0,0|2,0,0]=4 9420 B13R0.150 CCCCOCCNCC(C)C(=O)O 269956a_100000749485_100000743108 [1,1,0,0,0,0|2,0,0]=4 9421 B13R0.150 CCCCOCCNCC(F)C(=O)O 269956a_100000084737_100000743108 [1,1,0,0,0,0|2,0,0]=4 9422 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [1,1,0,0,0,0|2,0,0]=4 9423 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [1,1,0,0,0,0|2,0,0]=4 9424 B13R0.150 O=C(O)C(F)CNCCCCCCF 269956a_100000084737_100015922095 [1,1,0,0,0,0|2,0,0]=4 9425 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [1,1,0,0,0,0|2,0,0]=4 9426 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [1,1,0,0,0,0|1,0,1]=4 9427 B13R0.154 CCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011218727 [1,1,0,0,0,0|2,0,0]=4 9428 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [1,1,0,0,0,0|1,0,0]=3 9429 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [1,1,0,0,0,0|2,0,0]=4 9430 B13R0.154 CCCCCCCC(C)OCC(=O)N 34a_200011215852_100000187820 [1,1,0,0,0,0|2,0,0]=4 9431 B13R0.154 CCCCCCCC(C)OCC(=O)N 7a_200011215852_100000187820 [1,1,0,0,0,0|2,0,0]=4 9432 B13R0.154 CCCCCCCC(C)OCC(=O)[O-] 34a_200011215852_100020667443 [1,1,0,0,0,0|1,0,1]=4 9433 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_100000747473_200011218727 [1,1,0,0,0,0|2,0,0]=4 9434 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_200011218727_100000747473 [1,1,0,0,0,0|2,0,0]=4 9435 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218727 [1,1,0,0,0,0|1,0,1]=4 9436 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_200011218727_100020667443 [1,1,0,0,0,0|1,0,1]=4 9437 B13R0.154 CCCCCCCN(C)CCC(=O)C 269982a_100000228206_100000053229 [1,1,0,0,0,0|2,0,0]=4 9438 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000228206_100000744528 [1,1,0,0,0,0|2,0,0]=4 9439 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210681 [1,1,0,0,0,0|2,0,0]=4 9440 B13R0.154 CCCCCCCN(C)CCC(=O)N 269982a_100000228206_100000744528 [1,1,0,0,0,0|2,0,0]=4 9441 B13R0.179 CC(=O)CCCCNCCCC(C)C 34a_200000737386_100009817362 [1,1,0,0,0,0|2,0,0]=4 9442 B13R0.179 CC(=O)CCCCOCCCC(C)C 34a_100000210774_100009817362 [1,1,0,0,0,0|2,0,0]=4 9443 B13R0.179 CC(=O)CCCCOCCCC(C)C 7a_100000210774_100000735457 [1,1,0,0,0,0|2,0,0]=4 9444 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100000735457_100011214892 [1,1,0,0,0,0|2,0,0]=4 9445 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100011214892_100000735457 [1,1,0,0,0,0|2,0,0]=4 9446 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [1,1,0,0,0,0|2,0,0]=4 9447 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [1,1,0,0,0,0|2,0,0]=4 9448 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100000759063_100011216152 [1,1,0,0,0,0|2,0,0]=4 9449 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100011214890_100000685027 [1,1,0,0,0,0|2,0,0]=4 9450 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100000759063_100011216152 [1,1,0,0,0,0|2,0,0]=4 9451 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215641 [1,1,0,0,0,0|2,0,0]=4 9452 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011215641_100011216152 [1,1,0,0,0,0|2,0,0]=4 9453 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011216152_100011215641 [1,1,0,0,0,0|2,0,0]=4 9454 B13R0.179 CC(=O)CCOCCCCCC(C)C 34a_100000759926_100000210682 [1,1,0,0,0,0|2,0,0]=4 9455 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100000759926_100000210682 [1,1,0,0,0,0|2,0,0]=4 9456 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100011995859_100000053229 [1,1,0,0,0,0|2,0,0]=4 9457 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000053229_100000210682 [1,1,0,0,0,0|2,0,0]=4 9458 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000210682_100000053229 [1,1,0,0,0,0|2,0,0]=4 9459 B13R0.179 CC(Br)CCOCCCCCC(=O)N 34a_100009893172_100009817443 [1,1,0,0,0,0|2,0,0]=4 9460 B13R0.179 CC(C)CCCCCCNCC(=O)N 2230a_100000211014_100000747473 [1,1,0,0,0,0|2,0,0]=4 9461 B13R0.179 CC(C)CCCCCCNCC(=O)N 34a_100000211014_100000187820 [1,1,0,0,0,0|2,0,0]=4 9462 B13R0.179 CC(C)CCCCCCNCC(=O)[O-] 34a_100000211014_100020667443 [1,1,0,0,0,0|1,0,1]=4 9463 B13R0.179 CC(C)CCCCCNCCC(=O)N 2230a_100011290863_100000744528 [1,1,0,0,0,0|2,0,0]=4 9464 B13R0.179 CC(C)CCCCCNCCC(=O)N 34a_100011290863_100000731001 [1,1,0,0,0,0|2,0,0]=4 9465 B13R0.179 CC(C)CCCCCNOCC(=O)O 269956a_100000106656_100000210682 [1,1,0,0,0,0|2,0,0]=4 9466 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100000757172_100000210682 [1,1,0,0,0,0|2,0,0]=4 9467 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100011995859_100000731001 [1,1,0,0,0,0|2,0,0]=4 9468 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100000757172_100000210682 [1,1,0,0,0,0|2,0,0]=4 9469 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100011995859_100000744528 [1,1,0,0,0,0|2,0,0]=4 9470 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000210682_100000744528 [1,1,0,0,0,0|2,0,0]=4 9471 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000744528_100000210682 [1,1,0,0,0,0|2,0,0]=4 9472 B13R0.179 CC(C)CCCCNCCCC(=O)N 34a_100000739312_100011216152 [1,1,0,0,0,0|2,0,0]=4 9473 B13R0.179 CC(C)CCCCOCCCC(=O)N 34a_100011214890_100102525003 [1,1,0,0,0,0|2,0,0]=4 9474 B13R0.179 CC(C)CCCCOCCCC(=O)N 7a_100011214890_100102525003 [1,1,0,0,0,0|2,0,0]=4 9475 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100011216152_100102525003 [1,1,0,0,0,0|2,0,0]=4 9476 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100102525003_100011216152 [1,1,0,0,0,0|2,0,0]=4 9477 B13R0.179 CC(C)CCCNCCCCC(=O)N 34a_100000696515_100011214892 [1,1,0,0,0,0|2,0,0]=4 9478 B13R0.179 CC(C)CCCNCCOCC(=O)O 269956a_100000700818_100011214892 [1,1,0,0,0,0|2,0,0]=4 9479 B13R0.179 CC(C)CCCOCCCCC(=O)N 34a_100012022536_100011214892 [1,1,0,0,0,0|2,0,0]=4 9480 B13R0.179 CC(C)CCCOCCCCC(=O)N 7a_100012022536_100011214892 [1,1,0,0,0,0|2,0,0]=4 9481 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000123541_100000210312 [1,1,0,0,0,0|2,0,0]=4 9482 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000210254_100009817443 [1,1,0,0,0,0|2,0,0]=4 9483 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000123541_100000210626 [1,1,0,0,0,0|2,0,0]=4 9484 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000210254_100009817443 [1,1,0,0,0,0|2,0,0]=4 9485 B13R0.179 CC(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000210626 [1,1,0,0,0,0|1,0,1]=4 9486 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100000210312_100009817443 [1,1,0,0,0,0|2,0,0]=4 9487 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100009817443_100000210312 [1,1,0,0,0,0|2,0,0]=4 9488 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [1,1,0,0,0,0|2,0,0]=4 9489 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [1,1,0,0,0,0|2,0,0]=4 9490 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [1,1,0,0,0,0|2,0,0]=4 9491 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [1,1,0,0,0,0|2,0,0]=4 9492 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [1,1,0,0,0,0|2,0,0]=4 9493 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [1,1,0,0,0,0|2,0,0]=4 9494 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [1,1,0,0,0,0|2,0,0]=4 9495 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [1,1,0,0,0,0|1,0,1]=4 9496 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [1,1,0,0,0,0|2,0,0]=4 9497 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [1,1,0,0,0,0|2,0,0]=4 9498 B13R0.179 C[C@@H](N)CCOCCCCCC(=O)N 34a_100000706166_100009817443 [1,1,0,0,0,0|2,0,0]=4 9499 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [1,1,0,0,0,0|1,0,1]=4 9500 B13R0.188 CCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218191 [1,1,0,0,0,0|2,0,0]=4 9501 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [1,1,0,0,0,0|2,0,0]=4 9502 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [1,1,0,0,0,0|2,0,0]=4 9503 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [1,1,0,0,0,0|2,0,0]=4 9504 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [1,1,0,0,0,0|2,0,0]=4 9505 B13R0.188 CCCCCC(C)OCCCC(=O)N 34a_100011215632_100102525003 [1,1,0,0,0,0|2,0,0]=4 9506 B13R0.188 CCCCCC(C)OCCCC(=O)N 7a_100011215632_100102525003 [1,1,0,0,0,0|2,0,0]=4 9507 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218191 [1,1,0,0,0,0|2,0,0]=4 9508 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_200011218191_100011215641 [1,1,0,0,0,0|2,0,0]=4 9509 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218191 [1,1,0,0,0,0|2,0,0]=4 9510 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_200011218191_100102525003 [1,1,0,0,0,0|2,0,0]=4 9511 B13R0.188 CCCCCN(C)CCCCC(=O)C 269982a_100000223495_100000735457 [1,1,0,0,0,0|2,0,0]=4 9512 B13R0.202 CCC(C)CCCCCOCC(=O)N 7a_200000035636_100000187820 [1,1,0,0,0,0|2,0,0]=4 9513 B13R0.202 CCC(C)CCCOCCCC(=O)C 7a_100011216074_100011215641 [1,1,0,0,0,0|2,0,0]=4 9514 B13R0.202 CCC(C)CCCOCCCC(=O)N 7a_100011216074_100102525003 [1,1,0,0,0,0|2,0,0]=4 9515 B13R0.202 CCC(C)CCOCCCCC(=O)C 7a_100011215188_100000735457 [1,1,0,0,0,0|2,0,0]=4 9516 B13R0.202 CCC(C)CNCCCCCC(=O)N 2230a_100020588543_100009817443 [1,1,0,0,0,0|2,0,0]=4 9517 B13R0.202 CCC(C)COCCCCCC(=O)N 34a_100000123541_100000748023 [1,1,0,0,0,0|2,0,0]=4 9518 B13R0.202 CCC(C)COCCCCCC(=O)N 7a_100000123541_100000748023 [1,1,0,0,0,0|2,0,0]=4 9519 B13R0.202 CCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748023 [1,1,0,0,0,0|1,0,1]=4 9520 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100000748023_100009817443 [1,1,0,0,0,0|2,0,0]=4 9521 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100009817443_100000748023 [1,1,0,0,0,0|2,0,0]=4 9522 B13R0.202 CCC(O)CNCCCCCC(=O)N 2230a_100011218483_100009817443 [1,1,0,0,0,0|2,0,0]=4 9523 B13R0.202 CCC(O)COCCCCCC(=O)N 34a_100000123541_100011218378 [1,1,0,0,0,0|2,0,0]=4 9524 B13R0.202 CCC(O)COCCCCCC(=O)N 7a_100000123541_100011218378 [1,1,0,0,0,0|2,0,0]=4 9525 B13R0.202 CCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218378 [1,1,0,0,0,0|1,0,1]=4 9526 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100009817443_100011218378 [1,1,0,0,0,0|2,0,0]=4 9527 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100011218378_100009817443 [1,1,0,0,0,0|2,0,0]=4 9528 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 34a_100000123541_100009816398 [1,1,0,0,0,0|2,0,0]=4 9529 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100000123541_100009816398 [1,1,0,0,0,0|2,0,0]=4 9530 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100009816381_100009817443 [1,1,0,0,0,0|2,0,0]=4 9531 B13R0.202 CC[C@H](C)COCCCCCC(=O)[O-] 7a_100102619762_100009816398 [1,1,0,0,0,0|1,0,1]=4 9532 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009816398_100009817443 [1,1,0,0,0,0|2,0,0]=4 9533 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009817443_100009816398 [1,1,0,0,0,0|2,0,0]=4 9534 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [1,1,0,0,0,0|1,0,1]=4 9535 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [1,1,0,0,0,0|1,0,1]=4 9536 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [1,1,0,0,0,0|0,0,2]=4 9537 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000207567_100000747473 [1,1,0,0,0,0|2,0,0]=4 9538 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210759 [1,1,0,0,0,0|2,0,0]=4 9539 B13R0.335 CCCCCCCCN(C)CC(=O)N 269982a_100000207567_100000187820 [1,1,0,0,0,0|2,0,0]=4 9540 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [1,1,0,0,0,0|1,0,0]=3 9541 B13R0.335 CCCCCCCCN(C)CC(=O)[O-] 269982a_100000207567_100020667443 [1,1,0,0,0,0|1,0,1]=4 9542 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [1,1,0,0,0,0|1,0,0]=3 9543 B13R0.335 CCCCOCNCC(O)CC(=O)O 269956a_100011218706_100011995733 [1,1,0,0,0,0|2,0,0]=4 9544 B13R0.335 CCCOCCNCC(O)CC(=O)O 269956a_100011218706_100011215938 [1,1,0,0,0,0|2,0,0]=4 9545 B13R0.335 CCOCCCNCC(O)CC(=O)O 269956a_100011218706_100012232248 [1,1,0,0,0,0|2,0,0]=4 9546 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [1,1,0,0,0,0|2,0,0]=4 9547 B13R0.335 COCCCCCCN(C)CC(=O)O 269956a_100000746989_100011998445 [1,1,0,0,0,0|2,0,0]=4 9548 B13R0.335 COCCCCNCC(O)CC(=O)O 269956a_100011218706_100000730899 [1,1,0,0,0,0|2,0,0]=4 9549 B13R0.335 O=C(O)CC(O)CNCCCCCF 269956a_100011218706_100000729378 [1,1,0,0,0,0|2,0,0]=4 9550 B13R0.335 O=C(O)CC(O)CNCCCCCO 269956a_100011218706_100000746330 [1,1,0,0,0,0|2,0,0]=4 9551 B15R0.67 CCCCCCCC(O)CC(=O)CC(=O)N 1458a_200011667753_100000187820 [0,2,0,0,0,0|1,0,1]=4 9552 B15R0.67 CCCCCCCC(O)CC(=O)CC(=O)[O-] 1458a_200011667753_100020667443 [0,2,0,0,0,0|0,0,2]=4 9553 B15R0.87 C=CC(CCCCCCC)OCCC(=O)C 7a_200011934235_100000053229 [0,2,0,0,0,0|2,0,0]=4 9554 B15R0.87 C=CC(CCCCCCC)OCCC(=O)N 34a_200011934235_100000731001 [0,2,0,0,0,0|2,0,0]=4 9555 B15R0.87 C=CC(CCCCCCC)OCCC(=O)N 7a_200011934235_100000744528 [0,2,0,0,0,0|2,0,0]=4 9556 B15R0.87 CCCCCCCC(CC)OCCC(=O)C 7a_200011217053_100000053229 [0,2,0,0,0,0|2,0,0]=4 9557 B15R0.87 CCCCCCCC(CC)OCCC(=O)N 34a_200011217053_100000731001 [0,2,0,0,0,0|2,0,0]=4 9558 B15R0.87 CCCCCCCC(CC)OCCC(=O)N 7a_200011217053_100000744528 [0,2,0,0,0,0|2,0,0]=4 9559 B15R0.87 CCCCCCCN(CC)CCCC(=O)C 269982a_100000228213_100011215641 [0,2,0,0,0,0|2,0,0]=4 9560 B15R0.87 CCCCCCCN(CC)CCCC(=O)N 269982a_100000228213_100102525003 [0,2,0,0,0,0|2,0,0]=4 9561 B15R0.132 CCCCCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_200011218727 [0,2,0,0,0,0|1,0,1]=4 9562 B15R0.132 CCCCCCCC(C)N(C)CCC(=O)N 2230a_100000730477_200011218727 [0,2,0,0,0,0|2,0,0]=4 9563 B15R0.132 CCCCCCCC(C)N(C)CCC(=O)N 270004a_100000730477_100000210596 [0,2,0,0,0,0|2,0,0]=4 9564 B15R0.137 CCCCCCCC(=O)CCCC(=O)NC 1458a_100000211969_100000741757 [0,2,0,0,0,0|1,0,1]=4 9565 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC 1458a_100000211969_100011218270 [0,2,0,0,0,0|0,0,1]=3 9566 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210614 [0,2,0,0,0,0|0,0,1]=3 9567 B15R0.137 CCCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210614 [0,2,0,0,0,0|1,0,1]=4 9568 B15R0.137 CCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211969 [0,2,0,0,0,0|1,0,1]=4 9569 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 2230a_100000738227_200011218727 [0,2,0,0,0,0|2,0,0]=4 9570 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210596 [0,2,0,0,0,0|2,0,0]=4 9571 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 34a_100000738227_200011218727 [0,2,0,0,0,0|2,0,0]=4 9572 B15R0.137 CCCCCCCC(C)OCCC(=NO)N 34a_100000749954_200011218727 [0,2,0,0,0,0|2,0,0]=4 9573 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 34a_100000754576_200011218727 [0,2,0,0,0,0|2,0,0]=4 9574 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 34a_200011215852_100012179268 [0,2,0,0,0,0|2,0,0]=4 9575 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 7a_200011215852_100000737683 [0,2,0,0,0,0|2,0,0]=4 9576 B15R0.137 CCCCCCCC(C)OCCC(=O)OC 34a_200011215852_100000742370 [0,2,0,0,0,0|1,0,0]=3 9577 B15R0.137 CCCCCCCC(C)OCCC(=O)OC 7a_200011215852_100000204255 [0,2,0,0,0,0|1,0,0]=3 9578 B15R0.137 CCCCCCCC(C)SCCC(=O)NC 62a_100000737683_200011218727 [0,2,0,0,0,0|2,0,0]=4 9579 B15R0.137 CCCCCCCC(C)SCCC(=O)NC 62a_200011218727_100000737683 [0,2,0,0,0,0|2,0,0]=4 9580 B15R0.137 CCCCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218727 [0,2,0,0,0,0|1,0,0]=3 9581 B15R0.137 CCCCCCCC(C)SCCC(=O)OC 62a_200011218727_100000204255 [0,2,0,0,0,0|1,0,0]=3 9582 B15R0.137 CCCCCCCC(C)SCOC(=O)OC 62a_200011218727_100000139417 [0,2,0,0,0,0|2,0,0]=4 9583 B15R0.137 CCCCCCCN(C)CCCC(=O)NC 2230a_100000228206_100000741757 [0,2,0,0,0,0|2,0,0]=4 9584 B15R0.137 CCCCCCCN(C)CCCC(=O)NC 269982a_100000228206_100000741757 [0,2,0,0,0,0|2,0,0]=4 9585 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 2230a_100000228206_100011218270 [0,2,0,0,0,0|1,0,0]=3 9586 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 269982a_100000228206_100011218270 [0,2,0,0,0,0|1,0,0]=3 9587 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210681 [0,2,0,0,0,0|1,0,0]=3 9588 B15R0.137 CCCCCCNC(=O)CCCC(=O)OC 11a_100000210581_100000239890 [0,2,0,0,0,0|1,0,1]=4 9589 B15R0.137 CCCCCCNC(=O)CCCC(=O)OC 1626a_100000210581_100000239890 [0,2,0,0,0,0|1,0,1]=4 9590 B15R0.137 CCCCCCNC(=O)CCCC(=O)OC 240690a_100000210581_100000239890 [0,2,0,0,0,0|1,0,1]=4 9591 B15R0.137 CCCCCCNC(=O)CCCC(=O)OC 527a_100000210581_100000239890 [0,2,0,0,0,0|1,0,1]=4 9592 B15R0.137 CCCCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100000743108 [0,2,0,0,0,0|1,0,1]=4 9593 B15R0.137 CCCCOCCN(C)CCCC(=O)OC 269982a_100000739225_100000743108 [0,2,0,0,0,0|2,0,0]=4 9594 B15R0.137 COC(=O)CCCC(=O)CCCCCCF 1458a_100000239890_100015922095 [0,2,0,0,0,0|1,0,1]=4 9595 B15R0.137 COC(=O)CCCC(=O)CCCCCCO 1458a_100000239890_100000766143 [0,2,0,0,0,0|1,0,1]=4 9596 B15R0.137 COC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100011218270 [0,2,0,0,0,0|1,0,1]=4 9597 B15R0.137 COC(=O)CCCN(C)CCCCCCF 269982a_100000739225_100015922095 [0,2,0,0,0,0|2,0,0]=4 9598 B15R0.137 COC(=O)CCCN(C)CCCCCCO 269982a_100000739225_100000766143 [0,2,0,0,0,0|2,0,0]=4 9599 B15R0.137 COCCCCCC(=O)CCCC(=O)OC 1458a_100011935119_100011218270 [0,2,0,0,0,0|1,0,1]=4 9600 B15R0.221 CC(=O)CCCC(=O)CCCCCC(C)C 1458a_100000766313_100011215641 [0,2,0,0,0,0|1,0,1]=4 9601 B15R0.221 CC(=O)CCCCOC(C)CCCC(C)C 34a_200011218570_100009817362 [0,2,0,0,0,0|2,0,0]=4 9602 B15R0.221 CC(=O)CCCCOC(C)CCCC(C)C 7a_200011218570_100000735457 [0,2,0,0,0,0|2,0,0]=4 9603 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 34a_100000759926_100009816328 [0,2,0,0,0,0|2,0,0]=4 9604 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 7a_100000015991_100000053229 [0,2,0,0,0,0|2,0,0]=4 9605 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 7a_100000759926_100009816328 [0,2,0,0,0,0|2,0,0]=4 9606 B15R0.221 CC(=O)CCSCCC(C)CCCC(C)C 62a_100000053229_100009816328 [0,2,0,0,0,0|2,0,0]=4 9607 B15R0.221 CC(=O)CCSCCC(C)CCCC(C)C 62a_100009816328_100000053229 [0,2,0,0,0,0|2,0,0]=4 9608 B15R0.221 CC(C)CCCC(=O)CCCCCC(=O)N 1458a_100011216857_100009817443 [0,2,0,0,0,0|1,0,1]=4 9609 B15R0.221 CC(C)CCCC(C)CCNCCC(=O)N 2230a_102516457229_100000744528 [0,2,0,0,0,0|2,0,0]=4 9610 B15R0.221 CC(C)CCCC(C)CCNOCC(=O)O 269956a_100000106656_100009816328 [0,2,0,0,0,0|2,0,0]=4 9611 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 34a_100000015991_100000731001 [0,2,0,0,0,0|2,0,0]=4 9612 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 34a_100000757172_100009816328 [0,2,0,0,0,0|2,0,0]=4 9613 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 7a_100000015991_100000744528 [0,2,0,0,0,0|2,0,0]=4 9614 B15R0.221 CC(C)CCCC(C)CCOCCC(=O)N 7a_100000757172_100009816328 [0,2,0,0,0,0|2,0,0]=4 9615 B15R0.221 CC(C)CCCC(C)CCSCCC(=O)N 62a_100000744528_100009816328 [0,2,0,0,0,0|2,0,0]=4 9616 B15R0.221 CC(C)CCCC(C)CCSCCC(=O)N 62a_100009816328_100000744528 [0,2,0,0,0,0|2,0,0]=4 9617 B15R0.221 CC(C)CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000753411 [0,2,0,0,0,0|2,0,0]=4 9618 B15R0.221 CC(C)CCCCCC(=O)CCCC(=O)N 1458a_100000766313_100102525003 [0,2,0,0,0,0|1,0,1]=4 9619 B15R0.221 CC(C)CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210682 [0,2,0,0,0,0|1,0,0]=3 9620 B15R0.221 CC(C)CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011216152 [0,2,0,0,0,0|1,0,1]=4 9621 B15R0.323 CCCCCCCC(C)NCC(C)C(=O)O 269956a_100000749485_200011218727 [0,2,0,0,0,0|1,0,0]=3 9622 B15R0.323 CCCCCCCC(C)NCC(F)C(=O)O 269956a_100000084737_200011218727 [0,2,0,0,0,0|1,0,0]=3 9623 B15R0.323 CCCCCCCC(C)OCC(C)C(=O)C 34a_100000032740_200011218727 [0,2,0,0,0,0|2,0,0]=4 9624 B15R0.323 CCCCCCCC(C)OCC(C)C(=O)C 7a_100000032740_200011218727 [0,2,0,0,0,0|2,0,0]=4 9625 B15R0.323 CCCCCCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_200011218727 [0,2,0,0,0,0|2,0,0]=4 9626 B15R0.329 CCCCCCC(C)N(C)CCCC(=O)O 269956a_100000719178_100011215978 [0,2,0,0,0,0|1,0,0]=3 9627 B15R0.329 CCCCCCC(O)C(=O)CCCC(=O)C 1458a_100011215828_100011215641 [0,2,0,0,0,0|1,0,1]=4 9628 B15R0.329 CCCCCCC(O)C(=O)CCCC(=O)N 1458a_100011215828_100102525003 [0,2,0,0,0,0|1,0,1]=4 9629 B15R0.367 C#CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012276617 [0,2,0,0,0,0|0,0,2]=4 9630 B15R0.367 C=C(C)COCC(C)CCCCCCCC 34a_200012125181_100000748629 [0,2,0,0,0,0|2,0,0]=4 9631 B15R0.367 C=C(C)COCC(C)CCCCCCCC 7a_200012125181_100000748629 [0,2,0,0,0,0|2,0,0]=4 9632 B15R0.367 C=C(F)COCC(C)CCCCCCCC 34a_200012125181_100009893438 [0,2,0,0,0,0|2,0,0]=4 9633 B15R0.367 C=C(F)COCC(C)CCCCCCCC 7a_200012125181_100000042424 [0,2,0,0,0,0|2,0,0]=4 9634 B15R0.367 C=CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215473 [0,2,0,0,0,0|0,0,2]=4 9635 B15R0.367 CC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011215641 [0,2,0,0,0,0|1,0,1]=4 9636 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCF 7a_100000761597_100015922095 [0,2,0,0,0,0|1,0,1]=4 9637 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCO 7a_100000761597_100000766143 [0,2,0,0,0,0|1,0,1]=4 9638 B15R0.367 CCCCCC#CCN(C)CCCC(=O)O 269956a_100000719178_100009816472 [0,2,0,0,0,0|0,0,2]=4 9639 B15R0.367 CCCCCCCCC(=O)CCCC(=O)C 1458a_100000210188_100011215641 [0,2,0,0,0,0|1,0,0]=3 9640 B15R0.367 CCCCCCCCC(=O)CCCC(=O)N 1458a_100000210188_100102525003 [0,2,0,0,0,0|1,0,0]=3 9641 B15R0.367 CCCCCCCCC(=O)CCCC(C)O 1458a_100000210188_200000718107 [0,2,0,0,0,0|1,0,1]=4 9642 B15R0.367 CCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210759 [0,2,0,0,0,0|1,0,1]=4 9643 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210759 [0,2,0,0,0,0|1,0,1]=4 9644 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000210188_100000189650 [0,2,0,0,0,0|1,0,1]=4 9645 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210759 [0,2,0,0,0,0|1,0,1]=4 9646 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000210188_200000034859 [0,2,0,0,0,0|1,0,1]=4 9647 B15R0.367 CCCCCCCCC(=O)CCOC(=O)C 1458a_100000210188_100009814007 [0,2,0,0,0,0|1,0,1]=4 9648 B15R0.367 CCCCCCCCC(=O)CCOC(=O)N 1458a_100000210188_200011214921 [0,2,0,0,0,0|1,0,1]=4 9649 B15R0.367 CCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210759 [0,2,0,0,0,0|1,0,1]=4 9650 B15R0.367 CCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210759 [0,2,0,0,0,0|1,0,1]=4 9651 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210188 [0,2,0,0,0,0|1,0,1]=4 9652 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210188 [0,2,0,0,0,0|1,0,1]=4 9653 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000210188 [0,2,0,0,0,0|1,0,1]=4 9654 B15R0.367 CCCCCCCCC(C)CNCC(C)O 270004a_100000210904_100011995885 [0,2,0,0,0,0|1,0,1]=4 9655 B15R0.367 CCCCCCCCC(C)COCC(=O)N 34a_200012125181_100000187820 [0,2,0,0,0,0|1,0,0]=3 9656 B15R0.367 CCCCCCCCC(C)COCC(=O)N 7a_200012125181_100000187820 [0,2,0,0,0,0|1,0,0]=3 9657 B15R0.367 CCCCCCCCC(C)COCC(=O)[O-] 34a_200012125181_100020667443 [0,2,0,0,0,0|0,0,1]=3 9658 B15R0.367 CCCCCCCCC(C)COCC(C)O 34a_200012125181_100011218427 [0,2,0,0,0,0|1,0,1]=4 9659 B15R0.367 CCCCCCCCC(C)COCC(C)O 7a_200012125181_100011218427 [0,2,0,0,0,0|1,0,1]=4 9660 B15R0.367 CCCCCCCCC(C)COC[C@@H](C)O 34a_200012125181_100009817552 [0,2,0,0,0,0|1,0,1]=4 9661 B15R0.367 CCCCCCCCC(C)COC[C@@H](C)O 7a_200012125181_100009817552 [0,2,0,0,0,0|1,0,1]=4 9662 B15R0.367 CCCCCCCCC(C)COC[N+](=O)[O-] 34a_200012125181_100000761209 [0,2,0,0,0,0|1,0,1]=4 9663 B15R0.367 CCCCCCCCC(C)NCCC(C)O 270004a_200000755665_100011216694 [0,2,0,0,0,0|1,0,1]=4 9664 B15R0.367 CCCCCCCCC(C)OCCC(=O)C 7a_100000210740_100000053229 [0,2,0,0,0,0|1,0,0]=3 9665 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 34a_100000210740_100000731001 [0,2,0,0,0,0|1,0,0]=3 9666 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 7a_100000210740_100000744528 [0,2,0,0,0,0|1,0,0]=3 9667 B15R0.367 CCCCCCCCC(C)OCCC(C)O 34a_100000210740_100012276601 [0,2,0,0,0,0|1,0,1]=4 9668 B15R0.367 CCCCCCCCC(C)OCCC(C)O 7a_100000210740_100012276601 [0,2,0,0,0,0|1,0,1]=4 9669 B15R0.367 CCCCCCCCC(C)OCOC(=O)C 34a_100000210740_100009813279 [0,2,0,0,0,0|2,0,0]=4 9670 B15R0.367 CCCCCCCCN(C)CCCC(=O)C 269982a_100000207567_100011215641 [0,2,0,0,0,0|1,0,0]=3 9671 B15R0.367 CCCCCCCCN(C)CCCC(=O)N 269982a_100000207567_100102525003 [0,2,0,0,0,0|1,0,0]=3 9672 B15R0.367 CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210759 [0,2,0,0,0,0|0,0,0]=2 9673 B15R0.367 CCCCCCCCN(C)CCCC(C)O 2230a_100000207567_200000718107 [0,2,0,0,0,0|1,0,1]=4 9674 B15R0.367 CCCCCCCCN(C)CCCC(C)O 269982a_100000207567_200000718107 [0,2,0,0,0,0|1,0,1]=4 9675 B15R0.367 CCCCCCCCN(C)CCNC(=O)C 2230a_100000207567_100000189650 [0,2,0,0,0,0|2,0,0]=4 9676 B15R0.367 CCCCCCCCN(C)CCNC(=O)C 269982a_100000207567_100000189650 [0,2,0,0,0,0|2,0,0]=4 9677 B15R0.367 CCCCCCCCN(C)CCNC(=O)N 2230a_100000207567_200000034859 [0,2,0,0,0,0|2,0,0]=4 9678 B15R0.367 CCCCCCCCN(C)CCNC(=O)N 269982a_100000207567_200000034859 [0,2,0,0,0,0|2,0,0]=4 9679 B15R0.367 CCCCCCCCN(C)CCOC(=O)C 269982a_100000207567_100009814007 [0,2,0,0,0,0|2,0,0]=4 9680 B15R0.367 CCCCCCCCN(C)CCOC(=O)N 269982a_100000207567_200011214921 [0,2,0,0,0,0|2,0,0]=4 9681 B15R0.367 CCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210614 [0,2,0,0,0,0|0,0,1]=3 9682 B15R0.367 CCCCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000743108 [0,2,0,0,0,0|1,0,1]=4 9683 B15R0.367 CCOCCOCCN(C)CCCC(=O)O 269956a_100000719178_100011211534 [0,2,0,0,0,0|2,0,0]=4 9684 B15R0.367 CN(CCCCCCC#N)CCCC(=O)O 269956a_100000719178_100009813337 [0,2,0,0,0,0|1,0,1]=4 9685 B15R0.367 CN(CCCCCCCO)CCCC(=O)O 269956a_100000719178_100000760002 [0,2,0,0,0,0|1,0,0]=3 9686 B15R0.367 COCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011998445 [0,2,0,0,0,0|1,0,0]=3 9687 B15R0.367 COCCOCCCN(C)CCCC(=O)O 269956a_100000719178_100011216529 [0,2,0,0,0,0|2,0,0]=4 9688 B15R0.367 NC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100102525003 [0,2,0,0,0,0|1,0,1]=4 9689 B15R0.371 CCCCCC(=O)CN(C)CCCC(=O)O 269956a_100000719178_200012276598 [0,2,0,0,0,0|1,0,1]=4 9690 B15R0.371 CCCCCC(C)OC(C)CCCC(=O)[O-] 7a_100000761597_200011218191 [0,2,0,0,0,0|1,0,1]=4 9691 B15R0.3451 CCCCC(C)CCC(=O)CCCC(=O)C 1458a_100000033779_100011215641 [0,2,0,0,0,0|1,0,1]=4 9692 B15R0.3451 CCCCC(C)CCC(=O)CCCC(=O)N 1458a_100000033779_100102525003 [0,2,0,0,0,0|1,0,1]=4 9693 B15R0.4281 CCCCCCCC(C)(C)NOCC(=O)O 269956a_100000106656_200000046972 [0,2,0,0,0,0|2,0,0]=4 9694 B15R0.4281 CCCCCCCC(C)(C)OCCC(=O)C 34a_100000759926_200000046972 [0,2,0,0,0,0|2,0,0]=4 9695 B15R0.4281 CCCCCCCC(C)(C)OCCC(=O)C 7a_100000759926_200000046972 [0,2,0,0,0,0|2,0,0]=4 9696 B15R0.4281 CCCCCCCC(C)(C)OCCC(=O)N 34a_100000757172_200000046972 [0,2,0,0,0,0|2,0,0]=4 9697 B15R0.4281 CCCCCCCC(C)(C)OCCC(=O)N 7a_100000757172_200000046972 [0,2,0,0,0,0|2,0,0]=4 9698 B15R0.4281 CCCCCCCC(C)(C)SCCC(=O)C 62a_100000053229_200000046972 [0,2,0,0,0,0|2,0,0]=4 9699 B15R0.4281 CCCCCCCC(C)(C)SCCC(=O)C 62a_200000046972_100000053229 [0,2,0,0,0,0|2,0,0]=4 9700 B15R0.4281 CCCCCCCC(C)(C)SCCC(=O)N 62a_100000744528_200000046972 [0,2,0,0,0,0|2,0,0]=4 9701 B15R0.4281 CCCCCCCC(C)(C)SCCC(=O)N 62a_200000046972_100000744528 [0,2,0,0,0,0|2,0,0]=4 9702 B15R0.226 CC(=O)CCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100009817362 [0,2,0,0,0,0|2,0,0]=4 9703 B15R0.226 CC(C)CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210682 [0,2,0,0,0,0|1,0,0]=3 9704 B15R0.226 CC(C)C[C@H](N)COCCCCCC(=O)N 34a_100011830311_100009817443 [0,2,0,0,0,0|2,0,0]=4 9705 B15R0.247 C=C(C)CCOCCCCCCC(=O)OC 34a_100000764851_100009815986 [0,2,0,0,0,0|1,0,1]=4 9706 B15R0.247 C=C(C)CCOCCCCCCC(=O)OC 34a_100009863599_100000730704 [0,2,0,0,0,0|1,0,1]=4 9707 B15R0.247 C=C(C)CCOCCCCCCC(=O)OC 7a_100009863599_100000730704 [0,2,0,0,0,0|1,0,1]=4 9708 B15R0.247 C=C(C)CCSCCCCCCC(=O)OC 62a_100000730704_100009815986 [0,2,0,0,0,0|1,0,1]=4 9709 B15R0.247 C=C(C)CCSCCCCCCC(=O)OC 62a_100009815986_100000730704 [0,2,0,0,0,0|1,0,1]=4 9710 B15R0.247 C=C(C)COCCCCCCCC(=O)OC 34a_100000210245_100010004213 [0,2,0,0,0,0|1,0,1]=4 9711 B15R0.247 C=C(C)COCCCCCCCC(=O)OC 34a_100011022521_100000748629 [0,2,0,0,0,0|1,0,1]=4 9712 B15R0.247 C=C(C)COCCCCCCCC(=O)OC 7a_100011022521_100000748629 [0,2,0,0,0,0|1,0,1]=4 9713 B15R0.247 C=C(C)CSCCCCCCCC(=O)OC 62a_100000748629_100010004213 [0,2,0,0,0,0|1,0,1]=4 9714 B15R0.247 C=C(C)CSCCCCCCCC(=O)OC 62a_100010004213_100000211660 [0,2,0,0,0,0|1,0,1]=4 9715 B15R0.247 CC(C)CCCCCOCCCC(=O)NN 34a_100000211488_100000210682 [0,2,0,0,0,0|2,0,0]=4 9716 B15R0.247 CCC(=O)COCCCCCCCC(C)C 7a_200000210741_100000747405 [0,2,0,0,0,0|2,0,0]=4 9717 B15R0.247 CCC(C)CCCCCOCCCC(=O)C 7a_200000035636_100011215641 [0,2,0,0,0,0|1,0,0]=3 9718 B15R0.247 CCC(C)CCCCCOCCCC(=O)N 7a_200000035636_100102525003 [0,2,0,0,0,0|1,0,0]=3 9719 B15R0.247 CCC(C)CCCCCOCCCC(C)O 7a_200000035636_200000718107 [0,2,0,0,0,0|1,0,1]=4 9720 B15R0.247 CCC(C)CCCCCOCCNC(=O)C 7a_200000035636_100000189650 [0,2,0,0,0,0|2,0,0]=4 9721 B15R0.247 CCC(C)CCCCCOCCNC(=O)N 7a_200000035636_200000034859 [0,2,0,0,0,0|2,0,0]=4 9722 B15R0.247 CCC(C)CCCCCOCCOC(=O)C 7a_200000035636_100009814007 [0,2,0,0,0,0|2,0,0]=4 9723 B15R0.247 CCC(C)CCCCCOCCOC(=O)N 7a_200000035636_200011214921 [0,2,0,0,0,0|2,0,0]=4 9724 B15R0.247 CCC(C)CCCOCCCCCB(O)O 7a_100011216074_200009817188 [0,2,0,0,0,0|1,0,1]=4 9725 B15R0.247 CCC(C)CCCOCCCCCC(=O)N 7a_100011216074_100009817443 [0,2,0,0,0,0|1,0,0]=3 9726 B15R0.247 CCC(C)CCCOCCCCOC(=O)C 7a_100011216074_100000033659 [0,2,0,0,0,0|2,0,0]=4 9727 B15R0.247 CCC(C)CCCOCCCCSC(=O)C 7a_100011216074_200010402107 [0,2,0,0,0,0|2,0,0]=4 9728 B15R0.247 CCC(C)CCNCCCCCCB(O)O 2230a_100020591266_100009817187 [0,2,0,0,0,0|1,0,1]=4 9729 B15R0.247 CCC(C)CCNCCCCCOC(=O)C 2230a_100020591266_100009813381 [0,2,0,0,0,0|2,0,0]=4 9730 B15R0.247 CCC(C)CCOCCCCCCB(O)O 7a_100011215188_100009817187 [0,2,0,0,0,0|1,0,1]=4 9731 B15R0.247 CCC(C)CCOCCCCCOC(=O)C 7a_100011215188_100000033007 [0,2,0,0,0,0|2,0,0]=4 9732 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 2230a_200011996284_100000748023 [0,2,0,0,0,0|2,0,0]=4 9733 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 270004a_200011996284_100000243153 [0,2,0,0,0,0|2,0,0]=4 9734 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 34a_200011996284_100000748023 [0,2,0,0,0,0|2,0,0]=4 9735 B15R0.247 CCC(C)CNCCCCCCSC(=O)C 270004a_100000704104_100000243153 [0,2,0,0,0,0|2,0,0]=4 9736 B15R0.247 CCC(C)CNCCOCCOCC(=O)O 269956a_100009854275_100000748023 [0,2,0,0,0,0|2,0,0]=4 9737 B15R0.247 CCC(O)CNCCCCCCNC(=O)C 2230a_200011996284_100011218378 [0,2,0,0,0,0|2,0,0]=4 9738 B15R0.247 CCC(O)CNCCCCCCNC(=O)C 34a_200011996284_100011218378 [0,2,0,0,0,0|2,0,0]=4 9739 B15R0.247 CCC(O)CNCCOCCOCC(=O)O 269956a_100009854275_100011218378 [0,2,0,0,0,0|2,0,0]=4 9740 B15R0.247 CCN(C)CCCOCCCCCC(=O)N 7a_100000123541_100015186262 [0,2,0,0,0,0|2,0,0]=4 9741 B15R0.247 CCN(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100015186262 [0,2,0,0,0,0|1,0,1]=4 9742 B15R0.247 CCN(C)CCCSCCCCCC(=O)N 62a_100009817443_100015186262 [0,2,0,0,0,0|2,0,0]=4 9743 B15R0.247 CC[C@H](C)CNCCCCCCNC(=O)C 2230a_200011996284_100009816398 [0,2,0,0,0,0|2,0,0]=4 9744 B15R0.247 CC[C@H](C)CNCCCCCCNC(=O)C 34a_200011996284_100009816398 [0,2,0,0,0,0|2,0,0]=4 9745 B15R0.247 CC[C@H](C)CNCCOCCOCC(=O)O 269956a_100009854275_100009816398 [0,2,0,0,0,0|2,0,0]=4 9746 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 2230a_100000740002_100000210682 [0,2,0,0,0,0|2,0,0]=4 9747 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100000741757 [0,2,0,0,0,0|2,0,0]=4 9748 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 34a_100000740002_100000210682 [0,2,0,0,0,0|2,0,0]=4 9749 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000741757 [0,2,0,0,0,0|2,0,0]=4 9750 B15R0.247 CNC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000741757 [0,2,0,0,0,0|2,0,0]=4 9751 B15R0.247 CNC(=O)CCCOCCCCCC(C)C 7a_100011995859_100000741757 [0,2,0,0,0,0|2,0,0]=4 9752 B15R0.247 CNC(=O)CCCSCCCCCC(C)C 62a_100000210682_100000741757 [0,2,0,0,0,0|2,0,0]=4 9753 B15R0.247 CNC(=O)CCCSCCCCCC(C)C 62a_100000741757_100000210682 [0,2,0,0,0,0|2,0,0]=4 9754 B15R0.247 CNC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100000737683 [0,2,0,0,0,0|2,0,0]=4 9755 B15R0.247 CNC(=O)CCNCCCCCCC(C)C 34a_100000211014_100012179268 [0,2,0,0,0,0|2,0,0]=4 9756 B15R0.247 CNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000183359 [0,2,0,0,0,0|2,0,0]=4 9757 B15R0.247 CNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000183359 [0,2,0,0,0,0|2,0,0]=4 9758 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100000070787_100009813843 [0,2,0,0,0,0|0,0,1]=3 9759 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100009997464_200000210301 [0,2,0,0,0,0|0,0,1]=3 9760 B15R0.247 COC(=O)CCCCCCCCCC(=O)[13CH3] 1458a_100009997464_200025704644 [0,2,0,0,0,0|0,0,1]=3 9761 B15R0.247 COC(=O)CCCCCCCCCN(C)C 2230a_100102631434_100009813843 [0,2,0,0,0,0|1,0,0]=3 9762 B15R0.247 COC(=O)CCCCCCCCCN(C)C 269982a_100102631434_100009813843 [0,2,0,0,0,0|1,0,0]=3 9763 B15R0.247 COC(=O)CCCCCCCCNC(C)C 2230a_100138425928_100010282707 [0,2,0,0,0,0|1,0,0]=3 9764 B15R0.247 COC(=O)CCCCCCCCNC(C)C 34a_100138425928_100010282707 [0,2,0,0,0,0|1,0,0]=3 9765 B15R0.247 COC(=O)CCCCCCCCOC(C)C 34a_100000035544_100000210206 [0,2,0,0,0,0|1,0,0]=3 9766 B15R0.247 COC(=O)CCCCCCCCOC(C)C 34a_100000212225_100010282707 [0,2,0,0,0,0|1,0,0]=3 9767 B15R0.247 COC(=O)CCCCCCCCOC(C)C 7a_100000035544_100000210206 [0,2,0,0,0,0|1,0,0]=3 9768 B15R0.247 COC(=O)CCCCCCCCSC(C)C 62a_100000210206_100010282707 [0,2,0,0,0,0|1,0,0]=3 9769 B15R0.247 COC(=O)CCCCCCCCSC(C)C 62a_100010282707_100000210206 [0,2,0,0,0,0|1,0,0]=3 9770 B15R0.247 COC(=O)CCCCCCCNCC(=O)O 269956a_100016091260_100010004213 [0,2,0,0,0,0|1,0,1]=4 9771 B15R0.247 COC(=O)CCCCCCCNCC(C)C 2230a_100000210953_100010004213 [0,2,0,0,0,0|1,0,0]=3 9772 B15R0.247 COC(=O)CCCCCCCNCC(C)C 34a_100000210953_100010004213 [0,2,0,0,0,0|1,0,0]=3 9773 B15R0.247 COC(=O)CCCCCCCNCC(C)O 2230a_100000210904_100010004213 [0,2,0,0,0,0|1,0,0]=3 9774 B15R0.247 COC(=O)CCCCCCCNCC(C)O 34a_100000210904_100010004213 [0,2,0,0,0,0|1,0,0]=3 9775 B15R0.247 COC(=O)CCCCCCCNCC(F)F 34a_100000765723_100010004213 [0,2,0,0,0,0|2,0,0]=4 9776 B15R0.247 COC(=O)CCCCCCCOCC(=O)C 34a_100000211253_100010004213 [0,2,0,0,0,0|1,0,1]=4 9777 B15R0.247 COC(=O)CCCCCCCOCC(C)Br 34a_100012180447_100010004213 [0,2,0,0,0,0|1,0,0]=3 9778 B15R0.247 COC(=O)CCCCCCCOCC(C)C 34a_100000210257_100010004213 [0,2,0,0,0,0|1,0,0]=3 9779 B15R0.247 COC(=O)CCCCCCCOCC(C)C 34a_100011022521_100000210624 [0,2,0,0,0,0|1,0,0]=3 9780 B15R0.247 COC(=O)CCCCCCCOCC(C)C 7a_100011022521_100000210760 [0,2,0,0,0,0|1,0,0]=3 9781 B15R0.247 COC(=O)CCCCCCCOCC(C)F 34a_100015925927_100010004213 [0,2,0,0,0,0|1,0,0]=3 9782 B15R0.247 COC(=O)CCCCCCCOCC(C)O 34a_100011022521_100011218427 [0,2,0,0,0,0|1,0,0]=3 9783 B15R0.247 COC(=O)CCCCCCCOCC(C)O 7a_100011022521_100011218427 [0,2,0,0,0,0|1,0,0]=3 9784 B15R0.247 COC(=O)CCCCCCCOCC(F)F 34a_100000743014_100010004213 [0,2,0,0,0,0|2,0,0]=4 9785 B15R0.247 COC(=O)CCCCCCCOCC(F)F 34a_100011022521_100011934356 [0,2,0,0,0,0|2,0,0]=4 9786 B15R0.247 COC(=O)CCCCCCCOCC(F)F 7a_100011022521_100011934356 [0,2,0,0,0,0|2,0,0]=4 9787 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010004213 [0,2,0,0,0,0|1,0,0]=3 9788 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)N 34a_100000737577_100010004213 [0,2,0,0,0,0|1,0,0]=3 9789 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 34a_100011022521_100009817552 [0,2,0,0,0,0|1,0,0]=3 9790 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 7a_100011022521_100009817552 [0,2,0,0,0,0|1,0,0]=3 9791 B15R0.247 COC(=O)CCCCCCCSCC(C)C 62a_100000210624_100010004213 [0,2,0,0,0,0|1,0,0]=3 9792 B15R0.247 COC(=O)CCCCCCCSCC(C)C 62a_100010004213_100000210760 [0,2,0,0,0,0|1,0,0]=3 9793 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100010004213_100011218427 [0,2,0,0,0,0|1,0,0]=3 9794 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100011218427_100010004213 [0,2,0,0,0,0|1,0,0]=3 9795 B15R0.247 COC(=O)CCCCCCCSCC(F)F 62a_100010004213_100011934356 [0,2,0,0,0,0|2,0,0]=4 9796 B15R0.247 COC(=O)CCCCCCCSCC(F)F 62a_100011934356_100010004213 [0,2,0,0,0,0|2,0,0]=4 9797 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100009817552_100010004213 [0,2,0,0,0,0|1,0,0]=3 9798 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100010004213_100009817552 [0,2,0,0,0,0|1,0,0]=3 9799 B15R0.247 COC(=O)CCCCCCNCCC(C)O 2230a_200000755665_100009815986 [0,2,0,0,0,0|1,0,0]=3 9800 B15R0.247 COC(=O)CCCCCCOCCC(=O)C 34a_100000759926_100009815986 [0,2,0,0,0,0|1,0,1]=4 9801 B15R0.247 COC(=O)CCCCCCOCCC(=O)C 7a_100000759926_100009815986 [0,2,0,0,0,0|1,0,1]=4 9802 B15R0.247 COC(=O)CCCCCCOCCC(=O)C 7a_100009863599_100000053229 [0,2,0,0,0,0|1,0,1]=4 9803 B15R0.247 COC(=O)CCCCCCOCCC(C)Br 34a_100009893172_100009815986 [0,2,0,0,0,0|1,0,0]=3 9804 B15R0.247 COC(=O)CCCCCCOCCC(C)C 34a_100000210254_100009815986 [0,2,0,0,0,0|1,0,0]=3 9805 B15R0.247 COC(=O)CCCCCCOCCC(C)C 34a_100009863599_100000210312 [0,2,0,0,0,0|1,0,0]=3 9806 B15R0.247 COC(=O)CCCCCCOCCC(C)C 7a_100000210254_100009815986 [0,2,0,0,0,0|1,0,0]=3 9807 B15R0.247 COC(=O)CCCCCCOCCC(C)C 7a_100009863599_100000210626 [0,2,0,0,0,0|1,0,0]=3 9808 B15R0.247 COC(=O)CCCCCCOCCC(C)O 34a_100009863599_100012276601 [0,2,0,0,0,0|1,0,0]=3 9809 B15R0.247 COC(=O)CCCCCCOCCC(C)O 7a_100009863599_100012276601 [0,2,0,0,0,0|1,0,0]=3 9810 B15R0.247 COC(=O)CCCCCCOCCC(F)F 34a_100103093639_100009815986 [0,2,0,0,0,0|2,0,0]=4 9811 B15R0.247 COC(=O)CCCCCCOCCN(C)C 7a_100009863599_100000755713 [0,2,0,0,0,0|2,0,0]=4 9812 B15R0.247 COC(=O)CCCCCCOCC[C@@H](C)N 34a_100000706166_100009815986 [0,2,0,0,0,0|1,0,0]=3 9813 B15R0.247 COC(=O)CCCCCCOCOC(C)C 34a_100009863599_100000709892 [0,2,0,0,0,0|2,0,0]=4 9814 B15R0.247 COC(=O)CCCCCCSCCC(=O)C 62a_100000053229_100009815986 [0,2,0,0,0,0|1,0,1]=4 9815 B15R0.247 COC(=O)CCCCCCSCCC(=O)C 62a_100009815986_100000053229 [0,2,0,0,0,0|1,0,1]=4 9816 B15R0.247 COC(=O)CCCCCCSCCC(C)C 62a_100000210312_100009815986 [0,2,0,0,0,0|1,0,0]=3 9817 B15R0.247 COC(=O)CCCCCCSCCC(C)C 62a_100009815986_100000210312 [0,2,0,0,0,0|1,0,0]=3 9818 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100009815986_100012276601 [0,2,0,0,0,0|1,0,0]=3 9819 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100012276601_100009815986 [0,2,0,0,0,0|1,0,0]=3 9820 B15R0.247 COC(=O)CCCCCCSCCN(C)C 62a_100009815986_100000755713 [0,2,0,0,0,0|2,0,0]=4 9821 B15R0.247 COC(=O)CCCCCCSCOC(C)C 62a_100000709892_100009815986 [0,2,0,0,0,0|2,0,0]=4 9822 B15R0.247 COC(=O)CCCCCCSCOC(C)C 62a_100009815986_100000709892 [0,2,0,0,0,0|2,0,0]=4 9823 B15R0.247 COC(=O)CCCCCNCCCC(C)C 2230a_200000737386_100009816466 [0,2,0,0,0,0|1,0,0]=3 9824 B15R0.247 COC(=O)CCCCCNCCCC(C)C 34a_200000737386_100009816466 [0,2,0,0,0,0|1,0,0]=3 9825 B15R0.247 COC(=O)CCCCCNCCCS(=O)C 2230a_200000753449_100009816466 [0,2,0,0,0,0|2,0,0]=4 9826 B15R0.247 COC(=O)CCCCCNCCOC(C)C 2230a_100000701111_100009816466 [0,2,0,0,0,0|2,0,0]=4 9827 B15R0.247 COC(=O)CCCCCNCCOC(C)C 34a_100000701111_100009816466 [0,2,0,0,0,0|2,0,0]=4 9828 B15R0.247 COC(=O)CCCCCNCCSC(C)C 2230a_100000731138_100009816466 [0,2,0,0,0,0|2,0,0]=4 9829 B15R0.247 COC(=O)CCCCCNCCSC(C)C 34a_100000731138_100009816466 [0,2,0,0,0,0|2,0,0]=4 9830 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 34a_100000074720_100000685027 [0,2,0,0,0,0|1,0,1]=4 9831 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 34a_100000759063_100009816466 [0,2,0,0,0,0|1,0,1]=4 9832 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 7a_100000074720_100011215641 [0,2,0,0,0,0|1,0,1]=4 9833 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 7a_100000759063_100009816466 [0,2,0,0,0,0|1,0,1]=4 9834 B15R0.247 COC(=O)CCCCCOCCCC(C)C 34a_100000074720_100011214892 [0,2,0,0,0,0|1,0,0]=3 9835 B15R0.247 COC(=O)CCCCCOCCCC(C)C 34a_100000210774_100009816466 [0,2,0,0,0,0|1,0,0]=3 9836 B15R0.247 COC(=O)CCCCCOCCCC(C)C 7a_100000074720_100011214892 [0,2,0,0,0,0|1,0,0]=3 9837 B15R0.247 COC(=O)CCCCCOCCCC(C)C 7a_100000210774_100009816466 [0,2,0,0,0,0|1,0,0]=3 9838 B15R0.247 COC(=O)CCCCCOCCCC(C)O 34a_100000074720_200000718107 [0,2,0,0,0,0|1,0,0]=3 9839 B15R0.247 COC(=O)CCCCCOCCCC(C)O 7a_100000074720_200000718107 [0,2,0,0,0,0|1,0,0]=3 9840 B15R0.247 COC(=O)CCCCCOCCCN(C)C 7a_100000074720_100000757444 [0,2,0,0,0,0|2,0,0]=4 9841 B15R0.247 COC(=O)CCCCCOCCNC(C)C 34a_100000224655_100009816466 [0,2,0,0,0,0|2,0,0]=4 9842 B15R0.247 COC(=O)CCCCCOCCOC(C)C 34a_100000074720_100000211751 [0,2,0,0,0,0|2,0,0]=4 9843 B15R0.247 COC(=O)CCCCCOCCOC(C)C 34a_100000211219_100009816466 [0,2,0,0,0,0|2,0,0]=4 9844 B15R0.247 COC(=O)CCCCCOCCOC(C)C 7a_100000074720_100000211751 [0,2,0,0,0,0|2,0,0]=4 9845 B15R0.247 COC(=O)CCCCCOCCOC(C)C 7a_100000211219_100009816466 [0,2,0,0,0,0|2,0,0]=4 9846 B15R0.247 COC(=O)CCCCCOCCSC(C)C 34a_100000074720_100000730970 [0,2,0,0,0,0|2,0,0]=4 9847 B15R0.247 COC(=O)CCCCCOCCSC(C)C 34a_200011212901_100009816466 [0,2,0,0,0,0|2,0,0]=4 9848 B15R0.247 COC(=O)CCCCCOCCSC(C)C 7a_100000074720_100000730970 [0,2,0,0,0,0|2,0,0]=4 9849 B15R0.247 COC(=O)CCCCCOCCSC(C)C 7a_200011212901_100009816466 [0,2,0,0,0,0|2,0,0]=4 9850 B15R0.247 COC(=O)CCCCCSCCCC(=O)C 62a_100009816466_100011215641 [0,2,0,0,0,0|1,0,1]=4 9851 B15R0.247 COC(=O)CCCCCSCCCC(=O)C 62a_100011215641_100009816466 [0,2,0,0,0,0|1,0,1]=4 9852 B15R0.247 COC(=O)CCCCCSCCCC(C)C 62a_100009816466_100011214892 [0,2,0,0,0,0|1,0,0]=3 9853 B15R0.247 COC(=O)CCCCCSCCCC(C)C 62a_100011214892_100009816466 [0,2,0,0,0,0|1,0,0]=3 9854 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_100009816466_200000718107 [0,2,0,0,0,0|1,0,0]=3 9855 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_200000718107_100009816466 [0,2,0,0,0,0|1,0,0]=3 9856 B15R0.247 COC(=O)CCCCCSCCCN(C)C 62a_100009816466_100000757444 [0,2,0,0,0,0|2,0,0]=4 9857 B15R0.247 COC(=O)CCCCCSCCOC(C)C 62a_100000211751_100009816466 [0,2,0,0,0,0|2,0,0]=4 9858 B15R0.247 COC(=O)CCCCCSCCOC(C)C 62a_100009816466_100000211751 [0,2,0,0,0,0|2,0,0]=4 9859 B15R0.247 COC(=O)CCCCCSCCSC(C)C 62a_100000730970_100009816466 [0,2,0,0,0,0|2,0,0]=4 9860 B15R0.247 COC(=O)CCCCCSCCSC(C)C 62a_100009816466_100000730970 [0,2,0,0,0,0|2,0,0]=4 9861 B15R0.247 COC(=O)CCCCNCCCOC(C)C 2230a_100000737246_100000204269 [0,2,0,0,0,0|2,0,0]=4 9862 B15R0.247 COC(=O)CCCCNCCCOC(C)C 34a_100000737246_100000204269 [0,2,0,0,0,0|2,0,0]=4 9863 B15R0.247 COC(=O)CCCCOCCCCC(=O)C 34a_100000059025_100009817362 [0,2,0,0,0,0|1,0,1]=4 9864 B15R0.247 COC(=O)CCCCOCCCCC(=O)C 7a_100000059025_100000735457 [0,2,0,0,0,0|1,0,1]=4 9865 B15R0.247 COC(=O)CCCCOCCCCC(C)C 34a_100000059025_100011216152 [0,2,0,0,0,0|1,0,0]=3 9866 B15R0.247 COC(=O)CCCCOCCCCC(C)C 34a_100011214890_100000204269 [0,2,0,0,0,0|1,0,0]=3 9867 B15R0.247 COC(=O)CCCCOCCCCC(C)C 7a_100000059025_100011216152 [0,2,0,0,0,0|1,0,0]=3 9868 B15R0.247 COC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000204269 [0,2,0,0,0,0|1,0,0]=3 9869 B15R0.247 COC(=O)CCCCOCCCNC(C)C 34a_100000182298_100000204269 [0,2,0,0,0,0|2,0,0]=4 9870 B15R0.247 COC(=O)CCCCOCCNCC(C)C 34a_100015185251_100000204269 [0,2,0,0,0,0|2,0,0]=4 9871 B15R0.247 COC(=O)CCCCOCCOCC(C)C 34a_100000703358_100000204269 [0,2,0,0,0,0|2,0,0]=4 9872 B15R0.247 COC(=O)CCCCOCCOCC(C)C 7a_100000703358_100000204269 [0,2,0,0,0,0|2,0,0]=4 9873 B15R0.247 COC(=O)CCCCOCCSCC(C)C 34a_200000230437_100000204269 [0,2,0,0,0,0|2,0,0]=4 9874 B15R0.247 COC(=O)CCCCOCCSCC(C)C 7a_200000230437_100000204269 [0,2,0,0,0,0|2,0,0]=4 9875 B15R0.247 COC(=O)CCCCSCCCCC(=O)C 62a_100000204269_100000735457 [0,2,0,0,0,0|1,0,1]=4 9876 B15R0.247 COC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000204269 [0,2,0,0,0,0|1,0,1]=4 9877 B15R0.247 COC(=O)CCCCSCCCCC(C)C 62a_100000204269_100011216152 [0,2,0,0,0,0|1,0,0]=3 9878 B15R0.247 COC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000204269 [0,2,0,0,0,0|1,0,0]=3 9879 B15R0.247 COC(=O)CCCCSCCCCN(C)C 62a_100000204269_100000690147 [0,2,0,0,0,0|2,0,0]=4 9880 B15R0.247 COC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100011218270 [0,2,0,0,0,0|1,0,0]=3 9881 B15R0.247 COC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000742333 [0,2,0,0,0,0|1,0,0]=3 9882 B15R0.247 COC(=O)CCCNCCCOCC(C)C 2230a_100000205972_100011218270 [0,2,0,0,0,0|2,0,0]=4 9883 B15R0.247 COC(=O)CCCNCCCOCC(C)C 34a_100000205972_100000742333 [0,2,0,0,0,0|2,0,0]=4 9884 B15R0.247 COC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000742333 [0,2,0,0,0,0|1,0,0]=3 9885 B15R0.247 COC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011218270 [0,2,0,0,0,0|1,0,0]=3 9886 B15R0.247 COC(=O)CCCOCCCCNC(C)C 34a_100011521146_100000742333 [0,2,0,0,0,0|2,0,0]=4 9887 B15R0.247 COC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011218270 [0,2,0,0,0,0|1,0,0]=3 9888 B15R0.247 COC(=O)CCCSCCCCCC(C)C 62a_100011218270_100000210682 [0,2,0,0,0,0|1,0,0]=3 9889 B15R0.247 COC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100000204255 [0,2,0,0,0,0|1,0,0]=3 9890 B15R0.247 COC(=O)CCNCCCCCCC(C)C 34a_100000211014_100000742370 [0,2,0,0,0,0|1,0,0]=3 9891 B15R0.247 COC(=O)CCOCCCCCNC(C)C 34a_100011629493_100000742370 [0,2,0,0,0,0|2,0,0]=4 9892 B15R0.247 COC(=O)COCCCCCCCC(C)C 34a_200000210741_100000747449 [0,2,0,0,0,0|1,0,0]=3 9893 B15R0.247 COC(=O)COCCCCCCCC(C)C 7a_200000210741_100000747449 [0,2,0,0,0,0|1,0,0]=3 9894 B15R0.247 COC(=O)COCCOCCCCC(C)C 34a_100011214890_100000090808 [0,2,0,0,0,0|2,0,0]=4 9895 B15R0.247 COC(=O)COCCOCCCCC(C)C 7a_100011214890_100000090808 [0,2,0,0,0,0|2,0,0]=4 9896 B15R0.247 COC(=O)COCCSCCCCC(C)C 62a_100000090808_100011216152 [0,2,0,0,0,0|2,0,0]=4 9897 B15R0.247 COC(=O)COCCSCCCCC(C)C 62a_100011216152_100000090808 [0,2,0,0,0,0|2,0,0]=4 9898 B15R0.247 COC(=O)NCCOCCCCCC(C)C 34a_100000757965_100000210682 [0,2,0,0,0,0|2,0,0]=4 9899 B15R0.247 COC(=O)OCCOCCCCCC(C)C 34a_100010262106_100000210682 [0,2,0,0,0,0|2,0,0]=4 9900 B15R0.247 C[C@@H](CN)CCCOCCCCCC(=O)N 34a_100160569302_100009817443 [0,2,0,0,0,0|2,0,0]=4 9901 B15R0.2662 CC(=O)CCCCCCCCCC(F)(F)F 1458a_100000070787_200041927475 [0,2,0,0,0,0|2,0,0]=4 9902 B15R0.2662 CC(=O)CCCOCCCCCC(C)(C)O 34a_100000759063_100010402123 [0,2,0,0,0,0|2,0,0]=4 9903 B15R0.2662 CC(=O)CCCOCCCCCC(C)(C)O 7a_100000759063_100010402123 [0,2,0,0,0,0|2,0,0]=4 9904 B15R0.2662 CC(=O)CCCSCCCCCC(C)(C)O 62a_100010402123_100011215641 [0,2,0,0,0,0|2,0,0]=4 9905 B15R0.2662 CC(=O)CCCSCCCCCC(C)(C)O 62a_100011215641_100010402123 [0,2,0,0,0,0|2,0,0]=4 9906 B15R0.2662 CC(C)(O)CCCCCNCCCC(=O)N 34a_100000739312_100010402123 [0,2,0,0,0,0|2,0,0]=4 9907 B15R0.2662 CC(C)(O)CCCCCSCCCC(=O)N 62a_100010402123_100102525003 [0,2,0,0,0,0|2,0,0]=4 9908 B15R0.2662 CC(C)(O)CCCCCSCCCC(=O)N 62a_100102525003_100010402123 [0,2,0,0,0,0|2,0,0]=4 9909 B15R0.2662 CC(C)(O)CCCOCCCCCC(=O)N 34a_100000123541_100009888830 [0,2,0,0,0,0|2,0,0]=4 9910 B15R0.2662 CC(C)(O)CCCOCCCCCC(=O)N 7a_100000123541_100009888830 [0,2,0,0,0,0|2,0,0]=4 9911 B15R0.2662 CC(C)(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100009888830 [0,2,0,0,0,0|1,0,1]=4 9912 B15R0.2662 CC(C)(O)CCCSCCCCCC(=O)N 62a_100009817443_100009888830 [0,2,0,0,0,0|2,0,0]=4 9913 B15R0.2662 CC(C)(O)CCCSCCCCCC(=O)N 62a_100009888830_100009817443 [0,2,0,0,0,0|2,0,0]=4 9914 B15R0.2702 CC(=O)C(C)OCCCCCCCC(C)C 7a_200000210741_100000179758 [0,2,0,0,0,0|2,0,0]=4 9915 B15R0.2702 CC(C)C(N)CCOCCCCCC(=O)N 34a_100161115045_100009817443 [0,2,0,0,0,0|2,0,0]=4 9916 B15R0.2702 CC(C)CCCCCCCOC(C)C(=O)N 34a_200000210741_100000702099 [0,2,0,0,0,0|2,0,0]=4 9917 B15R0.2702 CC(C)CCCCCCCOC(C)C(=O)N 7a_200000210741_100000702099 [0,2,0,0,0,0|2,0,0]=4 9918 B15R0.2702 CC(C)CCCCCCCOC(F)C(=O)N 34a_200000210741_100009813875 [0,2,0,0,0,0|2,0,0]=4 9919 B15R0.2702 CC(C)CCCCCCCOC(F)C(=O)N 7a_200000210741_100009813875 [0,2,0,0,0,0|2,0,0]=4 9920 B15R0.2702 CC(C)CCCCCCCOC(F)C(=O)[O-] 34a_200000210741_100020610796 [0,2,0,0,0,0|1,0,1]=4 9921 B15R0.2704 CC(C)CCC(C)NCCCCCC(=O)N 2230a_100138410893_100009817443 [0,2,0,0,0,0|2,0,0]=4 9922 B15R0.2704 CC(C)CCC(C)OCCCCCC(=O)N 34a_100000123541_100011261404 [0,2,0,0,0,0|2,0,0]=4 9923 B15R0.2704 CC(C)CCC(C)OCCCCCC(=O)N 34a_100011215350_100009817443 [0,2,0,0,0,0|2,0,0]=4 9924 B15R0.2704 CC(C)CCC(C)OCCCCCC(=O)N 7a_100011215350_100009817443 [0,2,0,0,0,0|2,0,0]=4 9925 B15R0.2704 CC(C)CCC(C)SCCCCCC(=O)N 62a_100009817443_100011261404 [0,2,0,0,0,0|2,0,0]=4 9926 B15R0.2704 CC(C)CCC(C)SCCCCCC(=O)N 62a_100011261404_100009817443 [0,2,0,0,0,0|2,0,0]=4 9927 B15R0.5184 CC(=O)CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000735457 [0,2,0,0,0,0|1,0,1]=4 9928 B15R0.252 CCCCCCCCCCCNS(=O)(=O)C 40a_200011215754_100000738038 [0,2,0,0,0,0|1,0,1]=4 9929 B15R0.252 CCCCCCCCCCNCC(C)(C)O 2230a_100000751335_100000210320 [0,2,0,0,0,0|1,0,1]=4 9930 B15R0.252 CCCCCCCCCCNCC(C)(C)O 34a_100000684558_100000764493 [0,2,0,0,0,0|1,0,1]=4 9931 B15R0.252 CCCCCCCCCCNCS(=O)(=O)[O-] 34a_100000684558_100009817235 [0,2,0,0,0,0|1,0,1]=4 9932 B15R0.252 CCCCCCCCCCOCC(C)(C)O 34a_100000210711_100000764493 [0,2,0,0,0,0|1,0,1]=4 9933 B15R0.252 CCCCCCCCCCOCC(C)(C)O 7a_100000210711_100000764493 [0,2,0,0,0,0|1,0,1]=4 9934 B15R0.252 CCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210711_100009817235 [0,2,0,0,0,0|1,0,1]=4 9935 B15R0.252 CCCCCCCCCCSCC(C)(C)O 62a_100000764493_100000210320 [0,2,0,0,0,0|1,0,1]=4 9936 B15R0.252 CCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210320 [0,2,0,0,0,0|1,0,1]=4 9937 B15R0.252 CCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210320 [0,2,0,0,0,0|1,0,1]=4 9938 B15R0.252 CCCCCCCCCNCCC(C)(C)O 2230a_100000212291_100000702414 [0,2,0,0,0,0|1,0,1]=4 9939 B15R0.252 CCCCCCCCCNCCC(C)(C)O 34a_100000212291_100000702414 [0,2,0,0,0,0|1,0,1]=4 9940 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 2230a_100000212291_100000731031 [0,2,0,0,0,0|1,0,1]=4 9941 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011214924 [0,2,0,0,0,0|1,0,1]=4 9942 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 34a_100000212291_100000731031 [0,2,0,0,0,0|1,0,1]=4 9943 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100011214924 [0,2,0,0,0,0|1,0,1]=4 9944 B15R0.252 CCCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100011214924 [0,2,0,0,0,0|1,0,1]=4 9945 B15R0.252 CCCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100011214924 [0,2,0,0,0,0|1,0,1]=4 9946 B15R0.252 CCCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000212291_100000737633 [0,2,0,0,0,0|1,0,1]=4 9947 B15R0.252 CCCCCCCCCNCCS(=O)(=O)[O-] 34a_100000212291_100000762736 [0,2,0,0,0,0|1,0,1]=4 9948 B15R0.252 CCCCCCCCCOCCC(C)(C)O 34a_100000210712_100000702414 [0,2,0,0,0,0|1,0,1]=4 9949 B15R0.252 CCCCCCCCCOCCC(C)(C)O 7a_100000210712_100000702414 [0,2,0,0,0,0|1,0,1]=4 9950 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 34a_100000210712_100000731031 [0,2,0,0,0,0|1,0,1]=4 9951 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100011214924 [0,2,0,0,0,0|1,0,1]=4 9952 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 7a_100000210712_100000230027 [0,2,0,0,0,0|1,0,1]=4 9953 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210328 [0,2,0,0,0,0|1,0,1]=4 9954 B15R0.252 CCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100011214924 [0,2,0,0,0,0|1,0,1]=4 9955 B15R0.252 CCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210712_100000762736 [0,2,0,0,0,0|1,0,1]=4 9956 B15R0.252 CCCCCCCCCSCCC(C)(C)O 62a_100000702414_100000210670 [0,2,0,0,0,0|1,0,1]=4 9957 B15R0.252 CCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210670 [0,2,0,0,0,0|1,0,1]=4 9958 B15R0.252 CCCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210670 [0,2,0,0,0,0|1,0,1]=4 9959 B15R0.252 CCCCCCCCNCCCC(C)(C)O 2230a_100000229939_100009888830 [0,2,0,0,0,0|1,0,1]=4 9960 B15R0.252 CCCCCCCCNCCCC(C)(C)O 34a_100000229939_100009888830 [0,2,0,0,0,0|1,0,1]=4 9961 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 2230a_100000229939_100000754308 [0,2,0,0,0,0|1,0,1]=4 9962 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210759 [0,2,0,0,0,0|1,0,1]=4 9963 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 34a_100000229939_100000754308 [0,2,0,0,0,0|1,0,1]=4 9964 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210759 [0,2,0,0,0,0|1,0,1]=4 9965 B15R0.252 CCCCCCCCNCCCS(=O)(=O)N 2230a_100000229939_100000750626 [0,2,0,0,0,0|1,0,1]=4 9966 B15R0.252 CCCCCCCCNCCCS(=O)(=O)N 34a_100000229939_100000750626 [0,2,0,0,0,0|1,0,1]=4 9967 B15R0.252 CCCCCCCCNCCCS(=O)(=O)[O-] 34a_100000229939_100009813499 [0,2,0,0,0,0|1,0,1]=4 9968 B15R0.252 CCCCCCCCOCCCC(C)(C)O 34a_100000210232_100009888830 [0,2,0,0,0,0|1,0,1]=4 9969 B15R0.252 CCCCCCCCOCCCC(C)(C)O 7a_100000210232_100009888830 [0,2,0,0,0,0|1,0,1]=4 9970 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 34a_100000210232_100000754308 [0,2,0,0,0,0|1,0,1]=4 9971 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210759 [0,2,0,0,0,0|1,0,1]=4 9972 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 7a_100000210232_100000754308 [0,2,0,0,0,0|1,0,1]=4 9973 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210759 [0,2,0,0,0,0|1,0,1]=4 9974 B15R0.252 CCCCCCCCOCCCS(=O)(=O)N 34a_100000210232_100000750626 [0,2,0,0,0,0|1,0,1]=4 9975 B15R0.252 CCCCCCCCOCCCS(=O)(=O)N 7a_100000210232_100000750626 [0,2,0,0,0,0|1,0,1]=4 9976 B15R0.252 CCCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210232_100009813499 [0,2,0,0,0,0|1,0,1]=4 9977 B15R0.252 CCCCCCCCSCCCC(C)(C)O 62a_100000210759_100009888830 [0,2,0,0,0,0|1,0,1]=4 9978 B15R0.252 CCCCCCCCSCCCC(C)(C)O 62a_100009888830_100000210317 [0,2,0,0,0,0|1,0,1]=4 9979 B15R0.252 CCCCCCCCSCCCS(=O)(=O)C 62a_100000210759_100000754308 [0,2,0,0,0,0|1,0,1]=4 9980 B15R0.252 CCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210317 [0,2,0,0,0,0|1,0,1]=4 9981 B15R0.252 CCCCCCCCSCCCS(=O)(=O)N 62a_100000210759_100000750626 [0,2,0,0,0,0|1,0,1]=4 9982 B15R0.252 CCCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210317 [0,2,0,0,0,0|1,0,1]=4 9983 B15R0.252 CCCCCCCCSCCCS(=O)(=O)[O-] 62a_100000210759_100009813499 [0,2,0,0,0,0|1,0,1]=4 9984 B15R0.252 CCCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210317 [0,2,0,0,0,0|1,0,1]=4 9985 B15R0.252 CCCCCCNCCCCCC(C)(C)O 2230a_100000210581_100010402123 [0,2,0,0,0,0|1,0,1]=4 9986 B15R0.252 CCCCCCOCCCCCC(C)(C)O 34a_100000210259_100010402123 [0,2,0,0,0,0|1,0,1]=4 9987 B15R0.252 CCCCCCOCCCCCC(C)(C)O 7a_100000210259_100010402123 [0,2,0,0,0,0|1,0,1]=4 9988 B15R0.252 CCCCCCSCCCCCC(C)(C)O 62a_100000210314_100010402123 [0,2,0,0,0,0|1,0,1]=4 9989 B15R0.252 CCCCCCSCCCCCC(C)(C)O 62a_100010402123_100000210757 [0,2,0,0,0,0|1,0,1]=4 9990 B15R0.50 CCCCC(C)C(=O)CCCCCC(=O)N 1458a_100000725509_100009817443 [0,2,0,0,0,0|1,0,1]=4 9991 B15R0.50 CCCCC(O)C(=O)CCCCCC(=O)N 1458a_100000720857_100009817443 [0,2,0,0,0,0|1,0,1]=4 9992 B15R0.99 CCC(C)CC(C)NCCCCCC(=O)N 2230a_100000763565_100009817443 [0,2,0,0,0,0|2,0,0]=4 9993 B15R0.209 CCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210211 [0,2,0,0,0,0|0,0,1]=3 9994 B15R0.209 CCCCC(=O)CCCCCCC(=O)OC 1458a_100000210183_100009815986 [0,2,0,0,0,0|0,0,1]=3 9995 B15R0.209 CCCCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000210183 [0,2,0,0,0,0|1,0,1]=4 9996 B15R0.209 CCCCC(C)CCCCOCC(=O)CC 7a_200011021034_100000747405 [0,2,0,0,0,0|2,0,0]=4 9997 B15R0.209 CCCCC(C)CCCCOCC(=O)NC 34a_200011021034_100000183359 [0,2,0,0,0,0|2,0,0]=4 9998 B15R0.209 CCCCC(C)CCCCOCC(=O)NC 7a_200011021034_100000183359 [0,2,0,0,0,0|2,0,0]=4 9999 B15R0.209 CCCCC(C)CCCCOCC(=O)OC 34a_200011021034_100000747449 [0,2,0,0,0,0|1,0,0]=3 10000 B15R0.209 CCCCC(C)CCCCOCC(=O)OC 7a_200011021034_100000747449 [0,2,0,0,0,0|1,0,0]=3 10001 B15R0.209 CCCCC(C)COCCCCC(=O)OC 34a_100011995851_100000204269 [0,2,0,0,0,0|1,0,0]=3 10002 B15R0.209 CCCCC(C)COCCCCC(=O)OC 7a_100011995851_100000204269 [0,2,0,0,0,0|1,0,0]=3 10003 B15R0.209 CCCCC(C)COCCOCC(=O)OC 34a_100011995851_100000090808 [0,2,0,0,0,0|2,0,0]=4 10004 B15R0.209 CCCCC(C)COCCOCC(=O)OC 7a_100011995851_100000090808 [0,2,0,0,0,0|2,0,0]=4 10005 B15R0.209 CCCCC(C)NCCCCCC(=O)OC 2230a_100000126638_100009816466 [0,2,0,0,0,0|1,0,0]=3 10006 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 34a_100000074720_200011215066 [0,2,0,0,0,0|1,0,0]=3 10007 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 34a_100000687866_100009816466 [0,2,0,0,0,0|1,0,0]=3 10008 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 7a_100000074720_200011215066 [0,2,0,0,0,0|1,0,0]=3 10009 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 7a_100000687866_100009816466 [0,2,0,0,0,0|1,0,0]=3 10010 B15R0.209 CCCCC(C)SCCCCCC(=O)OC 62a_100009816466_200011215066 [0,2,0,0,0,0|1,0,0]=3 10011 B15R0.209 CCCCC(C)SCCCCCC(=O)OC 62a_200011215066_100009816466 [0,2,0,0,0,0|1,0,0]=3 10012 B15R0.209 CCCCN(C)CCCCCCC(=O)OC 2230a_100000207549_100009815986 [0,2,0,0,0,0|1,0,0]=3 10013 B15R0.209 CCCCN(C)CCCCCCC(=O)OC 269982a_100000207549_100009815986 [0,2,0,0,0,0|1,0,0]=3 10014 B15R0.209 CCCC[C@H](N)COCCCCC(=O)OC 34a_100011934283_100000204269 [0,2,0,0,0,0|1,0,0]=3 10015 B15R0.209 CCCC[C@H](N)COCCOCC(=O)OC 34a_100011934283_100000090808 [0,2,0,0,0,0|2,0,0]=4 10016 B15R0.209 CCCNC(=O)CCCCCCC(=O)OC 11a_100020643023_100000036694 [0,2,0,0,0,0|1,0,1]=4 10017 B15R0.209 CCCNC(=O)CCCCCCC(=O)OC 1626a_100020643023_100000036694 [0,2,0,0,0,0|1,0,1]=4 10018 B15R0.209 CCCNC(=O)CCCCCCC(=O)OC 240690a_100020643023_100000036694 [0,2,0,0,0,0|1,0,1]=4 10019 B15R0.209 CCCOC(C)CNCCCCC(=O)OC 2230a_100015185124_100000204269 [0,2,0,0,0,0|2,0,0]=4 10020 B15R0.209 CCCOC(C)CNCCCCC(=O)OC 34a_100015185124_100000204269 [0,2,0,0,0,0|2,0,0]=4 10021 B15R0.209 CCOCC(=O)CCCCCCC(=O)OC 1458a_100000211967_100009815986 [0,2,0,0,0,0|1,0,1]=4 10022 B15R0.209 CCOCC(C)OCCCCCC(=O)OC 34a_100000718985_100009816466 [0,2,0,0,0,0|2,0,0]=4 10023 B15R0.209 CCOCC(C)OCCCCCC(=O)OC 7a_100000718985_100009816466 [0,2,0,0,0,0|2,0,0]=4 10024 B15R0.209 CCOCC(O)CNCCCCC(=O)OC 2230a_102515437182_100000204269 [0,2,0,0,0,0|2,0,0]=4 10025 B15R0.209 CCOCC(O)CNCCCCC(=O)OC 34a_102515437182_100000204269 [0,2,0,0,0,0|2,0,0]=4 10026 B15R0.209 CCSCC(=O)CCCCCCC(=O)OC 1458a_100000230394_100009815986 [0,2,0,0,0,0|1,0,1]=4 10027 B15R0.209 COC(=O)CCCCCCC(=O)CCCF 1458a_100000036694_100011934791 [0,2,0,0,0,0|1,0,1]=4 10028 B15R0.209 COC(=O)CCCCCCC(=O)CCCO 1458a_100000036694_100011215043 [0,2,0,0,0,0|1,0,1]=4 10029 B15R0.209 COC(=O)CCCCCCC(=O)CCSC 1458a_100000036694_100000751147 [0,2,0,0,0,0|1,0,1]=4 10030 B15R0.209 COC(=O)CCCCCCC(=O)CCSC 1458a_100000174002_100009815986 [0,2,0,0,0,0|1,0,1]=4 10031 B15R0.209 COC(=O)CCCCCCN(C)CCCO 2230a_100000213112_100009815986 [0,2,0,0,0,0|2,0,0]=4 10032 B15R0.209 COC(=O)CCCCCCN(C)CCCO 269982a_100000213112_100009815986 [0,2,0,0,0,0|2,0,0]=4 10033 B15R0.209 COC(=O)CCCCCCN(C)CCSC 2230a_100000686725_100009815986 [0,2,0,0,0,0|2,0,0]=4 10034 B15R0.209 COC(=O)CCCCCCN(C)CCSC 269982a_100000686725_100009815986 [0,2,0,0,0,0|2,0,0]=4 10035 B15R0.209 COC(=O)CCCCCOC(C)CCCCl 34a_200000718107_100009816466 [0,2,0,0,0,0|2,0,0]=4 10036 B15R0.209 COC(=O)CCCCCOC(C)CCCCl 7a_200000718107_100009816466 [0,2,0,0,0,0|2,0,0]=4 10037 B15R0.209 COC(=O)CCCCNC[C@H](C)CCCO 2230a_100160569302_100000204269 [0,2,0,0,0,0|2,0,0]=4 10038 B15R0.209 COC(=O)CCCCNC[C@H](C)CCCO 34a_100160569302_100000204269 [0,2,0,0,0,0|2,0,0]=4 10039 B15R0.209 COC(=O)CCCCOC[C@@H](N)CCSC 34a_100011827619_100000204269 [0,2,0,0,0,0|2,0,0]=4 10040 B15R0.209 COCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000233755 [0,2,0,0,0,0|1,0,1]=4 10041 B15R0.209 COCCC(=O)CCCCCCC(=O)OC 1458a_100000749529_100009815986 [0,2,0,0,0,0|1,0,1]=4 10042 B15R0.209 COCCN(C)CCCCCCC(=O)OC 2230a_100000743101_100009815986 [0,2,0,0,0,0|2,0,0]=4 10043 B15R0.209 COCCN(C)CCCCCCC(=O)OC 269982a_100000743101_100009815986 [0,2,0,0,0,0|2,0,0]=4 10044 B15R0.214 CCCCC(C)CCCCOC(C)C(=O)C 7a_200011021034_100000179758 [0,2,0,0,0,0|2,0,0]=4 10045 B15R0.214 CCCCC(C)CCCCOC(C)C(=O)N 34a_200011021034_100000702099 [0,2,0,0,0,0|2,0,0]=4 10046 B15R0.214 CCCCC(C)CCCCOC(C)C(=O)N 7a_200011021034_100000702099 [0,2,0,0,0,0|2,0,0]=4 10047 B15R0.214 CCCCC(C)CCCCOC(F)C(=O)N 34a_200011021034_100009813875 [0,2,0,0,0,0|2,0,0]=4 10048 B15R0.214 CCCCC(C)CCCCOC(F)C(=O)N 7a_200011021034_100009813875 [0,2,0,0,0,0|2,0,0]=4 10049 B15R0.214 CCCCC(C)CCCCOC(F)C(=O)[O-] 34a_200011021034_100020610796 [0,2,0,0,0,0|1,0,1]=4 10050 B15R0.234 CC(=O)CCCCOC[C@@H](N)CCCCN 34a_100016993712_100009817362 [0,2,0,0,0,0|2,0,0]=4 10051 B15R0.234 CCCCCC(=O)CCCCCCB(O)O 1458a_100000212188_100009817187 [0,2,0,0,0,0|1,0,1]=4 10052 B15R0.234 CCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210326 [0,2,0,0,0,0|1,0,1]=4 10053 B15R0.234 CCCCCC(=O)CCCCCOC(=O)C 1458a_100000212188_100000033007 [0,2,0,0,0,0|1,0,1]=4 10054 B15R0.234 CCCCCC(=O)CNCCCCC(=O)N 34a_100000696515_200012276598 [0,2,0,0,0,0|1,0,1]=4 10055 B15R0.234 CCCCCC(=O)CNCCOCC(=O)O 269956a_100000700818_200012276598 [0,2,0,0,0,0|1,0,1]=4 10056 B15R0.234 CCCCCC(=O)COCCCCC(=O)N 34a_100012022536_200012276598 [0,2,0,0,0,0|1,0,1]=4 10057 B15R0.234 CCCCCC(=O)COCCCCC(=O)N 7a_100012022536_200012276598 [0,2,0,0,0,0|1,0,1]=4 10058 B15R0.234 CCCCCC(=O)CSCCCCC(=O)C 62a_100000735457_200012276598 [0,2,0,0,0,0|1,0,1]=4 10059 B15R0.234 CCCCCC(=O)CSCCCCC(=O)C 62a_200012276598_100000735457 [0,2,0,0,0,0|1,0,1]=4 10060 B15R0.234 CCCCCC(C)NCCCCCB(O)O 2230a_100000211957_200009817188 [0,2,0,0,0,0|1,0,1]=4 10061 B15R0.234 CCCCCC(C)NCCCCCC(=O)N 2230a_100000211957_100009817443 [0,2,0,0,0,0|1,0,0]=3 10062 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011218191 [0,2,0,0,0,0|2,0,0]=4 10063 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000211708 [0,2,0,0,0,0|2,0,0]=4 10064 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011218191 [0,2,0,0,0,0|2,0,0]=4 10065 B15R0.234 CCCCCC(C)NCCCCSC(=O)C 2230a_100000211957_200010402107 [0,2,0,0,0,0|2,0,0]=4 10066 B15R0.234 CCCCCC(C)OCCCCCB(O)O 34a_100011215632_200009817188 [0,2,0,0,0,0|1,0,1]=4 10067 B15R0.234 CCCCCC(C)OCCCCCB(O)O 7a_100011215632_200009817188 [0,2,0,0,0,0|1,0,1]=4 10068 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218191 [0,2,0,0,0,0|1,0,0]=3 10069 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100011215632_100009817443 [0,2,0,0,0,0|1,0,0]=3 10070 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218191 [0,2,0,0,0,0|1,0,0]=3 10071 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100011215632_100009817443 [0,2,0,0,0,0|1,0,0]=3 10072 B15R0.234 CCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218191 [0,2,0,0,0,0|0,0,1]=3 10073 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011218191 [0,2,0,0,0,0|2,0,0]=4 10074 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 34a_100011215632_100000033659 [0,2,0,0,0,0|2,0,0]=4 10075 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011218191 [0,2,0,0,0,0|2,0,0]=4 10076 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 7a_100011215632_100000033659 [0,2,0,0,0,0|2,0,0]=4 10077 B15R0.234 CCCCCC(C)OCCCCSC(=O)C 34a_100011215632_200010402107 [0,2,0,0,0,0|2,0,0]=4 10078 B15R0.234 CCCCCC(C)OCCCCSC(=O)C 7a_100011215632_200010402107 [0,2,0,0,0,0|2,0,0]=4 10079 B15R0.234 CCCCCC(C)SCCCCCB(O)O 62a_200009817188_200011218191 [0,2,0,0,0,0|1,0,1]=4 10080 B15R0.234 CCCCCC(C)SCCCCCB(O)O 62a_200011218191_200009817188 [0,2,0,0,0,0|1,0,1]=4 10081 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218191 [0,2,0,0,0,0|1,0,0]=3 10082 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_200011218191_100009817443 [0,2,0,0,0,0|1,0,0]=3 10083 B15R0.234 CCCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011218191 [0,2,0,0,0,0|2,0,0]=4 10084 B15R0.234 CCCCCC(C)SCCCCOC(=O)C 62a_200011218191_100000033659 [0,2,0,0,0,0|2,0,0]=4 10085 B15R0.234 CCCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011218191 [0,2,0,0,0,0|2,0,0]=4 10086 B15R0.234 CCCCCC(C)SCCCCSC(=O)C 62a_200011218191_200010402107 [0,2,0,0,0,0|2,0,0]=4 10087 B15R0.234 CCCCCN(C)CCCCCCB(O)O 2230a_100000223495_100009817187 [0,2,0,0,0,0|1,0,1]=4 10088 B15R0.234 CCCCCN(C)CCCCCCB(O)O 269982a_100000223495_100009817187 [0,2,0,0,0,0|1,0,1]=4 10089 B15R0.234 CCCCCN(C)CCCCCOC(=O)C 2230a_100000223495_100009813381 [0,2,0,0,0,0|2,0,0]=4 10090 B15R0.234 CCCCCN(C)CCCCCOC(=O)C 269982a_100000223495_100000033007 [0,2,0,0,0,0|2,0,0]=4 10091 B15R0.234 COCCCC(C)OCCCCCC(=O)N 34a_200011539412_100009817443 [0,2,0,0,0,0|2,0,0]=4 10092 B15R0.234 COCCCC(C)OCCCCCC(=O)N 7a_200011539412_100009817443 [0,2,0,0,0,0|2,0,0]=4 10093 B15R0.310 CCCC(C)C(C)OCCCCCC(=O)N 34a_100000708338_100009817443 [0,2,0,0,0,0|2,0,0]=4 10094 B15R0.310 CCCC(C)C(C)OCCCCCC(=O)N 7a_100000708338_100009817443 [0,2,0,0,0,0|2,0,0]=4 10095 B15R0.345 C#CC(CCCC)OCCCCCC(=O)N 34a_200011217967_100009817443 [0,2,0,0,0,0|2,0,0]=4 10096 B15R0.345 C#CC(CCCC)OCCCCCC(=O)N 7a_200011217967_100009817443 [0,2,0,0,0,0|2,0,0]=4 10097 B15R0.345 C=CC(CCCC)OCCCCCC(=O)N 34a_200011215037_100009817443 [0,2,0,0,0,0|2,0,0]=4 10098 B15R0.345 C=CC(CCCC)OCCCCCC(=O)N 7a_200011215037_100009817443 [0,2,0,0,0,0|2,0,0]=4 10099 B15R0.345 CCCCC(CC)CCCCNCC(=O)N 2230a_100000711301_200012094884 [0,2,0,0,0,0|2,0,0]=4 10100 B15R0.345 CCCCC(CC)CCCCNCC(=O)O 269956a_100016091260_200012094884 [0,2,0,0,0,0|1,0,0]=3 10101 B15R0.345 CCCCC(CC)CCCCOCC(=O)C 34a_100000211253_200012094884 [0,2,0,0,0,0|2,0,0]=4 10102 B15R0.345 CCCCC(CC)CCCCSCC(=O)N 62a_100000747473_200012094884 [0,2,0,0,0,0|2,0,0]=4 10103 B15R0.345 CCCCC(CC)CCCCSCC(=O)N 62a_200012094884_100000747473 [0,2,0,0,0,0|2,0,0]=4 10104 B15R0.345 CCCCC(CC)CCCCSCC(=O)[O-] 62a_100020667443_200012094884 [0,2,0,0,0,0|1,0,1]=4 10105 B15R0.345 CCCCC(CC)CCCCSCC(=O)[O-] 62a_200012094884_100020667443 [0,2,0,0,0,0|1,0,1]=4 10106 B15R0.345 CCCCC(CC)CNCCCCC(=O)N 269862a_100000696515_100011219736 [0,2,0,0,0,0|2,0,0]=4 10107 B15R0.345 CCCCC(CC)CNCCCCC(=O)N 270004a_100000696515_100011219736 [0,2,0,0,0,0|2,0,0]=4 10108 B15R0.345 CCCCC(CC)CNCCCCC(=O)N 34a_100000696515_100000211942 [0,2,0,0,0,0|2,0,0]=4 10109 B15R0.345 CCCCC(CC)CNCCOCC(=O)O 269956a_100000700818_100000211942 [0,2,0,0,0,0|2,0,0]=4 10110 B15R0.345 CCCCC(CC)COCCCCC(=O)C 34a_100000210273_100009817362 [0,2,0,0,0,0|2,0,0]=4 10111 B15R0.345 CCCCC(CC)COCCCCC(=O)C 7a_100000210273_100000735457 [0,2,0,0,0,0|2,0,0]=4 10112 B15R0.345 CCCCC(CC)COCCCCC(=O)N 34a_100012022536_100000211942 [0,2,0,0,0,0|2,0,0]=4 10113 B15R0.345 CCCCC(CC)COCCCCC(=O)N 7a_100012022536_100000211942 [0,2,0,0,0,0|2,0,0]=4 10114 B15R0.345 CCCCC(CC)CSCCCCC(=O)C 62a_100000211942_100000735457 [0,2,0,0,0,0|2,0,0]=4 10115 B15R0.345 CCCCC(CC)CSCCCCC(=O)C 62a_100000735457_100000211942 [0,2,0,0,0,0|2,0,0]=4 10116 B15R0.345 CCCCC(CC)OCCCCCC(=O)N 34a_100000123541_200011216223 [0,2,0,0,0,0|2,0,0]=4 10117 B15R0.345 CCCCC(CC)OCCCCCC(=O)N 34a_100011215227_100009817443 [0,2,0,0,0,0|2,0,0]=4 10118 B15R0.345 CCCCC(CC)OCCCCCC(=O)N 7a_100000123541_200011216223 [0,2,0,0,0,0|2,0,0]=4 10119 B15R0.345 CCCCC(CC)OCCCCCC(=O)N 7a_100011215227_100009817443 [0,2,0,0,0,0|2,0,0]=4 10120 B15R0.345 CCCCC(CC)OCCCCCC(=O)[O-] 7a_100102619762_200011216223 [0,2,0,0,0,0|1,0,1]=4 10121 B15R0.345 CCCCC(CC)SCCCCCC(=O)N 62a_100009817443_200011216223 [0,2,0,0,0,0|2,0,0]=4 10122 B15R0.345 CCCCC(CC)SCCCCCC(=O)N 62a_200011216223_100009817443 [0,2,0,0,0,0|2,0,0]=4 10123 B15R0.345 CCCC[C@@H](CO)NCCCCCC(=O)N 2230a_100011934283_100009817443 [0,2,0,0,0,0|2,0,0]=4 10124 B15R0.345 CCCC[C@@H](CO)NCCCCCC(=O)N 34a_100011934283_100009817443 [0,2,0,0,0,0|2,0,0]=4 10125 B15R0.3358 CCCCC(C)(C)COCCCCC(=O)C 7a_200011995781_100000735457 [0,2,0,0,0,0|2,0,0]=4 10126 B15R0.3358 CCCCC(C)(C)OCCCCCC(=O)N 7a_100011219641_100009817443 [0,2,0,0,0,0|2,0,0]=4 10127 B15R0.193 C=C(C)CCOCCC(C)CCCCCC 34a_200011024964_100000730704 [0,2,0,0,0,0|2,0,0]=4 10128 B15R0.193 C=C(C)CCOCCC(C)CCCCCC 7a_200011024964_100000730704 [0,2,0,0,0,0|2,0,0]=4 10129 B15R0.193 CCCCCCC(=O)CCCCCB(O)O 1458a_100102632555_200009817188 [0,2,0,0,0,0|1,0,1]=4 10130 B15R0.193 CCCCCCC(=O)CCCCCC(=O)N 1458a_100102632555_100009817443 [0,2,0,0,0,0|1,0,0]=3 10131 B15R0.193 CCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210757 [0,2,0,0,0,0|1,0,1]=4 10132 B15R0.193 CCCCCCC(=O)CCCCOC(=O)C 1458a_100102632555_100000033659 [0,2,0,0,0,0|1,0,1]=4 10133 B15R0.193 CCCCCCC(=O)CCCCSC(=O)C 1458a_100102632555_200010402107 [0,2,0,0,0,0|1,0,1]=4 10134 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 10135 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 10136 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 10137 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 10138 B15R0.193 CCCCCCC(C)CCOCCC(=O)C 7a_200011024964_100000053229 [0,2,0,0,0,0|1,0,0]=3 10139 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 34a_200011024964_100000731001 [0,2,0,0,0,0|1,0,0]=3 10140 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 7a_200011024964_100000744528 [0,2,0,0,0,0|1,0,0]=3 10141 B15R0.193 CCCCCCC(C)CCOCCC(C)O 34a_200011024964_100012276601 [0,2,0,0,0,0|1,0,1]=4 10142 B15R0.193 CCCCCCC(C)CCOCCC(C)O 7a_200011024964_100012276601 [0,2,0,0,0,0|1,0,1]=4 10143 B15R0.193 CCCCCCC(C)CCOCOC(=O)C 34a_200011024964_100009813279 [0,2,0,0,0,0|2,0,0]=4 10144 B15R0.193 CCCCCCC(C)NCCCCB(O)O 2230a_100000210919_200009817182 [0,2,0,0,0,0|1,0,1]=4 10145 B15R0.193 CCCCCCC(C)NCCCCB(O)O 34a_100000210919_200009817182 [0,2,0,0,0,0|1,0,1]=4 10146 B15R0.193 CCCCCCC(C)NCCCCC(=O)C 34a_100000210919_100009817362 [0,2,0,0,0,0|1,0,0]=3 10147 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210826 [0,2,0,0,0,0|1,0,0]=3 10148 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 34a_100000696515_100011215978 [0,2,0,0,0,0|1,0,0]=3 10149 B15R0.193 CCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210826 [0,2,0,0,0,0|2,0,0]=4 10150 B15R0.193 CCCCCCC(C)NCCCNC(=O)C 34a_100000736810_100011215978 [0,2,0,0,0,0|2,0,0]=4 10151 B15R0.193 CCCCCCC(C)NCCCOC(=O)C 34a_100000210919_100000042594 [0,2,0,0,0,0|2,0,0]=4 10152 B15R0.193 CCCCCCC(C)NCCCSC(=O)C 2230a_100000210919_100000038929 [0,2,0,0,0,0|2,0,0]=4 10153 B15R0.193 CCCCCCC(C)NCCCSC(=O)C 34a_100000210919_100000038929 [0,2,0,0,0,0|2,0,0]=4 10154 B15R0.193 CCCCCCC(C)NCCOCC(=O)N 2230a_100000210919_100000076697 [0,2,0,0,0,0|2,0,0]=4 10155 B15R0.193 CCCCCCC(C)NCCOCC(=O)N 34a_100000210919_100000076697 [0,2,0,0,0,0|2,0,0]=4 10156 B15R0.193 CCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_100011215978 [0,2,0,0,0,0|1,0,0]=3 10157 B15R0.193 CCCCCCC(C)OCCCCB(O)O 34a_100000210265_200009817182 [0,2,0,0,0,0|1,0,1]=4 10158 B15R0.193 CCCCCCC(C)OCCCCB(O)O 7a_100000210265_200009817182 [0,2,0,0,0,0|1,0,1]=4 10159 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 34a_100000210265_100009817362 [0,2,0,0,0,0|1,0,0]=3 10160 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 7a_100000210265_100000735457 [0,2,0,0,0,0|1,0,0]=3 10161 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 34a_100012022536_100011215978 [0,2,0,0,0,0|1,0,0]=3 10162 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 7a_100012022536_100011215978 [0,2,0,0,0,0|1,0,0]=3 10163 B15R0.193 CCCCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100011215978 [0,2,0,0,0,0|1,0,1]=4 10164 B15R0.193 CCCCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100011215978 [0,2,0,0,0,0|1,0,1]=4 10165 B15R0.193 CCCCCCC(C)OCCCNC(=O)C 34a_100000752032_100011215978 [0,2,0,0,0,0|2,0,0]=4 10166 B15R0.193 CCCCCCC(C)OCCCOC(=O)C 34a_100000210265_100000042594 [0,2,0,0,0,0|2,0,0]=4 10167 B15R0.193 CCCCCCC(C)OCCCOC(=O)C 7a_100000210265_100000042594 [0,2,0,0,0,0|2,0,0]=4 10168 B15R0.193 CCCCCCC(C)OCCCSC(=O)C 34a_100000210265_100000038929 [0,2,0,0,0,0|2,0,0]=4 10169 B15R0.193 CCCCCCC(C)OCCCSC(=O)C 7a_100000210265_100000038929 [0,2,0,0,0,0|2,0,0]=4 10170 B15R0.193 CCCCCCC(C)OCCOCC(=O)N 34a_100000210265_100000076697 [0,2,0,0,0,0|2,0,0]=4 10171 B15R0.193 CCCCCCC(C)OCCOCC(=O)N 7a_100000210265_100000076697 [0,2,0,0,0,0|2,0,0]=4 10172 B15R0.193 CCCCCCC(C)SCCCCB(O)O 62a_100011215978_200009817182 [0,2,0,0,0,0|1,0,1]=4 10173 B15R0.193 CCCCCCC(C)SCCCCB(O)O 62a_200009817182_100011215978 [0,2,0,0,0,0|1,0,1]=4 10174 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100000735457_100011215978 [0,2,0,0,0,0|1,0,0]=3 10175 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100011215978_100000735457 [0,2,0,0,0,0|1,0,0]=3 10176 B15R0.193 CCCCCCC(C)SCCCOC(=O)C 62a_100000042594_100011215978 [0,2,0,0,0,0|2,0,0]=4 10177 B15R0.193 CCCCCCC(C)SCCCOC(=O)C 62a_100011215978_100000042594 [0,2,0,0,0,0|2,0,0]=4 10178 B15R0.193 CCCCCCC(C)SCCCSC(=O)C 62a_100000038929_100011215978 [0,2,0,0,0,0|2,0,0]=4 10179 B15R0.193 CCCCCCC(C)SCCCSC(=O)C 62a_100011215978_100000038929 [0,2,0,0,0,0|2,0,0]=4 10180 B15R0.193 CCCCCCC(C)SCCOCC(=O)N 62a_100000076697_100011215978 [0,2,0,0,0,0|2,0,0]=4 10181 B15R0.193 CCCCCCC(C)SCCOCC(=O)N 62a_100011215978_100000076697 [0,2,0,0,0,0|2,0,0]=4 10182 B15R0.193 CCCCCCN(C)CCCCCB(O)O 2230a_106256046315_200009817188 [0,2,0,0,0,0|1,0,1]=4 10183 B15R0.193 CCCCCCN(C)CCCCCB(O)O 269982a_106256046315_200009817188 [0,2,0,0,0,0|1,0,1]=4 10184 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 2230a_106256046315_100009817443 [0,2,0,0,0,0|1,0,0]=3 10185 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 269982a_106256046315_100009817443 [0,2,0,0,0,0|1,0,0]=3 10186 B15R0.193 CCCCCCN(C)CCCCOC(=O)C 269982a_106256046315_100000033659 [0,2,0,0,0,0|2,0,0]=4 10187 B15R0.193 CCCCCCN(C)CCCCSC(=O)C 2230a_106256046315_200010402107 [0,2,0,0,0,0|2,0,0]=4 10188 B15R0.193 CCCCCCN(C)CCCCSC(=O)C 269982a_106256046315_200010402107 [0,2,0,0,0,0|2,0,0]=4 10189 B15R0.193 CCCCOCC(=O)CCCCCC(=O)N 1458a_100000757543_100009817443 [0,2,0,0,0,0|1,0,1]=4 10190 B15R0.193 CCCCOCC(C)OCCCCC(=O)C 34a_100011217071_100009817362 [0,2,0,0,0,0|2,0,0]=4 10191 B15R0.193 CCCCOCC(C)OCCCCC(=O)C 7a_100011217071_100000735457 [0,2,0,0,0,0|2,0,0]=4 10192 B15R0.193 CCCCSCC(=O)CCCCCC(=O)N 1458a_100000191162_100009817443 [0,2,0,0,0,0|1,0,1]=4 10193 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 2230a_100000722520_100009817443 [0,2,0,0,0,0|2,0,0]=4 10194 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 269982a_100000722520_100009817443 [0,2,0,0,0,0|2,0,0]=4 10195 B15R0.193 NC(=O)CCCCCC(=O)CCCCCO 1458a_100102619762_100009817443 [0,2,0,0,0,0|1,0,1]=4 10196 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC 1458a_100000212188_100009816466 [0,2,0,0,0,0|0,0,1]=3 10197 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210326 [0,2,0,0,0,0|0,0,1]=3 10198 B15R0.233 CCCCCC(=O)CSCCCC(=O)OC 62a_100011218270_200012276598 [0,2,0,0,0,0|1,0,1]=4 10199 B15R0.233 CCCCCC(=O)CSCCCC(=O)OC 62a_200012276598_100011218270 [0,2,0,0,0,0|1,0,1]=4 10200 B15R0.233 CCCCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000212188 [0,2,0,0,0,0|1,0,1]=4 10201 B15R0.233 CCCCCC(C)NCCCCC(=O)OC 2230a_100000211957_100000204269 [0,2,0,0,0,0|1,0,0]=3 10202 B15R0.233 CCCCCC(C)NCCOCC(=O)OC 2230a_100000211957_100000090808 [0,2,0,0,0,0|2,0,0]=4 10203 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 34a_100000059025_200011218191 [0,2,0,0,0,0|1,0,0]=3 10204 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 34a_100011215632_100000204269 [0,2,0,0,0,0|1,0,0]=3 10205 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 7a_100000059025_200011218191 [0,2,0,0,0,0|1,0,0]=3 10206 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 7a_100011215632_100000204269 [0,2,0,0,0,0|1,0,0]=3 10207 B15R0.233 CCCCCC(C)OCCOCC(=O)OC 34a_100011215632_100000090808 [0,2,0,0,0,0|2,0,0]=4 10208 B15R0.233 CCCCCC(C)OCCOCC(=O)OC 7a_100011215632_100000090808 [0,2,0,0,0,0|2,0,0]=4 10209 B15R0.233 CCCCCC(C)SCCCCC(=O)OC 62a_100000204269_200011218191 [0,2,0,0,0,0|1,0,0]=3 10210 B15R0.233 CCCCCC(C)SCCCCC(=O)OC 62a_200011218191_100000204269 [0,2,0,0,0,0|1,0,0]=3 10211 B15R0.233 CCCCCC(C)SCCOCC(=O)OC 62a_100000090808_200011218191 [0,2,0,0,0,0|2,0,0]=4 10212 B15R0.233 CCCCCC(C)SCCOCC(=O)OC 62a_200011218191_100000090808 [0,2,0,0,0,0|2,0,0]=4 10213 B15R0.233 CCCCCN(C)CCCCCC(=O)OC 2230a_100000223495_100009816466 [0,2,0,0,0,0|1,0,0]=3 10214 B15R0.233 CCCCCN(C)CCCCCC(=O)OC 269982a_100000223495_100009816466 [0,2,0,0,0,0|1,0,0]=3 10215 B15R0.233 CCCCNC(=O)CCCCCC(=O)OC 11a_100000102301_100009848860 [0,2,0,0,0,0|1,0,1]=4 10216 B15R0.233 CCCCNC(=O)CCCCCC(=O)OC 1626a_100000102301_100009848860 [0,2,0,0,0,0|1,0,1]=4 10217 B15R0.233 CCCCNC(=O)CCCCCC(=O)OC 240690a_100000102301_100009848860 [0,2,0,0,0,0|1,0,1]=4 10218 B15R0.233 CCCOCC(=O)CCCCCC(=O)OC 1458a_100000745993_100009816466 [0,2,0,0,0,0|1,0,1]=4 10219 B15R0.233 CCCSCC(=O)CCCCCC(=O)OC 1458a_100000217233_100009816466 [0,2,0,0,0,0|1,0,1]=4 10220 B15R0.233 CCOCCC(=O)CCCCCC(=O)OC 1458a_100000749530_100009816466 [0,2,0,0,0,0|1,0,1]=4 10221 B15R0.233 CCOCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100011215890 [0,2,0,0,0,0|1,0,1]=4 10222 B15R0.233 CCSCCC(=O)CCCCCC(=O)OC 1458a_100000230768_100009816466 [0,2,0,0,0,0|1,0,1]=4 10223 B15R0.233 CCSCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000757381 [0,2,0,0,0,0|1,0,1]=4 10224 B15R0.233 COC(=O)CCCCCC(=O)CCCCF 1458a_100009848860_100000729493 [0,2,0,0,0,0|1,0,1]=4 10225 B15R0.233 COC(=O)CCCCCC(=O)CCCCO 1458a_100000695505_100009816466 [0,2,0,0,0,0|1,0,1]=4 10226 B15R0.233 COC(=O)CCCCCC(=O)CCCCO 1458a_100009848860_100000210776 [0,2,0,0,0,0|1,0,1]=4 10227 B15R0.233 COC(=O)CCCCCC(=O)CCCSC 1458a_100000173376_100009816466 [0,2,0,0,0,0|1,0,1]=4 10228 B15R0.233 COC(=O)CCCCCN(C)CCCCO 2230a_100000717598_100009816466 [0,2,0,0,0,0|2,0,0]=4 10229 B15R0.233 COC(=O)CCCCCN(C)CCCCO 269982a_100000717598_100009816466 [0,2,0,0,0,0|2,0,0]=4 10230 B15R0.233 COC(=O)CCCOC[C@@H](N)CCCCN 34a_100016993712_100000742333 [0,2,0,0,0,0|2,0,0]=4 10231 B15R0.233 COCCCC(=O)CCCCCC(=O)OC 1458a_100000741012_100009816466 [0,2,0,0,0,0|1,0,1]=4 10232 B15R0.233 COCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000740836 [0,2,0,0,0,0|1,0,1]=4 10233 B15R0.233 COCCCC(C)OCCCCC(=O)OC 34a_200011539412_100000204269 [0,2,0,0,0,0|2,0,0]=4 10234 B15R0.233 COCCCC(C)OCCCCC(=O)OC 7a_200011539412_100000204269 [0,2,0,0,0,0|2,0,0]=4 10235 B15R0.233 COCCCN(C)CCCCCC(=O)OC 2230a_100000224831_100009816466 [0,2,0,0,0,0|2,0,0]=4 10236 B15R0.233 COCCCN(C)CCCCCC(=O)OC 269982a_100000224831_100009816466 [0,2,0,0,0,0|2,0,0]=4 10237 B15R0.372 CCCCCC(=O)CNCC(O)CC(=O)O 269956a_100011218706_200012276598 [0,2,0,0,0,0|1,0,1]=4 10238 B15R0.399 CCCC(C)CC(=O)CCCCCC(=O)N 1458a_100000748435_100009817443 [0,2,0,0,0,0|1,0,1]=4 10239 B15R0.959 CCC(C)CCC(=O)CCCCCC(=O)N 1458a_100000701222_100009817443 [0,2,0,0,0,0|1,0,1]=4 10240 B15R0.959 CCC(C)CCC(C)OCCCCC(=O)C 7a_200011216552_100000735457 [0,2,0,0,0,0|2,0,0]=4 10241 B15R0.1566 C#CC(CCCCC)OCCCCC(=O)C 34a_100011216489_100009817362 [0,2,0,0,0,0|2,0,0]=4 10242 B15R0.1566 C#CC(CCCCC)OCCCCC(=O)C 7a_100011216489_100000735457 [0,2,0,0,0,0|2,0,0]=4 10243 B15R0.1566 C=CC(CCCCC)OCCCCC(=O)C 34a_100011216863_100009817362 [0,2,0,0,0,0|2,0,0]=4 10244 B15R0.1566 C=CC(CCCCC)OCCCCC(=O)C 7a_100011216863_100000735457 [0,2,0,0,0,0|2,0,0]=4 10245 B15R0.1566 CCCCCC(CC)NCCCCC(=O)N 270004a_100000696515_100011215316 [0,2,0,0,0,0|2,0,0]=4 10246 B15R0.1566 CCCCCC(CC)OCCCCC(=O)C 34a_100011215405_100009817362 [0,2,0,0,0,0|2,0,0]=4 10247 B15R0.1566 CCCCCC(CC)OCCCCC(=O)C 7a_100011215405_100000735457 [0,2,0,0,0,0|2,0,0]=4 10248 B15R0.3196 CCCCCC(C)C(=O)CCCCC(=O)C 1458a_100011215998_100000735457 [0,2,0,0,0,0|1,0,1]=4 10249 B15R0.111 CCCC(C)CCCOCCCCB(O)O 34a_100011713154_200009817182 [0,2,0,0,0,0|1,0,1]=4 10250 B15R0.111 CCCC(C)CCCOCCCCB(O)O 7a_100011713154_200009817182 [0,2,0,0,0,0|1,0,1]=4 10251 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 34a_100011713154_100009817362 [0,2,0,0,0,0|1,0,0]=3 10252 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 7a_100011713154_100000735457 [0,2,0,0,0,0|1,0,0]=3 10253 B15R0.111 CCCC(C)CCCOCCCOC(=O)C 34a_100011713154_100000042594 [0,2,0,0,0,0|2,0,0]=4 10254 B15R0.111 CCCC(C)CCCOCCCOC(=O)C 7a_100011713154_100000042594 [0,2,0,0,0,0|2,0,0]=4 10255 B15R0.111 CCCC(C)CCCOCCCSC(=O)C 34a_100011713154_100000038929 [0,2,0,0,0,0|2,0,0]=4 10256 B15R0.111 CCCC(C)CCCOCCCSC(=O)C 7a_100011713154_100000038929 [0,2,0,0,0,0|2,0,0]=4 10257 B15R0.111 CCCC(C)CCCOCCOCC(=O)N 34a_100011713154_100000076697 [0,2,0,0,0,0|2,0,0]=4 10258 B15R0.111 CCCC(C)CCCOCCOCC(=O)N 7a_100011713154_100000076697 [0,2,0,0,0,0|2,0,0]=4 10259 B15R0.111 CCCC(C)CCOCCCCCB(O)O 34a_100011217855_200009817188 [0,2,0,0,0,0|1,0,1]=4 10260 B15R0.111 CCCC(C)CCOCCCCCB(O)O 7a_100011217855_200009817188 [0,2,0,0,0,0|1,0,1]=4 10261 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 34a_100011217855_100009817443 [0,2,0,0,0,0|1,0,0]=3 10262 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 7a_100011217855_100009817443 [0,2,0,0,0,0|1,0,0]=3 10263 B15R0.111 CCCC(C)CCOCCCCOC(=O)C 34a_100011217855_100000033659 [0,2,0,0,0,0|2,0,0]=4 10264 B15R0.111 CCCC(C)CCOCCCCOC(=O)C 7a_100011217855_100000033659 [0,2,0,0,0,0|2,0,0]=4 10265 B15R0.111 CCCC(C)CCOCCCCSC(=O)C 34a_100011217855_200010402107 [0,2,0,0,0,0|2,0,0]=4 10266 B15R0.111 CCCC(C)CCOCCCCSC(=O)C 7a_100011217855_200010402107 [0,2,0,0,0,0|2,0,0]=4 10267 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 2230a_200012022750_100011216630 [0,2,0,0,0,0|2,0,0]=4 10268 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 270004a_200012022750_100000243154 [0,2,0,0,0,0|2,0,0]=4 10269 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 34a_200012022750_100011216630 [0,2,0,0,0,0|2,0,0]=4 10270 B15R0.111 CCCC(C)COCCCCCCB(O)O 34a_100000688023_100009817187 [0,2,0,0,0,0|1,0,1]=4 10271 B15R0.111 CCCC(C)COCCCCCCB(O)O 7a_100000688023_100009817187 [0,2,0,0,0,0|1,0,1]=4 10272 B15R0.111 CCCC(C)COCCCCCOC(=O)C 34a_100000688023_100000033007 [0,2,0,0,0,0|2,0,0]=4 10273 B15R0.111 CCCC(C)COCCCCCOC(=O)C 7a_100000688023_100000033007 [0,2,0,0,0,0|2,0,0]=4 10274 B15R0.111 CCCC(C)CSCCCCCCB(O)O 62a_100009817187_100011216630 [0,2,0,0,0,0|1,0,1]=4 10275 B15R0.111 CCCC(C)CSCCCCCCB(O)O 62a_100011216630_100009817187 [0,2,0,0,0,0|1,0,1]=4 10276 B15R0.111 CCCC(C)CSCCCCCOC(=O)C 62a_100000033007_100011216630 [0,2,0,0,0,0|2,0,0]=4 10277 B15R0.111 CCCC(C)CSCCCCCOC(=O)C 62a_100011216630_100000033007 [0,2,0,0,0,0|2,0,0]=4 10278 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000766640 [0,2,0,0,0,0|2,0,0]=4 10279 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000211909 [0,2,0,0,0,0|2,0,0]=4 10280 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 34a_200011996284_100000766640 [0,2,0,0,0,0|2,0,0]=4 10281 B15R0.111 CCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000211909 [0,2,0,0,0,0|2,0,0]=4 10282 B15R0.111 CCCC(C)NCCOCCOCC(=O)O 269956a_100009854275_100000766640 [0,2,0,0,0,0|2,0,0]=4 10283 B15R0.111 CCC[C@H](N)CCOCCCCCB(O)O 34a_100015193777_200009817188 [0,2,0,0,0,0|1,0,1]=4 10284 B15R0.111 CCC[C@H](N)CCOCCCCCC(=O)N 34a_100015193777_100009817443 [0,2,0,0,0,0|1,0,0]=3 10285 B15R0.111 CCC[C@H](N)CCOCCCCOC(=O)C 34a_100015193777_100000033659 [0,2,0,0,0,0|2,0,0]=4 10286 B15R0.111 CCC[C@H](N)CCOCCCCSC(=O)C 34a_100015193777_200010402107 [0,2,0,0,0,0|2,0,0]=4 10287 B15R0.111 CCC[C@H](N)COCCCCCCB(O)O 34a_100000732646_100009817187 [0,2,0,0,0,0|1,0,1]=4 10288 B15R0.111 CCC[C@H](N)COCCCCCOC(=O)C 34a_100000732646_100000033007 [0,2,0,0,0,0|2,0,0]=4 10289 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [0,2,0,0,0,0|1,0,1]=4 10290 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [0,2,0,0,0,0|1,0,1]=4 10291 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [0,2,0,0,0,0|1,0,1]=4 10292 B15R0.111 CCOC(=O)CCCCCCNCC(=O)O 269956a_100016091260_100009814379 [0,2,0,0,0,0|1,0,1]=4 10293 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210202 [0,2,0,0,0,0|0,0,1]=3 10294 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000210414_100010282707 [0,2,0,0,0,0|0,0,1]=3 10295 B15R0.172 CCC(=O)COCCCCCCC(=O)OC 34a_100000725409_100009815986 [0,2,0,0,0,0|1,0,1]=4 10296 B15R0.172 CCC(=O)COCCCCCCC(=O)OC 7a_100009863599_100000747405 [0,2,0,0,0,0|1,0,1]=4 10297 B15R0.172 CCC(=O)CSCCCCCCC(=O)OC 62a_100000747405_100009815986 [0,2,0,0,0,0|1,0,1]=4 10298 B15R0.172 CCC(=O)CSCCCCCCC(=O)OC 62a_100009815986_100000747405 [0,2,0,0,0,0|1,0,1]=4 10299 B15R0.172 CCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000210414 [0,2,0,0,0,0|1,0,1]=4 10300 B15R0.172 CCC(C)CCCCCOCCC(=O)NC 7a_200000035636_100000737683 [0,2,0,0,0,0|2,0,0]=4 10301 B15R0.172 CCC(C)CCCCCOCCC(=O)OC 7a_200000035636_100000204255 [0,2,0,0,0,0|1,0,0]=3 10302 B15R0.172 CCC(C)CCCOCCCCC(=O)OC 7a_100011216074_100000204269 [0,2,0,0,0,0|1,0,0]=3 10303 B15R0.172 CCC(C)CCCOCCOCC(=O)OC 7a_100011216074_100000090808 [0,2,0,0,0,0|2,0,0]=4 10304 B15R0.172 CCC(C)CCNCCCCCC(=O)OC 2230a_100020591266_100009816466 [0,2,0,0,0,0|1,0,0]=3 10305 B15R0.172 CCC(C)CCOCCCCCC(=O)OC 7a_100011215188_100009816466 [0,2,0,0,0,0|1,0,0]=3 10306 B15R0.172 CCC(C)CNCCCCCCC(=O)OC 2230a_100020588543_100009815986 [0,2,0,0,0,0|1,0,0]=3 10307 B15R0.172 CCC(C)COCCCCCCC(=O)OC 34a_100009863599_100000748023 [0,2,0,0,0,0|1,0,0]=3 10308 B15R0.172 CCC(C)COCCCCCCC(=O)OC 7a_100009863599_100000748023 [0,2,0,0,0,0|1,0,0]=3 10309 B15R0.172 CCC(C)CSCCCCCCC(=O)OC 62a_100000748023_100009815986 [0,2,0,0,0,0|1,0,0]=3 10310 B15R0.172 CCC(C)CSCCCCCCC(=O)OC 62a_100009815986_100000748023 [0,2,0,0,0,0|1,0,0]=3 10311 B15R0.172 CCC(C)NCCCCCCCC(=O)OC 2230a_100000209981_100010004213 [0,2,0,0,0,0|1,0,0]=3 10312 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 34a_100011022521_100011215416 [0,2,0,0,0,0|1,0,0]=3 10313 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 7a_100000210228_100010004213 [0,2,0,0,0,0|1,0,0]=3 10314 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 7a_100011022521_100000758301 [0,2,0,0,0,0|1,0,0]=3 10315 B15R0.172 CCC(C)SCCCCCCCC(=O)OC 62a_100000758301_100010004213 [0,2,0,0,0,0|1,0,0]=3 10316 B15R0.172 CCC(C)SCCCCCCCC(=O)OC 62a_100010004213_100000758301 [0,2,0,0,0,0|1,0,0]=3 10317 B15R0.172 CCC(O)CNCCCCCCC(=O)OC 2230a_100011218483_100009815986 [0,2,0,0,0,0|1,0,0]=3 10318 B15R0.172 CCC(O)COCCCCCCC(=O)OC 34a_100009863599_100011218378 [0,2,0,0,0,0|1,0,0]=3 10319 B15R0.172 CCC(O)COCCCCCCC(=O)OC 7a_100009863599_100011218378 [0,2,0,0,0,0|1,0,0]=3 10320 B15R0.172 CCC(O)CSCCCCCCC(=O)OC 62a_100009815986_100011218378 [0,2,0,0,0,0|1,0,0]=3 10321 B15R0.172 CCC(O)CSCCCCCCC(=O)OC 62a_100011218378_100009815986 [0,2,0,0,0,0|1,0,0]=3 10322 B15R0.172 CCN(C)CCCCCCCCC(=O)OC 2230a_100000225621_100010282707 [0,2,0,0,0,0|1,0,0]=3 10323 B15R0.172 CCN(C)CCCCCCCCC(=O)OC 269982a_100000225621_100010282707 [0,2,0,0,0,0|1,0,0]=3 10324 B15R0.172 CCN(C)CCCOCCCCC(=O)OC 7a_100000059025_100015186262 [0,2,0,0,0,0|2,0,0]=4 10325 B15R0.172 CCN(C)CCCSCCCCC(=O)OC 62a_100000204269_100015186262 [0,2,0,0,0,0|2,0,0]=4 10326 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 34a_100009863599_100009816398 [0,2,0,0,0,0|1,0,0]=3 10327 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 7a_100009816381_100009815986 [0,2,0,0,0,0|1,0,0]=3 10328 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 7a_100009863599_100009816398 [0,2,0,0,0,0|1,0,0]=3 10329 B15R0.172 CC[C@H](C)CSCCCCCCC(=O)OC 62a_100009815986_100009816398 [0,2,0,0,0,0|1,0,0]=3 10330 B15R0.172 CC[C@H](C)CSCCCCCCC(=O)OC 62a_100009816398_100009815986 [0,2,0,0,0,0|1,0,0]=3 10331 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 11a_106832991635_100000036616 [0,2,0,0,0,0|1,0,1]=4 10332 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 1626a_100102657272_100000036616 [0,2,0,0,0,0|1,0,1]=4 10333 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 240690a_100102657272_100000036616 [0,2,0,0,0,0|1,0,1]=4 10334 B15R0.172 COC(=O)CCCCCCCCC(=O)CF 1458a_100000036616_100015361967 [0,2,0,0,0,0|1,0,1]=4 10335 B15R0.172 COC(=O)CCCCCCCCC(=O)CO 1458a_100000210174_100010282707 [0,2,0,0,0,0|1,0,1]=4 10336 B15R0.172 COC(=O)CCCCCCCN[C@H](C)CO 2230a_100000737577_100010004213 [0,2,0,0,0,0|2,0,0]=4 10337 B15R0.172 COC(=O)CCCCCCCOC(C)CF 34a_100016041109_100010004213 [0,2,0,0,0,0|2,0,0]=4 10338 B15R0.172 COC(=O)CCCCCCCOC(C)CF 7a_100016041109_100010004213 [0,2,0,0,0,0|2,0,0]=4 10339 B15R0.172 COC(=O)CCCCCCCOC(C)CN 34a_100000210904_100010004213 [0,2,0,0,0,0|2,0,0]=4 10340 B15R0.172 COC(=O)CCCCCCCOC(C)CO 34a_100011022521_100012180447 [0,2,0,0,0,0|2,0,0]=4 10341 B15R0.172 COC(=O)CCCCCCCOC(C)CO 7a_100011022521_100012180447 [0,2,0,0,0,0|2,0,0]=4 10342 B15R0.172 COC(=O)CCCCCCCSC(C)CO 62a_100012180447_100010004213 [0,2,0,0,0,0|2,0,0]=4 10343 B15R0.172 COC(=O)CCCCCCCSC(C)OC 62a_100009879195_100010004213 [0,2,0,0,0,0|2,0,0]=4 10344 B15R0.172 COC(=O)CCCCCCCSC(C)OC 62a_100010004213_100009879195 [0,2,0,0,0,0|2,0,0]=4 10345 B15R0.172 COC(=O)CCCCCCCS[C@H](C)CO 62a_100010004213_100016084084 [0,2,0,0,0,0|2,0,0]=4 10346 B15R0.172 COC(=O)CCCCCCCS[C@H](C)CO 62a_100016084084_100010004213 [0,2,0,0,0,0|2,0,0]=4 10347 B15R0.172 COC(=O)CCCCCCNCC(C)CO 34a_100000744482_100009815986 [0,2,0,0,0,0|2,0,0]=4 10348 B15R0.172 COC(=O)CCCCCCNC[C@@H](C)OC 2230a_100020591295_100009815986 [0,2,0,0,0,0|2,0,0]=4 10349 B15R0.172 COC(=O)CCCCCCNC[C@@H](F)CO 34a_100015665980_100009815986 [0,2,0,0,0,0|2,0,0]=4 10350 B15R0.172 COC(=O)CCCCCCNC[C@H](O)CO 2230a_100020644852_100009815986 [0,2,0,0,0,0|2,0,0]=4 10351 B15R0.172 COC(=O)CCCCCCOCC(C)CN 34a_100000744482_100009815986 [0,2,0,0,0,0|2,0,0]=4 10352 B15R0.172 COC(=O)CCCCCCOCC(C)OC 34a_100000690652_100009815986 [0,2,0,0,0,0|2,0,0]=4 10353 B15R0.172 COC(=O)CCCCCCOCC(Cl)CCl 34a_100000033668_100009815986 [0,2,0,0,0,0|2,0,0]=4 10354 B15R0.172 COC(=O)CCCCCCOCC(O)CO 34a_100009863599_100011219619 [0,2,0,0,0,0|2,0,0]=4 10355 B15R0.172 COC(=O)CCCCCCOCC(O)CO 7a_100009863599_100011219619 [0,2,0,0,0,0|2,0,0]=4 10356 B15R0.172 COC(=O)CCCCCCOC[C@@H](C)CO 34a_100009863599_100000059175 [0,2,0,0,0,0|2,0,0]=4 10357 B15R0.172 COC(=O)CCCCCCOC[C@@H](C)CO 7a_100009863599_100000059175 [0,2,0,0,0,0|2,0,0]=4 10358 B15R0.172 COC(=O)CCCCCCOC[C@@H](O)CF 34a_100009863599_100015614560 [0,2,0,0,0,0|2,0,0]=4 10359 B15R0.172 COC(=O)CCCCCCOC[C@@H](O)CF 7a_100009863599_100015614560 [0,2,0,0,0,0|2,0,0]=4 10360 B15R0.172 COC(=O)CCCCCCOC[C@@H](O)CO 34a_100009863599_100009815848 [0,2,0,0,0,0|2,0,0]=4 10361 B15R0.172 COC(=O)CCCCCCOC[C@@H](O)CO 7a_100009863599_100009815848 [0,2,0,0,0,0|2,0,0]=4 10362 B15R0.172 COC(=O)CCCCCCOC[C@H](F)CN 34a_100015665980_100009815986 [0,2,0,0,0,0|2,0,0]=4 10363 B15R0.172 COC(=O)CCCCCCSCC(O)CO 62a_100009815986_100011219619 [0,2,0,0,0,0|2,0,0]=4 10364 B15R0.172 COC(=O)CCCCCCSCC(O)CO 62a_100011219619_100009815986 [0,2,0,0,0,0|2,0,0]=4 10365 B15R0.172 COC(=O)CCCCCCSC[C@@H](C)CO 62a_100000059175_100009815986 [0,2,0,0,0,0|2,0,0]=4 10366 B15R0.172 COC(=O)CCCCCCSC[C@@H](C)CO 62a_100009815986_100000059175 [0,2,0,0,0,0|2,0,0]=4 10367 B15R0.172 COC(=O)CCCCCCSC[C@@H](O)CF 62a_100009815986_100015614560 [0,2,0,0,0,0|2,0,0]=4 10368 B15R0.172 COC(=O)CCCCCCSC[C@@H](O)CF 62a_100015614560_100009815986 [0,2,0,0,0,0|2,0,0]=4 10369 B15R0.172 COC(=O)CCCCCCSC[C@@H](O)CO 62a_100009815848_100009815986 [0,2,0,0,0,0|2,0,0]=4 10370 B15R0.172 COC(=O)CCCCCCSC[C@@H](O)CO 62a_100009815986_100009815848 [0,2,0,0,0,0|2,0,0]=4 10371 B15R0.172 COC(=O)CCCCCNCCC(C)CO 2230a_106354213184_100009816466 [0,2,0,0,0,0|2,0,0]=4 10372 B15R0.172 COC(=O)CCCCCNCCC(C)CO 34a_106354213184_100009816466 [0,2,0,0,0,0|2,0,0]=4 10373 B15R0.172 COC(=O)CCCCCOCCC(C)OC 7a_100000764861_100009816466 [0,2,0,0,0,0|2,0,0]=4 10374 B15R0.172 COC(=O)CCCCOCCC[C@@H](C)CN 34a_100160569302_100000204269 [0,2,0,0,0,0|2,0,0]=4 10375 B15R0.81 C#CC(=O)CCCCCCC#CCCCC 1458a_100000211873_200000043322 [0,2,0,0,0,0|1,0,1]=4 10376 B15R0.81 C#CC(=O)CCCCCCCCCCC=C 1458a_100000211873_100011093070 [0,2,0,0,0,0|1,0,1]=4 10377 B15R0.81 C#CC(=O)CCCCCCCCCCCC 1458a_100000211873_100000759014 [0,2,0,0,0,0|1,0,0]=3 10378 B15R0.81 C#CC(=O)CCCCCCCCCCCO 1458a_100000211873_100009812471 [0,2,0,0,0,0|1,0,0]=3 10379 B15R0.81 C#CC(O)CCCCCNCCCCCC 2230a_100000210581_200010408556 [0,2,0,0,0,0|1,0,1]=4 10380 B15R0.81 C#CC(O)CCCCCOCCCCCC 34a_100000210259_200010408556 [0,2,0,0,0,0|1,0,1]=4 10381 B15R0.81 C#CC(O)CCCCCOCCCCCC 7a_100000210259_200010408556 [0,2,0,0,0,0|1,0,1]=4 10382 B15R0.81 C#CC(O)CCCCCSCCCCCC 62a_100000210314_200010408556 [0,2,0,0,0,0|1,0,1]=4 10383 B15R0.81 C#CC(O)CCCCCSCCCCCC 62a_200010408556_100000210757 [0,2,0,0,0,0|1,0,1]=4 10384 B15R0.81 C#CCCCCCCCCOCC(=O)OC 34a_100000065265_100000747449 [0,2,0,0,0,0|0,0,2]=4 10385 B15R0.81 C#CCCCCCCCCOCC(=O)OC 7a_100000065265_100000747449 [0,2,0,0,0,0|0,0,2]=4 10386 B15R0.81 C#CCCCCCCCOCCC(=O)OC 34a_100000054614_100000742370 [0,2,0,0,0,0|0,0,2]=4 10387 B15R0.81 C#CCCCCCCCOCCC(=O)OC 7a_100000054614_100000204255 [0,2,0,0,0,0|0,0,2]=4 10388 B15R0.81 C#CCCCCCCCSCCC(=O)OC 62a_100000204255_100153394163 [0,2,0,0,0,0|0,0,2]=4 10389 B15R0.81 C#CCCCCCCCSCCC(=O)OC 62a_100153394163_100000204255 [0,2,0,0,0,0|0,0,2]=4 10390 B15R0.81 C#CCCCCCCOCCCC(=O)OC 34a_100011217361_100000742333 [0,2,0,0,0,0|0,0,2]=4 10391 B15R0.81 C#CCCCCCCOCCCC(=O)OC 7a_100011217361_100011218270 [0,2,0,0,0,0|0,0,2]=4 10392 B15R0.81 C#CCCCCCCSCCCC(=O)OC 62a_100011218270_100012276617 [0,2,0,0,0,0|0,0,2]=4 10393 B15R0.81 C#CCCCCCCSCCCC(=O)OC 62a_100012276617_100011218270 [0,2,0,0,0,0|0,0,2]=4 10394 B15R0.81 C#CCCCCCOCCCCC(=O)OC 34a_100000059025_100012094781 [0,2,0,0,0,0|0,0,2]=4 10395 B15R0.81 C#CCCCCCOCCCCC(=O)OC 34a_100000766912_100000204269 [0,2,0,0,0,0|0,0,2]=4 10396 B15R0.81 C#CCCCCCOCCCCC(=O)OC 7a_100000059025_100012094781 [0,2,0,0,0,0|0,0,2]=4 10397 B15R0.81 C#CCCCCCOCCCCC(=O)OC 7a_100000766912_100000204269 [0,2,0,0,0,0|0,0,2]=4 10398 B15R0.81 C#CCCCCCSCCCCC(=O)OC 62a_100000204269_100012094781 [0,2,0,0,0,0|0,0,2]=4 10399 B15R0.81 C#CCCCCCSCCCCC(=O)OC 62a_100012094781_100000204269 [0,2,0,0,0,0|0,0,2]=4 10400 B15R0.81 C#CCCCCNCCCCCC(=O)OC 2230a_100000706060_100009816466 [0,2,0,0,0,0|0,0,2]=4 10401 B15R0.81 C#CCCCCNCCCCCC(=O)OC 34a_100000706060_100009816466 [0,2,0,0,0,0|0,0,2]=4 10402 B15R0.81 C#CCCCCOCCCCCC(=O)OC 34a_100000074720_100010269958 [0,2,0,0,0,0|0,0,2]=4 10403 B15R0.81 C#CCCCCOCCCCCC(=O)OC 34a_100000766709_100009816466 [0,2,0,0,0,0|0,0,2]=4 10404 B15R0.81 C#CCCCCOCCCCCC(=O)OC 7a_100000074720_100010269958 [0,2,0,0,0,0|0,0,2]=4 10405 B15R0.81 C#CCCCCOCCCCCC(=O)OC 7a_100000766709_100009816466 [0,2,0,0,0,0|0,0,2]=4 10406 B15R0.81 C#CCCCCSCCCCCC(=O)OC 62a_100009816466_100010269958 [0,2,0,0,0,0|0,0,2]=4 10407 B15R0.81 C#CCCCCSCCCCCC(=O)OC 62a_100010269958_100009816466 [0,2,0,0,0,0|0,0,2]=4 10408 B15R0.81 C#CCCCNCCCCCCC(=O)OC 34a_100000718082_100009815986 [0,2,0,0,0,0|0,0,2]=4 10409 B15R0.81 C#CCCCOCCCCCCC(=O)OC 34a_100000215630_100009815986 [0,2,0,0,0,0|0,0,2]=4 10410 B15R0.81 C#CCCCOCCCCCCC(=O)OC 34a_100009863599_100000695029 [0,2,0,0,0,0|0,0,2]=4 10411 B15R0.81 C#CCCCOCCCCCCC(=O)OC 7a_100000215630_100009815986 [0,2,0,0,0,0|0,0,2]=4 10412 B15R0.81 C#CCCCOCCCCCCC(=O)OC 7a_100009863599_100011215417 [0,2,0,0,0,0|0,0,2]=4 10413 B15R0.81 C#CCCCSCCCCCCC(=O)OC 62a_100009815986_100011215417 [0,2,0,0,0,0|0,0,2]=4 10414 B15R0.81 C#CCCCSCCCCCCC(=O)OC 62a_100011215417_100009815986 [0,2,0,0,0,0|0,0,2]=4 10415 B15R0.81 C#CCCNCCCCCCCC(=O)OC 34a_100000755551_100010004213 [0,2,0,0,0,0|0,0,2]=4 10416 B15R0.81 C#CCCOCCCCCCCC(=O)OC 34a_100011022521_100000688953 [0,2,0,0,0,0|0,0,2]=4 10417 B15R0.81 C#CCCOCCCCCCCC(=O)OC 34a_100011215631_100010004213 [0,2,0,0,0,0|0,0,2]=4 10418 B15R0.81 C#CCCOCCCCCCCC(=O)OC 7a_100011022521_100000688953 [0,2,0,0,0,0|0,0,2]=4 10419 B15R0.81 C#CCCSCCCCCCCC(=O)OC 62a_100000688953_100010004213 [0,2,0,0,0,0|0,0,2]=4 10420 B15R0.81 C#CCCSCCCCCCCC(=O)OC 62a_100010004213_100000688953 [0,2,0,0,0,0|0,0,2]=4 10421 B15R0.81 C#CCNCCCCCCCCC(=O)OC 34a_100000212058_100010282707 [0,2,0,0,0,0|0,0,2]=4 10422 B15R0.81 C#CCOCCCCCCCCC(=O)OC 34a_100000035544_100000184674 [0,2,0,0,0,0|0,0,2]=4 10423 B15R0.81 C#CCOCCCCCCCCC(=O)OC 34a_100000210247_100010282707 [0,2,0,0,0,0|0,0,2]=4 10424 B15R0.81 C#CCOCCCCCCCCC(=O)OC 7a_100000035544_100000038162 [0,2,0,0,0,0|0,0,2]=4 10425 B15R0.81 C#CCSCCCCCCCCC(=O)OC 62a_100000038162_100010282707 [0,2,0,0,0,0|0,0,2]=4 10426 B15R0.81 C/C=C/CCOCCCCCCC(=O)OC 34a_100016278192_100009815986 [0,2,0,0,0,0|0,0,2]=4 10427 B15R0.81 C/C=C/COCCCCCCCC(=O)OC 34a_100011022521_100102629194 [0,2,0,0,0,0|0,0,2]=4 10428 B15R0.81 C/C=C/COCCCCCCCC(=O)OC 34a_100016270725_100010004213 [0,2,0,0,0,0|0,0,2]=4 10429 B15R0.81 C/C=C/COCCCCCCCC(=O)OC 7a_100011022521_100102629194 [0,2,0,0,0,0|0,0,2]=4 10430 B15R0.81 C/C=C/CSCCCCCCCC(=O)OC 62a_100010004213_100102629194 [0,2,0,0,0,0|0,0,2]=4 10431 B15R0.81 C/C=C/CSCCCCCCCC(=O)OC 62a_100102629194_100010004213 [0,2,0,0,0,0|0,0,2]=4 10432 B15R0.81 C=C(C#N)CNCCCCCCCCCC 2230a_100000684558_100000694840 [0,2,0,0,0,0|2,0,0]=4 10433 B15R0.81 C=C(C#N)CNCCCCCCCCCC 34a_100000684558_100000694840 [0,2,0,0,0,0|2,0,0]=4 10434 B15R0.81 C=C(C#N)COCCCCCCCCCC 34a_100000210711_100000694840 [0,2,0,0,0,0|2,0,0]=4 10435 B15R0.81 C=CC(=O)CCCCCCC#CCCCC 1458a_100000185746_200000043322 [0,2,0,0,0,0|1,0,1]=4 10436 B15R0.81 C=CC(=O)CCCCCCCCCCCO 1458a_100000185746_100009812471 [0,2,0,0,0,0|1,0,0]=3 10437 B15R0.81 C=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000185746 [0,2,0,0,0,0|1,0,0]=3 10438 B15R0.81 C=CC(=O)NCCCCCCCCCCC 240690a_200011215754_200121576911 [0,2,0,0,0,0|1,0,0]=3 10439 B15R0.81 C=CC(=O)NCCCCCCCCCCO 240690a_100000066964_200121576911 [0,2,0,0,0,0|2,0,0]=4 10440 B15R0.81 C=CC(=O)NCCCCOCCCCCC 34a_100014118770_100000210314 [0,2,0,0,0,0|2,0,0]=4 10441 B15R0.81 C=CC(=O)NCCNCCCCCCCC 2230a_114873766552_100000210759 [0,2,0,0,0,0|2,0,0]=4 10442 B15R0.81 C=CC(=O)NCCOCCCCCCCC 34a_100011304386_100000210759 [0,2,0,0,0,0|2,0,0]=4 10443 B15R0.81 C=CC(=O)OCCCCCCNCCCC 2230a_100000102301_100009894100 [0,2,0,0,0,0|2,0,0]=4 10444 B15R0.81 C=CC(=O)OCCCCCCNCCCC 7a_106832991798_100009894100 [0,2,0,0,0,0|2,0,0]=4 10445 B15R0.81 C=CC(=O)OCCCCCCOCCCC 34a_100000210227_100009894100 [0,2,0,0,0,0|2,0,0]=4 10446 B15R0.81 C=CC(=O)OCCCCCCOCCCC 7a_100000210227_100009894100 [0,2,0,0,0,0|2,0,0]=4 10447 B15R0.81 C=CC(=O)OCCCCCCSCCCC 62a_100000210211_100009894100 [0,2,0,0,0,0|2,0,0]=4 10448 B15R0.81 C=CC(=O)OCCCCCCSCCCC 62a_100009894100_100000210210 [0,2,0,0,0,0|2,0,0]=4 10449 B15R0.81 C=CC(=O)OCCCCCOCCCCC 7a_200011023508_100000210326 [0,2,0,0,0,0|2,0,0]=4 10450 B15R0.81 C=CC(=O)OCCNCCCCCCCC 2230a_100000229939_100009813456 [0,2,0,0,0,0|2,0,0]=4 10451 B15R0.81 C=CC(=O)OCCNCCCCCCCC 34a_100000229939_100009813456 [0,2,0,0,0,0|2,0,0]=4 10452 B15R0.81 C=CC(=O)OCCOCCCCCCCC 34a_100000210232_100009813456 [0,2,0,0,0,0|2,0,0]=4 10453 B15R0.81 C=CC(=O)OCCOCCCCCCCC 7a_100000210232_100009813456 [0,2,0,0,0,0|2,0,0]=4 10454 B15R0.81 C=CC(=O)OCCSCCCCCCCC 62a_100000210759_100009813456 [0,2,0,0,0,0|2,0,0]=4 10455 B15R0.81 C=CC(=O)OCCSCCCCCCCC 62a_100009813456_100000210317 [0,2,0,0,0,0|2,0,0]=4 10456 B15R0.81 C=CC(O)CNCCCCCCCCCC 2230a_100000684558_100000730141 [0,2,0,0,0,0|1,0,1]=4 10457 B15R0.81 C=CC(O)CNCCCCCCCCCC 34a_100000684558_100000730141 [0,2,0,0,0,0|1,0,1]=4 10458 B15R0.81 C=CC(O)COCCCCCCCCCC 34a_100000210711_100000730141 [0,2,0,0,0,0|1,0,1]=4 10459 B15R0.81 C=CC(O)COCCCCCCCCCC 7a_100000210711_100000730141 [0,2,0,0,0,0|1,0,1]=4 10460 B15R0.81 C=CC(O)CSCCCCCCCCCC 62a_100000730141_100000210320 [0,2,0,0,0,0|1,0,1]=4 10461 B15R0.81 C=CCCCCCCCCCCC(=O)C=C 1458a_100000185746_100011093070 [0,2,0,0,0,0|1,0,1]=4 10462 B15R0.81 C=CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011093070 [0,2,0,0,0,0|0,0,1]=3 10463 B15R0.81 C=CCCCCCCCCCNC(=O)CO 240690a_100000081888_100000210174 [0,2,0,0,0,0|0,0,2]=4 10464 B15R0.81 C=CCCCCCCCCCNC(=O)CO 527a_100000081888_100000210174 [0,2,0,0,0,0|0,0,2]=4 10465 B15R0.81 C=CCCCCCCCCOCC(=O)OC 34a_100011215194_100000747449 [0,2,0,0,0,0|0,0,2]=4 10466 B15R0.81 C=CCCCCCCCCOCC(=O)OC 7a_100011215194_100000747449 [0,2,0,0,0,0|0,0,2]=4 10467 B15R0.81 C=CCCCCCCCCSCC(=O)OC 62a_100000747449_100011933949 [0,2,0,0,0,0|0,0,2]=4 10468 B15R0.81 C=CCCCCCCCCSCC(=O)OC 62a_100011933949_100000747449 [0,2,0,0,0,0|0,0,2]=4 10469 B15R0.81 C=CCCCCCCCOCCC(=O)OC 34a_100000730831_100000742370 [0,2,0,0,0,0|0,0,2]=4 10470 B15R0.81 C=CCCCCCCCOCCC(=O)OC 7a_100000730831_100000204255 [0,2,0,0,0,0|0,0,2]=4 10471 B15R0.81 C=CCCCCCCCSCCC(=O)OC 62a_100000204255_100012355270 [0,2,0,0,0,0|0,0,2]=4 10472 B15R0.81 C=CCCCCCCCSCCC(=O)OC 62a_100012355270_100000204255 [0,2,0,0,0,0|0,0,2]=4 10473 B15R0.81 C=CCCCCCCOCCCC(=O)OC 34a_200011216477_100000742333 [0,2,0,0,0,0|0,0,2]=4 10474 B15R0.81 C=CCCCCCCOCCCC(=O)OC 7a_200011216477_100011218270 [0,2,0,0,0,0|0,0,2]=4 10475 B15R0.81 C=CCCCCCCSCCCC(=O)OC 62a_100011215473_100011218270 [0,2,0,0,0,0|0,0,2]=4 10476 B15R0.81 C=CCCCCCCSCCCC(=O)OC 62a_100011218270_100011215473 [0,2,0,0,0,0|0,0,2]=4 10477 B15R0.81 C=CCCCCCOCCCCC(=O)OC 34a_100000059025_100000700193 [0,2,0,0,0,0|0,0,2]=4 10478 B15R0.81 C=CCCCCCOCCCCC(=O)OC 34a_100011216702_100000204269 [0,2,0,0,0,0|0,0,2]=4 10479 B15R0.81 C=CCCCCCOCCCCC(=O)OC 7a_100000059025_100000700193 [0,2,0,0,0,0|0,0,2]=4 10480 B15R0.81 C=CCCCCCOCCCCC(=O)OC 7a_100011216702_100000204269 [0,2,0,0,0,0|0,0,2]=4 10481 B15R0.81 C=CCCCCCSCCCCC(=O)OC 62a_100000204269_100000700193 [0,2,0,0,0,0|0,0,2]=4 10482 B15R0.81 C=CCCCCCSCCCCC(=O)OC 62a_100000700193_100000204269 [0,2,0,0,0,0|0,0,2]=4 10483 B15R0.81 C=CCCCCNCCCCCC(=O)OC 2230a_100000703577_100009816466 [0,2,0,0,0,0|0,0,2]=4 10484 B15R0.81 C=CCCCCNCCCCCC(=O)OC 34a_100000703577_100009816466 [0,2,0,0,0,0|0,0,2]=4 10485 B15R0.81 C=CCCCCOCCCCCC(=O)OC 34a_100000074720_100011215482 [0,2,0,0,0,0|0,0,2]=4 10486 B15R0.81 C=CCCCCOCCCCCC(=O)OC 34a_100000766645_100009816466 [0,2,0,0,0,0|0,0,2]=4 10487 B15R0.81 C=CCCCCOCCCCCC(=O)OC 7a_100000074720_100011215482 [0,2,0,0,0,0|0,0,2]=4 10488 B15R0.81 C=CCCCCOCCCCCC(=O)OC 7a_100000766645_100009816466 [0,2,0,0,0,0|0,0,2]=4 10489 B15R0.81 C=CCCCCSCCCCCC(=O)OC 62a_100009816466_100011215482 [0,2,0,0,0,0|0,0,2]=4 10490 B15R0.81 C=CCCCCSCCCCCC(=O)OC 62a_100011215482_100009816466 [0,2,0,0,0,0|0,0,2]=4 10491 B15R0.81 C=CCCCNCCCCCCC(=O)OC 2230a_100000700776_100009815986 [0,2,0,0,0,0|0,0,2]=4 10492 B15R0.81 C=CCCCNCCCCCCC(=O)OC 34a_100000700776_100009815986 [0,2,0,0,0,0|0,0,2]=4 10493 B15R0.81 C=CCCCOCCCCCCC(=O)OC 34a_100000758997_100009815986 [0,2,0,0,0,0|0,0,2]=4 10494 B15R0.81 C=CCCCOCCCCCCC(=O)OC 34a_100009863599_100000757094 [0,2,0,0,0,0|0,0,2]=4 10495 B15R0.81 C=CCCCOCCCCCCC(=O)OC 7a_100000758997_100009815986 [0,2,0,0,0,0|0,0,2]=4 10496 B15R0.81 C=CCCCOCCCCCCC(=O)OC 7a_100009863599_100000757094 [0,2,0,0,0,0|0,0,2]=4 10497 B15R0.81 C=CCCCSCCCCCCC(=O)OC 62a_100009815986_100000757094 [0,2,0,0,0,0|0,0,2]=4 10498 B15R0.81 C=CCCCSCCCCCCC(=O)OC 62a_100011713584_100009815986 [0,2,0,0,0,0|0,0,2]=4 10499 B15R0.81 C=CCCNCCCCCCCC(=O)OC 2230a_100015191253_100010004213 [0,2,0,0,0,0|0,0,2]=4 10500 B15R0.81 C=CCCOCCCCCCCC(=O)OC 34a_100011022521_100000754431 [0,2,0,0,0,0|0,0,2]=4 10501 B15R0.81 C=CCCOCCCCCCCC(=O)OC 34a_100011205117_100010004213 [0,2,0,0,0,0|0,0,2]=4 10502 B15R0.81 C=CCCOCCCCCCCC(=O)OC 7a_100011022521_100000754431 [0,2,0,0,0,0|0,0,2]=4 10503 B15R0.81 C=CCCSCCCCCCCC(=O)OC 62a_100000754431_100010004213 [0,2,0,0,0,0|0,0,2]=4 10504 B15R0.81 C=CCCSCCCCCCCC(=O)OC 62a_100010004213_100000754431 [0,2,0,0,0,0|0,0,2]=4 10505 B15R0.81 C=CCNCCCCCCCCC(=O)OC 2230a_100020586998_100010282707 [0,2,0,0,0,0|0,0,2]=4 10506 B15R0.81 C=CCOCCCCCCCCC(=O)OC 34a_100000035544_100015514636 [0,2,0,0,0,0|0,0,2]=4 10507 B15R0.81 C=CCOCCCCCCCCC(=O)OC 34a_200000210373_100010282707 [0,2,0,0,0,0|0,0,2]=4 10508 B15R0.81 C=CCOCCCCCCCCC(=O)OC 7a_100000035544_100015514636 [0,2,0,0,0,0|0,0,2]=4 10509 B15R0.81 C=CCSCCCCCCCCC(=O)OC 62a_100000210623_100010282707 [0,2,0,0,0,0|0,0,2]=4 10510 B15R0.81 C=CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210623 [0,2,0,0,0,0|0,0,2]=4 10511 B15R0.81 CC#CCCOCCCCCCC(=O)OC 34a_100000750427_100009815986 [0,2,0,0,0,0|0,0,2]=4 10512 B15R0.81 CC#CCNCCCCCCCC(=O)OC 2230a_100000685387_100010004213 [0,2,0,0,0,0|0,0,2]=4 10513 B15R0.81 CC#CCNCCCCCCCC(=O)OC 34a_100000685387_100010004213 [0,2,0,0,0,0|0,0,2]=4 10514 B15R0.81 CC#CCOCCCCCCCC(=O)OC 34a_100000761923_100010004213 [0,2,0,0,0,0|0,0,2]=4 10515 B15R0.81 CC#CCOCCCCCCCC(=O)OC 34a_100011022521_100000748600 [0,2,0,0,0,0|0,0,2]=4 10516 B15R0.81 CC#CCOCCCCCCCC(=O)OC 7a_100011022521_100000748600 [0,2,0,0,0,0|0,0,2]=4 10517 B15R0.81 CC#CCSCCCCCCCC(=O)OC 62a_100000748600_100010004213 [0,2,0,0,0,0|0,0,2]=4 10518 B15R0.81 CC#CCSCCCCCCCC(=O)OC 62a_100010004213_100000748600 [0,2,0,0,0,0|0,0,2]=4 10519 B15R0.81 CC/C=C/CCCOCCCCC(=O)OC 34a_100016287902_100000204269 [0,2,0,0,0,0|0,0,2]=4 10520 B15R0.81 CC/C=C/CCCOCCCCC(=O)OC 7a_100016287902_100000204269 [0,2,0,0,0,0|0,0,2]=4 10521 B15R0.81 CC/C=C\CCCCCOCCC(=O)OC 34a_100016268722_100000742370 [0,2,0,0,0,0|0,0,2]=4 10522 B15R0.81 CC/C=C\CCCCCOCCC(=O)OC 7a_100016268722_100000204255 [0,2,0,0,0,0|0,0,2]=4 10523 B15R0.81 CC/C=C\CCCCOCCCC(=O)OC 34a_100016287862_100000742333 [0,2,0,0,0,0|0,0,2]=4 10524 B15R0.81 CC/C=C\CCCCOCCCC(=O)OC 7a_100016287862_100011218270 [0,2,0,0,0,0|0,0,2]=4 10525 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 34a_100000074720_100015370543 [0,2,0,0,0,0|0,0,2]=4 10526 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 34a_100016288707_100009816466 [0,2,0,0,0,0|0,0,2]=4 10527 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 7a_100000074720_100015370543 [0,2,0,0,0,0|0,0,2]=4 10528 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 7a_100016288707_100009816466 [0,2,0,0,0,0|0,0,2]=4 10529 B15R0.81 CC/C=C\CCSCCCCCC(=O)OC 62a_100009816466_100015370543 [0,2,0,0,0,0|0,0,2]=4 10530 B15R0.81 CC/C=C\CCSCCCCCC(=O)OC 62a_100015370543_100009816466 [0,2,0,0,0,0|0,0,2]=4 10531 B15R0.81 CC/C=C\COCCCCCCC(=O)OC 34a_100009863599_100103147603 [0,2,0,0,0,0|0,0,2]=4 10532 B15R0.81 CC/C=C\COCCCCCCC(=O)OC 34a_100016268518_100009815986 [0,2,0,0,0,0|0,0,2]=4 10533 B15R0.81 CC/C=C\COCCCCCCC(=O)OC 7a_100009863599_100103147603 [0,2,0,0,0,0|0,0,2]=4 10534 B15R0.81 CC/C=C\CSCCCCCCC(=O)OC 62a_100009815986_100103147603 [0,2,0,0,0,0|0,0,2]=4 10535 B15R0.81 CC/C=C\CSCCCCCCC(=O)OC 62a_100103147603_100009815986 [0,2,0,0,0,0|0,0,2]=4 10536 B15R0.81 CC=CCCCOCCCCCC(=O)OC 34a_100020645299_100009816466 [0,2,0,0,0,0|0,0,2]=4 10537 B15R0.81 CC=CCOCCCCCCCC(=O)OC 34a_100011022521_100000070051 [0,2,0,0,0,0|0,0,2]=4 10538 B15R0.81 CC=CCOCCCCCCCC(=O)OC 7a_100011022521_100000070051 [0,2,0,0,0,0|0,0,2]=4 10539 B15R0.81 CC=CCSCCCCCCCC(=O)OC 62a_100000070051_100010004213 [0,2,0,0,0,0|0,0,2]=4 10540 B15R0.81 CC=CCSCCCCCCCC(=O)OC 62a_100010004213_100000070051 [0,2,0,0,0,0|0,0,2]=4 10541 B15R0.81 CCC#CCCCCCCSCC(=O)OC 62a_100000747449_200000036426 [0,2,0,0,0,0|0,0,2]=4 10542 B15R0.81 CCC#CCCCCCCSCC(=O)OC 62a_200000036426_100000747449 [0,2,0,0,0,0|0,0,2]=4 10543 B15R0.81 CCC#CCCOCCCCCC(=O)OC 34a_100000036655_100009816466 [0,2,0,0,0,0|0,0,2]=4 10544 B15R0.81 CCC#CCCOCCCCCC(=O)OC 7a_100000036655_100009816466 [0,2,0,0,0,0|0,0,2]=4 10545 B15R0.81 CCC#CCOCCCCCCC(=O)OC 34a_100000032950_100009815986 [0,2,0,0,0,0|0,0,2]=4 10546 B15R0.81 CCC#CCOCCCCCCC(=O)OC 34a_100009863599_100009813939 [0,2,0,0,0,0|0,0,2]=4 10547 B15R0.81 CCC#CCOCCCCCCC(=O)OC 7a_100009863599_100009813939 [0,2,0,0,0,0|0,0,2]=4 10548 B15R0.81 CCC#CCSCCCCCCC(=O)OC 62a_100009813939_100009815986 [0,2,0,0,0,0|0,0,2]=4 10549 B15R0.81 CCC#CCSCCCCCCC(=O)OC 62a_100009815986_100009813939 [0,2,0,0,0,0|0,0,2]=4 10550 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [0,2,0,0,0,0|1,0,0]=3 10551 B15R0.81 CCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747405 [0,2,0,0,0,0|2,0,0]=4 10552 B15R0.81 CCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747405 [0,2,0,0,0,0|2,0,0]=4 10553 B15R0.81 CCC(=O)COCCCCCCCCCO 34a_100000725409_100009813782 [0,2,0,0,0,0|2,0,0]=4 10554 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100000747405_100009813782 [0,2,0,0,0,0|2,0,0]=4 10555 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747405 [0,2,0,0,0,0|2,0,0]=4 10556 B15R0.81 CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210414 [0,2,0,0,0,0|2,0,0]=4 10557 B15R0.81 CCC/C=C/COCCCCCC(=O)OC 34a_100016278788_100009816466 [0,2,0,0,0,0|0,0,2]=4 10558 B15R0.81 CCC/C=C/COCCCCCC(=O)OC 7a_100016278788_100009816466 [0,2,0,0,0,0|0,0,2]=4 10559 B15R0.81 CCCC#CCCOCCCCC(=O)OC 34a_100000042726_100000204269 [0,2,0,0,0,0|0,0,2]=4 10560 B15R0.81 CCCC#CCCOCCCCC(=O)OC 7a_100000042726_100000204269 [0,2,0,0,0,0|0,0,2]=4 10561 B15R0.81 CCCC#CCOCCCCCC(=O)OC 34a_100000034806_100009816466 [0,2,0,0,0,0|0,0,2]=4 10562 B15R0.81 CCCC#CCOCCCCCC(=O)OC 7a_100000034806_100009816466 [0,2,0,0,0,0|0,0,2]=4 10563 B15R0.81 CCCC/C=C/CCCCOCC(=O)OC 34a_200020645093_100000747449 [0,2,0,0,0,0|0,0,2]=4 10564 B15R0.81 CCCC/C=C/CCCCOCC(=O)OC 7a_200020645093_100000747449 [0,2,0,0,0,0|0,0,2]=4 10565 B15R0.81 CCCC/C=C/COCCCCC(=O)OC 34a_200016272032_100000204269 [0,2,0,0,0,0|0,0,2]=4 10566 B15R0.81 CCCC/C=C/COCCCCC(=O)OC 7a_200016272032_100000204269 [0,2,0,0,0,0|0,0,2]=4 10567 B15R0.81 CCCC/C=C\CCOCCCC(=O)OC 34a_200016286491_100000742333 [0,2,0,0,0,0|0,0,2]=4 10568 B15R0.81 CCCC/C=C\CCOCCCC(=O)OC 7a_200016286491_100011218270 [0,2,0,0,0,0|0,0,2]=4 10569 B15R0.81 CCCCC#CCCCCCCC(=O)CC 1458a_100000210414_200000043322 [0,2,0,0,0,0|1,0,1]=4 10570 B15R0.81 CCCCC#CCCCCCCC(=O)CO 1458a_100000210174_200000043322 [0,2,0,0,0,0|0,0,1]=3 10571 B15R0.81 CCCCC#CCCCCOCC(=O)OC 34a_200000066234_100000747449 [0,2,0,0,0,0|0,0,2]=4 10572 B15R0.81 CCCCC#CCCCCOCC(=O)OC 7a_200000066234_100000747449 [0,2,0,0,0,0|0,0,2]=4 10573 B15R0.81 CCCCC#CCCCSCCC(=O)OC 62a_100000204255_200000047210 [0,2,0,0,0,0|0,0,2]=4 10574 B15R0.81 CCCCC#CCCCSCCC(=O)OC 62a_200000047210_100000204255 [0,2,0,0,0,0|0,0,2]=4 10575 B15R0.81 CCCCC#CCCOCCCC(=O)OC 34a_100000037610_100000742333 [0,2,0,0,0,0|0,0,2]=4 10576 B15R0.81 CCCCC#CCCOCCCC(=O)OC 7a_100000037610_100011218270 [0,2,0,0,0,0|0,0,2]=4 10577 B15R0.81 CCCCC#CCOCCCCC(=O)OC 34a_200000034558_100000204269 [0,2,0,0,0,0|0,0,2]=4 10578 B15R0.81 CCCCC#CCOCCCCC(=O)OC 7a_200000034558_100000204269 [0,2,0,0,0,0|0,0,2]=4 10579 B15R0.81 CCCCC/C=C/COCCCC(=O)OC 34a_100016258190_100000742333 [0,2,0,0,0,0|0,0,2]=4 10580 B15R0.81 CCCCC/C=C/COCCCC(=O)OC 7a_100016258190_100011218270 [0,2,0,0,0,0|0,0,2]=4 10581 B15R0.81 CCCCC/C=C\CCCOCC(=O)OC 34a_100020655193_100000747449 [0,2,0,0,0,0|0,0,2]=4 10582 B15R0.81 CCCCC/C=C\CCCOCC(=O)OC 7a_100020655193_100000747449 [0,2,0,0,0,0|0,0,2]=4 10583 B15R0.81 CCCCC/C=C\CCOCCC(=O)OC 34a_100016277358_100000742370 [0,2,0,0,0,0|0,0,2]=4 10584 B15R0.81 CCCCC/C=C\CCOCCC(=O)OC 7a_100016277358_100000204255 [0,2,0,0,0,0|0,0,2]=4 10585 B15R0.81 CCCCCC#CCCOCCC(=O)OC 34a_200000042877_100000742370 [0,2,0,0,0,0|0,0,2]=4 10586 B15R0.81 CCCCCC#CCCOCCC(=O)OC 7a_200000042877_100000204255 [0,2,0,0,0,0|0,0,2]=4 10587 B15R0.81 CCCCCC#CCOCCCC(=O)OC 34a_200000033628_100000742333 [0,2,0,0,0,0|0,0,2]=4 10588 B15R0.81 CCCCCC#CCOCCCC(=O)OC 7a_200000033628_100011218270 [0,2,0,0,0,0|0,0,2]=4 10589 B15R0.81 CCCCCC#CCSCCCC(=O)OC 62a_100009816472_100011218270 [0,2,0,0,0,0|0,0,2]=4 10590 B15R0.81 CCCCCC#CCSCCCC(=O)OC 62a_100011218270_100009816472 [0,2,0,0,0,0|0,0,2]=4 10591 B15R0.81 CCCCCC/C=C/COCCC(=O)OC 34a_200016276170_100000742370 [0,2,0,0,0,0|0,0,2]=4 10592 B15R0.81 CCCCCC/C=C/COCCC(=O)OC 7a_200016276170_100000204255 [0,2,0,0,0,0|0,0,2]=4 10593 B15R0.81 CCCCCCC#CCCOCC(=O)OC 34a_200000033163_100000747449 [0,2,0,0,0,0|0,0,2]=4 10594 B15R0.81 CCCCCCC#CCCOCC(=O)OC 7a_200000033163_100000747449 [0,2,0,0,0,0|0,0,2]=4 10595 B15R0.81 CCCCCCC#CCOCCC(=O)OC 34a_200000037284_100000742370 [0,2,0,0,0,0|0,0,2]=4 10596 B15R0.81 CCCCCCC#CCOCCC(=O)OC 7a_200000037284_100000204255 [0,2,0,0,0,0|0,0,2]=4 10597 B15R0.81 CCCCCCCC#CCOCC(=O)OC 34a_200000061759_100000747449 [0,2,0,0,0,0|0,0,2]=4 10598 B15R0.81 CCCCCCCC#CCOCC(=O)OC 7a_200000061759_100000747449 [0,2,0,0,0,0|0,0,2]=4 10599 B15R0.81 CCCCCCCCCCC=CC(=O)NC 11a_106832991635_100015291182 [0,2,0,0,0,0|1,0,1]=4 10600 B15R0.81 CCCCCCCCCCC=CC(=O)NC 1626a_100102657272_100015291182 [0,2,0,0,0,0|1,0,1]=4 10601 B15R0.81 CCCCCCCCCCC=CC(=O)NC 240690a_100102657272_100015291182 [0,2,0,0,0,0|1,0,1]=4 10602 B15R0.81 CCCCCCCCCCCCC(=O)CF 1458a_100011215791_100015361967 [0,2,0,0,0,0|1,0,0]=3 10603 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [0,2,0,0,0,0|0,0,0]=2 10604 B15R0.81 CCCCCCCCCCCCC(=O)NC 11a_106832991635_100011215791 [0,2,0,0,0,0|1,0,0]=3 10605 B15R0.81 CCCCCCCCCCCCC(=O)NC 1626a_100102657272_100011215791 [0,2,0,0,0,0|1,0,0]=3 10606 B15R0.81 CCCCCCCCCCCCC(=O)NC 240690a_100102657272_100011215791 [0,2,0,0,0,0|1,0,0]=3 10607 B15R0.81 CCCCCCCCCCCNC(=O)CC 11a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 10608 B15R0.81 CCCCCCCCCCCNC(=O)CC 1626a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 10609 B15R0.81 CCCCCCCCCCCNC(=O)CC 240690a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 10610 B15R0.81 CCCCCCCCCCCNC(=O)CC 527a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 10611 B15R0.81 CCCCCCCCCCCNC(=O)CO 240690a_200011215754_100000210174 [0,2,0,0,0,0|0,0,0]=2 10612 B15R0.81 CCCCCCCCCCCNC(=O)CO 527a_200011215754_100000210174 [0,2,0,0,0,0|0,0,0]=2 10613 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_100102657272_200011215754 [0,2,0,0,0,0|1,0,0]=3 10614 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_200011215754_106832991635 [0,2,0,0,0,0|1,0,0]=3 10615 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_100102657272_200011215754 [0,2,0,0,0,0|1,0,0]=3 10616 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_200011215754_100102657272 [0,2,0,0,0,0|1,0,0]=3 10617 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_106832991638_200011215754 [0,2,0,0,0,0|1,0,0]=3 10618 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_200011215754_100102657272 [0,2,0,0,0,0|1,0,0]=3 10619 B15R0.81 CCCCCCCCCCCNC(C)CO 2230a_200011215754_100012180447 [0,2,0,0,0,0|1,0,1]=4 10620 B15R0.81 CCCCCCCCCCCNC(C)CO 34a_200011215754_100012180447 [0,2,0,0,0,0|1,0,1]=4 10621 B15R0.81 CCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215454 [0,2,0,0,0,0|1,0,1]=4 10622 B15R0.81 CCCCCCCCCCCOC(C)CO 34a_100000210809_100012180447 [0,2,0,0,0,0|1,0,1]=4 10623 B15R0.81 CCCCCCCCCCCOC(C)CO 7a_100000210809_100012180447 [0,2,0,0,0,0|1,0,1]=4 10624 B15R0.81 CCCCCCCCCCCSC(C)CO 62a_100012180447_100011215454 [0,2,0,0,0,0|1,0,1]=4 10625 B15R0.81 CCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100011215454 [0,2,0,0,0,0|1,0,1]=4 10626 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000684558_100000183359 [0,2,0,0,0,0|1,0,0]=3 10627 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210320 [0,2,0,0,0,0|1,0,0]=3 10628 B15R0.81 CCCCCCCCCCNCC(=O)NC 34a_100000684558_100000183359 [0,2,0,0,0,0|1,0,0]=3 10629 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [0,2,0,0,0,0|0,0,0]=2 10630 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [0,2,0,0,0,0|0,0,0]=2 10631 B15R0.81 CCCCCCCCCCNCC(C)CO 34a_100000744482_100000210320 [0,2,0,0,0,0|1,0,1]=4 10632 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100000684558_100011218378 [0,2,0,0,0,0|1,0,1]=4 10633 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100011218483_100000210320 [0,2,0,0,0,0|1,0,1]=4 10634 B15R0.81 CCCCCCCCCCNCC(O)CC 34a_100000684558_100011218378 [0,2,0,0,0,0|1,0,1]=4 10635 B15R0.81 CCCCCCCCCCNCC(O)CO 2230a_100000684558_100011219619 [0,2,0,0,0,0|0,0,2]=4 10636 B15R0.81 CCCCCCCCCCNCC(O)CO 34a_100000684558_100011219619 [0,2,0,0,0,0|0,0,2]=4 10637 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 2230a_100000684558_100000059175 [0,2,0,0,0,0|1,0,1]=4 10638 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 34a_100000684558_100000059175 [0,2,0,0,0,0|1,0,1]=4 10639 B15R0.81 CCCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210320 [0,2,0,0,0,0|1,0,1]=4 10640 B15R0.81 CCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210320 [0,2,0,0,0,0|1,0,1]=4 10641 B15R0.81 CCCCCCCCCCNC[C@@H](O)CF 2230a_100000684558_100015614560 [0,2,0,0,0,0|1,0,1]=4 10642 B15R0.81 CCCCCCCCCCNC[C@@H](O)CF 34a_100000684558_100015614560 [0,2,0,0,0,0|1,0,1]=4 10643 B15R0.81 CCCCCCCCCCNC[C@@H](O)CO 2230a_100000684558_100009815848 [0,2,0,0,0,0|0,0,2]=4 10644 B15R0.81 CCCCCCCCCCNC[C@@H](O)CO 34a_100000684558_100009815848 [0,2,0,0,0,0|0,0,2]=4 10645 B15R0.81 CCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210320 [0,2,0,0,0,0|0,0,2]=4 10646 B15R0.81 CCCCCCCCCCOCC(=O)CC 34a_100000725409_100000210320 [0,2,0,0,0,0|1,0,0]=3 10647 B15R0.81 CCCCCCCCCCOCC(=O)CC 7a_100000210711_100000747405 [0,2,0,0,0,0|1,0,0]=3 10648 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000210711_100000183359 [0,2,0,0,0,0|1,0,0]=3 10649 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210320 [0,2,0,0,0,0|1,0,0]=3 10650 B15R0.81 CCCCCCCCCCOCC(=O)NC 7a_100000210711_100000183359 [0,2,0,0,0,0|1,0,0]=3 10651 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [0,2,0,0,0,0|0,0,0]=2 10652 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [0,2,0,0,0,0|0,0,0]=2 10653 B15R0.81 CCCCCCCCCCOCC(C)OC 34a_100000690652_100000210320 [0,2,0,0,0,0|1,0,1]=4 10654 B15R0.81 CCCCCCCCCCOCC(O)CC 34a_100000210711_100011218378 [0,2,0,0,0,0|1,0,1]=4 10655 B15R0.81 CCCCCCCCCCOCC(O)CC 7a_100000210711_100011218378 [0,2,0,0,0,0|1,0,1]=4 10656 B15R0.81 CCCCCCCCCCOCC(O)CO 34a_100000210711_100011219619 [0,2,0,0,0,0|0,0,2]=4 10657 B15R0.81 CCCCCCCCCCOCC(O)CO 7a_100000210711_100011219619 [0,2,0,0,0,0|0,0,2]=4 10658 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 34a_100000210711_100000059175 [0,2,0,0,0,0|1,0,1]=4 10659 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 7a_100000210711_100000059175 [0,2,0,0,0,0|1,0,1]=4 10660 B15R0.81 CCCCCCCCCCOC[C@@H](O)CF 34a_100000210711_100015614560 [0,2,0,0,0,0|1,0,1]=4 10661 B15R0.81 CCCCCCCCCCOC[C@@H](O)CF 7a_100000210711_100015614560 [0,2,0,0,0,0|1,0,1]=4 10662 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 34a_100000210711_100009815848 [0,2,0,0,0,0|0,0,2]=4 10663 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 7a_100000210711_100009815848 [0,2,0,0,0,0|0,0,2]=4 10664 B15R0.81 CCCCCCCCCCSCC(=O)CC 62a_100000747405_100000210320 [0,2,0,0,0,0|1,0,0]=3 10665 B15R0.81 CCCCCCCCCCSCC(=O)NC 62a_100000183359_100000210320 [0,2,0,0,0,0|1,0,0]=3 10666 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [0,2,0,0,0,0|0,0,0]=2 10667 B15R0.81 CCCCCCCCCCSCC(O)CC 62a_100011218378_100000210320 [0,2,0,0,0,0|1,0,1]=4 10668 B15R0.81 CCCCCCCCCCSCC(O)CO 62a_100011219619_100000210320 [0,2,0,0,0,0|0,0,2]=4 10669 B15R0.81 CCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210320 [0,2,0,0,0,0|1,0,1]=4 10670 B15R0.81 CCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210320 [0,2,0,0,0,0|1,0,1]=4 10671 B15R0.81 CCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210320 [0,2,0,0,0,0|0,0,2]=4 10672 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000212291_100000737683 [0,2,0,0,0,0|1,0,0]=3 10673 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011214924 [0,2,0,0,0,0|1,0,0]=3 10674 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000212291_100012179268 [0,2,0,0,0,0|1,0,0]=3 10675 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000738227_100011214924 [0,2,0,0,0,0|1,0,0]=3 10676 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [0,2,0,0,0,0|0,0,0]=2 10677 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [0,2,0,0,0,0|0,0,0]=2 10678 B15R0.81 CCCCCCCCCNCCC(C)CO 2230a_106354213184_100011214924 [0,2,0,0,0,0|1,0,1]=4 10679 B15R0.81 CCCCCCCCCNCCC(C)CO 34a_106354213184_100011214924 [0,2,0,0,0,0|1,0,1]=4 10680 B15R0.81 CCCCCCCCCOCCC(=NO)N 34a_100000749954_100011214924 [0,2,0,0,0,0|1,0,0]=3 10681 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000210712_100012179268 [0,2,0,0,0,0|1,0,0]=3 10682 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000754576_100011214924 [0,2,0,0,0,0|1,0,0]=3 10683 B15R0.81 CCCCCCCCCOCCC(=O)NC 7a_100000210712_100000737683 [0,2,0,0,0,0|1,0,0]=3 10684 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [0,2,0,0,0,0|0,0,0]=2 10685 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [0,2,0,0,0,0|0,0,0]=2 10686 B15R0.81 CCCCCCCCCOCCC(C)OC 7a_100000764861_100000210328 [0,2,0,0,0,0|1,0,1]=4 10687 B15R0.81 CCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210670 [0,2,0,0,0,0|1,0,0]=3 10688 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [0,2,0,0,0,0|0,0,0]=2 10689 B15R0.81 CCCCCCCCNC/C=C/C(=O)OC 2230a_100000229939_100000742655 [0,2,0,0,0,0|0,0,2]=4 10690 B15R0.81 CCCCCCCCNC/C=C/C(=O)OC 34a_100000229939_100000742655 [0,2,0,0,0,0|0,0,2]=4 10691 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000229939_100000741757 [0,2,0,0,0,0|1,0,0]=3 10692 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210759 [0,2,0,0,0,0|1,0,0]=3 10693 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000229939_100000741757 [0,2,0,0,0,0|1,0,0]=3 10694 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210759 [0,2,0,0,0,0|1,0,0]=3 10695 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [0,2,0,0,0,0|0,0,0]=2 10696 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [0,2,0,0,0,0|0,0,0]=2 10697 B15R0.81 CCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210759 [0,2,0,0,0,0|2,0,0]=4 10698 B15R0.81 CCCCCCCCNCCNC(=O)NC 34a_100015205895_100000210759 [0,2,0,0,0,0|2,0,0]=4 10699 B15R0.81 CCCCCCCCNCCOC(=O)NC 34a_100000229939_200011997002 [0,2,0,0,0,0|2,0,0]=4 10700 B15R0.81 CCCCCCCCOC/C=C/C(=O)OC 34a_100000210232_100000742655 [0,2,0,0,0,0|0,0,2]=4 10701 B15R0.81 CCCCCCCCOC/C=C/C(=O)OC 7a_100000210232_100000742655 [0,2,0,0,0,0|0,0,2]=4 10702 B15R0.81 CCCCCCCCOCCCC(=O)NC 34a_100000210232_100000741757 [0,2,0,0,0,0|1,0,0]=3 10703 B15R0.81 CCCCCCCCOCCCC(=O)NC 7a_100000210232_100000741757 [0,2,0,0,0,0|1,0,0]=3 10704 B15R0.81 CCCCCCCCOCCCC(=O)NN 34a_100000211488_100000210759 [0,2,0,0,0,0|1,0,0]=3 10705 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [0,2,0,0,0,0|0,0,0]=2 10706 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [0,2,0,0,0,0|0,0,0]=2 10707 B15R0.81 CCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210759 [0,2,0,0,0,0|2,0,0]=4 10708 B15R0.81 CCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210759 [0,2,0,0,0,0|2,0,0]=4 10709 B15R0.81 CCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210759 [0,2,0,0,0,0|1,0,0]=3 10710 B15R0.81 CCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210759 [0,2,0,0,0,0|2,0,0]=4 10711 B15R0.81 CCCCCCCCOCCOC(=O)NC 34a_100000210232_200011997002 [0,2,0,0,0,0|2,0,0]=4 10712 B15R0.81 CCCCCCCCOCCOC(=O)NC 7a_100000210232_200011997002 [0,2,0,0,0,0|2,0,0]=4 10713 B15R0.81 CCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210759 [0,2,0,0,0,0|1,0,0]=3 10714 B15R0.81 CCCCCCCCSC/C=C/C(=O)OC 62a_100000210759_100000742655 [0,2,0,0,0,0|0,0,2]=4 10715 B15R0.81 CCCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210317 [0,2,0,0,0,0|0,0,2]=4 10716 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000210759_100000741757 [0,2,0,0,0,0|1,0,0]=3 10717 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210317 [0,2,0,0,0,0|1,0,0]=3 10718 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [0,2,0,0,0,0|0,0,0]=2 10719 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [0,2,0,0,0,0|0,0,0]=2 10720 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_100000210759_200011997002 [0,2,0,0,0,0|2,0,0]=4 10721 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210317 [0,2,0,0,0,0|2,0,0]=4 10722 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [0,2,0,0,0,0|0,0,0]=2 10723 B15R0.81 CCCCCCCNCCOCC(=O)OC 2230a_100000229938_100000090808 [0,2,0,0,0,0|1,0,0]=3 10724 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [0,2,0,0,0,0|0,0,0]=2 10725 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [0,2,0,0,0,0|0,0,0]=2 10726 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [0,2,0,0,0,0|0,0,0]=2 10727 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [0,2,0,0,0,0|0,0,0]=2 10728 B15R0.81 CCCCCCCOCCOCC(=O)OC 34a_100000210272_100000090808 [0,2,0,0,0,0|1,0,0]=3 10729 B15R0.81 CCCCCCCOCCOCC(=O)OC 7a_100000210272_100000090808 [0,2,0,0,0,0|1,0,0]=3 10730 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [0,2,0,0,0,0|0,0,0]=2 10731 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [0,2,0,0,0,0|0,0,0]=2 10732 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210316 [0,2,0,0,0,0|1,0,0]=3 10733 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000210614_100000090808 [0,2,0,0,0,0|1,0,0]=3 10734 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [0,2,0,0,0,0|0,0,0]=2 10735 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [0,2,0,0,0,0|0,0,0]=2 10736 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [0,2,0,0,0,0|0,0,0]=2 10737 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [0,2,0,0,0,0|0,0,0]=2 10738 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [0,2,0,0,0,0|0,0,0]=2 10739 B15R0.81 CCCCCCOCCOCCC(=O)NC 34a_100000691444_100012179268 [0,2,0,0,0,0|2,0,0]=4 10740 B15R0.81 CCCCCCOCCOCCC(=O)NC 7a_100000691444_100000737683 [0,2,0,0,0,0|2,0,0]=4 10741 B15R0.81 CCCCCCOCCOCCC(=O)OC 34a_100000691444_100000742370 [0,2,0,0,0,0|1,0,0]=3 10742 B15R0.81 CCCCCCOCCOCCC(=O)OC 7a_100000691444_100000204255 [0,2,0,0,0,0|1,0,0]=3 10743 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [0,2,0,0,0,0|0,0,0]=2 10744 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [0,2,0,0,0,0|0,0,0]=2 10745 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [0,2,0,0,0,0|0,0,0]=2 10746 B15R0.81 CCCCCNCCOCCCC(=O)NC 34a_100000224656_100000741757 [0,2,0,0,0,0|2,0,0]=4 10747 B15R0.81 CCCCCNCCOCCCC(=O)OC 34a_100000224656_100000742333 [0,2,0,0,0,0|1,0,0]=3 10748 B15R0.81 CCCCCNN=CCCCCC(=O)OC 4a_100000694160_100000052768 [0,2,0,0,0,0|1,0,1]=4 10749 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [0,2,0,0,0,0|0,0,0]=2 10750 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [0,2,0,0,0,0|0,0,0]=2 10751 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [0,2,0,0,0,0|0,0,0]=2 10752 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [0,2,0,0,0,0|0,0,0]=2 10753 B15R0.81 CCCCCOCCOCCCC(=O)NC 34a_100011215259_100000741757 [0,2,0,0,0,0|2,0,0]=4 10754 B15R0.81 CCCCCOCCOCCCC(=O)NC 7a_100011215259_100000741757 [0,2,0,0,0,0|2,0,0]=4 10755 B15R0.81 CCCCCOCCOCCCC(=O)OC 34a_100011215259_100000742333 [0,2,0,0,0,0|1,0,0]=3 10756 B15R0.81 CCCCCOCCOCCCC(=O)OC 7a_100011215259_100011218270 [0,2,0,0,0,0|1,0,0]=3 10757 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [0,2,0,0,0,0|0,0,0]=2 10758 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [0,2,0,0,0,0|0,0,0]=2 10759 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [0,2,0,0,0,0|0,0,0]=2 10760 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [0,2,0,0,0,0|0,0,0]=2 10761 B15R0.81 CCCCNCCCCOCCC(=O)NC 34a_200011216965_100012179268 [0,2,0,0,0,0|2,0,0]=4 10762 B15R0.81 CCCCNCCCCOCCC(=O)OC 34a_200011216965_100000742370 [0,2,0,0,0,0|1,0,0]=3 10763 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [0,2,0,0,0,0|0,0,0]=2 10764 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [0,2,0,0,0,0|0,0,0]=2 10765 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [0,2,0,0,0,0|0,0,0]=2 10766 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [0,2,0,0,0,0|0,0,0]=2 10767 B15R0.81 CCCCOCCCCOCCC(=O)NC 34a_200000760531_100012179268 [0,2,0,0,0,0|2,0,0]=4 10768 B15R0.81 CCCCOCCCCOCCC(=O)NC 7a_200000760531_100000737683 [0,2,0,0,0,0|2,0,0]=4 10769 B15R0.81 CCCCOCCCCOCCC(=O)OC 34a_200000760531_100000742370 [0,2,0,0,0,0|1,0,0]=3 10770 B15R0.81 CCCCOCCCCOCCC(=O)OC 7a_200000760531_100000204255 [0,2,0,0,0,0|1,0,0]=3 10771 B15R0.81 CCCCOCCCNCCCC(=O)NC 2230a_200000211371_100000741757 [0,2,0,0,0,0|2,0,0]=4 10772 B15R0.81 CCCCOCCCNCCCC(=O)NC 34a_200000211371_100000741757 [0,2,0,0,0,0|2,0,0]=4 10773 B15R0.81 CCCCOCCCNCCCC(=O)OC 2230a_200000211371_100011218270 [0,2,0,0,0,0|1,0,0]=3 10774 B15R0.81 CCCCOCCCNCCCC(=O)OC 34a_200000211371_100000742333 [0,2,0,0,0,0|1,0,0]=3 10775 B15R0.81 CCCCOCCCOCCCC(=O)NC 34a_200011215613_100000741757 [0,2,0,0,0,0|2,0,0]=4 10776 B15R0.81 CCCCOCCCOCCCC(=O)NC 7a_200011215613_100000741757 [0,2,0,0,0,0|2,0,0]=4 10777 B15R0.81 CCCCOCCCOCCCC(=O)OC 34a_200011215613_100000742333 [0,2,0,0,0,0|1,0,0]=3 10778 B15R0.81 CCCCOCCCOCCCC(=O)OC 7a_200011215613_100011218270 [0,2,0,0,0,0|1,0,0]=3 10779 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000059025_100000743108 [0,2,0,0,0,0|1,0,0]=3 10780 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000210238_100000204269 [0,2,0,0,0,0|1,0,0]=3 10781 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000059025_100000743108 [0,2,0,0,0,0|1,0,0]=3 10782 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000210238_100000204269 [0,2,0,0,0,0|1,0,0]=3 10783 B15R0.81 CCCCOCCOCCOCC(=O)OC 34a_100000210238_100000090808 [0,2,0,0,0,0|2,0,0]=4 10784 B15R0.81 CCCCOCCOCCOCC(=O)OC 34a_100011023656_100000210210 [0,2,0,0,0,0|2,0,0]=4 10785 B15R0.81 CCCCOCCOCCOCC(=O)OC 34a_100011215186_100000747449 [0,2,0,0,0,0|2,0,0]=4 10786 B15R0.81 CCCCOCCOCCOCC(=O)OC 7a_100000210238_100000090808 [0,2,0,0,0,0|2,0,0]=4 10787 B15R0.81 CCCCOCCOCCOCC(=O)OC 7a_100011023656_100000210211 [0,2,0,0,0,0|2,0,0]=4 10788 B15R0.81 CCCCOCCOCCOCC(=O)OC 7a_100011215186_100000747449 [0,2,0,0,0,0|2,0,0]=4 10789 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000204269_100000743108 [0,2,0,0,0,0|1,0,0]=3 10790 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000743108_100000204269 [0,2,0,0,0,0|1,0,0]=3 10791 B15R0.81 CCCCOCCSCCOCC(=O)OC 62a_100000090808_100000743108 [0,2,0,0,0,0|2,0,0]=4 10792 B15R0.81 CCCCOCCSCCOCC(=O)OC 62a_100000743108_100000090808 [0,2,0,0,0,0|2,0,0]=4 10793 B15R0.81 CCCCOCOCCCCCC(=O)OC 34a_100000074720_100011995733 [0,2,0,0,0,0|1,0,0]=3 10794 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100009816466_100011995733 [0,2,0,0,0,0|1,0,0]=3 10795 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100011995733_100009816466 [0,2,0,0,0,0|1,0,0]=3 10796 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [0,2,0,0,0,0|0,0,0]=2 10797 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [0,2,0,0,0,0|0,0,0]=2 10798 B15R0.81 CCCCSCCNCCCCC(=O)OC 2230a_100025743550_100000204269 [0,2,0,0,0,0|1,0,0]=3 10799 B15R0.81 CCCCSCCNCCOCC(=O)OC 2230a_100025743550_100000090808 [0,2,0,0,0,0|2,0,0]=4 10800 B15R0.81 CCCCSCCOCCCCC(=O)OC 34a_200000230436_100000204269 [0,2,0,0,0,0|1,0,0]=3 10801 B15R0.81 CCCCSCCOCCCCC(=O)OC 7a_200000230436_100000204269 [0,2,0,0,0,0|1,0,0]=3 10802 B15R0.81 CCCCSCCOCCOCC(=O)OC 34a_200000230436_100000090808 [0,2,0,0,0,0|2,0,0]=4 10803 B15R0.81 CCCCSCCOCCOCC(=O)OC 7a_200000230436_100000090808 [0,2,0,0,0,0|2,0,0]=4 10804 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [0,2,0,0,0,0|0,0,0]=2 10805 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [0,2,0,0,0,0|0,0,0]=2 10806 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [0,2,0,0,0,0|0,0,0]=2 10807 B15R0.81 CCCOCCCNCCCCC(=O)OC 2230a_100011217757_100000204269 [0,2,0,0,0,0|1,0,0]=3 10808 B15R0.81 CCCOCCCNCCCCC(=O)OC 34a_100011217757_100000204269 [0,2,0,0,0,0|1,0,0]=3 10809 B15R0.81 CCCOCCCNCCOCC(=O)OC 2230a_100011217757_100000090808 [0,2,0,0,0,0|2,0,0]=4 10810 B15R0.81 CCCOCCCNCCOCC(=O)OC 34a_100011217757_100000090808 [0,2,0,0,0,0|2,0,0]=4 10811 B15R0.81 CCCOCCNCCCCCC(=O)OC 2230a_100161115042_100009816466 [0,2,0,0,0,0|1,0,0]=3 10812 B15R0.81 CCCOCCNCCCCCC(=O)OC 34a_100161115042_100009816466 [0,2,0,0,0,0|1,0,0]=3 10813 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000074720_100011215938 [0,2,0,0,0,0|1,0,0]=3 10814 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000752267_100009816466 [0,2,0,0,0,0|1,0,0]=3 10815 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000074720_100011215938 [0,2,0,0,0,0|1,0,0]=3 10816 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000752267_100009816466 [0,2,0,0,0,0|1,0,0]=3 10817 B15R0.81 CCCOCCOCCNCCC(=O)OC 2230a_200011904461_100000204255 [0,2,0,0,0,0|2,0,0]=4 10818 B15R0.81 CCCOCCOCCNCCC(=O)OC 34a_200011904461_100000742370 [0,2,0,0,0,0|2,0,0]=4 10819 B15R0.81 CCCOCCOCCOCCC(=O)OC 34a_100010982084_100000210303 [0,2,0,0,0,0|2,0,0]=4 10820 B15R0.81 CCCOCCOCCOCCC(=O)OC 7a_100010982084_100000210303 [0,2,0,0,0,0|2,0,0]=4 10821 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100009816466_100011215938 [0,2,0,0,0,0|1,0,0]=3 10822 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100011215938_100009816466 [0,2,0,0,0,0|1,0,0]=3 10823 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [0,2,0,0,0,0|0,0,0]=2 10824 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [0,2,0,0,0,0|0,0,0]=2 10825 B15R0.81 CCCSCCNCCCCCC(=O)OC 2230a_100020603323_100009816466 [0,2,0,0,0,0|1,0,0]=3 10826 B15R0.81 CCCSCCOCCCCCC(=O)OC 34a_200000230433_100009816466 [0,2,0,0,0,0|1,0,0]=3 10827 B15R0.81 CCCSCCOCCCCCC(=O)OC 7a_200000230433_100009816466 [0,2,0,0,0,0|1,0,0]=3 10828 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [0,2,0,0,0,0|0,0,0]=2 10829 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [0,2,0,0,0,0|0,0,0]=2 10830 B15R0.81 CCOCCCNCCCCCC(=O)OC 2230a_100000210961_100009816466 [0,2,0,0,0,0|1,0,0]=3 10831 B15R0.81 CCOCCCNCCCCCC(=O)OC 34a_100000210961_100009816466 [0,2,0,0,0,0|1,0,0]=3 10832 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000074720_100012232248 [0,2,0,0,0,0|1,0,0]=3 10833 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000757476_100009816466 [0,2,0,0,0,0|1,0,0]=3 10834 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000074720_100012232248 [0,2,0,0,0,0|1,0,0]=3 10835 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000757476_100009816466 [0,2,0,0,0,0|1,0,0]=3 10836 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100009816466_100012232248 [0,2,0,0,0,0|1,0,0]=3 10837 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100012232248_100009816466 [0,2,0,0,0,0|1,0,0]=3 10838 B15R0.81 CCOCCNCCCCCCC(=O)OC 2230a_102516460346_100009815986 [0,2,0,0,0,0|1,0,0]=3 10839 B15R0.81 CCOCCNCCCCCCC(=O)OC 34a_102516460346_100009815986 [0,2,0,0,0,0|1,0,0]=3 10840 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100000210136_100009815986 [0,2,0,0,0,0|1,0,0]=3 10841 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100009863599_100000210147 [0,2,0,0,0,0|1,0,0]=3 10842 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100000210136_100009815986 [0,2,0,0,0,0|1,0,0]=3 10843 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215890 [0,2,0,0,0,0|1,0,0]=3 10844 B15R0.81 CCOCCOCCNCCCC(=O)OC 2230a_100102712874_100011218270 [0,2,0,0,0,0|2,0,0]=4 10845 B15R0.81 CCOCCOCCNCCCC(=O)OC 34a_100102712874_100000742333 [0,2,0,0,0,0|2,0,0]=4 10846 B15R0.81 CCOCCOCCOCCCC(=O)OC 34a_100000210240_100000742333 [0,2,0,0,0,0|2,0,0]=4 10847 B15R0.81 CCOCCOCCOCCCC(=O)OC 7a_100000210240_100011218270 [0,2,0,0,0,0|2,0,0]=4 10848 B15R0.81 CCOCCOCCSCCCC(=O)OC 62a_100011211534_100011218270 [0,2,0,0,0,0|2,0,0]=4 10849 B15R0.81 CCOCCOCCSCCCC(=O)OC 62a_100011218270_100011211534 [0,2,0,0,0,0|2,0,0]=4 10850 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100000210147_100009815986 [0,2,0,0,0,0|1,0,0]=3 10851 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215890 [0,2,0,0,0,0|1,0,0]=3 10852 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100000739092_100010004213 [0,2,0,0,0,0|1,0,0]=3 10853 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100010004213_100000739092 [0,2,0,0,0,0|1,0,0]=3 10854 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [0,2,0,0,0,0|0,0,0]=2 10855 B15R0.81 CCSCCCOCCCCCC(=O)OC 34a_100011216438_100009816466 [0,2,0,0,0,0|1,0,0]=3 10856 B15R0.81 CCSCCCOCCCCCC(=O)OC 7a_100011216438_100009816466 [0,2,0,0,0,0|1,0,0]=3 10857 B15R0.81 CCSCCNCCCCCCC(=O)OC 2230a_100000106463_100009815986 [0,2,0,0,0,0|1,0,0]=3 10858 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100000212035_100009815986 [0,2,0,0,0,0|1,0,0]=3 10859 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100009863599_100000757381 [0,2,0,0,0,0|1,0,0]=3 10860 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100000212035_100009815986 [0,2,0,0,0,0|1,0,0]=3 10861 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100009863599_100000757381 [0,2,0,0,0,0|1,0,0]=3 10862 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100000757381_100009815986 [0,2,0,0,0,0|1,0,0]=3 10863 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100009815986_100000757381 [0,2,0,0,0,0|1,0,0]=3 10864 B15R0.81 CNC(=O)CCCCCCCCCCCO 240690a_100102657272_100000037981 [0,2,0,0,0,0|1,0,0]=3 10865 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100000740002_100000760002 [0,2,0,0,0,0|2,0,0]=4 10866 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 10867 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100000740002_100000760002 [0,2,0,0,0,0|2,0,0]=4 10868 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 10869 B15R0.81 CNC(=O)CCCNCCCCCCOC 2230a_100000740002_100011998445 [0,2,0,0,0,0|2,0,0]=4 10870 B15R0.81 CNC(=O)CCCNCCCCCCOC 34a_100000740002_100011998445 [0,2,0,0,0,0|2,0,0]=4 10871 B15R0.81 CNC(=O)CCCOCCCCCCCBr 34a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 10872 B15R0.81 CNC(=O)CCCOCCCCCCCBr 7a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 10873 B15R0.81 CNC(=O)CCCOCCCCCCCN 34a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 10874 B15R0.81 CNC(=O)CCCOCCCCCCOC 34a_200012092642_100000741757 [0,2,0,0,0,0|2,0,0]=4 10875 B15R0.81 CNC(=O)CCCOCCCCCCOC 7a_200012092642_100000741757 [0,2,0,0,0,0|2,0,0]=4 10876 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000741757_100000760002 [0,2,0,0,0,0|2,0,0]=4 10877 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 10878 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100000741757_100011998445 [0,2,0,0,0,0|2,0,0]=4 10879 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100011998445_100000741757 [0,2,0,0,0,0|2,0,0]=4 10880 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_100000738227_100000033203 [0,2,0,0,0,0|2,0,0]=4 10881 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737683 [0,2,0,0,0,0|2,0,0]=4 10882 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_100000738227_100000033203 [0,2,0,0,0,0|2,0,0]=4 10883 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_102515433106_100012179268 [0,2,0,0,0,0|2,0,0]=4 10884 B15R0.81 CNC(=O)CCOCCCCCCCCBr 34a_100009813846_100012179268 [0,2,0,0,0,0|2,0,0]=4 10885 B15R0.81 CNC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737683 [0,2,0,0,0,0|2,0,0]=4 10886 B15R0.81 CNC(=O)CCOCCCCCCCCCl 34a_100000033203_100012179268 [0,2,0,0,0,0|2,0,0]=4 10887 B15R0.81 CNC(=O)CCOCCCCCCCCCl 7a_100000033203_100000737683 [0,2,0,0,0,0|2,0,0]=4 10888 B15R0.81 CNC(=O)CCOCCCCCCCCN 34a_102515433106_100012179268 [0,2,0,0,0,0|2,0,0]=4 10889 B15R0.81 CNC(=O)CCOCCCCCCCCO 34a_100000754576_100000033203 [0,2,0,0,0,0|2,0,0]=4 10890 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000033203_100000737683 [0,2,0,0,0,0|2,0,0]=4 10891 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000737683_100000033203 [0,2,0,0,0,0|2,0,0]=4 10892 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183359 [0,2,0,0,0,0|2,0,0]=4 10893 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000693194_100009813782 [0,2,0,0,0,0|2,0,0]=4 10894 B15R0.81 CNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183359 [0,2,0,0,0,0|2,0,0]=4 10895 B15R0.81 CNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183359 [0,2,0,0,0,0|2,0,0]=4 10896 B15R0.81 CNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183359 [0,2,0,0,0,0|2,0,0]=4 10897 B15R0.81 CNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183359 [0,2,0,0,0,0|2,0,0]=4 10898 B15R0.81 CNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183359 [0,2,0,0,0,0|2,0,0]=4 10899 B15R0.81 CNC(=O)COCCCCCCCCCN 34a_100000078944_100000183359 [0,2,0,0,0,0|2,0,0]=4 10900 B15R0.81 CNC(=O)COCCCCCCCCCO 34a_100000750040_100009813782 [0,2,0,0,0,0|2,0,0]=4 10901 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100000183359_100009813782 [0,2,0,0,0,0|2,0,0]=4 10902 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183359 [0,2,0,0,0,0|2,0,0]=4 10903 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100000066964_106832991635 [0,2,0,0,0,0|2,0,0]=4 10904 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100102657272_100000066964 [0,2,0,0,0,0|2,0,0]=4 10905 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100102657272 [0,2,0,0,0,0|2,0,0]=4 10906 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100102657272_100000066964 [0,2,0,0,0,0|2,0,0]=4 10907 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_100000066964_100102657272 [0,2,0,0,0,0|2,0,0]=4 10908 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_106832991638_100000066964 [0,2,0,0,0,0|2,0,0]=4 10909 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [0,2,0,0,0,0|0,0,0]=2 10910 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [0,2,0,0,0,0|0,0,0]=2 10911 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [0,2,0,0,0,0|0,0,0]=2 10912 B15R0.81 CNCCCCCOCCCCC(=O)OC 34a_100000722520_100000204269 [0,2,0,0,0,0|1,0,0]=3 10913 B15R0.81 CNCCCCCOCCOCC(=O)OC 34a_100000722520_100000090808 [0,2,0,0,0,0|2,0,0]=4 10914 B15R0.81 CNCCCOCCCCCCC(=O)OC 34a_100000213112_100009815986 [0,2,0,0,0,0|1,0,0]=3 10915 B15R0.81 CNCCOCCOCCCCC(=O)OC 34a_100000228057_100000204269 [0,2,0,0,0,0|2,0,0]=4 10916 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [0,2,0,0,0,0|0,0,0]=2 10917 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [0,2,0,0,0,0|0,0,0]=2 10918 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [0,2,0,0,0,0|0,0,0]=2 10919 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [0,2,0,0,0,0|0,0,0]=2 10920 B15R0.81 COC(=O)CCCCCCCCCSCF 62a_100015361967_100009813843 [0,2,0,0,0,0|1,0,0]=3 10921 B15R0.81 COC(=O)CCCCCCCCNCCF 34a_100000724931_100010282707 [0,2,0,0,0,0|1,0,0]=3 10922 B15R0.81 COC(=O)CCCCCCCCNCCO 2230a_100016997473_100010282707 [0,2,0,0,0,0|1,0,0]=3 10923 B15R0.81 COC(=O)CCCCCCCCNCCO 34a_100016990907_100010282707 [0,2,0,0,0,0|1,0,0]=3 10924 B15R0.81 COC(=O)CCCCCCCCOCC#N 7a_100000035544_100011215382 [0,2,0,0,0,0|1,0,1]=4 10925 B15R0.81 COC(=O)CCCCCCCCOCC=O 34a_100000035544_200009817547 [0,2,0,0,0,0|1,0,1]=4 10926 B15R0.81 COC(=O)CCCCCCCCOCC=O 7a_100000035544_200015260668 [0,2,0,0,0,0|1,0,1]=4 10927 B15R0.81 COC(=O)CCCCCCCCOCCBr 34a_100000211926_100010282707 [0,2,0,0,0,0|1,0,0]=3 10928 B15R0.81 COC(=O)CCCCCCCCOCCF 34a_100000035544_100011217306 [0,2,0,0,0,0|1,0,0]=3 10929 B15R0.81 COC(=O)CCCCCCCCOCCF 7a_100000035544_100011217306 [0,2,0,0,0,0|1,0,0]=3 10930 B15R0.81 COC(=O)CCCCCCCCOCCN 34a_100000210304_100010282707 [0,2,0,0,0,0|1,0,0]=3 10931 B15R0.81 COC(=O)CCCCCCCCOCCO 34a_100000035544_100000211926 [0,2,0,0,0,0|1,0,0]=3 10932 B15R0.81 COC(=O)CCCCCCCCOCCO 7a_100000035544_100000211926 [0,2,0,0,0,0|1,0,0]=3 10933 B15R0.81 COC(=O)CCCCCCCCOCSC 34a_100000035544_100011218213 [0,2,0,0,0,0|1,0,0]=3 10934 B15R0.81 COC(=O)CCCCCCCCSCC#N 62a_100010282707_100011215382 [0,2,0,0,0,0|1,0,1]=4 10935 B15R0.81 COC(=O)CCCCCCCCSCC#N 62a_100011215382_100010282707 [0,2,0,0,0,0|1,0,1]=4 10936 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_100010282707_200015260668 [0,2,0,0,0,0|1,0,1]=4 10937 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_200015260668_100010282707 [0,2,0,0,0,0|1,0,1]=4 10938 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100010282707_100011217306 [0,2,0,0,0,0|1,0,0]=3 10939 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100011217306_100010282707 [0,2,0,0,0,0|1,0,0]=3 10940 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100000211926_100010282707 [0,2,0,0,0,0|1,0,0]=3 10941 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100010282707_100000211926 [0,2,0,0,0,0|1,0,0]=3 10942 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100010282707_100011218213 [0,2,0,0,0,0|1,0,0]=3 10943 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100011218213_100010282707 [0,2,0,0,0,0|1,0,0]=3 10944 B15R0.81 COC(=O)CCCCCCCNCCCF 2230a_100015189416_100010004213 [0,2,0,0,0,0|1,0,0]=3 10945 B15R0.81 COC(=O)CCCCCCCNCCCF 34a_100015189416_100010004213 [0,2,0,0,0,0|1,0,0]=3 10946 B15R0.81 COC(=O)CCCCCCCNCCSC 2230a_100020590264_100010004213 [0,2,0,0,0,0|1,0,0]=3 10947 B15R0.81 COC(=O)CCCCCCCOCCC#N 7a_100011022521_100000184422 [0,2,0,0,0,0|1,0,1]=4 10948 B15R0.81 COC(=O)CCCCCCCOCCCBr 34a_100011217188_100010004213 [0,2,0,0,0,0|1,0,0]=3 10949 B15R0.81 COC(=O)CCCCCCCOCCCCl 34a_100000230001_100010004213 [0,2,0,0,0,0|1,0,0]=3 10950 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100000759539_100010004213 [0,2,0,0,0,0|1,0,0]=3 10951 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100011022521_100011934791 [0,2,0,0,0,0|1,0,0]=3 10952 B15R0.81 COC(=O)CCCCCCCOCCCF 7a_100011022521_100011934791 [0,2,0,0,0,0|1,0,0]=3 10953 B15R0.81 COC(=O)CCCCCCCOCCCN 34a_100000182051_100010004213 [0,2,0,0,0,0|1,0,0]=3 10954 B15R0.81 COC(=O)CCCCCCCOCCCO 34a_100011022521_100000230001 [0,2,0,0,0,0|1,0,0]=3 10955 B15R0.81 COC(=O)CCCCCCCOCCCO 7a_100011022521_100011215043 [0,2,0,0,0,0|1,0,0]=3 10956 B15R0.81 COC(=O)CCCCCCCOCCON 34a_100000700252_100010004213 [0,2,0,0,0,0|2,0,0]=4 10957 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100000230434_100010004213 [0,2,0,0,0,0|1,0,0]=3 10958 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100011022521_100000212216 [0,2,0,0,0,0|1,0,0]=3 10959 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100000230434_100010004213 [0,2,0,0,0,0|1,0,0]=3 10960 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100011022521_100000212216 [0,2,0,0,0,0|1,0,0]=3 10961 B15R0.81 COC(=O)CCCCCCCSCCC#N 62a_100010004213_100011215226 [0,2,0,0,0,0|1,0,1]=4 10962 B15R0.81 COC(=O)CCCCCCCSCCC#N 62a_100011215226_100010004213 [0,2,0,0,0,0|1,0,1]=4 10963 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100010004213_100011934791 [0,2,0,0,0,0|1,0,0]=3 10964 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100011934791_100010004213 [0,2,0,0,0,0|1,0,0]=3 10965 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100010004213_100011215043 [0,2,0,0,0,0|1,0,0]=3 10966 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100011215043_100010004213 [0,2,0,0,0,0|1,0,0]=3 10967 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100000212216_100010004213 [0,2,0,0,0,0|1,0,0]=3 10968 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100010004213_100000751147 [0,2,0,0,0,0|1,0,0]=3 10969 B15R0.81 COC(=O)CCCCCCNCCCCO 2230a_100000750430_100009815986 [0,2,0,0,0,0|1,0,0]=3 10970 B15R0.81 COC(=O)CCCCCCNCCCCO 34a_100000750430_100009815986 [0,2,0,0,0,0|1,0,0]=3 10971 B15R0.81 COC(=O)CCCCCCNCCCSC 2230a_100000749238_100009815986 [0,2,0,0,0,0|1,0,0]=3 10972 B15R0.81 COC(=O)CCCCCCOCCCC#N 7a_100009863599_100000687738 [0,2,0,0,0,0|1,0,1]=4 10973 B15R0.81 COC(=O)CCCCCCOCCCC=O 7a_100009863599_200011292268 [0,2,0,0,0,0|1,0,1]=4 10974 B15R0.81 COC(=O)CCCCCCOCCCCBr 34a_100011216708_100009815986 [0,2,0,0,0,0|1,0,0]=3 10975 B15R0.81 COC(=O)CCCCCCOCCCCCl 34a_100000210776_100009815986 [0,2,0,0,0,0|1,0,0]=3 10976 B15R0.81 COC(=O)CCCCCCOCCCCCl 7a_100000210776_100009815986 [0,2,0,0,0,0|1,0,0]=3 10977 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100009863599_100000729493 [0,2,0,0,0,0|1,0,0]=3 10978 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100011995726_100009815986 [0,2,0,0,0,0|1,0,0]=3 10979 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100009863599_100000729493 [0,2,0,0,0,0|1,0,0]=3 10980 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100011995726_100009815986 [0,2,0,0,0,0|1,0,0]=3 10981 B15R0.81 COC(=O)CCCCCCOCCCCI 34a_200012148704_100009815986 [0,2,0,0,0,0|1,0,0]=3 10982 B15R0.81 COC(=O)CCCCCCOCCCCN 34a_100000750430_100009815986 [0,2,0,0,0,0|1,0,0]=3 10983 B15R0.81 COC(=O)CCCCCCOCCCCO 34a_100009863599_100011216708 [0,2,0,0,0,0|1,0,0]=3 10984 B15R0.81 COC(=O)CCCCCCOCCCCO 7a_100009863599_100000210776 [0,2,0,0,0,0|1,0,0]=3 10985 B15R0.81 COC(=O)CCCCCCOCCCSC 34a_100000690336_100009815986 [0,2,0,0,0,0|1,0,0]=3 10986 B15R0.81 COC(=O)CCCCCCOCCCSC 7a_100000690336_100009815986 [0,2,0,0,0,0|1,0,0]=3 10987 B15R0.81 COC(=O)CCCCCCSCCCC#N 62a_100000687738_100009815986 [0,2,0,0,0,0|1,0,1]=4 10988 B15R0.81 COC(=O)CCCCCCSCCCC#N 62a_100009815986_100000687738 [0,2,0,0,0,0|1,0,1]=4 10989 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_100009815986_200011292268 [0,2,0,0,0,0|1,0,1]=4 10990 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_200011292268_100009815986 [0,2,0,0,0,0|1,0,1]=4 10991 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100000729493_100009815986 [0,2,0,0,0,0|1,0,0]=3 10992 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100009815986_100000729493 [0,2,0,0,0,0|1,0,0]=3 10993 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100000210776_100009815986 [0,2,0,0,0,0|1,0,0]=3 10994 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100009815986_100000210776 [0,2,0,0,0,0|1,0,0]=3 10995 B15R0.81 COC(=O)CCCCCNCCCCCO 2230a_100000762737_100009816466 [0,2,0,0,0,0|1,0,0]=3 10996 B15R0.81 COC(=O)CCCCCNCCCCCO 34a_100000762737_100009816466 [0,2,0,0,0,0|1,0,0]=3 10997 B15R0.81 COC(=O)CCCCCNCCOCCO 2230a_100000211614_100009816466 [0,2,0,0,0,0|2,0,0]=4 10998 B15R0.81 COC(=O)CCCCCNCCOCCO 34a_100000211614_100009816466 [0,2,0,0,0,0|2,0,0]=4 10999 B15R0.81 COC(=O)CCCCCNCCSCCO 2230a_100011219999_100009816466 [0,2,0,0,0,0|2,0,0]=4 11000 B15R0.81 COC(=O)CCCCCOCCCCC#N 7a_100000074720_100000211819 [0,2,0,0,0,0|1,0,1]=4 11001 B15R0.81 COC(=O)CCCCCOCCCCC=O 7a_100000074720_100000139335 [0,2,0,0,0,0|1,0,1]=4 11002 B15R0.81 COC(=O)CCCCCOCCCCCBr 34a_100000746331_100009816466 [0,2,0,0,0,0|1,0,0]=3 11003 B15R0.81 COC(=O)CCCCCOCCCCCBr 7a_100000746331_100009816466 [0,2,0,0,0,0|1,0,0]=3 11004 B15R0.81 COC(=O)CCCCCOCCCCCCl 34a_100000746330_100009816466 [0,2,0,0,0,0|1,0,0]=3 11005 B15R0.81 COC(=O)CCCCCOCCCCCCl 7a_100000746330_100009816466 [0,2,0,0,0,0|1,0,0]=3 11006 B15R0.81 COC(=O)CCCCCOCCCCCF 34a_100000074720_100000729378 [0,2,0,0,0,0|1,0,0]=3 11007 B15R0.81 COC(=O)CCCCCOCCCCCF 7a_100000074720_100000729378 [0,2,0,0,0,0|1,0,0]=3 11008 B15R0.81 COC(=O)CCCCCOCCCCCI 34a_200012148887_100009816466 [0,2,0,0,0,0|1,0,0]=3 11009 B15R0.81 COC(=O)CCCCCOCCCCCI 7a_200012148887_100009816466 [0,2,0,0,0,0|1,0,0]=3 11010 B15R0.81 COC(=O)CCCCCOCCCCCN 34a_100000762737_100009816466 [0,2,0,0,0,0|1,0,0]=3 11011 B15R0.81 COC(=O)CCCCCOCCCCCO 34a_100000074720_100000746330 [0,2,0,0,0,0|1,0,0]=3 11012 B15R0.81 COC(=O)CCCCCOCCCCCO 7a_100000074720_100000746330 [0,2,0,0,0,0|1,0,0]=3 11013 B15R0.81 COC(=O)CCCCCOCCCCSC 34a_100011217163_100009816466 [0,2,0,0,0,0|1,0,0]=3 11014 B15R0.81 COC(=O)CCCCCOCCCCSC 7a_100011217163_100009816466 [0,2,0,0,0,0|1,0,0]=3 11015 B15R0.81 COC(=O)CCCCCOCCOCCBr 34a_100000692535_100009816466 [0,2,0,0,0,0|2,0,0]=4 11016 B15R0.81 COC(=O)CCCCCOCCOCCBr 7a_100000692535_100009816466 [0,2,0,0,0,0|2,0,0]=4 11017 B15R0.81 COC(=O)CCCCCOCCOCCCl 34a_100011215305_100009816466 [0,2,0,0,0,0|2,0,0]=4 11018 B15R0.81 COC(=O)CCCCCOCCOCCCl 7a_100011215305_100009816466 [0,2,0,0,0,0|2,0,0]=4 11019 B15R0.81 COC(=O)CCCCCOCCOCCF 34a_200015357709_100009816466 [0,2,0,0,0,0|2,0,0]=4 11020 B15R0.81 COC(=O)CCCCCOCCOCCF 7a_200015357709_100009816466 [0,2,0,0,0,0|2,0,0]=4 11021 B15R0.81 COC(=O)CCCCCOCCOCCI 34a_100012149058_100009816466 [0,2,0,0,0,0|2,0,0]=4 11022 B15R0.81 COC(=O)CCCCCOCCOCCI 7a_100012149058_100009816466 [0,2,0,0,0,0|2,0,0]=4 11023 B15R0.81 COC(=O)CCCCCOCCOCCN 34a_100000211614_100009816466 [0,2,0,0,0,0|2,0,0]=4 11024 B15R0.81 COC(=O)CCCCCOCCOCCO 34a_100000074720_100000692535 [0,2,0,0,0,0|2,0,0]=4 11025 B15R0.81 COC(=O)CCCCCOCCOCCO 7a_100000074720_100011215305 [0,2,0,0,0,0|2,0,0]=4 11026 B15R0.81 COC(=O)CCCCCSCCCCC#N 62a_100009816466_100000211819 [0,2,0,0,0,0|1,0,1]=4 11027 B15R0.81 COC(=O)CCCCCSCCCCC#N 62a_100011219923_100009816466 [0,2,0,0,0,0|1,0,1]=4 11028 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100000139335_100009816466 [0,2,0,0,0,0|1,0,1]=4 11029 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100009816466_100000139335 [0,2,0,0,0,0|1,0,1]=4 11030 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100000729378_100009816466 [0,2,0,0,0,0|1,0,0]=3 11031 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100009816466_100000729378 [0,2,0,0,0,0|1,0,0]=3 11032 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100000746330_100009816466 [0,2,0,0,0,0|1,0,0]=3 11033 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100009816466_100000746330 [0,2,0,0,0,0|1,0,0]=3 11034 B15R0.81 COC(=O)CCCCCSCCOCCO 62a_100009816466_100011215305 [0,2,0,0,0,0|2,0,0]=4 11035 B15R0.81 COC(=O)CCCCCSCCOCCO 62a_100011215305_100009816466 [0,2,0,0,0,0|2,0,0]=4 11036 B15R0.81 COC(=O)CCCCNCCCCCCO 2230a_100000686447_100000204269 [0,2,0,0,0,0|1,0,0]=3 11037 B15R0.81 COC(=O)CCCCNCCCCCCO 34a_100000686447_100000204269 [0,2,0,0,0,0|1,0,0]=3 11038 B15R0.81 COC(=O)CCCCOCCCCCC#N 7a_100000059025_100009813376 [0,2,0,0,0,0|1,0,1]=4 11039 B15R0.81 COC(=O)CCCCOCCCCCC=O 7a_100000059025_100000139337 [0,2,0,0,0,0|1,0,1]=4 11040 B15R0.81 COC(=O)CCCCOCCCCCCBr 34a_100011215345_100000204269 [0,2,0,0,0,0|1,0,0]=3 11041 B15R0.81 COC(=O)CCCCOCCCCCCBr 7a_100011215345_100000204269 [0,2,0,0,0,0|1,0,0]=3 11042 B15R0.81 COC(=O)CCCCOCCCCCCCl 34a_100000766143_100000204269 [0,2,0,0,0,0|1,0,0]=3 11043 B15R0.81 COC(=O)CCCCOCCCCCCCl 7a_100000766143_100000204269 [0,2,0,0,0,0|1,0,0]=3 11044 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000059025_100015922095 [0,2,0,0,0,0|1,0,0]=3 11045 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000732779_100000204269 [0,2,0,0,0,0|1,0,0]=3 11046 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000059025_100015922095 [0,2,0,0,0,0|1,0,0]=3 11047 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000732779_100000204269 [0,2,0,0,0,0|1,0,0]=3 11048 B15R0.81 COC(=O)CCCCOCCCCCCN 34a_100000686447_100000204269 [0,2,0,0,0,0|1,0,0]=3 11049 B15R0.81 COC(=O)CCCCOCCCCCCO 34a_100000059025_100000766143 [0,2,0,0,0,0|1,0,0]=3 11050 B15R0.81 COC(=O)CCCCOCCCCCCO 7a_100000059025_100000766143 [0,2,0,0,0,0|1,0,0]=3 11051 B15R0.81 COC(=O)CCCCSCCCCCC#N 62a_100000204269_100009813376 [0,2,0,0,0,0|1,0,1]=4 11052 B15R0.81 COC(=O)CCCCSCCCCCC#N 62a_100009813376_100000204269 [0,2,0,0,0,0|1,0,1]=4 11053 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000139337_100000204269 [0,2,0,0,0,0|1,0,1]=4 11054 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000204269_100000139337 [0,2,0,0,0,0|1,0,1]=4 11055 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100000204269_100015922095 [0,2,0,0,0,0|1,0,0]=3 11056 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100015922095_100000204269 [0,2,0,0,0,0|1,0,0]=3 11057 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000204269_100000766143 [0,2,0,0,0,0|1,0,0]=3 11058 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000766143_100000204269 [0,2,0,0,0,0|1,0,0]=3 11059 B15R0.81 COC(=O)CCCNCCCCCCCO 2230a_100011996573_100011218270 [0,2,0,0,0,0|1,0,0]=3 11060 B15R0.81 COC(=O)CCCNCCCCCCCO 34a_100011996573_100000742333 [0,2,0,0,0,0|1,0,0]=3 11061 B15R0.81 COC(=O)CCCNCCCOCCCO 2230a_100011310245_100011218270 [0,2,0,0,0,0|2,0,0]=4 11062 B15R0.81 COC(=O)CCCNCCCOCCCO 34a_100011310245_100000742333 [0,2,0,0,0,0|2,0,0]=4 11063 B15R0.81 COC(=O)CCCOCCCCCCCBr 34a_100000760002_100000742333 [0,2,0,0,0,0|1,0,0]=3 11064 B15R0.81 COC(=O)CCCOCCCCCCCBr 7a_100000760002_100011218270 [0,2,0,0,0,0|1,0,0]=3 11065 B15R0.81 COC(=O)CCCOCCCCCCCN 34a_100011996573_100000742333 [0,2,0,0,0,0|1,0,0]=3 11066 B15R0.81 COC(=O)CCCOCCCOCCCN 34a_100011310245_100000742333 [0,2,0,0,0,0|2,0,0]=4 11067 B15R0.81 COC(=O)CCCSCCCCCCC#N 62a_100009813337_100011218270 [0,2,0,0,0,0|1,0,1]=4 11068 B15R0.81 COC(=O)CCCSCCCCCCC#N 62a_100011218270_100009813337 [0,2,0,0,0,0|1,0,1]=4 11069 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100000760002_100011218270 [0,2,0,0,0,0|1,0,0]=3 11070 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100011218270_100000760002 [0,2,0,0,0,0|1,0,0]=3 11071 B15R0.81 COC(=O)CCNCCCCCCCCO 2230a_102515433106_100000204255 [0,2,0,0,0,0|1,0,0]=3 11072 B15R0.81 COC(=O)CCNCCCCCCCCO 34a_102515433106_100000742370 [0,2,0,0,0,0|1,0,0]=3 11073 B15R0.81 COC(=O)CCOCCCCCCCCBr 34a_100009813846_100000742370 [0,2,0,0,0,0|1,0,0]=3 11074 B15R0.81 COC(=O)CCOCCCCCCCCBr 7a_100009813846_100000204255 [0,2,0,0,0,0|1,0,0]=3 11075 B15R0.81 COC(=O)CCOCCCCCCCCCl 34a_100000033203_100000742370 [0,2,0,0,0,0|1,0,0]=3 11076 B15R0.81 COC(=O)CCOCCCCCCCCCl 7a_100000033203_100000204255 [0,2,0,0,0,0|1,0,0]=3 11077 B15R0.81 COC(=O)CCOCCCCCCCCN 34a_102515433106_100000742370 [0,2,0,0,0,0|1,0,0]=3 11078 B15R0.81 COC(=O)CCOCCCCCNCCN 34a_103619048469_100000742370 [0,2,0,0,0,0|2,0,0]=4 11079 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000033203_100000204255 [0,2,0,0,0,0|1,0,0]=3 11080 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000204255_100000033203 [0,2,0,0,0,0|1,0,0]=3 11081 B15R0.81 COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747449 [0,2,0,0,0,0|1,0,0]=3 11082 B15R0.81 COC(=O)CNCCCCCCCCCO 34a_100000078944_100000747449 [0,2,0,0,0,0|1,0,0]=3 11083 B15R0.81 COC(=O)COCCCCCCCCCBr 34a_100009813782_100000747449 [0,2,0,0,0,0|1,0,0]=3 11084 B15R0.81 COC(=O)COCCCCCCCCCBr 7a_100009813782_100000747449 [0,2,0,0,0,0|1,0,0]=3 11085 B15R0.81 COC(=O)COCCCCCCCCCCl 34a_100009868337_100000747449 [0,2,0,0,0,0|1,0,0]=3 11086 B15R0.81 COC(=O)COCCCCCCCCCCl 7a_100009868337_100000747449 [0,2,0,0,0,0|1,0,0]=3 11087 B15R0.81 COC(=O)COCCCCCCCCCN 34a_100000078944_100000747449 [0,2,0,0,0,0|1,0,0]=3 11088 B15R0.81 COC(=O)COCCNCCCCCCO 2230a_100000686447_100000090808 [0,2,0,0,0,0|2,0,0]=4 11089 B15R0.81 COC(=O)COCCNCCCCCCO 34a_100000686447_100000090808 [0,2,0,0,0,0|2,0,0]=4 11090 B15R0.81 COC(=O)COCCOCCCCCCBr 34a_100011215345_100000090808 [0,2,0,0,0,0|2,0,0]=4 11091 B15R0.81 COC(=O)COCCOCCCCCCBr 7a_100011215345_100000090808 [0,2,0,0,0,0|2,0,0]=4 11092 B15R0.81 COC(=O)COCCOCCCCCCCl 34a_100000766143_100000090808 [0,2,0,0,0,0|2,0,0]=4 11093 B15R0.81 COC(=O)COCCOCCCCCCCl 7a_100000766143_100000090808 [0,2,0,0,0,0|2,0,0]=4 11094 B15R0.81 COC(=O)COCCOCCCCCCF 34a_100000732779_100000090808 [0,2,0,0,0,0|2,0,0]=4 11095 B15R0.81 COC(=O)COCCOCCCCCCF 7a_100000732779_100000090808 [0,2,0,0,0,0|2,0,0]=4 11096 B15R0.81 COC(=O)COCCOCCCCCCN 34a_100000686447_100000090808 [0,2,0,0,0,0|2,0,0]=4 11097 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100000090808_100015922095 [0,2,0,0,0,0|2,0,0]=4 11098 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100015922095_100000090808 [0,2,0,0,0,0|2,0,0]=4 11099 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000090808_100000766143 [0,2,0,0,0,0|2,0,0]=4 11100 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000766143_100000090808 [0,2,0,0,0,0|2,0,0]=4 11101 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100000747449_100009813782 [0,2,0,0,0,0|1,0,0]=3 11102 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100009813782_100000747449 [0,2,0,0,0,0|1,0,0]=3 11103 B15R0.81 COC(=O)NCCOCCCCCCCO 34a_100000757965_100000760002 [0,2,0,0,0,0|2,0,0]=4 11104 B15R0.81 COC(=O)OCCOCCCCCCCO 34a_100010262106_100000760002 [0,2,0,0,0,0|2,0,0]=4 11105 B15R0.81 COC(=O)OCSCCCCCCCCO 62a_100000033203_100000139417 [0,2,0,0,0,0|2,0,0]=4 11106 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [0,2,0,0,0,0|0,0,0]=2 11107 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [0,2,0,0,0,0|0,0,0]=2 11108 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [0,2,0,0,0,0|0,0,0]=2 11109 B15R0.81 COCCCCCCOCCCC(=O)NN 34a_100000211488_100011998445 [0,2,0,0,0,0|2,0,0]=4 11110 B15R0.81 COCCCCCCOCCCC(=O)OC 34a_200012092642_100000742333 [0,2,0,0,0,0|1,0,0]=3 11111 B15R0.81 COCCCCCCOCCCC(=O)OC 7a_200012092642_100011218270 [0,2,0,0,0,0|1,0,0]=3 11112 B15R0.81 COCCCCCCOCCNC(=O)OC 34a_100000757965_100011998445 [0,2,0,0,0,0|2,0,0]=4 11113 B15R0.81 COCCCCCCOCCOC(=O)OC 34a_100010262106_100011998445 [0,2,0,0,0,0|2,0,0]=4 11114 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011218270_100011998445 [0,2,0,0,0,0|1,0,0]=3 11115 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011998445_100011218270 [0,2,0,0,0,0|1,0,0]=3 11116 B15R0.81 COCCCCCNCCCCC(=O)OC 2230a_100000747528_100000204269 [0,2,0,0,0,0|1,0,0]=3 11117 B15R0.81 COCCCCCNCCCCC(=O)OC 34a_100000747528_100000204269 [0,2,0,0,0,0|1,0,0]=3 11118 B15R0.81 COCCCCCNCCOCC(=O)OC 2230a_100000747528_100000090808 [0,2,0,0,0,0|2,0,0]=4 11119 B15R0.81 COCCCCCNCCOCC(=O)OC 34a_100000747528_100000090808 [0,2,0,0,0,0|2,0,0]=4 11120 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000074720_100000755781 [0,2,0,0,0,0|1,0,0]=3 11121 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000740925_100009816466 [0,2,0,0,0,0|1,0,0]=3 11122 B15R0.81 COCCCCOCCCCCC(=O)OC 7a_100000074720_100000730899 [0,2,0,0,0,0|1,0,0]=3 11123 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100000730899_100009816466 [0,2,0,0,0,0|1,0,0]=3 11124 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100009816466_100000730899 [0,2,0,0,0,0|1,0,0]=3 11125 B15R0.81 COCCCNCCCCCCC(=O)OC 34a_100150723488_100009815986 [0,2,0,0,0,0|1,0,0]=3 11126 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100000740835_100009815986 [0,2,0,0,0,0|1,0,0]=3 11127 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100009863599_100000740836 [0,2,0,0,0,0|1,0,0]=3 11128 B15R0.81 COCCCOCCCCCCC(=O)OC 7a_100009863599_100000740836 [0,2,0,0,0,0|1,0,0]=3 11129 B15R0.81 COCCCOCCCOCCC(=O)OC 34a_200011215475_100000742370 [0,2,0,0,0,0|2,0,0]=4 11130 B15R0.81 COCCCOCCCOCCC(=O)OC 7a_200011215475_100000204255 [0,2,0,0,0,0|2,0,0]=4 11131 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100000709357_100009815986 [0,2,0,0,0,0|1,0,0]=3 11132 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100009815986_100000709357 [0,2,0,0,0,0|1,0,0]=3 11133 B15R0.81 COCCNCCCCCCCC(=O)OC 2230a_100000209980_100010004213 [0,2,0,0,0,0|1,0,0]=3 11134 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100000210237_100010004213 [0,2,0,0,0,0|1,0,0]=3 11135 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100011022521_100011201679 [0,2,0,0,0,0|1,0,0]=3 11136 B15R0.81 COCCOCCCCCCCC(=O)OC 7a_100011022521_100000233755 [0,2,0,0,0,0|1,0,0]=3 11137 B15R0.81 COCCOCCCNCCCC(=O)OC 2230a_100000206027_100011218270 [0,2,0,0,0,0|2,0,0]=4 11138 B15R0.81 COCCOCCCNCCCC(=O)OC 34a_100000206027_100000742333 [0,2,0,0,0,0|2,0,0]=4 11139 B15R0.81 COCCOCCCSCCCC(=O)OC 62a_100011216529_100011218270 [0,2,0,0,0,0|2,0,0]=4 11140 B15R0.81 COCCOCCCSCCCC(=O)OC 62a_100011218270_100011216529 [0,2,0,0,0,0|2,0,0]=4 11141 B15R0.81 COCCOCCNCCCCC(=O)OC 2230a_100000745349_100000204269 [0,2,0,0,0,0|2,0,0]=4 11142 B15R0.81 COCCOCCNCCCCC(=O)OC 34a_100000745349_100000204269 [0,2,0,0,0,0|2,0,0]=4 11143 B15R0.81 COCCOCCOCCCCC(=O)OC 34a_100000059025_100000695917 [0,2,0,0,0,0|2,0,0]=4 11144 B15R0.81 COCCOCCOCCCCC(=O)OC 34a_100011215163_100000204269 [0,2,0,0,0,0|2,0,0]=4 11145 B15R0.81 COCCOCCOCCCCC(=O)OC 7a_100000059025_100000695917 [0,2,0,0,0,0|2,0,0]=4 11146 B15R0.81 COCCOCCOCCCCC(=O)OC 7a_100011215163_100000204269 [0,2,0,0,0,0|2,0,0]=4 11147 B15R0.81 COCCOCCSCCCCC(=O)OC 62a_100000204269_100000695917 [0,2,0,0,0,0|2,0,0]=4 11148 B15R0.81 COCCOCCSCCCCC(=O)OC 62a_100000695917_100000204269 [0,2,0,0,0,0|2,0,0]=4 11149 B15R0.81 COCCOCSCCCCCC(=O)OC 62a_100000231047_100009816466 [0,2,0,0,0,0|2,0,0]=4 11150 B15R0.81 COCCOCSCCCCCC(=O)OC 62a_100009816466_100000231047 [0,2,0,0,0,0|2,0,0]=4 11151 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100000233755_100010004213 [0,2,0,0,0,0|1,0,0]=3 11152 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100010004213_100000233755 [0,2,0,0,0,0|1,0,0]=3 11153 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100000766300_100010282707 [0,2,0,0,0,0|1,0,0]=3 11154 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100010282707_100000766300 [0,2,0,0,0,0|1,0,0]=3 11155 B15R0.81 NC(=NO)CCOCCCCCCCCO 34a_100000749954_100000033203 [0,2,0,0,0,0|2,0,0]=4 11156 B15R0.81 NNC(=O)CCCOCCCCCCCO 34a_100000211488_100000760002 [0,2,0,0,0,0|2,0,0]=4 11157 B15R0.81 O=C(CO)CCCCCCCCCCCO 1458a_100000210174_100009812471 [0,2,0,0,0,0|0,0,0]=2 11158 B15R0.81 O=C(CO)NCCCCCCCCCCO 240690a_100000066964_100000210174 [0,2,0,0,0,0|1,0,0]=3 11159 B15R0.84 C#CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100153394163 [0,2,0,0,0,0|0,0,2]=4 11160 B15R0.84 C#CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100153394163 [0,2,0,0,0,0|0,0,2]=4 11161 B15R0.84 C=C(Br)C(=O)NCCCCCCCCCC 11a_100000684558_100009813364 [0,2,0,0,0,0|2,0,0]=4 11162 B15R0.84 C=C(Br)C(=O)NCCCCCCCCCC 1626a_100000684558_100009813364 [0,2,0,0,0,0|2,0,0]=4 11163 B15R0.84 C=C(C)C(=O)CCCCCCCCCCO 1458a_100000185857_100009813290 [0,2,0,0,0,0|2,0,0]=4 11164 B15R0.84 C=C(C)C(=O)NCCCCCCCCCC 11a_100000684558_100000185857 [0,2,0,0,0,0|2,0,0]=4 11165 B15R0.84 C=C(C)C(=O)NCCCCCCCCCC 1626a_100000684558_100000185857 [0,2,0,0,0,0|2,0,0]=4 11166 B15R0.84 C=C(C)C(C)NCCCCCCCCCC 269862a_100000684558_100011216138 [0,2,0,0,0,0|2,0,0]=4 11167 B15R0.84 C=C(Cl)C(=O)NCCCCCCCCCC 11a_100000684558_100000039160 [0,2,0,0,0,0|2,0,0]=4 11168 B15R0.84 C=C(Cl)C(=O)NCCCCCCCCCC 1626a_100000684558_100000039160 [0,2,0,0,0,0|2,0,0]=4 11169 B15R0.84 C=C(F)C(=O)NCCCCCCCCCC 11a_100000684558_100000036797 [0,2,0,0,0,0|2,0,0]=4 11170 B15R0.84 C=C(F)C(=O)NCCCCCCCCCC 1626a_100000684558_100000036797 [0,2,0,0,0,0|2,0,0]=4 11171 B15R0.84 C=CCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100009814027 [0,2,0,0,0,0|0,0,2]=4 11172 B15R0.84 C=CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009814027 [0,2,0,0,0,0|0,0,2]=4 11173 B15R0.84 C=CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009814027 [0,2,0,0,0,0|0,0,2]=4 11174 B15R0.84 C=CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011933949 [0,2,0,0,0,0|0,0,2]=4 11175 B15R0.84 C=CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100012355270 [0,2,0,0,0,0|0,0,2]=4 11176 B15R0.84 C=CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100012355270 [0,2,0,0,0,0|0,0,2]=4 11177 B15R0.84 CC(=O)C(C)COCCCCCCCCO 34a_100000032740_100000033203 [0,2,0,0,0,0|2,0,0]=4 11178 B15R0.84 CC(=O)C(C)COCCCCCCCCO 7a_100000032740_100000033203 [0,2,0,0,0,0|2,0,0]=4 11179 B15R0.84 CC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100009814033 [0,2,0,0,0,0|2,0,0]=4 11180 B15R0.84 CC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000179758 [0,2,0,0,0,0|2,0,0]=4 11181 B15R0.84 CC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000179758 [0,2,0,0,0,0|2,0,0]=4 11182 B15R0.84 CC(=O)C(C)OCCCCCCCCCO 34a_100000212229_100009813782 [0,2,0,0,0,0|2,0,0]=4 11183 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100009814033 [0,2,0,0,0,0|2,0,0]=4 11184 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009814033_100009813782 [0,2,0,0,0,0|2,0,0]=4 11185 B15R0.84 CC(C)C(=O)CCCCCCCCCCO 1458a_100000210198_100009813290 [0,2,0,0,0,0|2,0,0]=4 11186 B15R0.84 CC(CNCCCCCCCCO)C(=O)O 269956a_100000749485_100000033203 [0,2,0,0,0,0|1,0,0]=3 11187 B15R0.84 CC(F)C(=O)CCCCCCCCCCO 1458a_100000062450_100009813290 [0,2,0,0,0,0|2,0,0]=4 11188 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 2230a_100000078944_100000702099 [0,2,0,0,0,0|2,0,0]=4 11189 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 34a_100000078944_100000702099 [0,2,0,0,0,0|2,0,0]=4 11190 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 34a_100009813782_100000702099 [0,2,0,0,0,0|2,0,0]=4 11191 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 7a_100009813782_100000702099 [0,2,0,0,0,0|2,0,0]=4 11192 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 34a_100009868337_100000702099 [0,2,0,0,0,0|2,0,0]=4 11193 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 7a_100009868337_100000702099 [0,2,0,0,0,0|2,0,0]=4 11194 B15R0.84 CC(OCCCCCCCCCN)C(=O)N 34a_100000078944_100000702099 [0,2,0,0,0,0|2,0,0]=4 11195 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100000702099_100009813782 [0,2,0,0,0,0|2,0,0]=4 11196 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100009813782_100000702099 [0,2,0,0,0,0|2,0,0]=4 11197 B15R0.84 CCC#CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_200000036426 [0,2,0,0,0,0|0,0,2]=4 11198 B15R0.84 CCCCC#CCCCNCC(C)C(=O)O 269956a_100000749485_200000047210 [0,2,0,0,0,0|0,0,2]=4 11199 B15R0.84 CCCCC#CCCCNCC(F)C(=O)O 269956a_100000084737_200000047210 [0,2,0,0,0,0|0,0,2]=4 11200 B15R0.84 CCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100011215454 [0,2,0,0,0,0|1,0,0]=3 11201 B15R0.84 CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011215454 [0,2,0,0,0,0|0,0,0]=2 11202 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210736 [0,2,0,0,0,0|1,0,0]=3 11203 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210736 [0,2,0,0,0,0|1,0,0]=3 11204 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210736 [0,2,0,0,0,0|1,0,0]=3 11205 B15R0.84 CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215454 [0,2,0,0,0,0|0,0,0]=2 11206 B15R0.84 CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215454 [0,2,0,0,0,0|0,0,0]=2 11207 B15R0.84 CCCCCCCCCCNC(=O)C(=O)N 240690a_100000684558_100011215815 [0,2,0,0,0,0|1,0,1]=4 11208 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 11a_100000684558_100000210198 [0,2,0,0,0,0|2,0,0]=4 11209 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 1626a_100000684558_100000210198 [0,2,0,0,0,0|2,0,0]=4 11210 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 240690a_100000684558_100000210198 [0,2,0,0,0,0|2,0,0]=4 11211 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 527a_100000684558_100000210198 [0,2,0,0,0,0|2,0,0]=4 11212 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 11a_100000684558_100000062450 [0,2,0,0,0,0|2,0,0]=4 11213 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 1626a_100000684558_100000062450 [0,2,0,0,0,0|2,0,0]=4 11214 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 240690a_100000684558_100000062450 [0,2,0,0,0,0|2,0,0]=4 11215 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 527a_100000684558_100000062450 [0,2,0,0,0,0|2,0,0]=4 11216 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 11a_100000684558_100000210393 [0,2,0,0,0,0|2,0,0]=4 11217 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 1626a_100000684558_100000210393 [0,2,0,0,0,0|2,0,0]=4 11218 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 240690a_100000684558_100000210393 [0,2,0,0,0,0|2,0,0]=4 11219 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 527a_100000684558_100000210393 [0,2,0,0,0,0|2,0,0]=4 11220 B15R0.84 CCCCCCCCCCNC(=O)C(O)O 240690a_100000684558_100000233687 [0,2,0,0,0,0|1,0,0]=3 11221 B15R0.84 CCCCCCCCCCNC(=O)N(C)C 2708a_100000684558_100102631434 [0,2,0,0,0,0|2,0,0]=4 11222 B15R0.84 CCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000684558_100000717761 [0,2,0,0,0,0|1,0,0]=3 11223 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000684558_217856618621 [0,2,0,0,0,0|1,0,0]=3 11224 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000684558_217856618621 [0,2,0,0,0,0|1,0,0]=3 11225 B15R0.84 CCCCCCCCCCNC(C)C(=O)C 2230a_100000684558_100009814033 [0,2,0,0,0,0|1,0,0]=3 11226 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 2230a_100000684558_100000702099 [0,2,0,0,0,0|1,0,0]=3 11227 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 34a_100000684558_100000702099 [0,2,0,0,0,0|1,0,0]=3 11228 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 2230a_100000684558_100009813875 [0,2,0,0,0,0|1,0,0]=3 11229 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 34a_100000684558_100009813875 [0,2,0,0,0,0|1,0,0]=3 11230 B15R0.84 CCCCCCCCCCNC(F)C(=O)[O-] 34a_100000684558_100020610796 [0,2,0,0,0,0|0,0,1]=3 11231 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [0,2,0,0,0,0|0,0,0]=2 11232 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210320 [0,2,0,0,0,0|1,0,0]=3 11233 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210320 [0,2,0,0,0,0|1,0,0]=3 11234 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210320 [0,2,0,0,0,0|1,0,0]=3 11235 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 7a_100000210711_100000179758 [0,2,0,0,0,0|1,0,0]=3 11236 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 34a_100000210711_100000702099 [0,2,0,0,0,0|1,0,0]=3 11237 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 7a_100000210711_100000702099 [0,2,0,0,0,0|1,0,0]=3 11238 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 34a_100000210711_100009813875 [0,2,0,0,0,0|1,0,0]=3 11239 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 7a_100000210711_100009813875 [0,2,0,0,0,0|1,0,0]=3 11240 B15R0.84 CCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210711_100020610796 [0,2,0,0,0,0|0,0,1]=3 11241 B15R0.84 CCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210320 [0,2,0,0,0,0|0,0,1]=3 11242 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210320 [0,2,0,0,0,0|1,0,0]=3 11243 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210320 [0,2,0,0,0,0|1,0,0]=3 11244 B15R0.84 CCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210320 [0,2,0,0,0,0|1,0,0]=3 11245 B15R0.84 CCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210320 [0,2,0,0,0,0|1,0,0]=3 11246 B15R0.84 CCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210320 [0,2,0,0,0,0|1,0,0]=3 11247 B15R0.84 CCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210320 [0,2,0,0,0,0|0,0,1]=3 11248 B15R0.84 CCCCCCCCCNCC(=O)C(=O)C 34a_100000212291_100011261029 [0,2,0,0,0,0|1,0,1]=4 11249 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 2230a_100000212291_100000753385 [0,2,0,0,0,0|2,0,0]=4 11250 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 34a_100000212291_100000753385 [0,2,0,0,0,0|2,0,0]=4 11251 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 2230a_100000212291_100000185267 [0,2,0,0,0,0|2,0,0]=4 11252 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011214924 [0,2,0,0,0,0|2,0,0]=4 11253 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 34a_100000212291_100000692301 [0,2,0,0,0,0|2,0,0]=4 11254 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [0,2,0,0,0,0|0,0,0]=2 11255 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [0,2,0,0,0,0|0,0,0]=2 11256 B15R0.84 CCCCCCCCCOCC(=O)C(=O)C 34a_100000210712_100011261029 [0,2,0,0,0,0|1,0,1]=4 11257 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 34a_100000210712_100000753385 [0,2,0,0,0,0|2,0,0]=4 11258 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 7a_100000210712_100000753385 [0,2,0,0,0,0|2,0,0]=4 11259 B15R0.84 CCCCCCCCCOCC(=O)N(C)C 34a_100000210712_100000692301 [0,2,0,0,0,0|2,0,0]=4 11260 B15R0.84 CCCCCCCCCOCC(=O)N(C)C 7a_100000210712_100000692301 [0,2,0,0,0,0|2,0,0]=4 11261 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [0,2,0,0,0,0|1,0,0]=3 11262 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [0,2,0,0,0,0|1,0,0]=3 11263 B15R0.84 CCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011214924 [0,2,0,0,0,0|1,0,1]=4 11264 B15R0.84 CCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210328 [0,2,0,0,0,0|1,0,1]=4 11265 B15R0.84 CCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011214924 [0,2,0,0,0,0|1,0,0]=3 11266 B15R0.84 CCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210670 [0,2,0,0,0,0|1,0,1]=4 11267 B15R0.84 CCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210670 [0,2,0,0,0,0|2,0,0]=4 11268 B15R0.84 CCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210670 [0,2,0,0,0,0|2,0,0]=4 11269 B15R0.84 CCCCCCCCNCCC(=O)N(C)C 2230a_100000229939_100000737620 [0,2,0,0,0,0|2,0,0]=4 11270 B15R0.84 CCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210759 [0,2,0,0,0,0|2,0,0]=4 11271 B15R0.84 CCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210759 [0,2,0,0,0,0|2,0,0]=4 11272 B15R0.84 CCCCCCCCOCCC(=O)N(C)C 7a_100000210232_100000737620 [0,2,0,0,0,0|2,0,0]=4 11273 B15R0.84 CCCCCCCCSCCC(=O)N(C)C 62a_100000210759_100000737620 [0,2,0,0,0,0|2,0,0]=4 11274 B15R0.84 CCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210317 [0,2,0,0,0,0|2,0,0]=4 11275 B15R0.84 CCCCCCCNCCCC(=O)N(C)C 2230a_100000229938_100000737642 [0,2,0,0,0,0|2,0,0]=4 11276 B15R0.84 CCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210681 [0,2,0,0,0,0|2,0,0]=4 11277 B15R0.84 CCCCCCCOCCCC(=O)N(C)C 7a_100000210272_100000737642 [0,2,0,0,0,0|2,0,0]=4 11278 B15R0.84 CCCCCCCSCCCC(=O)N(C)C 62a_100000210614_100000737642 [0,2,0,0,0,0|2,0,0]=4 11279 B15R0.84 CCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210316 [0,2,0,0,0,0|2,0,0]=4 11280 B15R0.84 CCCCCCOCCCCC(=O)N(C)C 34a_100000210259_100000752486 [0,2,0,0,0,0|2,0,0]=4 11281 B15R0.84 CCCCCCOCCCCC(=O)N(C)C 7a_100000210259_100000752486 [0,2,0,0,0,0|2,0,0]=4 11282 B15R0.84 CCCCCCSCCCCC(=O)N(C)C 62a_100000210314_100000752486 [0,2,0,0,0,0|2,0,0]=4 11283 B15R0.84 CCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210757 [0,2,0,0,0,0|2,0,0]=4 11284 B15R0.84 CN(C)C(=O)CCCCCCCCCCO 240690a_100102631434_200000016029 [0,2,0,0,0,0|2,0,0]=4 11285 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813782 [0,2,0,0,0,0|2,0,0]=4 11286 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 34a_100000119354_100009813782 [0,2,0,0,0,0|2,0,0]=4 11287 B15R0.84 C[C@@H](O)C(=O)CCCCCCCCCCO 1458a_100000717761_100009813290 [0,2,0,0,0,0|1,0,0]=3 11288 B15R0.84 C[C@@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_100000717761 [0,2,0,0,0,0|2,0,0]=4 11289 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 34a_100000731257_100009813782 [0,2,0,0,0,0|2,0,0]=4 11290 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 7a_100000731257_100009813782 [0,2,0,0,0,0|2,0,0]=4 11291 B15R0.84 C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813782 [0,2,0,0,0,0|1,0,0]=3 11292 B15R0.84 C[C@H](O)C(=O)CCCCCCCCCCO 1458a_217856618621_100009813290 [0,2,0,0,0,0|1,0,0]=3 11293 B15R0.84 C[C@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_217856618621 [0,2,0,0,0,0|2,0,0]=4 11294 B15R0.84 C[C@H](OCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813782 [0,2,0,0,0,0|1,0,1]=4 11295 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 2230a_100000078944_100009813875 [0,2,0,0,0,0|2,0,0]=4 11296 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 34a_100000078944_100009813875 [0,2,0,0,0,0|2,0,0]=4 11297 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 34a_100009813782_100009813875 [0,2,0,0,0,0|2,0,0]=4 11298 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 7a_100009813782_100009813875 [0,2,0,0,0,0|2,0,0]=4 11299 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 34a_100009868337_100009813875 [0,2,0,0,0,0|2,0,0]=4 11300 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 7a_100009868337_100009813875 [0,2,0,0,0,0|2,0,0]=4 11301 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813782_100009813875 [0,2,0,0,0,0|2,0,0]=4 11302 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813875_100009813782 [0,2,0,0,0,0|2,0,0]=4 11303 B15R0.84 NC(=O)[C@@H](N)COCCCCCCCCO 34a_100000729942_100000033203 [0,2,0,0,0,0|2,0,0]=4 11304 B15R0.84 NCCCCCCCCCOC(F)C(=O)N 34a_100000078944_100009813875 [0,2,0,0,0,0|2,0,0]=4 11305 B15R0.84 NCCCCCCCCCOC(F)C(=O)[O-] 34a_100000078944_100020610796 [0,2,0,0,0,0|1,0,1]=4 11306 B15R0.84 O=C(CCCCCCCCCCO)C(O)O 1458a_100000233687_100009813290 [0,2,0,0,0,0|1,0,0]=3 11307 B15R0.84 O=C(NCCCCCCCCCO)C(O)O 240690a_100000078944_100000233687 [0,2,0,0,0,0|2,0,0]=4 11308 B15R0.84 O=C(O)C(F)CNCCCCCCCCO 269956a_100000084737_100000033203 [0,2,0,0,0,0|1,0,0]=3 11309 B15R0.84 O=C([O-])C(F)NCCCCCCCCCO 34a_100000078944_100020610796 [0,2,0,0,0,0|1,0,1]=4 11310 B15R0.84 O=C([O-])C(F)OCCCCCCCCCBr 34a_100009813782_100020610796 [0,2,0,0,0,0|1,0,1]=4 11311 B15R0.84 O=C([O-])C(F)OCCCCCCCCCCl 34a_100009868337_100020610796 [0,2,0,0,0,0|1,0,1]=4 11312 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100009813782_100020610796 [0,2,0,0,0,0|1,0,1]=4 11313 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100020610796_100009813782 [0,2,0,0,0,0|1,0,1]=4 11314 B15R0.189 CCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210757 [0,2,0,0,0,0|0,0,1]=3 11315 B15R0.189 CCCCCCC(=O)CCCCC(=O)OC 1458a_100102632555_100000204269 [0,2,0,0,0,0|0,0,1]=3 11316 B15R0.189 CCCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210757 [0,2,0,0,0,0|1,0,1]=4 11317 B15R0.189 CCCCCCC(=O)CCOCC(=O)OC 1458a_100102632555_100000090808 [0,2,0,0,0,0|1,0,1]=4 11318 B15R0.189 CCCCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100102632555 [0,2,0,0,0,0|1,0,1]=4 11319 B15R0.189 CCCCCCC(C)CCOCC(=O)CC 7a_200011024964_100000747405 [0,2,0,0,0,0|2,0,0]=4 11320 B15R0.189 CCCCCCC(C)CCOCC(=O)NC 34a_200011024964_100000183359 [0,2,0,0,0,0|2,0,0]=4 11321 B15R0.189 CCCCCCC(C)CCOCC(=O)NC 7a_200011024964_100000183359 [0,2,0,0,0,0|2,0,0]=4 11322 B15R0.189 CCCCCCC(C)CCOCC(=O)OC 34a_200011024964_100000747449 [0,2,0,0,0,0|1,0,0]=3 11323 B15R0.189 CCCCCCC(C)CCOCC(=O)OC 7a_200011024964_100000747449 [0,2,0,0,0,0|1,0,0]=3 11324 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 2230a_100000210919_100000741757 [0,2,0,0,0,0|2,0,0]=4 11325 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 2230a_100000740002_100011215978 [0,2,0,0,0,0|2,0,0]=4 11326 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 270004a_100000740002_100000210826 [0,2,0,0,0,0|2,0,0]=4 11327 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 34a_100000210919_100000741757 [0,2,0,0,0,0|2,0,0]=4 11328 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 34a_100000740002_100011215978 [0,2,0,0,0,0|2,0,0]=4 11329 B15R0.189 CCCCCCC(C)NCCCC(=O)OC 2230a_100000210919_100011218270 [0,2,0,0,0,0|1,0,0]=3 11330 B15R0.189 CCCCCCC(C)NCCCC(=O)OC 34a_100000210919_100000742333 [0,2,0,0,0,0|1,0,0]=3 11331 B15R0.189 CCCCCCC(C)OCCCC(=O)NC 34a_100000210265_100000741757 [0,2,0,0,0,0|2,0,0]=4 11332 B15R0.189 CCCCCCC(C)OCCCC(=O)NC 7a_100000210265_100000741757 [0,2,0,0,0,0|2,0,0]=4 11333 B15R0.189 CCCCCCC(C)OCCCC(=O)NN 34a_100000211488_100011215978 [0,2,0,0,0,0|2,0,0]=4 11334 B15R0.189 CCCCCCC(C)OCCCC(=O)OC 34a_100000210265_100000742333 [0,2,0,0,0,0|1,0,0]=3 11335 B15R0.189 CCCCCCC(C)OCCCC(=O)OC 7a_100000210265_100011218270 [0,2,0,0,0,0|1,0,0]=3 11336 B15R0.189 CCCCCCC(C)OCCNC(=O)OC 34a_100000757965_100011215978 [0,2,0,0,0,0|2,0,0]=4 11337 B15R0.189 CCCCCCC(C)OCCOC(=O)OC 34a_100010262106_100011215978 [0,2,0,0,0,0|2,0,0]=4 11338 B15R0.189 CCCCCCC(C)SCCCC(=O)NC 62a_100000741757_100011215978 [0,2,0,0,0,0|2,0,0]=4 11339 B15R0.189 CCCCCCC(C)SCCCC(=O)NC 62a_100011215978_100000741757 [0,2,0,0,0,0|2,0,0]=4 11340 B15R0.189 CCCCCCC(C)SCCCC(=O)OC 62a_100011215978_100011218270 [0,2,0,0,0,0|1,0,0]=3 11341 B15R0.189 CCCCCCC(C)SCCCC(=O)OC 62a_100011218270_100011215978 [0,2,0,0,0,0|1,0,0]=3 11342 B15R0.189 CCCCCCN(C)CCCCC(=O)OC 2230a_106256046315_100000204269 [0,2,0,0,0,0|1,0,0]=3 11343 B15R0.189 CCCCCCN(C)CCCCC(=O)OC 269982a_106256046315_100000204269 [0,2,0,0,0,0|1,0,0]=3 11344 B15R0.189 CCCCCCN(C)CCOCC(=O)OC 2230a_106256046315_100000090808 [0,2,0,0,0,0|2,0,0]=4 11345 B15R0.189 CCCCCNC(=O)CCCCC(=O)OC 11a_100000209983_100000695723 [0,2,0,0,0,0|1,0,1]=4 11346 B15R0.189 CCCCCNC(=O)CCCCC(=O)OC 1626a_100000209983_100000695723 [0,2,0,0,0,0|1,0,1]=4 11347 B15R0.189 CCCCCNC(=O)CCCCC(=O)OC 240690a_100000209983_100000695723 [0,2,0,0,0,0|1,0,1]=4 11348 B15R0.189 CCCCCNC(=O)CCCCC(=O)OC 527a_100000209983_100000695723 [0,2,0,0,0,0|1,0,1]=4 11349 B15R0.189 CCCCOCC(=O)CCCCC(=O)OC 1458a_100000695723_100011995733 [0,2,0,0,0,0|1,0,1]=4 11350 B15R0.189 CCCCOCC(=O)CCCCC(=O)OC 1458a_100000757543_100000204269 [0,2,0,0,0,0|1,0,1]=4 11351 B15R0.189 CCCCOCC(C)OCCCC(=O)OC 34a_100011217071_100000742333 [0,2,0,0,0,0|2,0,0]=4 11352 B15R0.189 CCCCOCC(C)OCCCC(=O)OC 7a_100011217071_100011218270 [0,2,0,0,0,0|2,0,0]=4 11353 B15R0.189 CCCCSCC(=O)CCCCC(=O)OC 1458a_100000191162_100000204269 [0,2,0,0,0,0|1,0,1]=4 11354 B15R0.189 CCCOCCC(=O)CCCCC(=O)OC 1458a_100000695723_100011215938 [0,2,0,0,0,0|1,0,1]=4 11355 B15R0.189 CCOCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100012232248 [0,2,0,0,0,0|1,0,1]=4 11356 B15R0.189 COC(=O)CCCCC(=O)CCCCCF 1458a_100000695723_100000729378 [0,2,0,0,0,0|1,0,1]=4 11357 B15R0.189 COC(=O)CCCCC(=O)CCCCCO 1458a_100000695723_100000746330 [0,2,0,0,0,0|1,0,1]=4 11358 B15R0.189 COC(=O)CCCCC(=O)CCCCCO 1458a_100102619762_100000204269 [0,2,0,0,0,0|1,0,1]=4 11359 B15R0.189 COC(=O)CCCCN(C)CCCCCO 2230a_100000722520_100000204269 [0,2,0,0,0,0|2,0,0]=4 11360 B15R0.189 COC(=O)CCCCN(C)CCCCCO 269982a_100000722520_100000204269 [0,2,0,0,0,0|2,0,0]=4 11361 B15R0.189 COCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000755781 [0,2,0,0,0,0|1,0,1]=4 11362 B15R0.324 C=C(CNCCCCCCCC)C(=O)OC 34a_100000229939_100009813391 [0,2,0,0,0,0|1,0,1]=4 11363 B15R0.324 C=C(COCCCCCCCC)C(=O)OC 34a_100000210232_100009813391 [0,2,0,0,0,0|1,0,1]=4 11364 B15R0.324 C=C(CSCCCCCCCC)C(=O)OC 62a_100000210759_100009813391 [0,2,0,0,0,0|1,0,1]=4 11365 B15R0.324 C=C(CSCCCCCCCC)C(=O)OC 62a_100009813391_100000210317 [0,2,0,0,0,0|1,0,1]=4 11366 B15R0.324 C=CC(=O)N(C)CCCCCCCCCC 1626a_100000207566_100000185746 [0,2,0,0,0,0|2,0,0]=4 11367 B15R0.324 C=CC(=O)N(C)CCCCCCCCCC 240690a_100000207566_200121576911 [0,2,0,0,0,0|2,0,0]=4 11368 B15R0.324 CCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210319 [0,2,0,0,0,0|1,0,1]=4 11369 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 11a_100000207566_100000210414 [0,2,0,0,0,0|2,0,0]=4 11370 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 1626a_100000207566_100000210414 [0,2,0,0,0,0|2,0,0]=4 11371 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 240690a_100000207566_100000210414 [0,2,0,0,0,0|2,0,0]=4 11372 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 527a_100000207566_100000210414 [0,2,0,0,0,0|2,0,0]=4 11373 B15R0.324 CCCCCCCCCCN(C)C(=O)CO 240690a_100000207566_100000210174 [0,2,0,0,0,0|1,0,0]=3 11374 B15R0.324 CCCCCCCCCCN(C)C(=O)CO 527a_100000207566_100000210174 [0,2,0,0,0,0|1,0,0]=3 11375 B15R0.324 CCCCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000207566 [0,2,0,0,0,0|2,0,0]=4 11376 B15R0.324 CCCCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000207566 [0,2,0,0,0,0|2,0,0]=4 11377 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 11a_100000212291_100000024059 [0,2,0,0,0,0|1,0,1]=4 11378 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 1626a_100000212291_100000024059 [0,2,0,0,0,0|1,0,1]=4 11379 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 240690a_100000212291_100000024059 [0,2,0,0,0,0|1,0,1]=4 11380 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 527a_100000212291_100000024059 [0,2,0,0,0,0|1,0,1]=4 11381 B15R0.324 CCCCCCCCCNC(C)C(=O)CC 2230a_100000212291_100000742827 [0,2,0,0,0,0|2,0,0]=4 11382 B15R0.324 CCCCCCCCCNC(C)C(=O)NC 2230a_100000212291_100000731044 [0,2,0,0,0,0|2,0,0]=4 11383 B15R0.324 CCCCCCCCCNC(C)C(=O)NC 34a_100000212291_100000731044 [0,2,0,0,0,0|2,0,0]=4 11384 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 2230a_100000212291_100000211248 [0,2,0,0,0,0|1,0,0]=3 11385 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 34a_100000212291_100000211248 [0,2,0,0,0,0|1,0,0]=3 11386 B15R0.324 CCCCCCCCCNC(F)C(=O)NC 2230a_100000212291_100009813575 [0,2,0,0,0,0|2,0,0]=4 11387 B15R0.324 CCCCCCCCCNC(F)C(=O)NC 34a_100000212291_100009813575 [0,2,0,0,0,0|2,0,0]=4 11388 B15R0.324 CCCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011214924 [0,2,0,0,0,0|2,0,0]=4 11389 B15R0.324 CCCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100011214924 [0,2,0,0,0,0|2,0,0]=4 11390 B15R0.324 CCCCCCCCCOC(C)C(=O)CC 7a_100000210712_100000742827 [0,2,0,0,0,0|2,0,0]=4 11391 B15R0.324 CCCCCCCCCOC(C)C(=O)NC 34a_100000210712_100000731044 [0,2,0,0,0,0|2,0,0]=4 11392 B15R0.324 CCCCCCCCCOC(C)C(=O)NC 7a_100000210712_100000209862 [0,2,0,0,0,0|2,0,0]=4 11393 B15R0.324 CCCCCCCCCOC(C)C(=O)NN 34a_100000725659_100011214924 [0,2,0,0,0,0|2,0,0]=4 11394 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100000210712_100000211248 [0,2,0,0,0,0|1,0,0]=3 11395 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100011214924 [0,2,0,0,0,0|1,0,0]=3 11396 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 7a_100000210712_100000211248 [0,2,0,0,0,0|1,0,0]=3 11397 B15R0.324 CCCCCCCCCOC(F)C(=O)NC 34a_100000210712_100009813575 [0,2,0,0,0,0|2,0,0]=4 11398 B15R0.324 CCCCCCCCCOC(F)C(=O)NC 7a_100000210712_100009813575 [0,2,0,0,0,0|2,0,0]=4 11399 B15R0.324 CCCCCCCCCSC(C)C(=O)CC 62a_100000742827_100000210670 [0,2,0,0,0,0|2,0,0]=4 11400 B15R0.324 CCCCCCCCCSC(C)C(=O)NC 62a_100000209862_100000210670 [0,2,0,0,0,0|2,0,0]=4 11401 B15R0.324 CCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210670 [0,2,0,0,0,0|1,0,0]=3 11402 B15R0.324 CCCCCCCCCSC(F)C(=O)NC 62a_100009813575_100000210670 [0,2,0,0,0,0|2,0,0]=4 11403 B15R0.324 CCCCCCCCNCC(=O)C(=O)OC 34a_100000229939_100011610305 [0,2,0,0,0,0|1,0,1]=4 11404 B15R0.324 CCCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210759 [0,2,0,0,0,0|2,0,0]=4 11405 B15R0.324 CCCCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210759 [0,2,0,0,0,0|2,0,0]=4 11406 B15R0.324 CCCCCCCCNCC(C)C(=O)OC 34a_100000229939_100000698445 [0,2,0,0,0,0|1,0,0]=3 11407 B15R0.324 CCCCCCCCOCC(=O)C(=O)OC 34a_100000210232_100011610305 [0,2,0,0,0,0|1,0,1]=4 11408 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000210232_100000698445 [0,2,0,0,0,0|1,0,0]=3 11409 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210759 [0,2,0,0,0,0|1,0,0]=3 11410 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210759 [0,2,0,0,0,0|1,0,0]=3 11411 B15R0.324 CCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210759 [0,2,0,0,0,0|1,0,0]=3 11412 B15R0.324 CCCCCCCCOCC(N)C(=O)NN 34a_100016989258_100000210759 [0,2,0,0,0,0|2,0,0]=4 11413 B15R0.324 CCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210759 [0,2,0,0,0,0|1,0,0]=3 11414 B15R0.324 CCCCCCCCSCC(=O)C(=O)OC 62a_100000210759_100011610305 [0,2,0,0,0,0|1,0,1]=4 11415 B15R0.324 CCCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210317 [0,2,0,0,0,0|1,0,1]=4 11416 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000210759_100000698445 [0,2,0,0,0,0|1,0,0]=3 11417 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210317 [0,2,0,0,0,0|1,0,0]=3 11418 B15R0.324 CCCCCCCNCCC(C)C(=O)OC 2230a_100000229938_100000034942 [0,2,0,0,0,0|1,0,0]=3 11419 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 34a_100000210272_100000034942 [0,2,0,0,0,0|1,0,0]=3 11420 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 7a_100000210272_100000034942 [0,2,0,0,0,0|1,0,0]=3 11421 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210316 [0,2,0,0,0,0|1,0,0]=3 11422 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000210614_100000034942 [0,2,0,0,0,0|1,0,0]=3 11423 B15R0.324 CCCCCCOCCOC(C)C(=O)OC 34a_100000691444_100000211248 [0,2,0,0,0,0|2,0,0]=4 11424 B15R0.324 CCCCCCOCCOC(C)C(=O)OC 7a_100000691444_100000211248 [0,2,0,0,0,0|2,0,0]=4 11425 B15R0.324 CCCCCNCCOCC(C)C(=O)OC 34a_100000224656_100000698445 [0,2,0,0,0,0|2,0,0]=4 11426 B15R0.324 CCCCCOCCOCC(C)C(=O)OC 34a_100011215259_100000698445 [0,2,0,0,0,0|2,0,0]=4 11427 B15R0.324 CCCCNCCCCOC(C)C(=O)OC 34a_200011216965_100000211248 [0,2,0,0,0,0|2,0,0]=4 11428 B15R0.324 CCCCOCCCCOC(C)C(=O)OC 34a_200000760531_100000211248 [0,2,0,0,0,0|2,0,0]=4 11429 B15R0.324 CCCCOCCCCOC(C)C(=O)OC 7a_200000760531_100000211248 [0,2,0,0,0,0|2,0,0]=4 11430 B15R0.324 CCCCOCCCNCC(C)C(=O)OC 34a_200000211371_100000698445 [0,2,0,0,0,0|2,0,0]=4 11431 B15R0.324 CCCCOCCCOCC(C)C(=O)OC 34a_200011215613_100000698445 [0,2,0,0,0,0|2,0,0]=4 11432 B15R0.324 CCCCOCCOCCC(C)C(=O)OC 34a_100000210238_100000034942 [0,2,0,0,0,0|2,0,0]=4 11433 B15R0.324 CCCCOCCOCCC(C)C(=O)OC 7a_100000210238_100000034942 [0,2,0,0,0,0|2,0,0]=4 11434 B15R0.324 CCCCOCCSCCC(C)C(=O)OC 62a_100000034942_100000743108 [0,2,0,0,0,0|2,0,0]=4 11435 B15R0.324 CCCCOCCSCCC(C)C(=O)OC 62a_100000743108_100000034942 [0,2,0,0,0,0|2,0,0]=4 11436 B15R0.324 CCCCSCCNCCC(C)C(=O)OC 2230a_100025743550_100000034942 [0,2,0,0,0,0|2,0,0]=4 11437 B15R0.324 CCCCSCCOCCC(C)C(=O)OC 34a_200000230436_100000034942 [0,2,0,0,0,0|2,0,0]=4 11438 B15R0.324 CCCCSCCOCCC(C)C(=O)OC 7a_200000230436_100000034942 [0,2,0,0,0,0|2,0,0]=4 11439 B15R0.324 CCCOCCCNCCC(C)C(=O)OC 2230a_100011217757_100000034942 [0,2,0,0,0,0|2,0,0]=4 11440 B15R0.324 CCCOCCCNCCC(C)C(=O)OC 34a_100011217757_100000034942 [0,2,0,0,0,0|2,0,0]=4 11441 B15R0.324 CNCCCCCOCCC(C)C(=O)OC 34a_100000722520_100000034942 [0,2,0,0,0,0|2,0,0]=4 11442 B15R0.324 COC(=O)C(C)CCNCCCCCCO 2230a_100000686447_100000034942 [0,2,0,0,0,0|2,0,0]=4 11443 B15R0.324 COC(=O)C(C)CCNCCCCCCO 34a_100000686447_100000034942 [0,2,0,0,0,0|2,0,0]=4 11444 B15R0.324 COC(=O)C(C)CCOCCCCCCBr 34a_100011215345_100000034942 [0,2,0,0,0,0|2,0,0]=4 11445 B15R0.324 COC(=O)C(C)CCOCCCCCCBr 7a_100011215345_100000034942 [0,2,0,0,0,0|2,0,0]=4 11446 B15R0.324 COC(=O)C(C)CCOCCCCCCCl 34a_100000766143_100000034942 [0,2,0,0,0,0|2,0,0]=4 11447 B15R0.324 COC(=O)C(C)CCOCCCCCCCl 7a_100000766143_100000034942 [0,2,0,0,0,0|2,0,0]=4 11448 B15R0.324 COC(=O)C(C)CCOCCCCCCF 34a_100000732779_100000034942 [0,2,0,0,0,0|2,0,0]=4 11449 B15R0.324 COC(=O)C(C)CCOCCCCCCF 7a_100000732779_100000034942 [0,2,0,0,0,0|2,0,0]=4 11450 B15R0.324 COC(=O)C(C)CCOCCCCCCN 34a_100000686447_100000034942 [0,2,0,0,0,0|2,0,0]=4 11451 B15R0.324 COC(=O)C(C)CCSCCCCCCF 62a_100000034942_100015922095 [0,2,0,0,0,0|2,0,0]=4 11452 B15R0.324 COC(=O)C(C)CCSCCCCCCF 62a_100015922095_100000034942 [0,2,0,0,0,0|2,0,0]=4 11453 B15R0.324 COC(=O)C(C)CCSCCCCCCO 62a_100000034942_100000766143 [0,2,0,0,0,0|2,0,0]=4 11454 B15R0.324 COC(=O)C(C)CCSCCCCCCO 62a_100000766143_100000034942 [0,2,0,0,0,0|2,0,0]=4 11455 B15R0.324 COC(=O)C(C)CNCCCCCCCO 34a_100011996573_100000698445 [0,2,0,0,0,0|2,0,0]=4 11456 B15R0.324 COC(=O)C(C)COCCCCCCCBr 34a_100000760002_100000698445 [0,2,0,0,0,0|2,0,0]=4 11457 B15R0.324 COC(=O)C(C)COCCCCCCCN 34a_100011996573_100000698445 [0,2,0,0,0,0|2,0,0]=4 11458 B15R0.324 COC(=O)C(C)COCCCCCCCO 34a_100000749362_100000760002 [0,2,0,0,0,0|2,0,0]=4 11459 B15R0.324 COC(=O)C(C)COCCCCCCCO 7a_100000749362_100000760002 [0,2,0,0,0,0|2,0,0]=4 11460 B15R0.324 COC(=O)C(C)CSCCCCCCCO 62a_100000698445_100000760002 [0,2,0,0,0,0|2,0,0]=4 11461 B15R0.324 COC(=O)C(C)CSCCCCCCCO 62a_100000760002_100000698445 [0,2,0,0,0,0|2,0,0]=4 11462 B15R0.324 COC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000211248 [0,2,0,0,0,0|2,0,0]=4 11463 B15R0.324 COC(=O)C(C)NCCCCCCCCO 34a_102515433106_100000211248 [0,2,0,0,0,0|2,0,0]=4 11464 B15R0.324 COC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100000211248 [0,2,0,0,0,0|2,0,0]=4 11465 B15R0.324 COC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000211248 [0,2,0,0,0,0|2,0,0]=4 11466 B15R0.324 COC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100000211248 [0,2,0,0,0,0|2,0,0]=4 11467 B15R0.324 COC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000211248 [0,2,0,0,0,0|2,0,0]=4 11468 B15R0.324 COC(=O)C(C)OCCCCCCCCN 34a_102515433106_100000211248 [0,2,0,0,0,0|2,0,0]=4 11469 B15R0.324 COC(=O)C(C)OCCCCCCCCO 34a_100011215400_100000033203 [0,2,0,0,0,0|2,0,0]=4 11470 B15R0.324 COC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000211248 [0,2,0,0,0,0|2,0,0]=4 11471 B15R0.324 COC(=O)C(C)SCCCCCCCCO 62a_100000211248_100000033203 [0,2,0,0,0,0|2,0,0]=4 11472 B15R0.324 COC(=O)C(F)COCCCCCCCO 34a_200009849844_100000760002 [0,2,0,0,0,0|2,0,0]=4 11473 B15R0.324 COC(=O)[C@H](N)COCCCCCCCO 34a_100000003586_100000760002 [0,2,0,0,0,0|2,0,0]=4 11474 B15R0.324 COCCCCCCOCC(C)C(=O)OC 34a_100000749362_100011998445 [0,2,0,0,0,0|2,0,0]=4 11475 B15R0.324 COCCCCCCOCC(C)C(=O)OC 34a_200012092642_100000698445 [0,2,0,0,0,0|2,0,0]=4 11476 B15R0.324 COCCCCCCOCC(C)C(=O)OC 7a_100000749362_100011998445 [0,2,0,0,0,0|2,0,0]=4 11477 B15R0.324 COCCCCCCOCC(F)C(=O)OC 34a_200009849844_100011998445 [0,2,0,0,0,0|2,0,0]=4 11478 B15R0.324 COCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011998445 [0,2,0,0,0,0|2,0,0]=4 11479 B15R0.324 COCCCCCCSCC(C)C(=O)OC 62a_100000698445_100011998445 [0,2,0,0,0,0|2,0,0]=4 11480 B15R0.324 COCCCCCCSCC(C)C(=O)OC 62a_100011998445_100000698445 [0,2,0,0,0,0|2,0,0]=4 11481 B15R0.324 COCCCCCNCCC(C)C(=O)OC 2230a_100000747528_100000034942 [0,2,0,0,0,0|2,0,0]=4 11482 B15R0.324 COCCCCCNCCC(C)C(=O)OC 34a_100000747528_100000034942 [0,2,0,0,0,0|2,0,0]=4 11483 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000184674 [0,2,0,0,0,0|1,0,0]=3 11484 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100011220946_100011215454 [0,2,0,0,0,0|1,0,0]=3 11485 B15R0.366 C#CCC(=O)CCCCCCCCCCO 1458a_100011220946_100009813290 [0,2,0,0,0,0|2,0,0]=4 11486 B15R0.366 C#CCC(=O)NCCCCCCCCCC 1626a_100000684558_100011220946 [0,2,0,0,0,0|2,0,0]=4 11487 B15R0.366 C#CCC(=O)NCCCCCCCCCC 527a_100000684558_100011220946 [0,2,0,0,0,0|2,0,0]=4 11488 B15R0.366 C=CCC(=O)CCCCCCCCCCO 1458a_100000210193_100009813290 [0,2,0,0,0,0|2,0,0]=4 11489 B15R0.366 C=CCC(=O)NCCCCCCCCCC 11a_100000684558_100000210193 [0,2,0,0,0,0|2,0,0]=4 11490 B15R0.366 C=CCC(=O)NCCCCCCCCCC 1626a_100000684558_100000210193 [0,2,0,0,0,0|2,0,0]=4 11491 B15R0.366 C=CCC(=O)NCCCCCCCCCC 240690a_100000684558_100000210193 [0,2,0,0,0,0|2,0,0]=4 11492 B15R0.366 C=CCC(=O)NCCCCCCCCCC 527a_100000684558_100000210193 [0,2,0,0,0,0|2,0,0]=4 11493 B15R0.366 C=CCCCCCCCCCC(=O)CCO 1458a_100011216618_100009814027 [0,2,0,0,0,0|0,0,2]=4 11494 B15R0.366 C=CCCCCCCCCCC(=O)COC 1458a_100000210968_100009814027 [0,2,0,0,0,0|0,0,2]=4 11495 B15R0.366 C=COC(=O)CNCCCCCCCCC 2230a_100000212291_100000036128 [0,2,0,0,0,0|1,0,0]=3 11496 B15R0.366 C=COC(=O)CNCCCCCCCCC 34a_100000212291_100000036128 [0,2,0,0,0,0|1,0,0]=3 11497 B15R0.366 C=COC(=O)CNCCCCCCCCO 2230a_102515433106_100000036128 [0,2,0,0,0,0|2,0,0]=4 11498 B15R0.366 C=COC(=O)CNCCCCCCCCO 34a_102515433106_100000036128 [0,2,0,0,0,0|2,0,0]=4 11499 B15R0.366 C=COC(=O)COCCCCCCCCBr 34a_100009813846_100000036128 [0,2,0,0,0,0|2,0,0]=4 11500 B15R0.366 C=COC(=O)COCCCCCCCCC 34a_100000210712_100000036128 [0,2,0,0,0,0|1,0,0]=3 11501 B15R0.366 C=COC(=O)COCCCCCCCCCl 34a_100000033203_100000036128 [0,2,0,0,0,0|2,0,0]=4 11502 B15R0.366 C=COC(=O)COCCCCCCCCN 34a_102515433106_100000036128 [0,2,0,0,0,0|2,0,0]=4 11503 B15R0.366 C=COC(=O)COCCCCNCCCC 34a_200011216965_100000036128 [0,2,0,0,0,0|2,0,0]=4 11504 B15R0.366 C=COC(=O)COCCCCOCCCC 34a_200000760531_100000036128 [0,2,0,0,0,0|2,0,0]=4 11505 B15R0.366 C=COC(=O)COCCOCCCCCC 34a_100000691444_100000036128 [0,2,0,0,0,0|2,0,0]=4 11506 B15R0.366 C=COC(=O)CSCCCCCCCCC 62a_100000036128_100000210670 [0,2,0,0,0,0|1,0,0]=3 11507 B15R0.366 C=COC(=O)CSCCCCCCCCO 62a_100000033203_100000036128 [0,2,0,0,0,0|2,0,0]=4 11508 B15R0.366 C=COC(=O)CSCCCCCCCCO 62a_100000036128_100000033203 [0,2,0,0,0,0|2,0,0]=4 11509 B15R0.366 CC#CC(=O)CCCCCCCCCCC 1458a_100000763181_100011215454 [0,2,0,0,0,0|1,0,0]=3 11510 B15R0.366 CC#CC(=O)CCCCCCCCCCO 1458a_100000763181_100009813290 [0,2,0,0,0,0|2,0,0]=4 11511 B15R0.366 CC=CC(=O)CCCCCCCCCCO 1458a_100000210699_100009813290 [0,2,0,0,0,0|2,0,0]=4 11512 B15R0.366 CC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000210699 [0,2,0,0,0,0|2,0,0]=4 11513 B15R0.366 CC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000210699 [0,2,0,0,0,0|2,0,0]=4 11514 B15R0.366 CC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000210699 [0,2,0,0,0,0|2,0,0]=4 11515 B15R0.366 CCCC(=O)CCCCCCCCCCO 1458a_100000211992_100009813290 [0,2,0,0,0,0|2,0,0]=4 11516 B15R0.366 CCCCCCCCCC=CC(=O)CCO 1458a_200015352897_100000211926 [0,2,0,0,0,0|0,0,2]=4 11517 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100000210736_100011214920 [0,2,0,0,0,0|1,0,0]=3 11518 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100011215454 [0,2,0,0,0,0|1,0,0]=3 11519 B15R0.366 CCCCCCCCCCCC(=O)CCF 1458a_100000210736_100011217306 [0,2,0,0,0,0|1,0,0]=3 11520 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100000210736_100000211926 [0,2,0,0,0,0|0,0,0]=2 11521 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011215454 [0,2,0,0,0,0|0,0,0]=2 11522 B15R0.366 CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011215454 [0,2,0,0,0,0|0,0,0]=2 11523 B15R0.366 CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011215454 [0,2,0,0,0,0|0,1,0]=3 11524 B15R0.366 CCCCCCCCCCCC(=O)NCC 11a_100015525214_100000210736 [0,2,0,0,0,0|1,0,0]=3 11525 B15R0.366 CCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210736 [0,2,0,0,0,0|1,0,0]=3 11526 B15R0.366 CCCCCCCCCCCC(=O)NNC 22a_100016993582_100000210736 [0,2,0,0,0,0|1,0,0]=3 11527 B15R0.366 CCCCCCCCCCCN(C)CCO 2230a_100000210263_100011215454 [0,2,0,0,0,0|2,0,0]=4 11528 B15R0.366 CCCCCCCCCCCN(C)CCO 269982a_100000210263_100011215454 [0,2,0,0,0,0|2,0,0]=4 11529 B15R0.366 CCCCCCCCCCNC(=O)C=CBr 1626a_100000684558_100016273825 [0,2,0,0,0,0|2,0,0]=4 11530 B15R0.366 CCCCCCCCCCNC(=O)C=CBr 240690a_100000684558_100016273825 [0,2,0,0,0,0|2,0,0]=4 11531 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 11a_100000684558_200016279998 [0,2,0,0,0,0|2,0,0]=4 11532 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 1626a_100000684558_200016279998 [0,2,0,0,0,0|2,0,0]=4 11533 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 240690a_100000684558_200016279998 [0,2,0,0,0,0|2,0,0]=4 11534 B15R0.366 CCCCCCCCCCNC(=O)C=CI 1626a_100000684558_100016256311 [0,2,0,0,0,0|2,0,0]=4 11535 B15R0.366 CCCCCCCCCCNC(=O)CC#N 1626a_100000684558_100051588842 [0,2,0,0,0,0|2,0,0]=4 11536 B15R0.366 CCCCCCCCCCNC(=O)CC#N 240690a_100000684558_100051588842 [0,2,0,0,0,0|2,0,0]=4 11537 B15R0.366 CCCCCCCCCCNC(=O)CCC 11a_100000684558_100000211992 [0,2,0,0,0,0|2,0,0]=4 11538 B15R0.366 CCCCCCCCCCNC(=O)CCC 1626a_100000684558_100000211992 [0,2,0,0,0,0|2,0,0]=4 11539 B15R0.366 CCCCCCCCCCNC(=O)CCC 240690a_100000684558_100000211992 [0,2,0,0,0,0|2,0,0]=4 11540 B15R0.366 CCCCCCCCCCNC(=O)CCC 527a_100000684558_100000211992 [0,2,0,0,0,0|2,0,0]=4 11541 B15R0.366 CCCCCCCCCCNC(=O)CCO 240690a_100000684558_100011216618 [0,2,0,0,0,0|1,0,0]=3 11542 B15R0.366 CCCCCCCCCCNC(=O)COC 11a_100000684558_100000210968 [0,2,0,0,0,0|1,0,0]=3 11543 B15R0.366 CCCCCCCCCCNC(=O)COC 1626a_100000684558_100000210968 [0,2,0,0,0,0|1,0,0]=3 11544 B15R0.366 CCCCCCCCCCNC(=O)COC 240690a_100000684558_100000210968 [0,2,0,0,0,0|1,0,0]=3 11545 B15R0.366 CCCCCCCCCCNC(=O)COC 527a_100000684558_100000210968 [0,2,0,0,0,0|1,0,0]=3 11546 B15R0.366 CCCCCCCCCCNC(=O)CSC 11a_100000684558_100000184570 [0,2,0,0,0,0|1,1,0]=4 11547 B15R0.366 CCCCCCCCCCNC(=O)CSC 1626a_100000684558_100000184570 [0,2,0,0,0,0|1,1,0]=4 11548 B15R0.366 CCCCCCCCCCNC(=O)CSC 240690a_100000684558_100000184570 [0,2,0,0,0,0|1,1,0]=4 11549 B15R0.366 CCCCCCCCCCNC(=O)CSC 527a_100000684558_100000184570 [0,2,0,0,0,0|1,1,0]=4 11550 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100000684558_100015525214 [0,2,0,0,0,0|2,0,0]=4 11551 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000684558 [0,2,0,0,0,0|2,0,0]=4 11552 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100000684558_100015525214 [0,2,0,0,0,0|2,0,0]=4 11553 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000684558 [0,2,0,0,0,0|2,0,0]=4 11554 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100000684558_100015525214 [0,2,0,0,0,0|2,0,0]=4 11555 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100015525214_100000684558 [0,2,0,0,0,0|2,0,0]=4 11556 B15R0.366 CCCCCCCCCCNC(=O)NNC 273464a_100000684558_100016993582 [0,2,0,0,0,0|2,0,0]=4 11557 B15R0.366 CCCCCCCCCCNC(=O)NNC 512a_100000684558_100016993582 [0,2,0,0,0,0|2,0,0]=4 11558 B15R0.366 CCCCCCCCCCNC(=O)NNC 512a_100016993582_100000684558 [0,2,0,0,0,0|2,0,0]=4 11559 B15R0.366 CCCCCCCCCCOC(=O)CNC 2230a_106832991635_100000210668 [0,2,0,0,0,0|2,0,0]=4 11560 B15R0.366 CCCCCCCCCCOC(=O)CNC 34a_100102657272_100000210668 [0,2,0,0,0,0|2,0,0]=4 11561 B15R0.366 CCCCCCCCCCOC(=O)CNC 7a_106832991635_100000210668 [0,2,0,0,0,0|2,0,0]=4 11562 B15R0.366 CCCCCCCCCCOC(=O)COC 34a_100138415774_100000210668 [0,2,0,0,0,0|1,0,0]=3 11563 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_100000680656_200000210301 [0,2,0,0,0,0|1,1,0]=4 11564 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_200000210301_100000680656 [0,2,0,0,0,0|1,1,0]=4 11565 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_100000680656_200025704644 [0,2,0,0,0,0|1,1,0]=4 11566 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_200025704644_100000680656 [0,2,0,0,0,0|1,1,0]=4 11567 B15R0.366 CCCCCCCCCNCC(=O)CCC 2230a_100000212291_100000747444 [0,2,0,0,0,0|2,0,0]=4 11568 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100000212291_100000183381 [0,2,0,0,0,0|2,0,0]=4 11569 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011214924 [0,2,0,0,0,0|2,0,0]=4 11570 B15R0.366 CCCCCCCCCNCC(=O)NCC 34a_100000212291_100000183381 [0,2,0,0,0,0|2,0,0]=4 11571 B15R0.366 CCCCCCCCCNCC(=O)NCO 2230a_100000212291_100000185155 [0,2,0,0,0,0|1,0,0]=3 11572 B15R0.366 CCCCCCCCCNCC(=O)NCO 34a_100000212291_100000185155 [0,2,0,0,0,0|1,0,0]=3 11573 B15R0.366 CCCCCCCCCNCC(=O)OCC 2230a_100000212291_100000188475 [0,2,0,0,0,0|1,0,0]=3 11574 B15R0.366 CCCCCCCCCNCC(=O)OCC 34a_100000212291_100000188475 [0,2,0,0,0,0|1,0,0]=3 11575 B15R0.366 CCCCCCCCCOCC(=O)CCC 7a_100000210712_100000747444 [0,2,0,0,0,0|2,0,0]=4 11576 B15R0.366 CCCCCCCCCOCC(=O)NCC 34a_100000210712_100000183381 [0,2,0,0,0,0|2,0,0]=4 11577 B15R0.366 CCCCCCCCCOCC(=O)NCC 7a_100000210712_100000183381 [0,2,0,0,0,0|2,0,0]=4 11578 B15R0.366 CCCCCCCCCOCC(=O)NCO 34a_100000210712_100000185155 [0,2,0,0,0,0|1,0,0]=3 11579 B15R0.366 CCCCCCCCCOCC(=O)NCO 7a_100000210712_100000185155 [0,2,0,0,0,0|1,0,0]=3 11580 B15R0.366 CCCCCCCCCOCC(=O)OCC 34a_100000210712_100000188475 [0,2,0,0,0,0|1,0,0]=3 11581 B15R0.366 CCCCCCCCCOCC(=O)OCC 7a_100000210712_100000188475 [0,2,0,0,0,0|1,0,0]=3 11582 B15R0.366 CCCCCCCCCSCC(=O)CCC 62a_100000747444_100000210670 [0,2,0,0,0,0|2,0,0]=4 11583 B15R0.366 CCCCCCCCCSCC(=O)NCC 62a_100000183381_100000210670 [0,2,0,0,0,0|2,0,0]=4 11584 B15R0.366 CCCCCCCCCSCC(=O)NCO 62a_100000185155_100000210670 [0,2,0,0,0,0|1,0,0]=3 11585 B15R0.366 CCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210670 [0,2,0,0,0,0|1,0,0]=3 11586 B15R0.366 CCCCCCCCNCCC(=O)NCC 2230a_100000229939_100000737597 [0,2,0,0,0,0|2,0,0]=4 11587 B15R0.366 CCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210759 [0,2,0,0,0,0|2,0,0]=4 11588 B15R0.366 CCCCCCCCNCCC(=O)OCC 2230a_100000229939_100011206558 [0,2,0,0,0,0|1,0,0]=3 11589 B15R0.366 CCCCCCCCNCCC(=O)OCC 34a_100000229939_100000765890 [0,2,0,0,0,0|1,0,0]=3 11590 B15R0.366 CCCCCCCCOCCC(=O)NCC 7a_100000210232_100000737597 [0,2,0,0,0,0|2,0,0]=4 11591 B15R0.366 CCCCCCCCOCCC(=O)OCC 34a_100000210232_100000765890 [0,2,0,0,0,0|1,0,0]=3 11592 B15R0.366 CCCCCCCCOCCC(=O)OCC 7a_100000210232_100011206558 [0,2,0,0,0,0|1,0,0]=3 11593 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000210759_100000737597 [0,2,0,0,0,0|2,0,0]=4 11594 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210317 [0,2,0,0,0,0|2,0,0]=4 11595 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000210759_100000765890 [0,2,0,0,0,0|1,0,0]=3 11596 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210317 [0,2,0,0,0,0|1,0,0]=3 11597 B15R0.366 CCCCCCCCSCOC(=O)OCC 62a_100000210759_100000075025 [0,2,0,0,0,0|2,0,0]=4 11598 B15R0.366 CCCCCCCNCCCC(=O)OCC 2230a_100000229938_100009991533 [0,2,0,0,0,0|1,0,0]=3 11599 B15R0.366 CCCCCCCOCCCC(=O)OCC 34a_100000210272_100009991533 [0,2,0,0,0,0|1,0,0]=3 11600 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100000210272_100011215271 [0,2,0,0,0,0|1,0,0]=3 11601 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210614 [0,2,0,0,0,0|1,0,0]=3 11602 B15R0.366 CCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210614 [0,2,0,0,0,0|2,0,0]=4 11603 B15R0.366 CCCCCCCOCCNC(=O)OCC 7a_100000210272_200011445536 [0,2,0,0,0,0|2,0,0]=4 11604 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100000210614_100009991533 [0,2,0,0,0,0|1,0,0]=3 11605 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210316 [0,2,0,0,0,0|1,0,0]=3 11606 B15R0.366 CCCCCCCSCCNC(=O)OCC 62a_100000210614_200011445536 [0,2,0,0,0,0|2,0,0]=4 11607 B15R0.366 CCCCCCNCCCCC(=O)OCC 2230a_100000210581_100000750268 [0,2,0,0,0,0|1,0,0]=3 11608 B15R0.366 CCCCCCNCCOCC(=O)OCC 2230a_100000210581_100000088970 [0,2,0,0,0,0|2,0,0]=4 11609 B15R0.366 CCCCCCOCCCCC(=O)OCC 34a_100000210259_100000750268 [0,2,0,0,0,0|1,0,0]=3 11610 B15R0.366 CCCCCCOCCCCC(=O)OCC 7a_100000210259_100000750268 [0,2,0,0,0,0|1,0,0]=3 11611 B15R0.366 CCCCCCOCCOCC(=O)NCO 34a_100000691444_100000185155 [0,2,0,0,0,0|2,0,0]=4 11612 B15R0.366 CCCCCCOCCOCC(=O)NCO 7a_100000691444_100000185155 [0,2,0,0,0,0|2,0,0]=4 11613 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000210259_100000088970 [0,2,0,0,0,0|2,0,0]=4 11614 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000691444_100000188475 [0,2,0,0,0,0|2,0,0]=4 11615 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000210259_100000088970 [0,2,0,0,0,0|2,0,0]=4 11616 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000691444_100000188475 [0,2,0,0,0,0|2,0,0]=4 11617 B15R0.366 CCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210314 [0,2,0,0,0,0|2,0,0]=4 11618 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000210314_100000750268 [0,2,0,0,0,0|1,0,0]=3 11619 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210757 [0,2,0,0,0,0|1,0,0]=3 11620 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210757 [0,2,0,0,0,0|2,0,0]=4 11621 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000210314_100000088970 [0,2,0,0,0,0|2,0,0]=4 11622 B15R0.366 CCCCCNCCCCCC(=O)OCC 2230a_100000209983_100000755133 [0,2,0,0,0,0|1,0,0]=3 11623 B15R0.366 CCCCCNCCCOCC(=O)OCC 2230a_100000209983_100009893628 [0,2,0,0,0,0|2,0,0]=4 11624 B15R0.366 CCCCCNCCOCCC(=O)OCC 34a_100000224656_100000765890 [0,2,0,0,0,0|2,0,0]=4 11625 B15R0.366 CCCCCOCCCCCC(=O)OCC 34a_100000210253_100000755133 [0,2,0,0,0,0|1,0,0]=3 11626 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100000210253_100000755133 [0,2,0,0,0,0|1,0,0]=3 11627 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210326 [0,2,0,0,0,0|1,0,0]=3 11628 B15R0.366 CCCCCOCCCOCC(=O)OCC 34a_100000210253_100009893628 [0,2,0,0,0,0|2,0,0]=4 11629 B15R0.366 CCCCCOCCCOCC(=O)OCC 7a_100000210253_100009893628 [0,2,0,0,0,0|2,0,0]=4 11630 B15R0.366 CCCCCOCCOCCC(=O)OCC 34a_100011215259_100000765890 [0,2,0,0,0,0|2,0,0]=4 11631 B15R0.366 CCCCCOCCOCCC(=O)OCC 7a_100011215259_100011206558 [0,2,0,0,0,0|2,0,0]=4 11632 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000210326_100000755133 [0,2,0,0,0,0|1,0,0]=3 11633 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210326 [0,2,0,0,0,0|1,0,0]=3 11634 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100000210326_100009893628 [0,2,0,0,0,0|2,0,0]=4 11635 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210326 [0,2,0,0,0,0|2,0,0]=4 11636 B15R0.366 CCCCNCCCCCCC(=O)OCC 2230a_100000102301_100009814379 [0,2,0,0,0,0|1,0,0]=3 11637 B15R0.366 CCCCNCCCCCCC(=O)OCC 7a_106832991798_100009814379 [0,2,0,0,0,0|1,0,0]=3 11638 B15R0.366 CCCCNCCCCOCC(=O)NCO 34a_200011216965_100000185155 [0,2,0,0,0,0|2,0,0]=4 11639 B15R0.366 CCCCNCCCCOCC(=O)OCC 34a_200011216965_100000188475 [0,2,0,0,0,0|2,0,0]=4 11640 B15R0.366 CCCCOCCCCCCC(=O)OCC 34a_100000210227_100009814379 [0,2,0,0,0,0|1,0,0]=3 11641 B15R0.366 CCCCOCCCCCCC(=O)OCC 7a_100000210227_100009814379 [0,2,0,0,0,0|1,0,0]=3 11642 B15R0.366 CCCCOCCCCOCC(=O)NCO 34a_200000760531_100000185155 [0,2,0,0,0,0|2,0,0]=4 11643 B15R0.366 CCCCOCCCCOCC(=O)NCO 7a_200000760531_100000185155 [0,2,0,0,0,0|2,0,0]=4 11644 B15R0.366 CCCCOCCCCOCC(=O)OCC 34a_200000760531_100000188475 [0,2,0,0,0,0|2,0,0]=4 11645 B15R0.366 CCCCOCCCCOCC(=O)OCC 7a_200000760531_100000188475 [0,2,0,0,0,0|2,0,0]=4 11646 B15R0.366 CCCCOCCCNCCC(=O)OCC 2230a_200000211371_100011206558 [0,2,0,0,0,0|2,0,0]=4 11647 B15R0.366 CCCCOCCCNCCC(=O)OCC 34a_200000211371_100000765890 [0,2,0,0,0,0|2,0,0]=4 11648 B15R0.366 CCCCOCCCOCCC(=O)OCC 34a_200011215613_100000765890 [0,2,0,0,0,0|2,0,0]=4 11649 B15R0.366 CCCCOCCCOCCC(=O)OCC 7a_200011215613_100011206558 [0,2,0,0,0,0|2,0,0]=4 11650 B15R0.366 CCCCOCCOCCCC(=O)OCC 34a_100000210238_100009991533 [0,2,0,0,0,0|2,0,0]=4 11651 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100000210238_100011215271 [0,2,0,0,0,0|2,0,0]=4 11652 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100012001163_100000743108 [0,2,0,0,0,0|2,0,0]=4 11653 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100000743108_100009991533 [0,2,0,0,0,0|2,0,0]=4 11654 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100009991533_100000743108 [0,2,0,0,0,0|2,0,0]=4 11655 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100000750268_100011995733 [0,2,0,0,0,0|2,0,0]=4 11656 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100011995733_100000750268 [0,2,0,0,0,0|2,0,0]=4 11657 B15R0.366 CCCCSCCCCCCC(=O)OCC 62a_100000210211_100009814379 [0,2,0,0,0,0|1,0,0]=3 11658 B15R0.366 CCCCSCCNCCCC(=O)OCC 2230a_100025743550_100009991533 [0,2,0,0,0,0|2,0,0]=4 11659 B15R0.366 CCCCSCCOCCCC(=O)OCC 34a_200000230436_100009991533 [0,2,0,0,0,0|2,0,0]=4 11660 B15R0.366 CCCCSCCOCCCC(=O)OCC 7a_200000230436_100011215271 [0,2,0,0,0,0|2,0,0]=4 11661 B15R0.366 CCCOCCCCCCCC(=O)OCC 34a_100000210258_100009991516 [0,2,0,0,0,0|1,0,0]=3 11662 B15R0.366 CCCOCCCNCCCC(=O)OCC 2230a_100011217757_100009991533 [0,2,0,0,0,0|2,0,0]=4 11663 B15R0.366 CCCOCCCNCCCC(=O)OCC 34a_100011217757_100009991533 [0,2,0,0,0,0|2,0,0]=4 11664 B15R0.366 CCCOCCNCCCCC(=O)OCC 2230a_100161115042_100000750268 [0,2,0,0,0,0|2,0,0]=4 11665 B15R0.366 CCCOCCNCCCCC(=O)OCC 34a_100161115042_100000750268 [0,2,0,0,0,0|2,0,0]=4 11666 B15R0.366 CCCOCCOCCCCC(=O)OCC 34a_100000752267_100000750268 [0,2,0,0,0,0|2,0,0]=4 11667 B15R0.366 CCCOCCOCCCCC(=O)OCC 7a_100000752267_100000750268 [0,2,0,0,0,0|2,0,0]=4 11668 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100000750268_100011215938 [0,2,0,0,0,0|2,0,0]=4 11669 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100011215938_100000750268 [0,2,0,0,0,0|2,0,0]=4 11670 B15R0.366 CCCSCCCCCCCC(=O)OCC 62a_100000210303_100009991516 [0,2,0,0,0,0|1,0,0]=3 11671 B15R0.366 CCCSCCNCCCCC(=O)OCC 2230a_100020603323_100000750268 [0,2,0,0,0,0|2,0,0]=4 11672 B15R0.366 CCCSCCOCCCCC(=O)OCC 34a_200000230433_100000750268 [0,2,0,0,0,0|2,0,0]=4 11673 B15R0.366 CCCSCCOCCCCC(=O)OCC 7a_200000230433_100000750268 [0,2,0,0,0,0|2,0,0]=4 11674 B15R0.366 CCNC(=O)CCCCCCCCCCO 240690a_100015525214_200000016029 [0,2,0,0,0,0|2,0,0]=4 11675 B15R0.366 CCNCCCCCCCCC(=O)OCC 2230a_100015525214_100010175975 [0,2,0,0,0,0|1,0,0]=3 11676 B15R0.366 CCOC(=O)CCCCCCCCCNC 2230a_106832991635_100009828014 [0,2,0,0,0,0|1,0,0]=3 11677 B15R0.366 CCOC(=O)CCCCCCCCCNC 34a_100102657272_100009828014 [0,2,0,0,0,0|1,0,0]=3 11678 B15R0.366 CCOC(=O)CCCCCCCCCNC 7a_106832991635_100009828014 [0,2,0,0,0,0|1,0,0]=3 11679 B15R0.366 CCOC(=O)CCCCCCCCCOC 34a_100138415774_100009828014 [0,2,0,0,0,0|1,0,0]=3 11680 B15R0.366 CCOC(=O)CCCCCCCCCSC 62a_200000210301_100009828014 [0,2,0,0,0,0|1,0,0]=3 11681 B15R0.366 CCOC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009828014 [0,2,0,0,0,0|1,0,0]=3 11682 B15R0.366 CCOC(=O)CCCCCCCCSCC 62a_100000210202_100010175975 [0,2,0,0,0,0|1,0,0]=3 11683 B15R0.366 CCOC(=O)CCCCCCCCSCF 62a_100015361967_100010175975 [0,2,0,0,0,0|2,0,0]=4 11684 B15R0.366 CCOC(=O)CCCCCCCNCCF 34a_100000724931_100009991516 [0,2,0,0,0,0|2,0,0]=4 11685 B15R0.366 CCOC(=O)CCCCCCCNCCO 2230a_100016997473_100009991516 [0,2,0,0,0,0|2,0,0]=4 11686 B15R0.366 CCOC(=O)CCCCCCCNCCO 34a_100016990907_100009991516 [0,2,0,0,0,0|2,0,0]=4 11687 B15R0.366 CCOC(=O)CCCCCCCOCCBr 34a_100000211926_100009991516 [0,2,0,0,0,0|2,0,0]=4 11688 B15R0.366 CCOC(=O)CCCCCCCOCCN 34a_100000210304_100009991516 [0,2,0,0,0,0|2,0,0]=4 11689 B15R0.366 CCOC(=O)CCCCCCCSCCF 62a_100011217306_100009991516 [0,2,0,0,0,0|2,0,0]=4 11690 B15R0.366 CCOC(=O)CCCCCCCSCCO 62a_100000211926_100009991516 [0,2,0,0,0,0|2,0,0]=4 11691 B15R0.366 CCOC(=O)CCCCCCCSCOC 62a_100000766300_100009991516 [0,2,0,0,0,0|2,0,0]=4 11692 B15R0.366 CCOC(=O)CCCCCCCSCSC 62a_100011218213_100009991516 [0,2,0,0,0,0|2,0,0]=4 11693 B15R0.366 CCOC(=O)CCCCCCNCCCF 2230a_100015189416_100009814379 [0,2,0,0,0,0|2,0,0]=4 11694 B15R0.366 CCOC(=O)CCCCCCNCCCF 34a_100015189416_100009814379 [0,2,0,0,0,0|2,0,0]=4 11695 B15R0.366 CCOC(=O)CCCCCCNCCOC 2230a_100000209980_100009814379 [0,2,0,0,0,0|2,0,0]=4 11696 B15R0.366 CCOC(=O)CCCCCCNCCSC 2230a_100020590264_100009814379 [0,2,0,0,0,0|2,0,0]=4 11697 B15R0.366 CCOC(=O)CCCCCCOCCCBr 34a_100011217188_100009814379 [0,2,0,0,0,0|2,0,0]=4 11698 B15R0.366 CCOC(=O)CCCCCCOCCCCl 34a_100000230001_100009814379 [0,2,0,0,0,0|2,0,0]=4 11699 B15R0.366 CCOC(=O)CCCCCCOCCCF 34a_100000759539_100009814379 [0,2,0,0,0,0|2,0,0]=4 11700 B15R0.366 CCOC(=O)CCCCCCOCCCN 34a_100000182051_100009814379 [0,2,0,0,0,0|2,0,0]=4 11701 B15R0.366 CCOC(=O)CCCCCCOCCOC 34a_100000210237_100009814379 [0,2,0,0,0,0|2,0,0]=4 11702 B15R0.366 CCOC(=O)CCCCCCOCCSC 34a_100000230434_100009814379 [0,2,0,0,0,0|2,0,0]=4 11703 B15R0.366 CCOC(=O)CCCCCCOCCSC 7a_100000230434_100009814379 [0,2,0,0,0,0|2,0,0]=4 11704 B15R0.366 CCOC(=O)CCCCCCSCCCF 62a_100011934791_100009814379 [0,2,0,0,0,0|2,0,0]=4 11705 B15R0.366 CCOC(=O)CCCCCCSCCCO 62a_100011215043_100009814379 [0,2,0,0,0,0|2,0,0]=4 11706 B15R0.366 CCOC(=O)CCCCCCSCCOC 62a_100000233755_100009814379 [0,2,0,0,0,0|2,0,0]=4 11707 B15R0.366 CCOC(=O)CCCCCCSCCSC 62a_100000212216_100009814379 [0,2,0,0,0,0|2,0,0]=4 11708 B15R0.366 CCOC(=O)CCCCCNCCCCO 2230a_100000750430_100000755133 [0,2,0,0,0,0|2,0,0]=4 11709 B15R0.366 CCOC(=O)CCCCCNCCCCO 34a_100000750430_100000755133 [0,2,0,0,0,0|2,0,0]=4 11710 B15R0.366 CCOC(=O)CCCCCNCCCOC 34a_100150723488_100000755133 [0,2,0,0,0,0|2,0,0]=4 11711 B15R0.366 CCOC(=O)CCCCCNCCCSC 2230a_100000749238_100000755133 [0,2,0,0,0,0|2,0,0]=4 11712 B15R0.366 CCOC(=O)CCCCCNCCSCC 2230a_100000106463_100000755133 [0,2,0,0,0,0|2,0,0]=4 11713 B15R0.366 CCOC(=O)CCCCCOCCCCBr 34a_100011216708_100000755133 [0,2,0,0,0,0|2,0,0]=4 11714 B15R0.366 CCOC(=O)CCCCCOCCCCCl 34a_100000210776_100000755133 [0,2,0,0,0,0|2,0,0]=4 11715 B15R0.366 CCOC(=O)CCCCCOCCCCCl 7a_100000210776_100000755133 [0,2,0,0,0,0|2,0,0]=4 11716 B15R0.366 CCOC(=O)CCCCCOCCCCF 34a_100011995726_100000755133 [0,2,0,0,0,0|2,0,0]=4 11717 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011214988_100000729493 [0,2,0,0,0,0|2,0,0]=4 11718 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011995726_100000755133 [0,2,0,0,0,0|2,0,0]=4 11719 B15R0.366 CCOC(=O)CCCCCOCCCCI 34a_200012148704_100000755133 [0,2,0,0,0,0|2,0,0]=4 11720 B15R0.366 CCOC(=O)CCCCCOCCCCN 34a_100000750430_100000755133 [0,2,0,0,0,0|2,0,0]=4 11721 B15R0.366 CCOC(=O)CCCCCOCCCCO 7a_100011214988_100000210776 [0,2,0,0,0,0|2,0,0]=4 11722 B15R0.366 CCOC(=O)CCCCCOCCCNC 34a_100000213112_100000755133 [0,2,0,0,0,0|2,0,0]=4 11723 B15R0.366 CCOC(=O)CCCCCOCCCOC 34a_100000740835_100000755133 [0,2,0,0,0,0|2,0,0]=4 11724 B15R0.366 CCOC(=O)CCCCCOCCCOC 7a_100011214988_100000740836 [0,2,0,0,0,0|2,0,0]=4 11725 B15R0.366 CCOC(=O)CCCCCOCCCSC 34a_100000690336_100000755133 [0,2,0,0,0,0|2,0,0]=4 11726 B15R0.366 CCOC(=O)CCCCCOCCCSC 7a_100000690336_100000755133 [0,2,0,0,0,0|2,0,0]=4 11727 B15R0.366 CCOC(=O)CCCCCOCCSCC 34a_100000212035_100000755133 [0,2,0,0,0,0|2,0,0]=4 11728 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100000212035_100000755133 [0,2,0,0,0,0|2,0,0]=4 11729 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100011214988_100000757381 [0,2,0,0,0,0|2,0,0]=4 11730 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000729493_100000755133 [0,2,0,0,0,0|2,0,0]=4 11731 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000755133_100000729493 [0,2,0,0,0,0|2,0,0]=4 11732 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000210776_100000755133 [0,2,0,0,0,0|2,0,0]=4 11733 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000755133_100000210776 [0,2,0,0,0,0|2,0,0]=4 11734 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000709357_100000755133 [0,2,0,0,0,0|2,0,0]=4 11735 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000755133_100000709357 [0,2,0,0,0,0|2,0,0]=4 11736 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000755133_100000757381 [0,2,0,0,0,0|2,0,0]=4 11737 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000757381_100000755133 [0,2,0,0,0,0|2,0,0]=4 11738 B15R0.366 CCOC(=O)CCCCNCCCCCO 2230a_100000762737_100000750268 [0,2,0,0,0,0|2,0,0]=4 11739 B15R0.366 CCOC(=O)CCCCNCCCCCO 34a_100000762737_100000750268 [0,2,0,0,0,0|2,0,0]=4 11740 B15R0.366 CCOC(=O)CCCCOCCCCCBr 34a_100000746331_100000750268 [0,2,0,0,0,0|2,0,0]=4 11741 B15R0.366 CCOC(=O)CCCCOCCCCCBr 7a_100000746331_100000750268 [0,2,0,0,0,0|2,0,0]=4 11742 B15R0.366 CCOC(=O)CCCCOCCCCCCl 34a_100000746330_100000750268 [0,2,0,0,0,0|2,0,0]=4 11743 B15R0.366 CCOC(=O)CCCCOCCCCCCl 7a_100000746330_100000750268 [0,2,0,0,0,0|2,0,0]=4 11744 B15R0.366 CCOC(=O)CCCCOCCCCCI 34a_200012148887_100000750268 [0,2,0,0,0,0|2,0,0]=4 11745 B15R0.366 CCOC(=O)CCCCOCCCCCI 7a_200012148887_100000750268 [0,2,0,0,0,0|2,0,0]=4 11746 B15R0.366 CCOC(=O)CCCCOCCCCCN 34a_100000762737_100000750268 [0,2,0,0,0,0|2,0,0]=4 11747 B15R0.366 CCOC(=O)CCCCOCCCCOC 34a_100000740925_100000750268 [0,2,0,0,0,0|2,0,0]=4 11748 B15R0.366 CCOC(=O)CCCCOCCCCSC 34a_100011217163_100000750268 [0,2,0,0,0,0|2,0,0]=4 11749 B15R0.366 CCOC(=O)CCCCOCCCCSC 7a_100011217163_100000750268 [0,2,0,0,0,0|2,0,0]=4 11750 B15R0.366 CCOC(=O)CCCCOCCCSCC 34a_100011216438_100000750268 [0,2,0,0,0,0|2,0,0]=4 11751 B15R0.366 CCOC(=O)CCCCOCCCSCC 7a_100011216438_100000750268 [0,2,0,0,0,0|2,0,0]=4 11752 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000729378_100000750268 [0,2,0,0,0,0|2,0,0]=4 11753 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000750268_100000729378 [0,2,0,0,0,0|2,0,0]=4 11754 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000746330_100000750268 [0,2,0,0,0,0|2,0,0]=4 11755 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000750268_100000746330 [0,2,0,0,0,0|2,0,0]=4 11756 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000730899_100000750268 [0,2,0,0,0,0|2,0,0]=4 11757 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000750268_100000730899 [0,2,0,0,0,0|2,0,0]=4 11758 B15R0.366 CCOC(=O)CCCNCCCCCCO 2230a_100000686447_100009991533 [0,2,0,0,0,0|2,0,0]=4 11759 B15R0.366 CCOC(=O)CCCNCCCCCCO 34a_100000686447_100009991533 [0,2,0,0,0,0|2,0,0]=4 11760 B15R0.366 CCOC(=O)CCCNCCCCCOC 2230a_100000747528_100009991533 [0,2,0,0,0,0|2,0,0]=4 11761 B15R0.366 CCOC(=O)CCCNCCCCCOC 34a_100000747528_100009991533 [0,2,0,0,0,0|2,0,0]=4 11762 B15R0.366 CCOC(=O)CCCOCCCCCCBr 34a_100011215345_100009991533 [0,2,0,0,0,0|2,0,0]=4 11763 B15R0.366 CCOC(=O)CCCOCCCCCCBr 7a_100011215345_100011215271 [0,2,0,0,0,0|2,0,0]=4 11764 B15R0.366 CCOC(=O)CCCOCCCCCCCl 34a_100000766143_100009991533 [0,2,0,0,0,0|2,0,0]=4 11765 B15R0.366 CCOC(=O)CCCOCCCCCCCl 7a_100000766143_100011215271 [0,2,0,0,0,0|2,0,0]=4 11766 B15R0.366 CCOC(=O)CCCOCCCCCCF 34a_100000732779_100009991533 [0,2,0,0,0,0|2,0,0]=4 11767 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100000732779_100011215271 [0,2,0,0,0,0|2,0,0]=4 11768 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100012001163_100015922095 [0,2,0,0,0,0|2,0,0]=4 11769 B15R0.366 CCOC(=O)CCCOCCCCCCN 34a_100000686447_100009991533 [0,2,0,0,0,0|2,0,0]=4 11770 B15R0.366 CCOC(=O)CCCOCCCCCCO 7a_100012001163_100000766143 [0,2,0,0,0,0|2,0,0]=4 11771 B15R0.366 CCOC(=O)CCCOCCCCCNC 34a_100000722520_100009991533 [0,2,0,0,0,0|2,0,0]=4 11772 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100009991533_100015922095 [0,2,0,0,0,0|2,0,0]=4 11773 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100015922095_100009991533 [0,2,0,0,0,0|2,0,0]=4 11774 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100000766143_100009991533 [0,2,0,0,0,0|2,0,0]=4 11775 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100009991533_100000766143 [0,2,0,0,0,0|2,0,0]=4 11776 B15R0.366 CCOC(=O)CCNCCCCCCCO 2230a_100011996573_100011206558 [0,2,0,0,0,0|2,0,0]=4 11777 B15R0.366 CCOC(=O)CCNCCCCCCCO 34a_100011996573_100000765890 [0,2,0,0,0,0|2,0,0]=4 11778 B15R0.366 CCOC(=O)CCOCCCCCCCBr 34a_100000760002_100000765890 [0,2,0,0,0,0|2,0,0]=4 11779 B15R0.366 CCOC(=O)CCOCCCCCCCBr 7a_100000760002_100011206558 [0,2,0,0,0,0|2,0,0]=4 11780 B15R0.366 CCOC(=O)CCOCCCCCCCN 34a_100011996573_100000765890 [0,2,0,0,0,0|2,0,0]=4 11781 B15R0.366 CCOC(=O)CCOCCCCCCOC 34a_200012092642_100000765890 [0,2,0,0,0,0|2,0,0]=4 11782 B15R0.366 CCOC(=O)CCOCCCCCCOC 7a_200012092642_100011206558 [0,2,0,0,0,0|2,0,0]=4 11783 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000760002_100000765890 [0,2,0,0,0,0|2,0,0]=4 11784 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000765890_100000760002 [0,2,0,0,0,0|2,0,0]=4 11785 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100000765890_100011998445 [0,2,0,0,0,0|2,0,0]=4 11786 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100011998445_100000765890 [0,2,0,0,0,0|2,0,0]=4 11787 B15R0.366 CCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000188475 [0,2,0,0,0,0|2,0,0]=4 11788 B15R0.366 CCOC(=O)CNCCCCCCCCO 34a_102515433106_100000188475 [0,2,0,0,0,0|2,0,0]=4 11789 B15R0.366 CCOC(=O)COCCCCCCCCBr 34a_100009813846_100000188475 [0,2,0,0,0,0|2,0,0]=4 11790 B15R0.366 CCOC(=O)COCCCCCCCCBr 7a_100009813846_100000188475 [0,2,0,0,0,0|2,0,0]=4 11791 B15R0.366 CCOC(=O)COCCCCCCCCCl 34a_100000033203_100000188475 [0,2,0,0,0,0|2,0,0]=4 11792 B15R0.366 CCOC(=O)COCCCCCCCCCl 7a_100000033203_100000188475 [0,2,0,0,0,0|2,0,0]=4 11793 B15R0.366 CCOC(=O)COCCCCCCCCN 34a_102515433106_100000188475 [0,2,0,0,0,0|2,0,0]=4 11794 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000033203_100000188475 [0,2,0,0,0,0|2,0,0]=4 11795 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000188475_100000033203 [0,2,0,0,0,0|2,0,0]=4 11796 B15R0.366 CCOCCCCCCCCC(=O)OCC 34a_100121572206_100010175975 [0,2,0,0,0,0|1,0,0]=3 11797 B15R0.366 CCOCCCNCCCCC(=O)OCC 2230a_100000210961_100000750268 [0,2,0,0,0,0|2,0,0]=4 11798 B15R0.366 CCOCCCNCCCCC(=O)OCC 34a_100000210961_100000750268 [0,2,0,0,0,0|2,0,0]=4 11799 B15R0.366 CCOCCCOCCCCC(=O)OCC 34a_100000757476_100000750268 [0,2,0,0,0,0|2,0,0]=4 11800 B15R0.366 CCOCCCOCCCCC(=O)OCC 7a_100000757476_100000750268 [0,2,0,0,0,0|2,0,0]=4 11801 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100000750268_100012232248 [0,2,0,0,0,0|2,0,0]=4 11802 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100012232248_100000750268 [0,2,0,0,0,0|2,0,0]=4 11803 B15R0.366 CCOCCNCCCCCC(=O)OCC 2230a_102516460346_100000755133 [0,2,0,0,0,0|2,0,0]=4 11804 B15R0.366 CCOCCNCCCCCC(=O)OCC 34a_102516460346_100000755133 [0,2,0,0,0,0|2,0,0]=4 11805 B15R0.366 CCOCCOCCCCCC(=O)OCC 34a_100000210136_100000755133 [0,2,0,0,0,0|2,0,0]=4 11806 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100000210136_100000755133 [0,2,0,0,0,0|2,0,0]=4 11807 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100011214988_100011215890 [0,2,0,0,0,0|2,0,0]=4 11808 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000210147_100000755133 [0,2,0,0,0,0|2,0,0]=4 11809 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000755133_100011215890 [0,2,0,0,0,0|2,0,0]=4 11810 B15R0.366 CCOCSCCCCCCC(=O)OCC 62a_100000739092_100009814379 [0,2,0,0,0,0|2,0,0]=4 11811 B15R0.366 CNNC(=O)CCCCCCCCCCO 22a_100016993582_200000016029 [0,2,0,0,0,0|2,0,0]=4 11812 B15R0.366 COCC(=O)CCCCCCCCCCO 1458a_100000210968_100009813290 [0,2,0,0,0,0|1,0,0]=3 11813 B15R0.366 COCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210968 [0,2,0,0,0,0|2,0,0]=4 11814 B15R0.366 CSCC(=O)CCCCCCCCCCO 1458a_100000184570_100009813290 [0,2,0,0,0,0|1,1,0]=4 11815 B15R0.366 N#CCC(=O)CCCCCCCCCCO 1458a_100051588842_100009813290 [0,2,0,0,0,0|2,0,0]=4 11816 B15R0.366 NCCCCCCCCOCC(=O)NCO 34a_102515433106_100000185155 [0,2,0,0,0,0|2,0,0]=4 11817 B15R0.366 O=C(C=CBr)CCCCCCCCCCO 1458a_100016273825_100009813290 [0,2,0,0,0,0|2,0,0]=4 11818 B15R0.366 O=C(C=CCl)CCCCCCCCCCO 1458a_200016279998_100009813290 [0,2,0,0,0,0|2,0,0]=4 11819 B15R0.366 O=C(C=CI)CCCCCCCCCCO 1458a_100016256311_100009813290 [0,2,0,0,0,0|2,0,0]=4 11820 B15R0.366 O=C(CCO)CCCCCCCCCCO 1458a_100011216618_100009813290 [0,2,0,0,0,0|1,0,0]=3 11821 B15R0.366 O=C(CCO)NCCCCCCCCCO 240690a_100000078944_100011216618 [0,2,0,0,0,0|2,0,0]=4 11822 B15R0.366 O=C(CNCCCCCCCCO)NCO 2230a_102515433106_100000185155 [0,2,0,0,0,0|2,0,0]=4 11823 B15R0.366 O=C(CNCCCCCCCCO)NCO 34a_102515433106_100000185155 [0,2,0,0,0,0|2,0,0]=4 11824 B15R0.366 O=C(COCCCCCCCCBr)NCO 34a_100009813846_100000185155 [0,2,0,0,0,0|2,0,0]=4 11825 B15R0.366 O=C(COCCCCCCCCBr)NCO 7a_100009813846_100000185155 [0,2,0,0,0,0|2,0,0]=4 11826 B15R0.366 O=C(COCCCCCCCCCl)NCO 34a_100000033203_100000185155 [0,2,0,0,0,0|2,0,0]=4 11827 B15R0.366 O=C(COCCCCCCCCCl)NCO 7a_100000033203_100000185155 [0,2,0,0,0,0|2,0,0]=4 11828 B15R0.366 O=C(CSCCCCCCCCO)NCO 62a_100000033203_100000185155 [0,2,0,0,0,0|2,0,0]=4 11829 B15R0.366 O=C(CSCCCCCCCCO)NCO 62a_100000185155_100000033203 [0,2,0,0,0,0|2,0,0]=4 11830 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210303 [0,2,0,0,0,0|0,0,1]=3 11831 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000211992_100010004213 [0,2,0,0,0,0|0,0,1]=3 11832 B15R0.384 CCCC(=O)COCCCCCC(=O)OC 7a_100000074720_100000747444 [0,2,0,0,0,0|1,0,1]=4 11833 B15R0.384 CCCC(=O)CSCCCCCC(=O)OC 62a_100000747444_100009816466 [0,2,0,0,0,0|1,0,1]=4 11834 B15R0.384 CCCC(=O)CSCCCCCC(=O)OC 62a_100009816466_100000747444 [0,2,0,0,0,0|1,0,1]=4 11835 B15R0.384 CCCC(=O)NCCCCCCC(=O)OC 188690a_100000739044_100000211992 [0,2,0,0,0,0|1,0,1]=4 11836 B15R0.384 CCCC(C)CCCOCCCC(=O)NC 34a_100011713154_100000741757 [0,2,0,0,0,0|2,0,0]=4 11837 B15R0.384 CCCC(C)CCCOCCCC(=O)NC 7a_100011713154_100000741757 [0,2,0,0,0,0|2,0,0]=4 11838 B15R0.384 CCCC(C)CCCOCCCC(=O)OC 34a_100011713154_100000742333 [0,2,0,0,0,0|1,0,0]=3 11839 B15R0.384 CCCC(C)CCCOCCCC(=O)OC 7a_100011713154_100011218270 [0,2,0,0,0,0|1,0,0]=3 11840 B15R0.384 CCCC(C)CCOCCCCC(=O)OC 34a_100011217855_100000204269 [0,2,0,0,0,0|1,0,0]=3 11841 B15R0.384 CCCC(C)CCOCCCCC(=O)OC 7a_100011217855_100000204269 [0,2,0,0,0,0|1,0,0]=3 11842 B15R0.384 CCCC(C)CCOCCOCC(=O)OC 34a_100011217855_100000090808 [0,2,0,0,0,0|2,0,0]=4 11843 B15R0.384 CCCC(C)CCOCCOCC(=O)OC 7a_100011217855_100000090808 [0,2,0,0,0,0|2,0,0]=4 11844 B15R0.384 CCCC(C)COCCCCCC(=O)OC 34a_100000074720_100011216630 [0,2,0,0,0,0|1,0,0]=3 11845 B15R0.384 CCCC(C)COCCCCCC(=O)OC 34a_100000688023_100009816466 [0,2,0,0,0,0|1,0,0]=3 11846 B15R0.384 CCCC(C)COCCCCCC(=O)OC 7a_100000074720_100011216630 [0,2,0,0,0,0|1,0,0]=3 11847 B15R0.384 CCCC(C)COCCCCCC(=O)OC 7a_100000688023_100009816466 [0,2,0,0,0,0|1,0,0]=3 11848 B15R0.384 CCCC(C)CSCCCCCC(=O)OC 62a_100009816466_100011216630 [0,2,0,0,0,0|1,0,0]=3 11849 B15R0.384 CCCC(C)CSCCCCCC(=O)OC 62a_100011216630_100009816466 [0,2,0,0,0,0|1,0,0]=3 11850 B15R0.384 CCCC(C)NCCCCCCC(=O)OC 2230a_100000741246_100009815986 [0,2,0,0,0,0|1,0,0]=3 11851 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 34a_100000764384_100009815986 [0,2,0,0,0,0|1,0,0]=3 11852 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 34a_100009863599_100000766640 [0,2,0,0,0,0|1,0,0]=3 11853 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 7a_100000764384_100009815986 [0,2,0,0,0,0|1,0,0]=3 11854 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 7a_100009863599_100000766640 [0,2,0,0,0,0|1,0,0]=3 11855 B15R0.384 CCCC(C)SCCCCCCC(=O)OC 62a_100000766640_100009815986 [0,2,0,0,0,0|1,0,0]=3 11856 B15R0.384 CCCC(C)SCCCCCCC(=O)OC 62a_100009815986_100000766640 [0,2,0,0,0,0|1,0,0]=3 11857 B15R0.384 CCCN(C)CCCCCCCC(=O)OC 2230a_100000747261_100010004213 [0,2,0,0,0,0|1,0,0]=3 11858 B15R0.384 CCCN(C)CCCCCCCC(=O)OC 269982a_100000747261_100010004213 [0,2,0,0,0,0|1,0,0]=3 11859 B15R0.384 CCC[C@H](N)CCOCCCCC(=O)OC 34a_100015193777_100000204269 [0,2,0,0,0,0|1,0,0]=3 11860 B15R0.384 CCC[C@H](N)CCOCCOCC(=O)OC 34a_100015193777_100000090808 [0,2,0,0,0,0|2,0,0]=4 11861 B15R0.384 CCC[C@H](N)COCCCCCC(=O)OC 34a_100000732646_100009816466 [0,2,0,0,0,0|1,0,0]=3 11862 B15R0.384 CCNC(=O)CCCCCCCC(=O)OC 11a_100015525214_100000033222 [0,2,0,0,0,0|1,0,1]=4 11863 B15R0.384 CCNC(=O)CCCCCCCC(=O)OC 240690a_100015525214_100000033222 [0,2,0,0,0,0|1,0,1]=4 11864 B15R0.384 CCOC(=O)CCCCCCCC(=O)CO 1458a_100000210174_100009991516 [0,2,0,0,0,0|1,0,1]=4 11865 B15R0.384 COC(=O)CCCCCCCC(=O)CCF 1458a_100000033222_100011217306 [0,2,0,0,0,0|1,0,1]=4 11866 B15R0.384 COC(=O)CCCCCCCC(=O)CCO 1458a_100000033222_100000211926 [0,2,0,0,0,0|1,0,1]=4 11867 B15R0.384 COC(=O)CCCCCCCC(=O)CCO 1458a_100011216618_100010004213 [0,2,0,0,0,0|1,0,1]=4 11868 B15R0.384 COC(=O)CCCCCCCC(=O)CSC 1458a_100000184570_100010004213 [0,2,0,0,0,0|1,0,1]=4 11869 B15R0.384 COC(=O)CCCCCCCN(C)CCO 2230a_100000210263_100010004213 [0,2,0,0,0,0|2,0,0]=4 11870 B15R0.384 COC(=O)CCCCCCCN(C)CCO 269982a_100000210263_100010004213 [0,2,0,0,0,0|2,0,0]=4 11871 B15R0.384 COC(=O)CCCCCCN[C@H](C)CCO 2230a_100000706166_100009815986 [0,2,0,0,0,0|2,0,0]=4 11872 B15R0.384 COC(=O)CCCCCCN[C@H](C)CCO 34a_100000706166_100009815986 [0,2,0,0,0,0|2,0,0]=4 11873 B15R0.384 COC(=O)CCCCCCOC(C)CCBr 34a_100012276601_100009815986 [0,2,0,0,0,0|2,0,0]=4 11874 B15R0.384 COC(=O)CCCCCCOC(C)CCO 34a_100009863599_100009893172 [0,2,0,0,0,0|2,0,0]=4 11875 B15R0.384 COC(=O)CCCCCCOC(C)CCO 7a_100009863599_100009893172 [0,2,0,0,0,0|2,0,0]=4 11876 B15R0.384 COC(=O)CCCCCCSC(C)CCO 62a_100009815986_100009893172 [0,2,0,0,0,0|2,0,0]=4 11877 B15R0.384 COC(=O)CCCCCCSC(C)CCO 62a_100009893172_100009815986 [0,2,0,0,0,0|2,0,0]=4 11878 B15R0.384 COC(=O)CCCCCOCC(C)CCN 34a_106354213184_100009816466 [0,2,0,0,0,0|2,0,0]=4 11879 B15R0.384 COCC(=O)CCCCCCCC(=O)OC 1458a_100000210968_100010004213 [0,2,0,0,0,0|1,0,1]=4 11880 B15R0.384 COCC(C)OCCCCCCC(=O)OC 34a_100009863599_100000765312 [0,2,0,0,0,0|2,0,0]=4 11881 B15R0.384 COCC(C)OCCCCCCC(=O)OC 7a_100009863599_100000765312 [0,2,0,0,0,0|2,0,0]=4 11882 B15R0.384 COCC(C)SCCCCCCC(=O)OC 62a_100000765312_100009815986 [0,2,0,0,0,0|2,0,0]=4 11883 B15R0.384 COCC(C)SCCCCCCC(=O)OC 62a_100009815986_100000765312 [0,2,0,0,0,0|2,0,0]=4 11884 B15R0.384 COCC(N)COCCCCCC(=O)OC 34a_100000724102_100009816466 [0,2,0,0,0,0|2,0,0]=4 11885 B15R0.384 COCC(O)CNCCCCCC(=O)OC 2230a_100000756049_100009816466 [0,2,0,0,0,0|2,0,0]=4 11886 B15R0.384 COCC(O)CNCCCCCC(=O)OC 34a_100000756049_100009816466 [0,2,0,0,0,0|2,0,0]=4 11887 B15R0.384 COCC(O)COCCCCCC(=O)OC 34a_100000074720_100011215053 [0,2,0,0,0,0|2,0,0]=4 11888 B15R0.384 COCC(O)COCCCCCC(=O)OC 7a_100000074720_100011215053 [0,2,0,0,0,0|2,0,0]=4 11889 B15R0.384 COCC(O)CSCCCCCC(=O)OC 62a_100009816466_100011215053 [0,2,0,0,0,0|2,0,0]=4 11890 B15R0.384 COCC(O)CSCCCCCC(=O)OC 62a_100011215053_100009816466 [0,2,0,0,0,0|2,0,0]=4 11891 B15R0.384 COC[C@@H](C)NCCCCCCC(=O)OC 2230a_100000764878_100009815986 [0,2,0,0,0,0|2,0,0]=4 11892 B15R0.384 COC[C@@H](C)OCCCCCCC(=O)OC 34a_100011934205_100009815986 [0,2,0,0,0,0|2,0,0]=4 11893 B15R0.2405 CCCCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210759 [0,2,0,0,0,0|1,0,1]=4 11894 B15R0.2405 CCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210759 [0,2,0,0,0,0|0,0,1]=3 11895 B15R0.2405 CCCCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210759 [0,2,0,0,0,0|1,0,1]=4 11896 B15R0.2405 CCCCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210188 [0,2,0,0,0,0|1,0,1]=4 11897 B15R0.2405 CCCCCCCCC(C)NCC(=O)NC 270004a_100000693194_100011216694 [0,2,0,0,0,0|2,0,0]=4 11898 B15R0.2405 CCCCCCCCC(C)OCC(=O)CC 7a_100000210740_100000747405 [0,2,0,0,0,0|2,0,0]=4 11899 B15R0.2405 CCCCCCCCC(C)OCC(=O)NC 34a_100000210740_100000183359 [0,2,0,0,0,0|2,0,0]=4 11900 B15R0.2405 CCCCCCCCC(C)OCC(=O)NC 7a_100000210740_100000183359 [0,2,0,0,0,0|2,0,0]=4 11901 B15R0.2405 CCCCCCCCC(C)OCC(=O)OC 34a_100000210740_100000747449 [0,2,0,0,0,0|1,0,0]=3 11902 B15R0.2405 CCCCCCCCC(C)OCC(=O)OC 7a_100000210740_100000747449 [0,2,0,0,0,0|1,0,0]=3 11903 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 2230a_100000207567_100000737683 [0,2,0,0,0,0|2,0,0]=4 11904 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210759 [0,2,0,0,0,0|2,0,0]=4 11905 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 269982a_100000207567_100000737683 [0,2,0,0,0,0|2,0,0]=4 11906 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210759 [0,2,0,0,0,0|2,0,0]=4 11907 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 2230a_100000207567_100000204255 [0,2,0,0,0,0|1,0,0]=3 11908 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 269982a_100000207567_100000204255 [0,2,0,0,0,0|1,0,0]=3 11909 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210759 [0,2,0,0,0,0|1,0,0]=3 11910 B15R0.2405 CCCCCCCNC(=O)CCC(=O)OC 11a_100000229938_100000187943 [0,2,0,0,0,0|1,0,1]=4 11911 B15R0.2405 CCCCCCCNC(=O)CCC(=O)OC 1626a_100000229938_100000187943 [0,2,0,0,0,0|1,0,1]=4 11912 B15R0.2405 CCCCCCCNC(=O)CCC(=O)OC 240690a_100000229938_100000187943 [0,2,0,0,0,0|1,0,1]=4 11913 B15R0.2405 CCCCCCCNC(=O)CCC(=O)OC 527a_100000229938_100000187943 [0,2,0,0,0,0|1,0,1]=4 11914 B15R0.2405 CCCCCCNCC(=O)CCC(=O)OC 2230a_100000210581_100000691467 [0,2,0,0,0,0|1,0,1]=4 11915 B15R0.2405 CCCCCCOCC(=O)CCC(=O)OC 34a_100000210259_100000691467 [0,2,0,0,0,0|1,0,1]=4 11916 B15R0.2405 CCCCCCOCC(=O)CCC(=O)OC 7a_100000210259_100000691467 [0,2,0,0,0,0|1,0,1]=4 11917 B15R0.2405 CCCCCCSCC(=O)CCC(=O)OC 62a_100000210314_100000691467 [0,2,0,0,0,0|1,0,1]=4 11918 B15R0.2405 CCCCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210757 [0,2,0,0,0,0|1,0,1]=4 11919 B15R0.2405 COC(=O)CCC(=O)CCCCCCCO 1458a_100000187943_100000760002 [0,2,0,0,0,0|1,0,1]=4 11920 B15R0.2405 COC(=O)CCN(C)CCCCCCCO 269982a_100025711912_100000760002 [0,2,0,0,0,0|2,0,0]=4 11921 B15R0.2405 COCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100011998445 [0,2,0,0,0,0|1,0,1]=4 11922 B15R0.2405 COCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100011998445 [0,2,0,0,0,0|2,0,0]=4 11923 B15R0.3221 CCCCCCCCCC(=O)CC(=O)CC 1458a_100000210558_100000747405 [0,2,0,0,0,0|1,0,1]=4 11924 B15R0.3221 CCCCCCCCCC(=O)CC(=O)NC 1458a_100000210558_100000183359 [0,2,0,0,0,0|1,0,1]=4 11925 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000210558_100000747449 [0,2,0,0,0,0|0,0,1]=3 11926 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210670 [0,2,0,0,0,0|0,0,1]=3 11927 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 1626a_100102657272_200012339438 [0,2,0,0,0,0|1,0,0]=3 11928 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 240690a_100102657272_200012339438 [0,2,0,0,0,0|1,0,0]=3 11929 B15R0.3221 CCCCCCCCCN(C)CC(=O)CC 269982a_100000232482_100000747405 [0,2,0,0,0,0|2,0,0]=4 11930 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011214924 [0,2,0,0,0,0|2,0,0]=4 11931 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000232482_100000183359 [0,2,0,0,0,0|2,0,0]=4 11932 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 269982a_100000232482_100000183359 [0,2,0,0,0,0|2,0,0]=4 11933 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011214924 [0,2,0,0,0,0|1,0,0]=3 11934 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000232482_100000747449 [0,2,0,0,0,0|1,0,0]=3 11935 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 269982a_100000232482_100000747449 [0,2,0,0,0,0|1,0,0]=3 11936 B15R0.3221 CCCCCCCCNC(=O)CC(=O)OC 240690a_100000229939_100000211351 [0,2,0,0,0,0|1,0,1]=4 11937 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 2230a_100000229939_100009817358 [0,2,0,0,0,0|1,0,0]=3 11938 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 34a_100000229939_100009817358 [0,2,0,0,0,0|1,0,0]=3 11939 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 34a_100000210232_100009817358 [0,2,0,0,0,0|1,0,0]=3 11940 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 7a_100000210232_100009817358 [0,2,0,0,0,0|1,0,0]=3 11941 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100000210759_100009817358 [0,2,0,0,0,0|1,0,0]=3 11942 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210317 [0,2,0,0,0,0|1,0,0]=3 11943 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210272_100000754131 [0,2,0,0,0,0|1,0,0]=3 11944 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210272_100000754131 [0,2,0,0,0,0|1,0,0]=3 11945 B15R0.3221 CCCCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210316 [0,2,0,0,0,0|1,0,1]=4 11946 B15R0.3221 CCCCCCCSCC(=O)CC(=O)OC 62a_100000210614_100000210525 [0,2,0,0,0,0|1,0,1]=4 11947 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210614_100000754131 [0,2,0,0,0,0|1,0,0]=3 11948 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210316 [0,2,0,0,0,0|1,0,0]=3 11949 B15R0.3221 CCCCCNCCOC(C)CC(=O)OC 34a_100000224656_100009817358 [0,2,0,0,0,0|2,0,0]=4 11950 B15R0.3221 CCCCCOCCOC(C)CC(=O)OC 34a_100011215259_100009817358 [0,2,0,0,0,0|2,0,0]=4 11951 B15R0.3221 CCCCCOCCOC(C)CC(=O)OC 7a_100011215259_100009817358 [0,2,0,0,0,0|2,0,0]=4 11952 B15R0.3221 CCCCOCCCNC(C)CC(=O)OC 2230a_200000211371_100009817358 [0,2,0,0,0,0|2,0,0]=4 11953 B15R0.3221 CCCCOCCCNC(C)CC(=O)OC 34a_200000211371_100009817358 [0,2,0,0,0,0|2,0,0]=4 11954 B15R0.3221 CCCCOCCCOC(C)CC(=O)OC 34a_200011215613_100009817358 [0,2,0,0,0,0|2,0,0]=4 11955 B15R0.3221 CCCCOCCCOC(C)CC(=O)OC 7a_200011215613_100009817358 [0,2,0,0,0,0|2,0,0]=4 11956 B15R0.3221 CCCCOCCOC[C@H](O)CC(=O)OC 34a_100000210238_100000754131 [0,2,0,0,0,0|2,0,0]=4 11957 B15R0.3221 CCCCOCCOC[C@H](O)CC(=O)OC 7a_100000210238_100000754131 [0,2,0,0,0,0|2,0,0]=4 11958 B15R0.3221 CCCCOCCSC[C@H](O)CC(=O)OC 62a_100000743108_100000754131 [0,2,0,0,0,0|2,0,0]=4 11959 B15R0.3221 CCCCOCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000743108 [0,2,0,0,0,0|2,0,0]=4 11960 B15R0.3221 CCCCSCCOC[C@H](O)CC(=O)OC 34a_200000230436_100000754131 [0,2,0,0,0,0|2,0,0]=4 11961 B15R0.3221 CCCCSCCOC[C@H](O)CC(=O)OC 7a_200000230436_100000754131 [0,2,0,0,0,0|2,0,0]=4 11962 B15R0.3221 CCCOCCCNC[C@H](O)CC(=O)OC 34a_100011217757_100000754131 [0,2,0,0,0,0|2,0,0]=4 11963 B15R0.3221 CNCCCCCOC[C@H](O)CC(=O)OC 34a_100000722520_100000754131 [0,2,0,0,0,0|2,0,0]=4 11964 B15R0.3221 COC(=O)CC(=O)CCCCCCCCO 1458a_100000211351_100000033203 [0,2,0,0,0,0|1,0,1]=4 11965 B15R0.3221 COC(=O)CC(C)NCCCCCCCO 2230a_100011996573_100009817358 [0,2,0,0,0,0|2,0,0]=4 11966 B15R0.3221 COC(=O)CC(C)NCCCCCCCO 34a_100011996573_100009817358 [0,2,0,0,0,0|2,0,0]=4 11967 B15R0.3221 COC(=O)CC(C)OCCCCCCCBr 34a_100000760002_100009817358 [0,2,0,0,0,0|2,0,0]=4 11968 B15R0.3221 COC(=O)CC(C)OCCCCCCCBr 7a_100000760002_100009817358 [0,2,0,0,0,0|2,0,0]=4 11969 B15R0.3221 COC(=O)CC(C)OCCCCCCCN 34a_100011996573_100009817358 [0,2,0,0,0,0|2,0,0]=4 11970 B15R0.3221 COC(=O)CC(C)SCCCCCCCO 62a_100000760002_100009817358 [0,2,0,0,0,0|2,0,0]=4 11971 B15R0.3221 COC(=O)CC(C)SCCCCCCCO 62a_100009817358_100000760002 [0,2,0,0,0,0|2,0,0]=4 11972 B15R0.3221 COC(=O)CN(C)CCCCCCCCO 2230a_100000198492_100000033203 [0,2,0,0,0,0|2,0,0]=4 11973 B15R0.3221 COC(=O)C[C@@H](O)CNCCCCCCO 34a_100000686447_100000754131 [0,2,0,0,0,0|2,0,0]=4 11974 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCBr 34a_100011215345_100000754131 [0,2,0,0,0,0|2,0,0]=4 11975 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCBr 7a_100011215345_100000754131 [0,2,0,0,0,0|2,0,0]=4 11976 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCCl 34a_100000766143_100000754131 [0,2,0,0,0,0|2,0,0]=4 11977 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCCl 7a_100000766143_100000754131 [0,2,0,0,0,0|2,0,0]=4 11978 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCF 34a_100000732779_100000754131 [0,2,0,0,0,0|2,0,0]=4 11979 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCF 7a_100000732779_100000754131 [0,2,0,0,0,0|2,0,0]=4 11980 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCN 34a_100000686447_100000754131 [0,2,0,0,0,0|2,0,0]=4 11981 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCF 62a_100000754131_100015922095 [0,2,0,0,0,0|2,0,0]=4 11982 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCF 62a_100015922095_100000754131 [0,2,0,0,0,0|2,0,0]=4 11983 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCO 62a_100000754131_100000766143 [0,2,0,0,0,0|2,0,0]=4 11984 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCO 62a_100000766143_100000754131 [0,2,0,0,0,0|2,0,0]=4 11985 B15R0.3221 COCCCCCCOC(C)CC(=O)OC 34a_200012092642_100009817358 [0,2,0,0,0,0|2,0,0]=4 11986 B15R0.3221 COCCCCCCOC(C)CC(=O)OC 7a_200012092642_100009817358 [0,2,0,0,0,0|2,0,0]=4 11987 B15R0.3221 COCCCCCCSC(C)CC(=O)OC 62a_100009817358_100011998445 [0,2,0,0,0,0|2,0,0]=4 11988 B15R0.3221 COCCCCCCSC(C)CC(=O)OC 62a_100011998445_100009817358 [0,2,0,0,0,0|2,0,0]=4 11989 B15R0.3221 COCCCCCNC[C@H](O)CC(=O)OC 34a_100000747528_100000754131 [0,2,0,0,0,0|2,0,0]=4 11990 B15R0.195 CCCCCCC(C)CCOC(C)C(=O)C 7a_200011024964_100000179758 [0,2,0,0,0,0|2,0,0]=4 11991 B15R0.195 CCCCCCC(C)CCOC(C)C(=O)N 34a_200011024964_100000702099 [0,2,0,0,0,0|2,0,0]=4 11992 B15R0.195 CCCCCCC(C)CCOC(C)C(=O)N 7a_200011024964_100000702099 [0,2,0,0,0,0|2,0,0]=4 11993 B15R0.195 CCCCCCC(C)CCOC(F)C(=O)N 34a_200011024964_100009813875 [0,2,0,0,0,0|2,0,0]=4 11994 B15R0.195 CCCCCCC(C)CCOC(F)C(=O)N 7a_200011024964_100009813875 [0,2,0,0,0,0|2,0,0]=4 11995 B15R0.195 CCCCCCC(C)CCOC(F)C(=O)[O-] 34a_200011024964_100020610796 [0,2,0,0,0,0|1,0,1]=4 11996 B15R0.321 CC(C(=O)O)N(C)CCCCCCCCO 269956a_100000749554_100000033203 [0,2,0,0,0,0|2,0,0]=4 11997 B15R0.321 CCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210558_100000179758 [0,2,0,0,0,0|1,0,1]=4 11998 B15R0.321 CCCCCCCCCC(=O)C(C)C(=O)N 1458a_100000210558_100000702099 [0,2,0,0,0,0|1,0,1]=4 11999 B15R0.321 CCCCCCCCCC(=O)C(F)C(=O)N 1458a_100000210558_100009813875 [0,2,0,0,0,0|1,0,1]=4 12000 B15R0.321 CCCCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000210558_100020610796 [0,2,0,0,0,0|0,0,2]=4 12001 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)C 2230a_100000232482_100009814033 [0,2,0,0,0,0|2,0,0]=4 12002 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)C 269982a_100000232482_100009814033 [0,2,0,0,0,0|2,0,0]=4 12003 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)N 2230a_100000232482_100000702099 [0,2,0,0,0,0|2,0,0]=4 12004 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)N 269982a_100000232482_100000184083 [0,2,0,0,0,0|2,0,0]=4 12005 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210670 [0,2,0,0,0,0|1,0,0]=3 12006 B15R0.321 CCCCCCCCCN(C)C(F)C(=O)N 2230a_100000232482_100009813875 [0,2,0,0,0,0|2,0,0]=4 12007 B15R0.321 CCCCCCCCCN(C)C(F)C(=O)N 269982a_100000232482_100009813875 [0,2,0,0,0,0|2,0,0]=4 12008 B15R0.321 CCCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210759 [0,2,0,0,0,0|2,0,0]=4 12009 B15R0.1626 CC(C)(CNCCCCCCCO)C(=O)O 269956a_100000693527_100000760002 [0,2,0,0,0,0|2,0,0]=4 12010 B15R0.1626 CCCCCCCCCNC(C)(C)C(=O)N 2230a_100000212291_100000702505 [0,2,0,0,0,0|2,0,0]=4 12011 B15R0.1626 CCCCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100011214924 [0,2,0,0,0,0|2,0,0]=4 12012 B15R0.1626 CCCCCCCCCNC(C)(C)C(=O)N 34a_100000212291_100000702505 [0,2,0,0,0,0|2,0,0]=4 12013 B15R0.1626 CCCCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100011214924 [0,2,0,0,0,0|2,0,0]=4 12014 B15R0.1626 CCCCCCCCCNC(F)(F)C(=O)[O-] 34a_100000212291_100020612412 [0,2,0,0,0,0|1,0,1]=4 12015 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100011214924 [0,2,0,0,0,0|2,0,0]=4 12016 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)C 7a_100000210712_100000075568 [0,2,0,0,0,0|2,0,0]=4 12017 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210328 [0,2,0,0,0,0|2,0,0]=4 12018 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)N 34a_100000210712_100000702505 [0,2,0,0,0,0|2,0,0]=4 12019 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100011214924 [0,2,0,0,0,0|2,0,0]=4 12020 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)N 7a_100000210712_100000702505 [0,2,0,0,0,0|2,0,0]=4 12021 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100000210328 [0,2,0,0,0,0|2,0,0]=4 12022 B15R0.1626 CCCCCCCCCOC(F)(F)C(=O)N 7a_100000210712_100009811971 [0,2,0,0,0,0|2,0,0]=4 12023 B15R0.1626 CCCCCCCCCOC(F)(F)C(=O)[O-] 34a_100000210712_100020612412 [0,2,0,0,0,0|1,0,1]=4 12024 B15R0.1626 CCCCCCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210670 [0,2,0,0,0,0|2,0,0]=4 12025 B15R0.1626 CCCCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100000210670 [0,2,0,0,0,0|2,0,0]=4 12026 B15R0.1626 CCCCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100000210670 [0,2,0,0,0,0|2,0,0]=4 12027 B15R0.1626 CCCCCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210670 [0,2,0,0,0,0|1,0,1]=4 12028 B15R0.1626 CCCCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210759 [0,2,0,0,0,0|2,0,0]=4 12029 B15R0.1626 CCCCCCCCNCC(C)(C)C(=O)N 34a_100000229939_200009895572 [0,2,0,0,0,0|2,0,0]=4 12030 B15R0.1626 CCCCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100000210759 [0,2,0,0,0,0|2,0,0]=4 12031 B15R0.1626 CCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210759 [0,2,0,0,0,0|1,0,0]=3 12032 B15R0.1626 CCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210759 [0,2,0,0,0,0|1,0,0]=3 12033 B15R0.1626 CCCCCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210759 [0,2,0,0,0,0|2,0,0]=4 12034 B15R0.1626 CCCCCCCCOCC(C)(C)C(=O)N 34a_100000210232_200009895572 [0,2,0,0,0,0|2,0,0]=4 12035 B15R0.1626 CCCCCCCCSCC(C)(C)C(=O)N 62a_100000210759_200009895572 [0,2,0,0,0,0|2,0,0]=4 12036 B15R0.1626 CCCCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210317 [0,2,0,0,0,0|2,0,0]=4 12037 B15R0.1626 COCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100011998445 [0,2,0,0,0,0|2,0,0]=4 12038 B15R0.1626 COCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100011998445 [0,2,0,0,0,0|2,0,0]=4 12039 B15R0.1626 O=C(O)C(F)(F)CNCCCCCCCO 269956a_100000734215_100000760002 [0,2,0,0,0,0|2,0,0]=4 12040 B15R0.1997 C=C[C@H](NCCCCCCCCC)C(=O)O 269956a_100016992060_100000210670 [0,2,0,0,0,0|1,0,0]=3 12041 B15R0.1997 C=C[C@H](NCCCCCCCCO)C(=O)O 269956a_100016992060_100000033203 [0,2,0,0,0,0|2,0,0]=4 12042 B15R0.1997 CCCCCCCCCNC(C#N)C(=O)N 2230a_100000039599_100011214924 [0,2,0,0,0,0|2,0,0]=4 12043 B15R0.1997 CCCCCCCCCNC(CC)C(=O)N 2230a_100000212291_100000750255 [0,2,0,0,0,0|2,0,0]=4 12044 B15R0.1997 CCCCCCCCCNC(CC)C(=O)N 2230a_100000733705_100011214924 [0,2,0,0,0,0|2,0,0]=4 12045 B15R0.1997 CCCCCCCCCNC(CC)C(=O)N 34a_100000212291_100000750255 [0,2,0,0,0,0|2,0,0]=4 12046 B15R0.1997 CCCCCCCCCNC(CC)C(=O)N 34a_100000733705_100011214924 [0,2,0,0,0,0|2,0,0]=4 12047 B15R0.1997 CCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210670 [0,2,0,0,0,0|1,0,0]=3 12048 B15R0.1997 CCCCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011214924 [0,2,0,0,0,0|2,0,0]=4 12049 B15R0.1997 CCCCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100011214924 [0,2,0,0,0,0|2,0,0]=4 12050 B15R0.1997 CCCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210670 [0,2,0,0,0,0|1,0,0]=3 12051 B15R0.1997 CCCCCCCCCOC(CC)C(=O)N 34a_100000210712_100000750255 [0,2,0,0,0,0|2,0,0]=4 12052 B15R0.1997 CCCCCCCCCOC(CC)C(=O)N 7a_100000210712_100000750255 [0,2,0,0,0,0|2,0,0]=4 12053 B15R0.1997 CCCCCCCCCSC(CC)C(=O)N 62a_100000750255_100000210670 [0,2,0,0,0,0|2,0,0]=4 12054 B15R0.1997 CC[C@@H](NCCCCCCCCO)C(=O)O 269956a_100000747097_100000033203 [0,2,0,0,0,0|2,0,0]=4 12055 B15R0.1997 O=C(O)C(CO)NCCCCCCCCO 269956a_100000187304_100000033203 [0,2,0,0,0,0|2,0,0]=4 12056 B15R0.3230 CCCCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011216694 [0,2,0,0,0,0|2,0,0]=4 12057 B15R0.3230 CCCCCCCCC(C)OC(C)C(=O)C 7a_100000210740_100000179758 [0,2,0,0,0,0|2,0,0]=4 12058 B15R0.3230 CCCCCCCCC(C)OC(C)C(=O)N 34a_100000210740_100000702099 [0,2,0,0,0,0|2,0,0]=4 12059 B15R0.3230 CCCCCCCCC(C)OC(C)C(=O)N 7a_100000210740_100000702099 [0,2,0,0,0,0|2,0,0]=4 12060 B15R0.3230 CCCCCCCCC(C)OC(F)C(=O)N 34a_100000210740_100009813875 [0,2,0,0,0,0|2,0,0]=4 12061 B15R0.3230 CCCCCCCCC(C)OC(F)C(=O)N 7a_100000210740_100009813875 [0,2,0,0,0,0|2,0,0]=4 12062 B15R0.3230 CCCCCCCCC(C)OC(F)C(=O)[O-] 34a_100000210740_100020610796 [0,2,0,0,0,0|1,0,1]=4 12063 B15R0.88 C=C(C)CCC(C)NCCCCCCCC 270004a_100000229939_100011215600 [0,2,0,0,0,0|2,0,0]=4 12064 B15R0.88 C=C(C)CCN(C)CCCCCCCCC 2230a_100000232482_100000730704 [0,2,0,0,0,0|2,0,0]=4 12065 B15R0.88 C=C(C)CCN(C)CCCCCCCCC 269982a_100000232482_100000730704 [0,2,0,0,0,0|2,0,0]=4 12066 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [0,2,0,0,0,0|1,0,0]=3 12067 B15R0.88 CCCCCCCCCC(=O)CCC(C)O 1458a_100000210558_100012276601 [0,2,0,0,0,0|1,0,1]=4 12068 B15R0.88 CCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210670 [0,2,0,0,0,0|1,0,1]=4 12069 B15R0.88 CCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210670 [0,2,0,0,0,0|1,0,1]=4 12070 B15R0.88 CCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210670 [0,2,0,0,0,0|1,0,1]=4 12071 B15R0.88 CCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210670 [0,2,0,0,0,0|1,0,1]=4 12072 B15R0.88 CCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210670 [0,2,0,0,0,0|1,0,1]=4 12073 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 12074 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 12075 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 12076 B15R0.88 CCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_200010990708 [0,2,0,0,0,0|1,0,1]=4 12077 B15R0.88 CCCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011215753 [0,2,0,0,0,0|1,0,1]=4 12078 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 34a_100011218016_100000187820 [0,2,0,0,0,0|1,0,0]=3 12079 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 7a_100011218016_100000187820 [0,2,0,0,0,0|1,0,0]=3 12080 B15R0.88 CCCCCCCCCC(C)OCC(=O)[O-] 34a_100011218016_100020667443 [0,2,0,0,0,0|0,0,1]=3 12081 B15R0.88 CCCCCCCCCC(C)OCC(C)O 34a_100011218016_100011218427 [0,2,0,0,0,0|1,0,1]=4 12082 B15R0.88 CCCCCCCCCC(C)OCC(C)O 7a_100011218016_100011218427 [0,2,0,0,0,0|1,0,1]=4 12083 B15R0.88 CCCCCCCCCC(C)OC[C@@H](C)O 34a_100011218016_100009817552 [0,2,0,0,0,0|1,0,1]=4 12084 B15R0.88 CCCCCCCCCC(C)OC[C@@H](C)O 7a_100011218016_100009817552 [0,2,0,0,0,0|1,0,1]=4 12085 B15R0.88 CCCCCCCCCC(C)OC[N+](=O)[O-] 34a_100011218016_100000761209 [0,2,0,0,0,0|1,0,1]=4 12086 B15R0.88 CCCCCCCCCN(C)CCC(=O)C 269982a_100000232482_100000053229 [0,2,0,0,0,0|1,0,0]=3 12087 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000232482_100000744528 [0,2,0,0,0,0|1,0,0]=3 12088 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011214924 [0,2,0,0,0,0|1,0,0]=3 12089 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 269982a_100000232482_100000744528 [0,2,0,0,0,0|1,0,0]=3 12090 B15R0.88 CCCCCCCCCN(C)CCC(C)O 2230a_100000232482_100012276601 [0,2,0,0,0,0|1,0,1]=4 12091 B15R0.88 CCCCCCCCCN(C)CCC(C)O 269982a_100000232482_100012276601 [0,2,0,0,0,0|1,0,1]=4 12092 B15R0.88 CCCCCCCCCN(C)COC(=O)C 269982a_100000232482_100000076356 [0,2,0,0,0,0|2,0,0]=4 12093 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 240690a_100000229939_100011215257 [0,2,0,0,0,0|1,0,1]=4 12094 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 527a_100000229939_100011215257 [0,2,0,0,0,0|1,0,1]=4 12095 B15R0.88 CCCCCCCCNC(C)COC(=O)C 270004a_100000229939_100000000629 [0,2,0,0,0,0|2,0,0]=4 12096 B15R0.88 CCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210614 [0,2,0,0,0,0|1,0,1]=4 12097 B15R0.88 CCCCCCCNCC(C)CSC(=O)C 2230a_100000229938_200000116872 [0,2,0,0,0,0|2,0,0]=4 12098 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 34a_100000210272_200000116872 [0,2,0,0,0,0|2,0,0]=4 12099 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 7a_100000210272_200000116872 [0,2,0,0,0,0|2,0,0]=4 12100 B15R0.88 CCCCCCCOCC(O)COC(=O)C 34a_100000210272_200000139349 [0,2,0,0,0,0|2,0,0]=4 12101 B15R0.88 CCCCCCCOCC(O)COC(=O)C 7a_100000210272_200000139349 [0,2,0,0,0,0|2,0,0]=4 12102 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_100000210614_200000116872 [0,2,0,0,0,0|2,0,0]=4 12103 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210316 [0,2,0,0,0,0|2,0,0]=4 12104 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_100000210614_200000139349 [0,2,0,0,0,0|2,0,0]=4 12105 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210316 [0,2,0,0,0,0|2,0,0]=4 12106 B15R0.88 CCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210757 [0,2,0,0,0,0|1,0,1]=4 12107 B15R0.88 CN(CCCCCCCCO)CCC(=O)N 2230a_100000730477_100000033203 [0,2,0,0,0,0|2,0,0]=4 12108 B15R0.88 NC(=O)CCC(=O)CCCCCCCCO 1458a_100011215257_100000033203 [0,2,0,0,0,0|1,0,1]=4 12109 B15R0.3231 CCCCCCCCC(CC)OCC(=O)N 34a_200011216270_100000187820 [0,2,0,0,0,0|2,0,0]=4 12110 B15R0.3231 CCCCCCCCC(CC)OCC(=O)N 7a_200011216270_100000187820 [0,2,0,0,0,0|2,0,0]=4 12111 B15R0.3231 CCCCCCCCC(CC)OCC(=O)[O-] 34a_200011216270_100020667443 [0,2,0,0,0,0|1,0,1]=4 12112 B15R0.3231 CCCCCCCCN(CC)CCC(=O)N 2230a_100020645749_100000210759 [0,2,0,0,0,0|2,0,0]=4 12113 B15R0.3245 CCCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100011216694 [0,2,0,0,0,0|2,0,0]=4 12114 B15R0.3245 CCCCCCCCC(O)C(=O)CC(=O)N 1458a_200011995895_100000187820 [0,2,0,0,0,0|1,0,1]=4 12115 B15R0.3245 CCCCCCCCC(O)C(=O)CC(=O)[O-] 1458a_200011995895_100020667443 [0,2,0,0,0,0|0,0,2]=4 12116 B15R0.69 C#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012276617 [0,2,0,0,0,0|0,0,2]=4 12117 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000207566_100000748629 [0,2,0,0,0,0|2,0,0]=4 12118 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000225649_100000210320 [0,2,0,0,0,0|2,0,0]=4 12119 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000207566_100000748629 [0,2,0,0,0,0|2,0,0]=4 12120 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000225649_100000210320 [0,2,0,0,0,0|2,0,0]=4 12121 B15R0.69 C=C(F)CC(=O)CCCCCCCCCC 1458a_100000210375_100009893438 [0,2,0,0,0,0|2,0,0]=4 12122 B15R0.69 C=C(F)CN(C)CCCCCCCCCC 2230a_100000207566_100009893438 [0,2,0,0,0,0|2,0,0]=4 12123 B15R0.69 C=C(F)CN(C)CCCCCCCCCC 269982a_100000207566_100009893438 [0,2,0,0,0,0|2,0,0]=4 12124 B15R0.69 C=CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011933949 [0,2,0,0,0,0|0,0,2]=4 12125 B15R0.69 C=CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215473 [0,2,0,0,0,0|0,0,2]=4 12126 B15R0.69 CCC#CCCCCCCN(C)CC(=O)O 269956a_100000746989_200000036426 [0,2,0,0,0,0|0,0,2]=4 12127 B15R0.69 CCCCCC#CCNCC(O)CC(=O)O 269956a_100011218706_100009816472 [0,2,0,0,0,0|0,0,2]=4 12128 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100000210375_100000187820 [0,2,0,0,0,0|1,0,0]=3 12129 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210319 [0,2,0,0,0,0|1,0,0]=3 12130 B15R0.69 CCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210375_100020667443 [0,2,0,0,0,0|0,0,1]=3 12131 B15R0.69 CCCCCCCCCCC(=O)CC(C)O 1458a_100000210375_100011218427 [0,2,0,0,0,0|1,0,1]=4 12132 B15R0.69 CCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210319 [0,2,0,0,0,0|1,0,1]=4 12133 B15R0.69 CCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210375_100000761209 [0,2,0,0,0,0|1,0,1]=4 12134 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000207566_100000747473 [0,2,0,0,0,0|1,0,0]=3 12135 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210320 [0,2,0,0,0,0|1,0,0]=3 12136 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 269982a_100000207566_100000187820 [0,2,0,0,0,0|1,0,0]=3 12137 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [0,2,0,0,0,0|0,0,0]=2 12138 B15R0.69 CCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000207566_100020667443 [0,2,0,0,0,0|0,0,1]=3 12139 B15R0.69 CCCCCCCCCCN(C)CC(C)O 2230a_100000207566_100011218427 [0,2,0,0,0,0|1,0,1]=4 12140 B15R0.69 CCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210320 [0,2,0,0,0,0|1,0,1]=4 12141 B15R0.69 CCCCCCCCCCN(C)CC(C)O 269982a_100000207566_100011218427 [0,2,0,0,0,0|1,0,1]=4 12142 B15R0.69 CCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210320 [0,2,0,0,0,0|1,0,1]=4 12143 B15R0.69 CCCCCCCCCCN(C)C[C@@H](C)O 2230a_100000207566_100009817552 [0,2,0,0,0,0|1,0,1]=4 12144 B15R0.69 CCCCCCCCCCN(C)C[C@@H](C)O 269982a_100000207566_100009817552 [0,2,0,0,0,0|1,0,1]=4 12145 B15R0.69 CCCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000207566_100000761209 [0,2,0,0,0,0|1,0,1]=4 12146 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 240690a_100000212291_100134613110 [0,2,0,0,0,0|1,0,1]=4 12147 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 527a_100000212291_100134613110 [0,2,0,0,0,0|1,0,1]=4 12148 B15R0.69 CCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210670 [0,2,0,0,0,0|2,0,0]=4 12149 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [0,2,0,0,0,0|0,0,0]=2 12150 B15R0.69 CCCCCCCCOCC(=O)CC(=O)N 1458a_100000759886_100000187820 [0,2,0,0,0,0|1,0,1]=4 12151 B15R0.69 CCCCCCCCOCC(=O)CC(=O)[O-] 1458a_100000759886_100020667443 [0,2,0,0,0,0|0,0,2]=4 12152 B15R0.69 CCOCCOCCNCC(O)CC(=O)O 269956a_100011218706_100011211534 [0,2,0,0,0,0|2,0,0]=4 12153 B15R0.69 CN(CCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813782 [0,2,0,0,0,0|2,0,0]=4 12154 B15R0.69 CN(CCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813782 [0,2,0,0,0,0|1,0,0]=3 12155 B15R0.69 COCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011998445 [0,2,0,0,0,0|1,0,0]=3 12156 B15R0.69 COCCOCCCNCC(O)CC(=O)O 269956a_100011218706_100011216529 [0,2,0,0,0,0|2,0,0]=4 12157 B15R0.69 N#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009813337 [0,2,0,0,0,0|1,0,1]=4 12158 B15R0.69 NC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000187820 [0,2,0,0,0,0|1,0,1]=4 12159 B15R0.69 NC(=O)CC(=O)CCCCCCCCCO 1458a_100134613110_100009813782 [0,2,0,0,0,0|1,0,1]=4 12160 B15R0.69 O=C(O)CC(O)CNCCCCCCCO 269956a_100011218706_100000760002 [0,2,0,0,0,0|1,0,0]=3 12161 B15R0.69 O=C([O-])CC(=O)CCCCCCCCCF 1458a_200009909015_100020667443 [0,2,0,0,0,0|0,0,2]=4 12162 B15R0.187 CCCCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_100011215978 [0,2,0,0,0,0|1,0,0]=3 12163 B15R0.1998 CCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210670 [0,2,0,0,0,0|1,0,0]=3 12164 B15R0.1998 CCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210670 [0,2,0,0,0,0|1,0,1]=4 12165 B15R0.1998 CCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210759 [0,2,0,0,0,0|1,0,0]=3 12166 B15R0.1998 CCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210759 [0,2,0,0,0,0|1,0,0]=3 12167 B15R0.1998 CCN(CCCCCCCCO)CC(=O)O 269956a_100000746405_100000033203 [0,2,0,0,0,0|2,0,0]=4 12168 B15R0.1998 CC[C@H](CC(=O)O)NCCCCCCCO 269956a_100016995926_100000760002 [0,2,0,0,0,0|2,0,0]=4 12169 B15R0.1998 CC[C@H](CC(=O)O)NCCCCCCOC 269956a_100016995926_100011998445 [0,2,0,0,0,0|2,0,0]=4 12170 B15R0.1998 COCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011998445 [0,2,0,0,0,0|2,0,0]=4 12171 B15R0.1998 O=C(O)C[C@@H](CO)NCCCCCCCO 269956a_100009816507_100000760002 [0,2,0,0,0,0|2,0,0]=4 12172 B15R0.5055 CC(C)(CC(=O)O)NCCCCCCCO 269956a_100000755897_100000760002 [0,2,0,0,0,0|2,0,0]=4 12173 B15R0.5055 CCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210759 [0,2,0,0,0,0|2,0,0]=4 12174 B15R0.5055 CCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210759 [0,2,0,0,0,0|1,0,0]=3 12175 B15R0.5055 CCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210759 [0,2,0,0,0,0|2,0,0]=4 12176 B15R0.5055 COCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100011998445 [0,2,0,0,0,0|2,0,0]=4 12177 B15R0.129 CC(=O)CCCCC(=O)CCCCCCO 1458a_100011996774_100000735457 [0,2,0,0,0,0|1,0,1]=4 12178 B15R0.129 CCCCCCCC(=O)CCCCB(O)O 1458a_100000211969_200009817182 [0,2,0,0,0,0|1,0,1]=4 12179 B15R0.129 CCCCCCCC(=O)CCCCC(=O)C 1458a_100000211969_100000735457 [0,2,0,0,0,0|1,0,0]=3 12180 B15R0.129 CCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210614 [0,2,0,0,0,0|1,0,1]=4 12181 B15R0.129 CCCCCCCC(=O)CCCOC(=O)C 1458a_100000211969_100000042594 [0,2,0,0,0,0|1,0,1]=4 12182 B15R0.129 CCCCCCCC(=O)CCCSC(=O)C 1458a_100000211969_100000038929 [0,2,0,0,0,0|1,0,1]=4 12183 B15R0.129 CCCCCCCC(=O)CCOCC(=O)N 1458a_100000211969_100000076697 [0,2,0,0,0,0|1,0,1]=4 12184 B15R0.129 CCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210614 [0,2,0,0,0,0|1,0,1]=4 12185 B15R0.129 CCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211969 [0,2,0,0,0,0|1,0,1]=4 12186 B15R0.129 CCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000211969 [0,2,0,0,0,0|1,0,1]=4 12187 B15R0.129 CCCCCCCC(=O)OCNCC(=O)O 269956a_100016091260_100009852258 [0,2,0,0,0,0|1,0,1]=4 12188 B15R0.129 CCCCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218727 [0,2,0,0,0,0|1,0,0]=3 12189 B15R0.129 CCCCCCCC(C)NCCCS(=O)C 2230a_200000753449_200011218727 [0,2,0,0,0,0|2,0,0]=4 12190 B15R0.129 CCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210596 [0,2,0,0,0,0|2,0,0]=4 12191 B15R0.129 CCCCCCCC(C)NCCNC(=O)C 2230a_100000209853_200011218727 [0,2,0,0,0,0|2,0,0]=4 12192 B15R0.129 CCCCCCCC(C)NCCNC(=O)N 34a_100020590234_200011218727 [0,2,0,0,0,0|2,0,0]=4 12193 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218727 [0,2,0,0,0,0|1,0,0]=3 12194 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_200011215852_100000685027 [0,2,0,0,0,0|1,0,0]=3 12195 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218727 [0,2,0,0,0,0|1,0,0]=3 12196 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_200011215852_100011215641 [0,2,0,0,0,0|1,0,0]=3 12197 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 34a_200011215852_100102525003 [0,2,0,0,0,0|1,0,0]=3 12198 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 7a_200011215852_100102525003 [0,2,0,0,0,0|1,0,0]=3 12199 B15R0.129 CCCCCCCC(C)OCCCC(C)O 34a_200011215852_200000718107 [0,2,0,0,0,0|1,0,1]=4 12200 B15R0.129 CCCCCCCC(C)OCCCC(C)O 7a_200011215852_200000718107 [0,2,0,0,0,0|1,0,1]=4 12201 B15R0.129 CCCCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011218727 [0,2,0,0,0,0|1,0,1]=4 12202 B15R0.129 CCCCCCCC(C)OCCNC(=O)C 34a_100000158858_200011218727 [0,2,0,0,0,0|2,0,0]=4 12203 B15R0.129 CCCCCCCC(C)OCCNC(=O)C 7a_200011215852_100000189650 [0,2,0,0,0,0|2,0,0]=4 12204 B15R0.129 CCCCCCCC(C)OCCNC(=O)N 34a_100000181757_200011218727 [0,2,0,0,0,0|2,0,0]=4 12205 B15R0.129 CCCCCCCC(C)OCCNC(=O)N 7a_200011215852_200000034859 [0,2,0,0,0,0|2,0,0]=4 12206 B15R0.129 CCCCCCCC(C)OCCOC(=O)C 34a_200011215852_100009814007 [0,2,0,0,0,0|2,0,0]=4 12207 B15R0.129 CCCCCCCC(C)OCCOC(=O)C 7a_200011215852_100009814007 [0,2,0,0,0,0|2,0,0]=4 12208 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 34a_200011215852_200011214921 [0,2,0,0,0,0|2,0,0]=4 12209 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 7a_100000766696_200011218727 [0,2,0,0,0,0|2,0,0]=4 12210 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 7a_200011215852_200011214921 [0,2,0,0,0,0|2,0,0]=4 12211 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218727 [0,2,0,0,0,0|1,0,0]=3 12212 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_200011218727_100011215641 [0,2,0,0,0,0|1,0,0]=3 12213 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218727 [0,2,0,0,0,0|1,0,0]=3 12214 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_200011218727_100102525003 [0,2,0,0,0,0|1,0,0]=3 12215 B15R0.129 CCCCCCCC(C)SCCCC(C)O 62a_200000718107_200011218727 [0,2,0,0,0,0|1,0,1]=4 12216 B15R0.129 CCCCCCCC(C)SCCCC(C)O 62a_200011218727_200000718107 [0,2,0,0,0,0|1,0,1]=4 12217 B15R0.129 CCCCCCCC(C)SCCNC(=O)C 62a_100000189650_200011218727 [0,2,0,0,0,0|2,0,0]=4 12218 B15R0.129 CCCCCCCC(C)SCCNC(=O)C 62a_200011218727_100000189650 [0,2,0,0,0,0|2,0,0]=4 12219 B15R0.129 CCCCCCCC(C)SCCNC(=O)N 62a_200000034859_200011218727 [0,2,0,0,0,0|2,0,0]=4 12220 B15R0.129 CCCCCCCC(C)SCCNC(=O)N 62a_200011218727_200000034859 [0,2,0,0,0,0|2,0,0]=4 12221 B15R0.129 CCCCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218727 [0,2,0,0,0,0|2,0,0]=4 12222 B15R0.129 CCCCCCCC(C)SCCOC(=O)C 62a_200011218727_100009814007 [0,2,0,0,0,0|2,0,0]=4 12223 B15R0.129 CCCCCCCC(C)SCCOC(=O)N 62a_200011214921_200011218727 [0,2,0,0,0,0|2,0,0]=4 12224 B15R0.129 CCCCCCCC(C)SCCOC(=O)N 62a_200011218727_200011214921 [0,2,0,0,0,0|2,0,0]=4 12225 B15R0.129 CCCCCCCN(C)CCCCB(O)O 2230a_100000228206_200009817182 [0,2,0,0,0,0|1,0,1]=4 12226 B15R0.129 CCCCCCCN(C)CCCCB(O)O 269982a_100000228206_200009817182 [0,2,0,0,0,0|1,0,1]=4 12227 B15R0.129 CCCCCCCN(C)CCCCC(=O)C 269982a_100000228206_100000735457 [0,2,0,0,0,0|1,0,0]=3 12228 B15R0.129 CCCCCCCN(C)CCCOC(=O)C 269982a_100000228206_100000042594 [0,2,0,0,0,0|2,0,0]=4 12229 B15R0.129 CCCCCCCN(C)CCCSC(=O)C 2230a_100000228206_100000038929 [0,2,0,0,0,0|2,0,0]=4 12230 B15R0.129 CCCCCCCN(C)CCCSC(=O)C 269982a_100000228206_100000038929 [0,2,0,0,0,0|2,0,0]=4 12231 B15R0.129 CCCCCCCN(C)CCOCC(=O)N 2230a_100000228206_100000076697 [0,2,0,0,0,0|2,0,0]=4 12232 B15R0.129 CCCCCCCN(C)CCOCC(=O)N 269982a_100000228206_100000076697 [0,2,0,0,0,0|2,0,0]=4 12233 B15R0.129 COCCCCCC(=O)CCCCC(=O)C 1458a_100011935119_100000735457 [0,2,0,0,0,0|1,0,1]=4 12234 B15R0.164 C#CCCCCCCCCCOCC(=O)N 34a_100000034437_100000187820 [0,2,0,0,0,0|1,0,1]=4 12235 B15R0.164 C#CCCCCCCCCCOCC(=O)N 7a_100000034437_100000187820 [0,2,0,0,0,0|1,0,1]=4 12236 B15R0.164 C#CCCCCCCCCCOCC(=O)[O-] 34a_100000034437_100020667443 [0,2,0,0,0,0|0,0,2]=4 12237 B15R0.164 C#CCCCCCCCCOCCC(=O)C 7a_100000065265_100000053229 [0,2,0,0,0,0|1,0,1]=4 12238 B15R0.164 C#CCCCCCCCCOCCC(=O)N 34a_100000065265_100000731001 [0,2,0,0,0,0|1,0,1]=4 12239 B15R0.164 C#CCCCCCCCCOCCC(=O)N 7a_100000065265_100000744528 [0,2,0,0,0,0|1,0,1]=4 12240 B15R0.164 C#CCCCCCCCNCCCC(=O)N 34a_100000739312_100153394163 [0,2,0,0,0,0|1,0,1]=4 12241 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000054614_100000685027 [0,2,0,0,0,0|1,0,1]=4 12242 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000759063_100153394163 [0,2,0,0,0,0|1,0,1]=4 12243 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000054614_100011215641 [0,2,0,0,0,0|1,0,1]=4 12244 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000759063_100153394163 [0,2,0,0,0,0|1,0,1]=4 12245 B15R0.164 C#CCCCCCCCOCCCC(=O)N 34a_100000054614_100102525003 [0,2,0,0,0,0|1,0,1]=4 12246 B15R0.164 C#CCCCCCCCOCCCC(=O)N 7a_100000054614_100102525003 [0,2,0,0,0,0|1,0,1]=4 12247 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100011215641_100153394163 [0,2,0,0,0,0|1,0,1]=4 12248 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100153394163_100011215641 [0,2,0,0,0,0|1,0,1]=4 12249 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100102525003_100153394163 [0,2,0,0,0,0|1,0,1]=4 12250 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100153394163_100102525003 [0,2,0,0,0,0|1,0,1]=4 12251 B15R0.164 C#CCCCCCCNCCCCC(=O)N 34a_100000696515_100012276617 [0,2,0,0,0,0|1,0,1]=4 12252 B15R0.164 C#CCCCCCCNCCOCC(=O)O 269956a_100000700818_100012276617 [0,2,0,0,0,0|0,0,2]=4 12253 B15R0.164 C#CCCCCCCOCCCCC(=O)C 34a_100011217361_100009817362 [0,2,0,0,0,0|1,0,1]=4 12254 B15R0.164 C#CCCCCCCOCCCCC(=O)C 7a_100011217361_100000735457 [0,2,0,0,0,0|1,0,1]=4 12255 B15R0.164 C#CCCCCCCOCCCCC(=O)N 34a_100012022536_100012276617 [0,2,0,0,0,0|1,0,1]=4 12256 B15R0.164 C#CCCCCCCOCCCCC(=O)N 7a_100012022536_100012276617 [0,2,0,0,0,0|1,0,1]=4 12257 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100000735457_100012276617 [0,2,0,0,0,0|1,0,1]=4 12258 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100012276617_100000735457 [0,2,0,0,0,0|1,0,1]=4 12259 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000123541_100012094781 [0,2,0,0,0,0|1,0,1]=4 12260 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000766912_100009817443 [0,2,0,0,0,0|1,0,1]=4 12261 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000123541_100012094781 [0,2,0,0,0,0|1,0,1]=4 12262 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000766912_100009817443 [0,2,0,0,0,0|1,0,1]=4 12263 B15R0.164 C#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012094781 [0,2,0,0,0,0|0,0,2]=4 12264 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100009817443_100012094781 [0,2,0,0,0,0|1,0,1]=4 12265 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100012094781_100009817443 [0,2,0,0,0,0|1,0,1]=4 12266 B15R0.164 C=C(Br)CCOCCCCCCCCCO 34a_100009813270_100009813782 [0,2,0,0,0,0|2,0,0]=4 12267 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [0,2,0,0,0,0|2,0,0]=4 12268 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [0,2,0,0,0,0|2,0,0]=4 12269 B15R0.164 C=C(C)CCNCCCCCCCCCO 2230a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 12270 B15R0.164 C=C(C)CCNCCCCCCCCCO 34a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 12271 B15R0.164 C=C(C)CCOCCCCCCCCCCl 34a_100009868337_100000730704 [0,2,0,0,0,0|2,0,0]=4 12272 B15R0.164 C=C(C)CCOCCCCCCCCCCl 7a_100009868337_100000730704 [0,2,0,0,0,0|2,0,0]=4 12273 B15R0.164 C=C(C)CCOCCCCCCCCCN 34a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 12274 B15R0.164 C=C(C)CCOCCCCCCCCCO 34a_100000764851_100009813782 [0,2,0,0,0,0|2,0,0]=4 12275 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100000730704_100009813782 [0,2,0,0,0,0|2,0,0]=4 12276 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100009813782_100000730704 [0,2,0,0,0,0|2,0,0]=4 12277 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [0,2,0,0,0,0|2,0,0]=4 12278 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [0,2,0,0,0,0|2,0,0]=4 12279 B15R0.164 C=C(C)CNCCCCCCCCCCO 2230a_100000066964_100000748629 [0,2,0,0,0,0|2,0,0]=4 12280 B15R0.164 C=C(C)CNCCCCCCCCCCO 34a_100000066964_100000748629 [0,2,0,0,0,0|2,0,0]=4 12281 B15R0.164 C=C(C)COCCCCCCCCCCCl 34a_200000033068_100000748629 [0,2,0,0,0,0|2,0,0]=4 12282 B15R0.164 C=C(C)COCCCCCCCCCCCl 7a_200000033068_100000748629 [0,2,0,0,0,0|2,0,0]=4 12283 B15R0.164 C=C(C)COCCCCCCCCCCN 34a_100000066964_100000748629 [0,2,0,0,0,0|2,0,0]=4 12284 B15R0.164 C=C(C)COCCCCCCCCCCO 34a_100000210245_100009813290 [0,2,0,0,0,0|2,0,0]=4 12285 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100000748629_200000033068 [0,2,0,0,0,0|2,0,0]=4 12286 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100009813290_100000211660 [0,2,0,0,0,0|2,0,0]=4 12287 B15R0.164 C=C(F)CNCCCCCCCCCCC 2230a_200011215754_100009893438 [0,2,0,0,0,0|2,0,0]=4 12288 B15R0.164 C=C(F)CNCCCCCCCCCCC 34a_200011215754_100009893438 [0,2,0,0,0,0|2,0,0]=4 12289 B15R0.164 C=C(F)CNCCCCCCCCCCO 2230a_100000066964_100009893438 [0,2,0,0,0,0|2,0,0]=4 12290 B15R0.164 C=C(F)CNCCCCCCCCCCO 34a_100000066964_100009893438 [0,2,0,0,0,0|2,0,0]=4 12291 B15R0.164 C=C(F)COCCCCCCCCCCCl 34a_200000033068_100009893438 [0,2,0,0,0,0|2,0,0]=4 12292 B15R0.164 C=C(F)COCCCCCCCCCCCl 7a_200000033068_100000042424 [0,2,0,0,0,0|2,0,0]=4 12293 B15R0.164 C=C(F)COCCCCCCCCCCN 34a_100000066964_100009893438 [0,2,0,0,0,0|2,0,0]=4 12294 B15R0.164 C=C(F)COCCCCCCCCCCO 34a_200010262243_100009813290 [0,2,0,0,0,0|2,0,0]=4 12295 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100000042424_200000033068 [0,2,0,0,0,0|2,0,0]=4 12296 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100009813290_100000042424 [0,2,0,0,0,0|2,0,0]=4 12297 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000081888_100000747473 [0,2,0,0,0,0|1,0,1]=4 12298 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000711301_100009814027 [0,2,0,0,0,0|1,0,1]=4 12299 B15R0.164 C=CCCCCCCCCCNCC(=O)N 34a_100000081888_100000187820 [0,2,0,0,0,0|1,0,1]=4 12300 B15R0.164 C=CCCCCCCCCCNCC(=O)O 269956a_100016091260_100009814027 [0,2,0,0,0,0|0,0,1]=3 12301 B15R0.164 C=CCCCCCCCCCNCC(=O)[O-] 34a_100000081888_100020667443 [0,2,0,0,0,0|0,0,2]=4 12302 B15R0.164 C=CCCCCCCCCCOCC(=O)C 34a_100000211253_100009814027 [0,2,0,0,0,0|1,0,1]=4 12303 B15R0.164 C=CCCCCCCCCCOCC(=O)N 34a_100000038209_100000187820 [0,2,0,0,0,0|1,0,1]=4 12304 B15R0.164 C=CCCCCCCCCCOCC(=O)N 7a_100000038209_100000187820 [0,2,0,0,0,0|1,0,1]=4 12305 B15R0.164 C=CCCCCCCCCCOCC(=O)[O-] 34a_100000038209_100020667443 [0,2,0,0,0,0|0,0,2]=4 12306 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100000747473_100009814027 [0,2,0,0,0,0|1,0,1]=4 12307 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100009814027_100000747473 [0,2,0,0,0,0|1,0,1]=4 12308 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100009814027_100020667443 [0,2,0,0,0,0|0,0,2]=4 12309 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100009814027 [0,2,0,0,0,0|0,0,2]=4 12310 B15R0.164 C=CCCCCCCCCNOCC(=O)O 269956a_100000106656_100011933949 [0,2,0,0,0,0|0,0,2]=4 12311 B15R0.164 C=CCCCCCCCCOCCC(=O)C 34a_100000759926_100011933949 [0,2,0,0,0,0|1,0,1]=4 12312 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100000759926_100011933949 [0,2,0,0,0,0|1,0,1]=4 12313 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100011215194_100000053229 [0,2,0,0,0,0|1,0,1]=4 12314 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100000757172_100011933949 [0,2,0,0,0,0|1,0,1]=4 12315 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100011215194_100000731001 [0,2,0,0,0,0|1,0,1]=4 12316 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100000757172_100011933949 [0,2,0,0,0,0|1,0,1]=4 12317 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100011215194_100000744528 [0,2,0,0,0,0|1,0,1]=4 12318 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100000053229_100011933949 [0,2,0,0,0,0|1,0,1]=4 12319 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100011933949_100000053229 [0,2,0,0,0,0|1,0,1]=4 12320 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100000744528_100011933949 [0,2,0,0,0,0|1,0,1]=4 12321 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100011933949_100000744528 [0,2,0,0,0,0|1,0,1]=4 12322 B15R0.164 C=CCCCCCCCNCCCC(=O)N 34a_100000739312_100012355270 [0,2,0,0,0,0|1,0,1]=4 12323 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000730831_100000685027 [0,2,0,0,0,0|1,0,1]=4 12324 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000759063_100012355270 [0,2,0,0,0,0|1,0,1]=4 12325 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000730831_100011215641 [0,2,0,0,0,0|1,0,1]=4 12326 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000759063_100012355270 [0,2,0,0,0,0|1,0,1]=4 12327 B15R0.164 C=CCCCCCCCOCCCC(=O)N 34a_100000730831_100102525003 [0,2,0,0,0,0|1,0,1]=4 12328 B15R0.164 C=CCCCCCCCOCCCC(=O)N 7a_100000730831_100102525003 [0,2,0,0,0,0|1,0,1]=4 12329 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100011215641_100012355270 [0,2,0,0,0,0|1,0,1]=4 12330 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100012355270_100011215641 [0,2,0,0,0,0|1,0,1]=4 12331 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100012355270_100102525003 [0,2,0,0,0,0|1,0,1]=4 12332 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100102525003_100012355270 [0,2,0,0,0,0|1,0,1]=4 12333 B15R0.164 C=CCCCCCCNCCCCC(=O)N 34a_100000696515_100011215473 [0,2,0,0,0,0|1,0,1]=4 12334 B15R0.164 C=CCCCCCCNCCOCC(=O)O 269956a_100000700818_100011215473 [0,2,0,0,0,0|0,0,2]=4 12335 B15R0.164 C=CCCCCCCOCCCCC(=O)C 34a_200011216477_100009817362 [0,2,0,0,0,0|1,0,1]=4 12336 B15R0.164 C=CCCCCCCOCCCCC(=O)C 7a_200011216477_100000735457 [0,2,0,0,0,0|1,0,1]=4 12337 B15R0.164 C=CCCCCCCOCCCCC(=O)N 34a_100012022536_100011215473 [0,2,0,0,0,0|1,0,1]=4 12338 B15R0.164 C=CCCCCCCOCCCCC(=O)N 7a_100012022536_100011215473 [0,2,0,0,0,0|1,0,1]=4 12339 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100000735457_100011215473 [0,2,0,0,0,0|1,0,1]=4 12340 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100011215473_100000735457 [0,2,0,0,0,0|1,0,1]=4 12341 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100000123541_100000700193 [0,2,0,0,0,0|1,0,1]=4 12342 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100011216702_100009817443 [0,2,0,0,0,0|1,0,1]=4 12343 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100000123541_100000700193 [0,2,0,0,0,0|1,0,1]=4 12344 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100011216702_100009817443 [0,2,0,0,0,0|1,0,1]=4 12345 B15R0.164 C=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000700193 [0,2,0,0,0,0|0,0,2]=4 12346 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100000700193_100009817443 [0,2,0,0,0,0|1,0,1]=4 12347 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100009817443_100000700193 [0,2,0,0,0,0|1,0,1]=4 12348 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [0,2,0,0,0,0|1,0,0]=3 12349 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [0,2,0,0,0,0|1,0,0]=3 12350 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [0,2,0,0,0,0|1,0,0]=3 12351 B15R0.164 CC(=O)CCCCNCCCOCCCO 34a_100011310245_100009817362 [0,2,0,0,0,0|2,0,0]=4 12352 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [0,2,0,0,0,0|1,0,0]=3 12353 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [0,2,0,0,0,0|1,0,0]=3 12354 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [0,2,0,0,0,0|1,0,0]=3 12355 B15R0.164 CC(=O)CCCCOCCCOCCCN 34a_100011310245_100009817362 [0,2,0,0,0,0|2,0,0]=4 12356 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100000735457_100009813337 [0,2,0,0,0,0|1,0,1]=4 12357 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000735457 [0,2,0,0,0,0|1,0,1]=4 12358 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [0,2,0,0,0,0|1,0,0]=3 12359 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [0,2,0,0,0,0|1,0,0]=3 12360 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [0,2,0,0,0,0|1,0,0]=3 12361 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [0,2,0,0,0,0|1,0,0]=3 12362 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [0,2,0,0,0,0|1,0,0]=3 12363 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [0,2,0,0,0,0|1,0,0]=3 12364 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [0,2,0,0,0,0|1,0,0]=3 12365 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [0,2,0,0,0,0|1,0,0]=3 12366 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [0,2,0,0,0,0|1,0,0]=3 12367 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [0,2,0,0,0,0|1,0,0]=3 12368 B15R0.164 CC(=O)CCCOCCCCCNCCN 34a_103619048469_100000685027 [0,2,0,0,0,0|2,0,0]=4 12369 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [0,2,0,0,0,0|1,0,0]=3 12370 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [0,2,0,0,0,0|1,0,0]=3 12371 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [0,2,0,0,0,0|1,0,0]=3 12372 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [0,2,0,0,0,0|1,0,0]=3 12373 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [0,2,0,0,0,0|1,0,0]=3 12374 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [0,2,0,0,0,0|1,0,0]=3 12375 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [0,2,0,0,0,0|1,0,0]=3 12376 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [0,2,0,0,0,0|1,0,0]=3 12377 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [0,2,0,0,0,0|1,0,0]=3 12378 B15R0.164 CC(=O)NCCCCCCNCCCCF 2230a_200011996284_100000729493 [0,2,0,0,0,0|2,0,0]=4 12379 B15R0.164 CC(=O)NCCCCCCNCCCCF 34a_200011996284_100000729493 [0,2,0,0,0,0|2,0,0]=4 12380 B15R0.164 CC(=O)NCCCCCCNCCCCO 2230a_200011996284_100000210776 [0,2,0,0,0,0|2,0,0]=4 12381 B15R0.164 CC(=O)NCCCCCCNCCCCO 34a_200011996284_100011216708 [0,2,0,0,0,0|2,0,0]=4 12382 B15R0.164 CC(=O)NCCCCCNCCCCCF 2230a_200012022750_100000729378 [0,2,0,0,0,0|2,0,0]=4 12383 B15R0.164 CC(=O)NCCCCCNCCCCCF 34a_200012022750_100000729378 [0,2,0,0,0,0|2,0,0]=4 12384 B15R0.164 CC(=O)NCCCCCNCCCCCO 2230a_200012022750_100000746330 [0,2,0,0,0,0|2,0,0]=4 12385 B15R0.164 CC(=O)NCCCCCNCCCCCO 34a_200012022750_100000746330 [0,2,0,0,0,0|2,0,0]=4 12386 B15R0.164 CC(=O)NCCCCNCCCCCCF 2230a_200011368371_100015922095 [0,2,0,0,0,0|2,0,0]=4 12387 B15R0.164 CC(=O)NCCCCNCCCCCCF 34a_200011368371_100015922095 [0,2,0,0,0,0|2,0,0]=4 12388 B15R0.164 CC(=O)NCCCCNCCCCCCO 2230a_200011368371_100000766143 [0,2,0,0,0,0|2,0,0]=4 12389 B15R0.164 CC(=O)NCCCCNCCCCCCO 34a_200011368371_100000766143 [0,2,0,0,0,0|2,0,0]=4 12390 B15R0.164 CC(=O)NCCCNCCCCCCCO 34a_100000736810_100000760002 [0,2,0,0,0,0|2,0,0]=4 12391 B15R0.164 CC(=O)NCCCOCCCCCCCO 34a_100000752032_100000760002 [0,2,0,0,0,0|2,0,0]=4 12392 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_100000209853_100000033203 [0,2,0,0,0,0|2,0,0]=4 12393 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_102515433106_100000189650 [0,2,0,0,0,0|2,0,0]=4 12394 B15R0.164 CC(=O)NCCOCCCCCCCCBr 7a_100009813846_100000189650 [0,2,0,0,0,0|2,0,0]=4 12395 B15R0.164 CC(=O)NCCOCCCCCCCCCl 7a_100000033203_100000189650 [0,2,0,0,0,0|2,0,0]=4 12396 B15R0.164 CC(=O)NCCOCCCCCCCCO 34a_100000158858_100000033203 [0,2,0,0,0,0|2,0,0]=4 12397 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000033203_100000189650 [0,2,0,0,0,0|2,0,0]=4 12398 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000189650_100000033203 [0,2,0,0,0,0|2,0,0]=4 12399 B15R0.164 CC(=O)OCCCCCNCCCCCO 2230a_100000762737_100009813381 [0,2,0,0,0,0|2,0,0]=4 12400 B15R0.164 CC(=O)OCCCCCNCCCCCO 34a_100000762737_100000033007 [0,2,0,0,0,0|2,0,0]=4 12401 B15R0.164 CC(=O)OCCCCCOCCCCCBr 34a_100000746331_100000033007 [0,2,0,0,0,0|2,0,0]=4 12402 B15R0.164 CC(=O)OCCCCCOCCCCCBr 7a_100000746331_100000033007 [0,2,0,0,0,0|2,0,0]=4 12403 B15R0.164 CC(=O)OCCCCCOCCCCCCl 34a_100000746330_100000033007 [0,2,0,0,0,0|2,0,0]=4 12404 B15R0.164 CC(=O)OCCCCCOCCCCCCl 7a_100000746330_100000033007 [0,2,0,0,0,0|2,0,0]=4 12405 B15R0.164 CC(=O)OCCCCCOCCCCCI 34a_200012148887_100000033007 [0,2,0,0,0,0|2,0,0]=4 12406 B15R0.164 CC(=O)OCCCCCOCCCCCI 7a_200012148887_100000033007 [0,2,0,0,0,0|2,0,0]=4 12407 B15R0.164 CC(=O)OCCCCCOCCCCCN 34a_100000762737_100000033007 [0,2,0,0,0,0|2,0,0]=4 12408 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000033007_100000729378 [0,2,0,0,0,0|2,0,0]=4 12409 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000729378_100000033007 [0,2,0,0,0,0|2,0,0]=4 12410 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000033007_100000746330 [0,2,0,0,0,0|2,0,0]=4 12411 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000746330_100000033007 [0,2,0,0,0,0|2,0,0]=4 12412 B15R0.164 CC(=O)OCCCCNCCCCCCO 34a_100000686447_100000033659 [0,2,0,0,0,0|2,0,0]=4 12413 B15R0.164 CC(=O)OCCCCOCCCCCCBr 34a_100011215345_100000033659 [0,2,0,0,0,0|2,0,0]=4 12414 B15R0.164 CC(=O)OCCCCOCCCCCCBr 7a_100011215345_100000033659 [0,2,0,0,0,0|2,0,0]=4 12415 B15R0.164 CC(=O)OCCCCOCCCCCCCl 34a_100000766143_100000033659 [0,2,0,0,0,0|2,0,0]=4 12416 B15R0.164 CC(=O)OCCCCOCCCCCCCl 7a_100000766143_100000033659 [0,2,0,0,0,0|2,0,0]=4 12417 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000073216_100015922095 [0,2,0,0,0,0|2,0,0]=4 12418 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000732779_100000033659 [0,2,0,0,0,0|2,0,0]=4 12419 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000073216_100015922095 [0,2,0,0,0,0|2,0,0]=4 12420 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000732779_100000033659 [0,2,0,0,0,0|2,0,0]=4 12421 B15R0.164 CC(=O)OCCCCOCCCCCCN 34a_100000686447_100000033659 [0,2,0,0,0,0|2,0,0]=4 12422 B15R0.164 CC(=O)OCCCCOCCCCCCO 34a_100000073216_100000766143 [0,2,0,0,0,0|2,0,0]=4 12423 B15R0.164 CC(=O)OCCCCOCCCCCCO 7a_100000073216_100000766143 [0,2,0,0,0,0|2,0,0]=4 12424 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100000033659_100015922095 [0,2,0,0,0,0|2,0,0]=4 12425 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100015922095_100000033659 [0,2,0,0,0,0|2,0,0]=4 12426 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000033659_100000766143 [0,2,0,0,0,0|2,0,0]=4 12427 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000766143_100000033659 [0,2,0,0,0,0|2,0,0]=4 12428 B15R0.164 CC(=O)OCCCNCCCCCCCO 34a_100011996573_100000042594 [0,2,0,0,0,0|2,0,0]=4 12429 B15R0.164 CC(=O)OCCCOCCCCCCCBr 34a_100000760002_100000042594 [0,2,0,0,0,0|2,0,0]=4 12430 B15R0.164 CC(=O)OCCCOCCCCCCCBr 7a_100000760002_100000042594 [0,2,0,0,0,0|2,0,0]=4 12431 B15R0.164 CC(=O)OCCCOCCCCCCCN 34a_100011996573_100000042594 [0,2,0,0,0,0|2,0,0]=4 12432 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000042594_100000760002 [0,2,0,0,0,0|2,0,0]=4 12433 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000760002_100000042594 [0,2,0,0,0,0|2,0,0]=4 12434 B15R0.164 CC(=O)OCCNCCCCCCCCO 34a_102515433106_100009814007 [0,2,0,0,0,0|2,0,0]=4 12435 B15R0.164 CC(=O)OCCOCCCCCCCCBr 34a_100009813846_100009814007 [0,2,0,0,0,0|2,0,0]=4 12436 B15R0.164 CC(=O)OCCOCCCCCCCCBr 7a_100009813846_100009814007 [0,2,0,0,0,0|2,0,0]=4 12437 B15R0.164 CC(=O)OCCOCCCCCCCCCl 34a_100000033203_100009814007 [0,2,0,0,0,0|2,0,0]=4 12438 B15R0.164 CC(=O)OCCOCCCCCCCCCl 7a_100000033203_100009814007 [0,2,0,0,0,0|2,0,0]=4 12439 B15R0.164 CC(=O)OCCOCCCCCCCCN 34a_102515433106_100009814007 [0,2,0,0,0,0|2,0,0]=4 12440 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100000033203_100009814007 [0,2,0,0,0,0|2,0,0]=4 12441 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100009814007_100000033203 [0,2,0,0,0,0|2,0,0]=4 12442 B15R0.164 CC(=O)OCNCCCCCCCCCO 34a_100000078944_100009813279 [0,2,0,0,0,0|2,0,0]=4 12443 B15R0.164 CC(=O)OCOCCCCCCCCCBr 34a_100009813782_100009813279 [0,2,0,0,0,0|2,0,0]=4 12444 B15R0.164 CC(=O)OCOCCCCCCCCCCl 34a_100009868337_100009813279 [0,2,0,0,0,0|2,0,0]=4 12445 B15R0.164 CC(=O)OCOCCCCCCCCCN 34a_100000078944_100009813279 [0,2,0,0,0,0|2,0,0]=4 12446 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100000076356_100009813782 [0,2,0,0,0,0|2,0,0]=4 12447 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100009813782_100000076356 [0,2,0,0,0,0|2,0,0]=4 12448 B15R0.164 CC(=O)SCCCCNCCCCCCO 2230a_100000686447_200010402107 [0,2,0,0,0,0|2,0,0]=4 12449 B15R0.164 CC(=O)SCCCCNCCCCCCO 34a_100000686447_200010402107 [0,2,0,0,0,0|2,0,0]=4 12450 B15R0.164 CC(=O)SCCCCOCCCCCCBr 34a_100011215345_200010402107 [0,2,0,0,0,0|2,0,0]=4 12451 B15R0.164 CC(=O)SCCCCOCCCCCCBr 7a_100011215345_200010402107 [0,2,0,0,0,0|2,0,0]=4 12452 B15R0.164 CC(=O)SCCCCOCCCCCCCl 34a_100000766143_200010402107 [0,2,0,0,0,0|2,0,0]=4 12453 B15R0.164 CC(=O)SCCCCOCCCCCCCl 7a_100000766143_200010402107 [0,2,0,0,0,0|2,0,0]=4 12454 B15R0.164 CC(=O)SCCCCOCCCCCCF 34a_100000732779_200010402107 [0,2,0,0,0,0|2,0,0]=4 12455 B15R0.164 CC(=O)SCCCCOCCCCCCF 7a_100000732779_200010402107 [0,2,0,0,0,0|2,0,0]=4 12456 B15R0.164 CC(=O)SCCCCOCCCCCCN 34a_100000686447_200010402107 [0,2,0,0,0,0|2,0,0]=4 12457 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_100015922095_200010402107 [0,2,0,0,0,0|2,0,0]=4 12458 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_200010402107_100015922095 [0,2,0,0,0,0|2,0,0]=4 12459 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_100000766143_200010402107 [0,2,0,0,0,0|2,0,0]=4 12460 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_200010402107_100000766143 [0,2,0,0,0,0|2,0,0]=4 12461 B15R0.164 CC(=O)SCCCNCCCCCCCO 2230a_100011996573_100000038929 [0,2,0,0,0,0|2,0,0]=4 12462 B15R0.164 CC(=O)SCCCNCCCCCCCO 34a_100011996573_100000038929 [0,2,0,0,0,0|2,0,0]=4 12463 B15R0.164 CC(=O)SCCCOCCCCCCCBr 34a_100000760002_100000038929 [0,2,0,0,0,0|2,0,0]=4 12464 B15R0.164 CC(=O)SCCCOCCCCCCCBr 7a_100000760002_100000038929 [0,2,0,0,0,0|2,0,0]=4 12465 B15R0.164 CC(=O)SCCCOCCCCCCCN 34a_100011996573_100000038929 [0,2,0,0,0,0|2,0,0]=4 12466 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000038929_100000760002 [0,2,0,0,0,0|2,0,0]=4 12467 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000760002_100000038929 [0,2,0,0,0,0|2,0,0]=4 12468 B15R0.164 CC(O)CCCNCCCCCCCCO 2230a_102515433106_200000718107 [0,2,0,0,0,0|1,0,1]=4 12469 B15R0.164 CC(O)CCCNCCCCCCCCO 34a_102515433106_200000718107 [0,2,0,0,0,0|1,0,1]=4 12470 B15R0.164 CC(O)CCCOCCCCCCCCBr 34a_100009813846_200000718107 [0,2,0,0,0,0|1,0,1]=4 12471 B15R0.164 CC(O)CCCOCCCCCCCCBr 7a_100009813846_200000718107 [0,2,0,0,0,0|1,0,1]=4 12472 B15R0.164 CC(O)CCCOCCCCCCCCCl 34a_100000033203_200000718107 [0,2,0,0,0,0|1,0,1]=4 12473 B15R0.164 CC(O)CCCOCCCCCCCCCl 7a_100000033203_200000718107 [0,2,0,0,0,0|1,0,1]=4 12474 B15R0.164 CC(O)CCCOCCCCCCCCN 34a_102515433106_200000718107 [0,2,0,0,0,0|1,0,1]=4 12475 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_100000033203_200000718107 [0,2,0,0,0,0|1,0,1]=4 12476 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_200000718107_100000033203 [0,2,0,0,0,0|1,0,1]=4 12477 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_100000078944_100012276601 [0,2,0,0,0,0|1,0,1]=4 12478 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_200000755665_100009813782 [0,2,0,0,0,0|1,0,1]=4 12479 B15R0.164 CC(O)CCNCCCCCCCCCO 34a_100000078944_100012276601 [0,2,0,0,0,0|1,0,1]=4 12480 B15R0.164 CC(O)CCOCCCCCCCCCBr 34a_100009813782_100012276601 [0,2,0,0,0,0|1,0,1]=4 12481 B15R0.164 CC(O)CCOCCCCCCCCCBr 7a_100009813782_100012276601 [0,2,0,0,0,0|1,0,1]=4 12482 B15R0.164 CC(O)CCOCCCCCCCCCCl 34a_100009868337_100012276601 [0,2,0,0,0,0|1,0,1]=4 12483 B15R0.164 CC(O)CCOCCCCCCCCCCl 7a_100009868337_100012276601 [0,2,0,0,0,0|1,0,1]=4 12484 B15R0.164 CC(O)CCOCCCCCCCCCN 34a_100000078944_100012276601 [0,2,0,0,0,0|1,0,1]=4 12485 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100009813782_100012276601 [0,2,0,0,0,0|1,0,1]=4 12486 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100012276601_100009813782 [0,2,0,0,0,0|1,0,1]=4 12487 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000066964_100011218427 [0,2,0,0,0,0|1,0,1]=4 12488 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000210904_100009813290 [0,2,0,0,0,0|1,0,1]=4 12489 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000066964_100011218427 [0,2,0,0,0,0|1,0,1]=4 12490 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000210904_100009813290 [0,2,0,0,0,0|1,0,1]=4 12491 B15R0.164 CC(O)COCCCCCCCCCCBr 34a_100009813290_100011218427 [0,2,0,0,0,0|1,0,1]=4 12492 B15R0.164 CC(O)COCCCCCCCCCCBr 7a_100009813290_100011218427 [0,2,0,0,0,0|1,0,1]=4 12493 B15R0.164 CC(O)COCCCCCCCCCCCl 34a_200000033068_100011218427 [0,2,0,0,0,0|1,0,1]=4 12494 B15R0.164 CC(O)COCCCCCCCCCCCl 7a_200000033068_100011218427 [0,2,0,0,0,0|1,0,1]=4 12495 B15R0.164 CC(O)COCCCCCCCCCCN 34a_100000066964_100011218427 [0,2,0,0,0,0|1,0,1]=4 12496 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100009813290_100011218427 [0,2,0,0,0,0|1,0,1]=4 12497 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100011218427_200000033068 [0,2,0,0,0,0|1,0,1]=4 12498 B15R0.164 CC/C=C/CCCOCCCCCC(=O)N 34a_100016287902_100009817443 [0,2,0,0,0,0|1,0,1]=4 12499 B15R0.164 CC/C=C/CCCOCCCCCC(=O)N 7a_100016287902_100009817443 [0,2,0,0,0,0|1,0,1]=4 12500 B15R0.164 CC/C=C\CCCCCNCCCC(=O)N 269862a_100000739312_100016288537 [0,2,0,0,0,0|1,0,1]=4 12501 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 34a_100016268722_100000685027 [0,2,0,0,0,0|1,0,1]=4 12502 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 7a_100016268722_100011215641 [0,2,0,0,0,0|1,0,1]=4 12503 B15R0.164 CC/C=C\CCCCCOCCCC(=O)N 34a_100016268722_100102525003 [0,2,0,0,0,0|1,0,1]=4 12504 B15R0.164 CC/C=C\CCCCCOCCCC(=O)N 7a_100016268722_100102525003 [0,2,0,0,0,0|1,0,1]=4 12505 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 34a_100016287862_100009817362 [0,2,0,0,0,0|1,0,1]=4 12506 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 7a_100016287862_100000735457 [0,2,0,0,0,0|1,0,1]=4 12507 B15R0.164 CCC#CCCCCCCNOCC(=O)O 269956a_100000106656_200000036426 [0,2,0,0,0,0|0,0,2]=4 12508 B15R0.164 CCC#CCCCCCCOCCC(=O)C 34a_100000759926_200000036426 [0,2,0,0,0,0|1,0,1]=4 12509 B15R0.164 CCC#CCCCCCCOCCC(=O)C 7a_100000759926_200000036426 [0,2,0,0,0,0|1,0,1]=4 12510 B15R0.164 CCC#CCCCCCCOCCC(=O)N 34a_100000757172_200000036426 [0,2,0,0,0,0|1,0,1]=4 12511 B15R0.164 CCC#CCCCCCCOCCC(=O)N 7a_100000757172_200000036426 [0,2,0,0,0,0|1,0,1]=4 12512 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_100000053229_200000036426 [0,2,0,0,0,0|1,0,1]=4 12513 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_200000036426_100000053229 [0,2,0,0,0,0|1,0,1]=4 12514 B15R0.164 CCC#CCCCCCCSCCC(=O)N 62a_100000744528_200000036426 [0,2,0,0,0,0|1,0,1]=4 12515 B15R0.164 CCC#CCCCCCCSCCC(=O)N 62a_200000036426_100000744528 [0,2,0,0,0,0|1,0,1]=4 12516 B15R0.164 CCCC#CCCOCCCCCC(=O)N 34a_100000042726_100009817443 [0,2,0,0,0,0|1,0,1]=4 12517 B15R0.164 CCCC#CCCOCCCCCC(=O)N 7a_100000042726_100009817443 [0,2,0,0,0,0|1,0,1]=4 12518 B15R0.164 CCCC/C=C/CCCCOCCC(=O)C 7a_200020645093_100000053229 [0,2,0,0,0,0|1,0,1]=4 12519 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 34a_200020645093_100000731001 [0,2,0,0,0,0|1,0,1]=4 12520 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 7a_200020645093_100000744528 [0,2,0,0,0,0|1,0,1]=4 12521 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 34a_200016272032_100009817443 [0,2,0,0,0,0|1,0,1]=4 12522 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 7a_200016272032_100009817443 [0,2,0,0,0,0|1,0,1]=4 12523 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 34a_200016286491_100009817362 [0,2,0,0,0,0|1,0,1]=4 12524 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 7a_200016286491_100000735457 [0,2,0,0,0,0|1,0,1]=4 12525 B15R0.164 CCCCC#CCCCCOCCC(=O)C 7a_200000066234_100000053229 [0,2,0,0,0,0|1,0,1]=4 12526 B15R0.164 CCCCC#CCCCCOCCC(=O)N 34a_200000066234_100000731001 [0,2,0,0,0,0|1,0,1]=4 12527 B15R0.164 CCCCC#CCCCCOCCC(=O)N 7a_200000066234_100000744528 [0,2,0,0,0,0|1,0,1]=4 12528 B15R0.164 CCCCC#CCCCNCCCC(=O)N 34a_100000739312_200000047210 [0,2,0,0,0,0|1,0,1]=4 12529 B15R0.164 CCCCC#CCCCOCCCC(=O)C 34a_100000759063_200000047210 [0,2,0,0,0,0|1,0,1]=4 12530 B15R0.164 CCCCC#CCCCOCCCC(=O)C 7a_100000759063_200000047210 [0,2,0,0,0,0|1,0,1]=4 12531 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_100011215641_200000047210 [0,2,0,0,0,0|1,0,1]=4 12532 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_200000047210_100011215641 [0,2,0,0,0,0|1,0,1]=4 12533 B15R0.164 CCCCC#CCCCSCCCC(=O)N 62a_100102525003_200000047210 [0,2,0,0,0,0|1,0,1]=4 12534 B15R0.164 CCCCC#CCCCSCCCC(=O)N 62a_200000047210_100102525003 [0,2,0,0,0,0|1,0,1]=4 12535 B15R0.164 CCCCC#CCCOCCCCC(=O)C 34a_100000037610_100009817362 [0,2,0,0,0,0|1,0,1]=4 12536 B15R0.164 CCCCC#CCCOCCCCC(=O)C 7a_100000037610_100000735457 [0,2,0,0,0,0|1,0,1]=4 12537 B15R0.164 CCCCC#CCOCCCCCC(=O)N 34a_200000034558_100009817443 [0,2,0,0,0,0|1,0,1]=4 12538 B15R0.164 CCCCC#CCOCCCCCC(=O)N 7a_200000034558_100009817443 [0,2,0,0,0,0|1,0,1]=4 12539 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 34a_100016258190_100009817362 [0,2,0,0,0,0|1,0,1]=4 12540 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 7a_100016258190_100000735457 [0,2,0,0,0,0|1,0,1]=4 12541 B15R0.164 CCCCC/C=C\CCCOCCC(=O)C 7a_100020655193_100000053229 [0,2,0,0,0,0|1,0,1]=4 12542 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 34a_100020655193_100000731001 [0,2,0,0,0,0|1,0,1]=4 12543 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 7a_100020655193_100000744528 [0,2,0,0,0,0|1,0,1]=4 12544 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 34a_100016277358_100000685027 [0,2,0,0,0,0|1,0,1]=4 12545 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 7a_100016277358_100011215641 [0,2,0,0,0,0|1,0,1]=4 12546 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 34a_100016277358_100102525003 [0,2,0,0,0,0|1,0,1]=4 12547 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 7a_100016277358_100102525003 [0,2,0,0,0,0|1,0,1]=4 12548 B15R0.164 CCCCCC#CCCOCCCC(=O)C 34a_200000042877_100000685027 [0,2,0,0,0,0|1,0,1]=4 12549 B15R0.164 CCCCCC#CCCOCCCC(=O)C 7a_200000042877_100011215641 [0,2,0,0,0,0|1,0,1]=4 12550 B15R0.164 CCCCCC#CCCOCCCC(=O)N 34a_200000042877_100102525003 [0,2,0,0,0,0|1,0,1]=4 12551 B15R0.164 CCCCCC#CCCOCCCC(=O)N 7a_200000042877_100102525003 [0,2,0,0,0,0|1,0,1]=4 12552 B15R0.164 CCCCCC#CCNCCCCC(=O)N 34a_100000696515_100009816472 [0,2,0,0,0,0|1,0,1]=4 12553 B15R0.164 CCCCCC#CCNCCOCC(=O)O 269956a_100000700818_100009816472 [0,2,0,0,0,0|0,0,2]=4 12554 B15R0.164 CCCCCC#CCOCCCCC(=O)C 34a_200000033628_100009817362 [0,2,0,0,0,0|1,0,1]=4 12555 B15R0.164 CCCCCC#CCOCCCCC(=O)C 7a_200000033628_100000735457 [0,2,0,0,0,0|1,0,1]=4 12556 B15R0.164 CCCCCC#CCOCCCCC(=O)N 34a_100012022536_100009816472 [0,2,0,0,0,0|1,0,1]=4 12557 B15R0.164 CCCCCC#CCOCCCCC(=O)N 7a_100012022536_100009816472 [0,2,0,0,0,0|1,0,1]=4 12558 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100000735457_100009816472 [0,2,0,0,0,0|1,0,1]=4 12559 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100009816472_100000735457 [0,2,0,0,0,0|1,0,1]=4 12560 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 34a_200016276170_100000685027 [0,2,0,0,0,0|1,0,1]=4 12561 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 7a_200016276170_100011215641 [0,2,0,0,0,0|1,0,1]=4 12562 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 34a_200016276170_100102525003 [0,2,0,0,0,0|1,0,1]=4 12563 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 7a_200016276170_100102525003 [0,2,0,0,0,0|1,0,1]=4 12564 B15R0.164 CCCCCCC#CCCOCCC(=O)C 7a_200000033163_100000053229 [0,2,0,0,0,0|1,0,1]=4 12565 B15R0.164 CCCCCCC#CCCOCCC(=O)N 34a_200000033163_100000731001 [0,2,0,0,0,0|1,0,1]=4 12566 B15R0.164 CCCCCCC#CCCOCCC(=O)N 7a_200000033163_100000744528 [0,2,0,0,0,0|1,0,1]=4 12567 B15R0.164 CCCCCCC#CCOCCCC(=O)C 34a_200000037284_100000685027 [0,2,0,0,0,0|1,0,1]=4 12568 B15R0.164 CCCCCCC#CCOCCCC(=O)C 7a_200000037284_100011215641 [0,2,0,0,0,0|1,0,1]=4 12569 B15R0.164 CCCCCCC#CCOCCCC(=O)N 34a_200000037284_100102525003 [0,2,0,0,0,0|1,0,1]=4 12570 B15R0.164 CCCCCCC#CCOCCCC(=O)N 7a_200000037284_100102525003 [0,2,0,0,0,0|1,0,1]=4 12571 B15R0.164 CCCCCCCC#CCOCCC(=O)C 7a_200000061759_100000053229 [0,2,0,0,0,0|1,0,1]=4 12572 B15R0.164 CCCCCCCC#CCOCCC(=O)N 34a_200000061759_100000731001 [0,2,0,0,0,0|1,0,1]=4 12573 B15R0.164 CCCCCCCC#CCOCCC(=O)N 7a_200000061759_100000744528 [0,2,0,0,0,0|1,0,1]=4 12574 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 34a_200020667288_100000187820 [0,2,0,0,0,0|1,0,1]=4 12575 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 7a_200020667288_100000187820 [0,2,0,0,0,0|1,0,1]=4 12576 B15R0.164 CCCCCCCC/C=C/COCC(=O)[O-] 34a_200020667288_100020667443 [0,2,0,0,0,0|0,0,2]=4 12577 B15R0.164 CCCCCCCCCCC=NNC(=O)C 4a_100000189765_100011218819 [0,2,0,0,0,0|1,0,1]=4 12578 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [0,2,0,0,0,0|1,0,0]=3 12579 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [0,2,0,0,0,0|1,0,0]=3 12580 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [0,2,0,0,0,0|1,0,0]=3 12581 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [0,2,0,0,0,0|1,0,0]=3 12582 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [0,2,0,0,0,0|1,0,0]=3 12583 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [0,2,0,0,0,0|1,0,0]=3 12584 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [0,2,0,0,0,0|1,0,0]=3 12585 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [0,2,0,0,0,0|0,0,0]=2 12586 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [0,2,0,0,0,0|0,0,1]=3 12587 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [0,2,0,0,0,0|1,0,1]=4 12588 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [0,2,0,0,0,0|1,0,1]=4 12589 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [0,2,0,0,0,0|1,0,1]=4 12590 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [0,2,0,0,0,0|1,0,1]=4 12591 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [0,2,0,0,0,0|1,0,1]=4 12592 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [0,2,0,0,0,0|1,0,1]=4 12593 B15R0.164 CCCCCCCCCCCNC[N+](=O)[O-] 34a_200011215754_100000761209 [0,2,0,0,0,0|1,0,1]=4 12594 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [0,2,0,0,0,0|1,0,0]=3 12595 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [0,2,0,0,0,0|1,0,0]=3 12596 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [0,2,0,0,0,0|1,0,0]=3 12597 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [0,2,0,0,0,0|0,0,1]=3 12598 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [0,2,0,0,0,0|1,0,1]=4 12599 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [0,2,0,0,0,0|1,0,1]=4 12600 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [0,2,0,0,0,0|1,0,1]=4 12601 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [0,2,0,0,0,0|1,0,1]=4 12602 B15R0.164 CCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210809_100000761209 [0,2,0,0,0,0|1,0,1]=4 12603 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [0,2,0,0,0,0|1,0,0]=3 12604 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [0,2,0,0,0,0|0,0,1]=3 12605 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [0,2,0,0,0,0|1,0,1]=4 12606 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [0,2,0,0,0,0|1,0,1]=4 12607 B15R0.164 CCCCCCCCCCNCC=C(C)C 2230a_100000684558_100000761012 [0,2,0,0,0,0|2,0,0]=4 12608 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000684558_100000761012 [0,2,0,0,0,0|2,0,0]=4 12609 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000718196_100000210320 [0,2,0,0,0,0|2,0,0]=4 12610 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [0,2,0,0,0,0|1,0,0]=3 12611 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [0,2,0,0,0,0|1,0,0]=3 12612 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [0,2,0,0,0,0|1,0,1]=4 12613 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [0,2,0,0,0,0|1,0,1]=4 12614 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [0,2,0,0,0,0|1,0,1]=4 12615 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [0,2,0,0,0,0|1,0,0]=3 12616 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [0,2,0,0,0,0|0,0,0]=2 12617 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [0,2,0,0,0,0|1,0,0]=3 12618 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [0,2,0,0,0,0|1,0,0]=3 12619 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [0,2,0,0,0,0|1,0,0]=3 12620 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [0,2,0,0,0,0|1,0,0]=3 12621 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [0,2,0,0,0,0|1,0,0]=3 12622 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [0,2,0,0,0,0|1,0,0]=3 12623 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [0,2,0,0,0,0|1,0,0]=3 12624 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [0,2,0,0,0,0|1,0,1]=4 12625 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [0,2,0,0,0,0|1,0,1]=4 12626 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [0,2,0,0,0,0|1,0,0]=3 12627 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [0,2,0,0,0,0|1,0,0]=3 12628 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [0,2,0,0,0,0|1,0,0]=3 12629 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [0,2,0,0,0,0|1,0,1]=4 12630 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [0,2,0,0,0,0|1,0,0]=3 12631 B15R0.164 CCCCCCCCCNCCC=C(C)C 2230a_100000212291_100011217483 [0,2,0,0,0,0|2,0,0]=4 12632 B15R0.164 CCCCCCCCCNCCC=C(C)C 34a_100000212291_100011217483 [0,2,0,0,0,0|2,0,0]=4 12633 B15R0.164 CCCCCCCCCNCCC=C(F)F 2230a_100000212291_200009816681 [0,2,0,0,0,0|2,0,0]=4 12634 B15R0.164 CCCCCCCCCNCCC=C(F)F 34a_100000212291_200009816681 [0,2,0,0,0,0|2,0,0]=4 12635 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [0,2,0,0,0,0|1,0,0]=3 12636 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [0,2,0,0,0,0|1,0,0]=3 12637 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [0,2,0,0,0,0|1,0,0]=3 12638 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [0,2,0,0,0,0|1,0,1]=4 12639 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [0,2,0,0,0,0|1,0,1]=4 12640 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [0,2,0,0,0,0|2,0,0]=4 12641 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [0,2,0,0,0,0|1,0,0]=3 12642 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [0,2,0,0,0,0|1,0,0]=3 12643 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [0,2,0,0,0,0|1,0,0]=3 12644 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [0,2,0,0,0,0|1,0,0]=3 12645 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [0,2,0,0,0,0|1,0,0]=3 12646 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [0,2,0,0,0,0|1,0,0]=3 12647 B15R0.164 CCCCCCCCCOCCC=C(F)F 34a_100000210712_200009816681 [0,2,0,0,0,0|2,0,0]=4 12648 B15R0.164 CCCCCCCCCOCCC=C(F)F 7a_100000210712_200009816681 [0,2,0,0,0,0|2,0,0]=4 12649 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [0,2,0,0,0,0|1,0,0]=3 12650 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [0,2,0,0,0,0|1,0,0]=3 12651 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [0,2,0,0,0,0|1,0,0]=3 12652 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [0,2,0,0,0,0|1,0,0]=3 12653 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [0,2,0,0,0,0|1,0,0]=3 12654 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [0,2,0,0,0,0|1,0,0]=3 12655 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [0,2,0,0,0,0|1,0,1]=4 12656 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [0,2,0,0,0,0|1,0,1]=4 12657 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [0,2,0,0,0,0|1,0,1]=4 12658 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [0,2,0,0,0,0|1,0,0]=3 12659 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [0,2,0,0,0,0|1,0,0]=3 12660 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [0,2,0,0,0,0|1,0,0]=3 12661 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [0,2,0,0,0,0|1,0,0]=3 12662 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [0,2,0,0,0,0|1,0,0]=3 12663 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [0,2,0,0,0,0|1,0,0]=3 12664 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [0,2,0,0,0,0|1,0,0]=3 12665 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [0,2,0,0,0,0|1,0,0]=3 12666 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [0,2,0,0,0,0|1,0,0]=3 12667 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [0,2,0,0,0,0|1,0,0]=3 12668 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [0,2,0,0,0,0|1,0,0]=3 12669 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [0,2,0,0,0,0|1,0,1]=4 12670 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [0,2,0,0,0,0|1,0,0]=3 12671 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [0,2,0,0,0,0|1,0,0]=3 12672 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [0,2,0,0,0,0|1,0,0]=3 12673 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [0,2,0,0,0,0|1,0,0]=3 12674 B15R0.164 CCCCCCCCNCCCCB(O)O 2230a_100000229939_200009817182 [0,2,0,0,0,0|1,0,1]=4 12675 B15R0.164 CCCCCCCCNCCCCB(O)O 34a_100000229939_200009817182 [0,2,0,0,0,0|1,0,1]=4 12676 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [0,2,0,0,0,0|1,0,0]=3 12677 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [0,2,0,0,0,0|1,0,0]=3 12678 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [0,2,0,0,0,0|1,0,0]=3 12679 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [0,2,0,0,0,0|1,0,0]=3 12680 B15R0.164 CCCCCCCCNCCCOC(=S)C 2230a_100000229939_200135323944 [0,2,0,0,0,0|1,1,0]=4 12681 B15R0.164 CCCCCCCCNCCCOC(=S)C 34a_100000229939_200135323944 [0,2,0,0,0,0|1,1,0]=4 12682 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [0,2,0,0,0,0|1,0,0]=3 12683 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [0,2,0,0,0,0|1,0,0]=3 12684 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [0,2,0,0,0,0|1,0,0]=3 12685 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [0,2,0,0,0,0|1,0,0]=3 12686 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [0,2,0,0,0,0|0,0,0]=2 12687 B15R0.164 CCCCCCCCOCCCCB(O)O 34a_100000210232_200009817182 [0,2,0,0,0,0|1,0,1]=4 12688 B15R0.164 CCCCCCCCOCCCCB(O)O 7a_100000210232_200009817182 [0,2,0,0,0,0|1,0,1]=4 12689 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [0,2,0,0,0,0|1,0,0]=3 12690 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [0,2,0,0,0,0|1,0,0]=3 12691 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [0,2,0,0,0,0|1,0,0]=3 12692 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [0,2,0,0,0,0|1,0,0]=3 12693 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210759 [0,2,0,0,0,0|1,0,1]=4 12694 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210759 [0,2,0,0,0,0|1,0,1]=4 12695 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [0,2,0,0,0,0|1,0,0]=3 12696 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [0,2,0,0,0,0|1,0,0]=3 12697 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [0,2,0,0,0,0|1,0,0]=3 12698 B15R0.164 CCCCCCCCOCCCOC(=S)C 34a_100000210232_200135323944 [0,2,0,0,0,0|1,1,0]=4 12699 B15R0.164 CCCCCCCCOCCCOC(=S)C 7a_100000210232_200135323944 [0,2,0,0,0,0|1,1,0]=4 12700 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [0,2,0,0,0,0|1,0,0]=3 12701 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [0,2,0,0,0,0|1,0,0]=3 12702 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [0,2,0,0,0,0|1,0,0]=3 12703 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [0,2,0,0,0,0|1,0,0]=3 12704 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_100000210759_200009817182 [0,2,0,0,0,0|1,0,1]=4 12705 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_200009817182_100000210317 [0,2,0,0,0,0|1,0,1]=4 12706 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [0,2,0,0,0,0|1,0,0]=3 12707 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [0,2,0,0,0,0|1,0,0]=3 12708 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [0,2,0,0,0,0|1,0,0]=3 12709 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [0,2,0,0,0,0|1,0,0]=3 12710 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_100000210759_200135323944 [0,2,0,0,0,0|1,1,0]=4 12711 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210317 [0,2,0,0,0,0|1,1,0]=4 12712 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [0,2,0,0,0,0|1,0,0]=3 12713 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [0,2,0,0,0,0|1,0,0]=3 12714 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [0,2,0,0,0,0|1,0,0]=3 12715 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [0,2,0,0,0,0|1,0,0]=3 12716 B15R0.164 CCCCCCCNCCCCCB(O)O 2230a_100000229938_200009817188 [0,2,0,0,0,0|1,0,1]=4 12717 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [0,2,0,0,0,0|1,0,0]=3 12718 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [0,2,0,0,0,0|1,0,0]=3 12719 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [0,2,0,0,0,0|1,0,0]=3 12720 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [0,2,0,0,0,0|1,0,0]=3 12721 B15R0.164 CCCCCCCOCCCCCB(O)O 34a_100000210272_200009817188 [0,2,0,0,0,0|1,0,1]=4 12722 B15R0.164 CCCCCCCOCCCCCB(O)O 7a_100000210272_200009817188 [0,2,0,0,0,0|1,0,1]=4 12723 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [0,2,0,0,0,0|1,0,0]=3 12724 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [0,2,0,0,0,0|1,0,0]=3 12725 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [0,2,0,0,0,0|1,0,0]=3 12726 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [0,2,0,0,0,0|1,0,0]=3 12727 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [0,2,0,0,0,0|0,0,1]=3 12728 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [0,2,0,0,0,0|1,0,0]=3 12729 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [0,2,0,0,0,0|1,0,0]=3 12730 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [0,2,0,0,0,0|1,0,0]=3 12731 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [0,2,0,0,0,0|1,0,0]=3 12732 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210272_100015694321 [0,2,0,0,0,0|1,0,1]=4 12733 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210272_100015694321 [0,2,0,0,0,0|1,0,1]=4 12734 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [0,2,0,0,0,0|1,0,0]=3 12735 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [0,2,0,0,0,0|1,0,0]=3 12736 B15R0.164 CCCCCCCOCOCCOC(=O)C 34a_100000210272_100000076355 [0,2,0,0,0,0|2,0,0]=4 12737 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_100000210614_200009817188 [0,2,0,0,0,0|1,0,1]=4 12738 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_200009817188_100000210316 [0,2,0,0,0,0|1,0,1]=4 12739 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [0,2,0,0,0,0|1,0,0]=3 12740 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [0,2,0,0,0,0|1,0,0]=3 12741 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [0,2,0,0,0,0|1,0,0]=3 12742 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [0,2,0,0,0,0|1,0,0]=3 12743 B15R0.164 CCCCCCCSCCCCO[N+](=O)[O-] 62a_100000210614_100015694321 [0,2,0,0,0,0|1,0,1]=4 12744 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [0,2,0,0,0,0|1,0,0]=3 12745 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [0,2,0,0,0,0|1,0,0]=3 12746 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210316 [0,2,0,0,0,0|2,0,0]=4 12747 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000210614_100000076355 [0,2,0,0,0,0|2,0,0]=4 12748 B15R0.164 CCCCCCNCCCCCCB(O)O 2230a_100000210581_100009817187 [0,2,0,0,0,0|1,0,1]=4 12749 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [0,2,0,0,0,0|1,0,0]=3 12750 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [0,2,0,0,0,0|1,0,0]=3 12751 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [0,2,0,0,0,0|1,0,0]=3 12752 B15R0.164 CCCCCCNCCOCCOC(=O)C 2230a_100000210581_200000083610 [0,2,0,0,0,0|2,0,0]=4 12753 B15R0.164 CCCCCCOCCCCCCB(O)O 34a_100000210259_100009817187 [0,2,0,0,0,0|1,0,1]=4 12754 B15R0.164 CCCCCCOCCCCCCB(O)O 7a_100000210259_100009817187 [0,2,0,0,0,0|1,0,1]=4 12755 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [0,2,0,0,0,0|1,0,0]=3 12756 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [0,2,0,0,0,0|1,0,0]=3 12757 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [0,2,0,0,0,0|1,0,0]=3 12758 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [0,2,0,0,0,0|1,0,0]=3 12759 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [0,2,0,0,0,0|1,0,0]=3 12760 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [0,2,0,0,0,0|1,0,0]=3 12761 B15R0.164 CCCCCCOCCOCCCC(C)O 34a_100000691444_200000718107 [0,2,0,0,0,0|1,0,1]=4 12762 B15R0.164 CCCCCCOCCOCCCC(C)O 7a_100000691444_200000718107 [0,2,0,0,0,0|1,0,1]=4 12763 B15R0.164 CCCCCCOCCOCCNC(=O)C 7a_100000691444_100000189650 [0,2,0,0,0,0|2,0,0]=4 12764 B15R0.164 CCCCCCOCCOCCNC(=O)N 7a_100000691444_200000034859 [0,2,0,0,0,0|2,0,0]=4 12765 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000210259_200000083610 [0,2,0,0,0,0|2,0,0]=4 12766 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000691444_100009814007 [0,2,0,0,0,0|2,0,0]=4 12767 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000210259_200000083610 [0,2,0,0,0,0|2,0,0]=4 12768 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000691444_100009814007 [0,2,0,0,0,0|2,0,0]=4 12769 B15R0.164 CCCCCCOCCOCCOC(=O)N 34a_100000691444_200011214921 [0,2,0,0,0,0|2,0,0]=4 12770 B15R0.164 CCCCCCOCCOCCOC(=O)N 7a_100000691444_200011214921 [0,2,0,0,0,0|2,0,0]=4 12771 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100000210314_100009817187 [0,2,0,0,0,0|1,0,1]=4 12772 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100009817187_100000210757 [0,2,0,0,0,0|1,0,1]=4 12773 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [0,2,0,0,0,0|1,0,0]=3 12774 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [0,2,0,0,0,0|1,0,0]=3 12775 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_100000210314_200000083610 [0,2,0,0,0,0|2,0,0]=4 12776 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210757 [0,2,0,0,0,0|2,0,0]=4 12777 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [0,2,0,0,0,0|1,0,0]=3 12778 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [0,2,0,0,0,0|1,0,0]=3 12779 B15R0.164 CCCCCNCCOCCCCB(O)O 34a_100000224656_200009817182 [0,2,0,0,0,0|1,0,1]=4 12780 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [0,2,0,0,0,0|1,0,0]=3 12781 B15R0.164 CCCCCNCCOCCCOC(=O)C 34a_100000224656_100000042594 [0,2,0,0,0,0|2,0,0]=4 12782 B15R0.164 CCCCCNCCOCCCSC(=O)C 34a_100000224656_100000038929 [0,2,0,0,0,0|2,0,0]=4 12783 B15R0.164 CCCCCNCCOCCOCC(=O)N 34a_100000224656_100000076697 [0,2,0,0,0,0|2,0,0]=4 12784 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [0,2,0,0,0,0|1,0,0]=3 12785 B15R0.164 CCCCCOCCOCCCCB(O)O 34a_100011215259_200009817182 [0,2,0,0,0,0|1,0,1]=4 12786 B15R0.164 CCCCCOCCOCCCCB(O)O 7a_100011215259_200009817182 [0,2,0,0,0,0|1,0,1]=4 12787 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [0,2,0,0,0,0|1,0,0]=3 12788 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [0,2,0,0,0,0|1,0,0]=3 12789 B15R0.164 CCCCCOCCOCCCOC(=O)C 34a_100011215259_100000042594 [0,2,0,0,0,0|2,0,0]=4 12790 B15R0.164 CCCCCOCCOCCCOC(=O)C 7a_100011215259_100000042594 [0,2,0,0,0,0|2,0,0]=4 12791 B15R0.164 CCCCCOCCOCCCSC(=O)C 34a_100011215259_100000038929 [0,2,0,0,0,0|2,0,0]=4 12792 B15R0.164 CCCCCOCCOCCCSC(=O)C 7a_100011215259_100000038929 [0,2,0,0,0,0|2,0,0]=4 12793 B15R0.164 CCCCCOCCOCCOCC(=O)N 34a_100011215259_100000076697 [0,2,0,0,0,0|2,0,0]=4 12794 B15R0.164 CCCCCOCCOCCOCC(=O)N 7a_100011215259_100000076697 [0,2,0,0,0,0|2,0,0]=4 12795 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [0,2,0,0,0,0|1,0,0]=3 12796 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [0,2,0,0,0,0|1,0,0]=3 12797 B15R0.164 CCCCNCCCCOCCCC(C)O 34a_200011216965_200000718107 [0,2,0,0,0,0|1,0,1]=4 12798 B15R0.164 CCCCNCCCCOCCOC(=O)C 34a_200011216965_100009814007 [0,2,0,0,0,0|2,0,0]=4 12799 B15R0.164 CCCCNCCCCOCCOC(=O)N 34a_200011216965_200011214921 [0,2,0,0,0,0|2,0,0]=4 12800 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [0,2,0,0,0,0|1,0,0]=3 12801 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [0,2,0,0,0,0|1,0,0]=3 12802 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [0,2,0,0,0,0|1,0,0]=3 12803 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [0,2,0,0,0,0|1,0,0]=3 12804 B15R0.164 CCCCOCCCCOCCCC(C)O 34a_200000760531_200000718107 [0,2,0,0,0,0|1,0,1]=4 12805 B15R0.164 CCCCOCCCCOCCCC(C)O 7a_200000760531_200000718107 [0,2,0,0,0,0|1,0,1]=4 12806 B15R0.164 CCCCOCCCCOCCNC(=O)C 7a_200000760531_100000189650 [0,2,0,0,0,0|2,0,0]=4 12807 B15R0.164 CCCCOCCCCOCCNC(=O)N 7a_200000760531_200000034859 [0,2,0,0,0,0|2,0,0]=4 12808 B15R0.164 CCCCOCCCCOCCOC(=O)C 34a_200000760531_100009814007 [0,2,0,0,0,0|2,0,0]=4 12809 B15R0.164 CCCCOCCCCOCCOC(=O)C 7a_200000760531_100009814007 [0,2,0,0,0,0|2,0,0]=4 12810 B15R0.164 CCCCOCCCCOCCOC(=O)N 34a_200000760531_200011214921 [0,2,0,0,0,0|2,0,0]=4 12811 B15R0.164 CCCCOCCCCOCCOC(=O)N 7a_200000760531_200011214921 [0,2,0,0,0,0|2,0,0]=4 12812 B15R0.164 CCCCOCCCNCCCCB(O)O 2230a_200000211371_200009817182 [0,2,0,0,0,0|1,0,1]=4 12813 B15R0.164 CCCCOCCCNCCCCB(O)O 34a_200000211371_200009817182 [0,2,0,0,0,0|1,0,1]=4 12814 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [0,2,0,0,0,0|1,0,0]=3 12815 B15R0.164 CCCCOCCCNCCCOC(=O)C 34a_200000211371_100000042594 [0,2,0,0,0,0|2,0,0]=4 12816 B15R0.164 CCCCOCCCNCCCSC(=O)C 2230a_200000211371_100000038929 [0,2,0,0,0,0|2,0,0]=4 12817 B15R0.164 CCCCOCCCNCCCSC(=O)C 34a_200000211371_100000038929 [0,2,0,0,0,0|2,0,0]=4 12818 B15R0.164 CCCCOCCCNCCOCC(=O)N 2230a_200000211371_100000076697 [0,2,0,0,0,0|2,0,0]=4 12819 B15R0.164 CCCCOCCCNCCOCC(=O)N 34a_200000211371_100000076697 [0,2,0,0,0,0|2,0,0]=4 12820 B15R0.164 CCCCOCCCOCCCCB(O)O 34a_200011215613_200009817182 [0,2,0,0,0,0|1,0,1]=4 12821 B15R0.164 CCCCOCCCOCCCCB(O)O 7a_200011215613_200009817182 [0,2,0,0,0,0|1,0,1]=4 12822 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [0,2,0,0,0,0|1,0,0]=3 12823 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [0,2,0,0,0,0|1,0,0]=3 12824 B15R0.164 CCCCOCCCOCCCOC(=O)C 34a_200011215613_100000042594 [0,2,0,0,0,0|2,0,0]=4 12825 B15R0.164 CCCCOCCCOCCCOC(=O)C 7a_200011215613_100000042594 [0,2,0,0,0,0|2,0,0]=4 12826 B15R0.164 CCCCOCCCOCCCSC(=O)C 34a_200011215613_100000038929 [0,2,0,0,0,0|2,0,0]=4 12827 B15R0.164 CCCCOCCCOCCCSC(=O)C 7a_200011215613_100000038929 [0,2,0,0,0,0|2,0,0]=4 12828 B15R0.164 CCCCOCCCOCCOCC(=O)N 34a_200011215613_100000076697 [0,2,0,0,0,0|2,0,0]=4 12829 B15R0.164 CCCCOCCCOCCOCC(=O)N 7a_200011215613_100000076697 [0,2,0,0,0,0|2,0,0]=4 12830 B15R0.164 CCCCOCCNCCCCNC(=O)C 2230a_200011368371_100000743108 [0,2,0,0,0,0|2,0,0]=4 12831 B15R0.164 CCCCOCCNCCCCNC(=O)C 34a_200011368371_100000743108 [0,2,0,0,0,0|2,0,0]=4 12832 B15R0.164 CCCCOCCOCCCCCB(O)O 34a_100000210238_200009817188 [0,2,0,0,0,0|1,0,1]=4 12833 B15R0.164 CCCCOCCOCCCCCB(O)O 7a_100000210238_200009817188 [0,2,0,0,0,0|1,0,1]=4 12834 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000123541_100000743108 [0,2,0,0,0,0|1,0,0]=3 12835 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000210238_100009817443 [0,2,0,0,0,0|1,0,0]=3 12836 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000123541_100000743108 [0,2,0,0,0,0|1,0,0]=3 12837 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000210238_100009817443 [0,2,0,0,0,0|1,0,0]=3 12838 B15R0.164 CCCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000743108 [0,2,0,0,0,0|0,0,1]=3 12839 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000073216_100000743108 [0,2,0,0,0,0|2,0,0]=4 12840 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000210238_100000033659 [0,2,0,0,0,0|2,0,0]=4 12841 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000073216_100000743108 [0,2,0,0,0,0|2,0,0]=4 12842 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000210238_100000033659 [0,2,0,0,0,0|2,0,0]=4 12843 B15R0.164 CCCCOCCOCCCCSC(=O)C 34a_100000210238_200010402107 [0,2,0,0,0,0|2,0,0]=4 12844 B15R0.164 CCCCOCCOCCCCSC(=O)C 7a_100000210238_200010402107 [0,2,0,0,0,0|2,0,0]=4 12845 B15R0.164 CCCCOCCOCCOCCC(=O)C 7a_100011215186_100000053229 [0,2,0,0,0,0|2,0,0]=4 12846 B15R0.164 CCCCOCCOCCOCCC(=O)N 34a_100011215186_100000731001 [0,2,0,0,0,0|2,0,0]=4 12847 B15R0.164 CCCCOCCOCCOCCC(=O)N 7a_100011215186_100000744528 [0,2,0,0,0,0|2,0,0]=4 12848 B15R0.164 CCCCOCCSCCCCCB(O)O 62a_100000743108_200009817188 [0,2,0,0,0,0|1,0,1]=4 12849 B15R0.164 CCCCOCCSCCCCCB(O)O 62a_200009817188_100000743108 [0,2,0,0,0,0|1,0,1]=4 12850 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100000743108_100009817443 [0,2,0,0,0,0|1,0,0]=3 12851 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100009817443_100000743108 [0,2,0,0,0,0|1,0,0]=3 12852 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000033659_100000743108 [0,2,0,0,0,0|2,0,0]=4 12853 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000743108_100000033659 [0,2,0,0,0,0|2,0,0]=4 12854 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_100000743108_200010402107 [0,2,0,0,0,0|2,0,0]=4 12855 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_200010402107_100000743108 [0,2,0,0,0,0|2,0,0]=4 12856 B15R0.164 CCCCOCNCCCCCNC(=O)C 2230a_200012022750_100011995733 [0,2,0,0,0,0|2,0,0]=4 12857 B15R0.164 CCCCOCNCCCCCNC(=O)C 34a_200012022750_100011995733 [0,2,0,0,0,0|2,0,0]=4 12858 B15R0.164 CCCCOCSCCCCCCB(O)O 62a_100009817187_100011995733 [0,2,0,0,0,0|1,0,1]=4 12859 B15R0.164 CCCCOCSCCCCCCB(O)O 62a_100011995733_100009817187 [0,2,0,0,0,0|1,0,1]=4 12860 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100000033007_100011995733 [0,2,0,0,0,0|2,0,0]=4 12861 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100011995733_100000033007 [0,2,0,0,0,0|2,0,0]=4 12862 B15R0.164 CCCCSCCNCCCCCB(O)O 2230a_100025743550_200009817188 [0,2,0,0,0,0|1,0,1]=4 12863 B15R0.164 CCCCSCCNCCCCCC(=O)N 2230a_100025743550_100009817443 [0,2,0,0,0,0|1,0,0]=3 12864 B15R0.164 CCCCSCCNCCCCSC(=O)C 2230a_100025743550_200010402107 [0,2,0,0,0,0|2,0,0]=4 12865 B15R0.164 CCCCSCCOCCCCCB(O)O 34a_200000230436_200009817188 [0,2,0,0,0,0|1,0,1]=4 12866 B15R0.164 CCCCSCCOCCCCCB(O)O 7a_200000230436_200009817188 [0,2,0,0,0,0|1,0,1]=4 12867 B15R0.164 CCCCSCCOCCCCCC(=O)N 34a_200000230436_100009817443 [0,2,0,0,0,0|1,0,0]=3 12868 B15R0.164 CCCCSCCOCCCCCC(=O)N 7a_200000230436_100009817443 [0,2,0,0,0,0|1,0,0]=3 12869 B15R0.164 CCCCSCCOCCCCOC(=O)C 34a_200000230436_100000033659 [0,2,0,0,0,0|2,0,0]=4 12870 B15R0.164 CCCCSCCOCCCCOC(=O)C 7a_200000230436_100000033659 [0,2,0,0,0,0|2,0,0]=4 12871 B15R0.164 CCCCSCCOCCCCSC(=O)C 34a_200000230436_200010402107 [0,2,0,0,0,0|2,0,0]=4 12872 B15R0.164 CCCCSCCOCCCCSC(=O)C 7a_200000230436_200010402107 [0,2,0,0,0,0|2,0,0]=4 12873 B15R0.164 CCCOCCCNCCCCCB(O)O 2230a_100011217757_200009817188 [0,2,0,0,0,0|1,0,1]=4 12874 B15R0.164 CCCOCCCNCCCCCB(O)O 34a_100011217757_200009817188 [0,2,0,0,0,0|1,0,1]=4 12875 B15R0.164 CCCOCCCNCCCCCC(=O)N 2230a_100011217757_100009817443 [0,2,0,0,0,0|1,0,0]=3 12876 B15R0.164 CCCOCCCNCCCCCC(=O)N 34a_100011217757_100009817443 [0,2,0,0,0,0|1,0,0]=3 12877 B15R0.164 CCCOCCCNCCCCOC(=O)C 34a_100011217757_100000033659 [0,2,0,0,0,0|2,0,0]=4 12878 B15R0.164 CCCOCCCNCCCCSC(=O)C 2230a_100011217757_200010402107 [0,2,0,0,0,0|2,0,0]=4 12879 B15R0.164 CCCOCCCNCCCCSC(=O)C 34a_100011217757_200010402107 [0,2,0,0,0,0|2,0,0]=4 12880 B15R0.164 CCCOCCNCCCCCCB(O)O 2230a_100161115042_100009817187 [0,2,0,0,0,0|1,0,1]=4 12881 B15R0.164 CCCOCCNCCCCCCB(O)O 34a_100161115042_100009817187 [0,2,0,0,0,0|1,0,1]=4 12882 B15R0.164 CCCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215938 [0,2,0,0,0,0|2,0,0]=4 12883 B15R0.164 CCCOCCNCCCCCNC(=O)C 34a_200012022750_100011215938 [0,2,0,0,0,0|2,0,0]=4 12884 B15R0.164 CCCOCCNCCCCCOC(=O)C 2230a_100161115042_100009813381 [0,2,0,0,0,0|2,0,0]=4 12885 B15R0.164 CCCOCCNCCCCCOC(=O)C 34a_100161115042_100000033007 [0,2,0,0,0,0|2,0,0]=4 12886 B15R0.164 CCCOCCOCCCCCCB(O)O 34a_100000752267_100009817187 [0,2,0,0,0,0|1,0,1]=4 12887 B15R0.164 CCCOCCOCCCCCCB(O)O 7a_100000752267_100009817187 [0,2,0,0,0,0|1,0,1]=4 12888 B15R0.164 CCCOCCOCCCCCOC(=O)C 34a_100000752267_100000033007 [0,2,0,0,0,0|2,0,0]=4 12889 B15R0.164 CCCOCCOCCCCCOC(=O)C 7a_100000752267_100000033007 [0,2,0,0,0,0|2,0,0]=4 12890 B15R0.164 CCCOCCOCCNCCCC(=O)C 34a_200011904461_100000685027 [0,2,0,0,0,0|2,0,0]=4 12891 B15R0.164 CCCOCCOCCNCCCC(=O)N 34a_200011904461_100102525003 [0,2,0,0,0,0|2,0,0]=4 12892 B15R0.164 CCCOCCSCCCCCCB(O)O 62a_100009817187_100011215938 [0,2,0,0,0,0|1,0,1]=4 12893 B15R0.164 CCCOCCSCCCCCCB(O)O 62a_100011215938_100009817187 [0,2,0,0,0,0|1,0,1]=4 12894 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100000033007_100011215938 [0,2,0,0,0,0|2,0,0]=4 12895 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100011215938_100000033007 [0,2,0,0,0,0|2,0,0]=4 12896 B15R0.164 CCCSCCNCCCCCCB(O)O 2230a_100020603323_100009817187 [0,2,0,0,0,0|1,0,1]=4 12897 B15R0.164 CCCSCCNCCCCCOC(=O)C 2230a_100020603323_100009813381 [0,2,0,0,0,0|2,0,0]=4 12898 B15R0.164 CCCSCCOCCCCCCB(O)O 34a_200000230433_100009817187 [0,2,0,0,0,0|1,0,1]=4 12899 B15R0.164 CCCSCCOCCCCCCB(O)O 7a_200000230433_100009817187 [0,2,0,0,0,0|1,0,1]=4 12900 B15R0.164 CCCSCCOCCCCCOC(=O)C 34a_200000230433_100000033007 [0,2,0,0,0,0|2,0,0]=4 12901 B15R0.164 CCCSCCOCCCCCOC(=O)C 7a_200000230433_100000033007 [0,2,0,0,0,0|2,0,0]=4 12902 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [0,2,0,0,0,0|1,0,0]=3 12903 B15R0.164 CCNCCOCCOCCOCC(=O)O 269956a_100010423269_100000210202 [0,2,0,0,0,0|2,0,0]=4 12904 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [0,2,0,0,0,0|1,0,0]=3 12905 B15R0.164 CCOCCCNCCCCCCB(O)O 2230a_100000210961_100009817187 [0,2,0,0,0,0|1,0,1]=4 12906 B15R0.164 CCOCCCNCCCCCCB(O)O 34a_100000210961_100009817187 [0,2,0,0,0,0|1,0,1]=4 12907 B15R0.164 CCOCCCNCCCCCNC(=O)C 2230a_200012022750_100012232248 [0,2,0,0,0,0|2,0,0]=4 12908 B15R0.164 CCOCCCNCCCCCNC(=O)C 34a_200012022750_100012232248 [0,2,0,0,0,0|2,0,0]=4 12909 B15R0.164 CCOCCCNCCCCCOC(=O)C 2230a_100000210961_100009813381 [0,2,0,0,0,0|2,0,0]=4 12910 B15R0.164 CCOCCCNCCCCCOC(=O)C 34a_100000210961_100000033007 [0,2,0,0,0,0|2,0,0]=4 12911 B15R0.164 CCOCCCOCCCCCCB(O)O 34a_100000757476_100009817187 [0,2,0,0,0,0|1,0,1]=4 12912 B15R0.164 CCOCCCOCCCCCCB(O)O 7a_100000757476_100009817187 [0,2,0,0,0,0|1,0,1]=4 12913 B15R0.164 CCOCCCOCCCCCOC(=O)C 34a_100000757476_100000033007 [0,2,0,0,0,0|2,0,0]=4 12914 B15R0.164 CCOCCCOCCCCCOC(=O)C 7a_100000757476_100000033007 [0,2,0,0,0,0|2,0,0]=4 12915 B15R0.164 CCOCCCSCCCCCCB(O)O 62a_100009817187_100012232248 [0,2,0,0,0,0|1,0,1]=4 12916 B15R0.164 CCOCCCSCCCCCCB(O)O 62a_100012232248_100009817187 [0,2,0,0,0,0|1,0,1]=4 12917 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100000033007_100012232248 [0,2,0,0,0,0|2,0,0]=4 12918 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100012232248_100000033007 [0,2,0,0,0,0|2,0,0]=4 12919 B15R0.164 CCOCCNCCCCCCNC(=O)C 2230a_200011996284_100011215890 [0,2,0,0,0,0|2,0,0]=4 12920 B15R0.164 CCOCCNCCCCCCNC(=O)C 34a_200011996284_100000210147 [0,2,0,0,0,0|2,0,0]=4 12921 B15R0.164 CCOCCNCCOCCOCC(=O)O 269956a_100009854275_100000210147 [0,2,0,0,0,0|2,0,0]=4 12922 B15R0.164 CCOCCOCCNCCCCC(=O)C 34a_100102712874_100009817362 [0,2,0,0,0,0|2,0,0]=4 12923 B15R0.164 CCOCCOCCNCCCCC(=O)N 34a_100000696515_100011211534 [0,2,0,0,0,0|2,0,0]=4 12924 B15R0.164 CCOCCOCCNCCOCC(=O)O 269956a_100000700818_100011211534 [0,2,0,0,0,0|2,0,0]=4 12925 B15R0.164 CCOCCOCCOCCCCC(=O)C 34a_100000210240_100009817362 [0,2,0,0,0,0|2,0,0]=4 12926 B15R0.164 CCOCCOCCOCCCCC(=O)C 7a_100000210240_100000735457 [0,2,0,0,0,0|2,0,0]=4 12927 B15R0.164 CCOCCOCCOCCCCC(=O)N 34a_100012022536_100011211534 [0,2,0,0,0,0|2,0,0]=4 12928 B15R0.164 CCOCCOCCOCCCCC(=O)N 7a_100012022536_100011211534 [0,2,0,0,0,0|2,0,0]=4 12929 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100000735457_100011211534 [0,2,0,0,0,0|2,0,0]=4 12930 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100011211534_100000735457 [0,2,0,0,0,0|2,0,0]=4 12931 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [0,2,0,0,0,0|1,0,0]=3 12932 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [0,2,0,0,0,0|1,0,0]=3 12933 B15R0.164 CCSCCCOCCCCCCB(O)O 34a_100011216438_100009817187 [0,2,0,0,0,0|1,0,1]=4 12934 B15R0.164 CCSCCCOCCCCCCB(O)O 7a_100011216438_100009817187 [0,2,0,0,0,0|1,0,1]=4 12935 B15R0.164 CCSCCCOCCCCCOC(=O)C 34a_100011216438_100000033007 [0,2,0,0,0,0|2,0,0]=4 12936 B15R0.164 CCSCCCOCCCCCOC(=O)C 7a_100011216438_100000033007 [0,2,0,0,0,0|2,0,0]=4 12937 B15R0.164 CCSCCNCCCCCCNC(=O)C 2230a_200011996284_100000757381 [0,2,0,0,0,0|2,0,0]=4 12938 B15R0.164 CCSCCNCCCCCCNC(=O)C 34a_200011996284_100000757381 [0,2,0,0,0,0|2,0,0]=4 12939 B15R0.164 CCSCCNCCOCCOCC(=O)O 269956a_100009854275_100000757381 [0,2,0,0,0,0|2,0,0]=4 12940 B15R0.164 CNCCCCCOCCCCCB(O)O 34a_100000722520_200009817188 [0,2,0,0,0,0|1,0,1]=4 12941 B15R0.164 CNCCCCCOCCCCCC(=O)N 34a_100000722520_100009817443 [0,2,0,0,0,0|1,0,0]=3 12942 B15R0.164 CNCCCCCOCCCCOC(=O)C 34a_100000722520_100000033659 [0,2,0,0,0,0|2,0,0]=4 12943 B15R0.164 CNCCCCCOCCCCSC(=O)C 34a_100000722520_200010402107 [0,2,0,0,0,0|2,0,0]=4 12944 B15R0.164 CNCCOCCOCCCCCC(=O)N 34a_100000228057_100009817443 [0,2,0,0,0,0|2,0,0]=4 12945 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [0,2,0,0,0,0|1,0,0]=3 12946 B15R0.164 COCCCCCCNCCCNC(=O)C 34a_100000736810_100011998445 [0,2,0,0,0,0|2,0,0]=4 12947 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [0,2,0,0,0,0|1,0,0]=3 12948 B15R0.164 COCCCCCCOCCCCB(O)O 34a_200012092642_200009817182 [0,2,0,0,0,0|1,0,1]=4 12949 B15R0.164 COCCCCCCOCCCCB(O)O 7a_200012092642_200009817182 [0,2,0,0,0,0|1,0,1]=4 12950 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [0,2,0,0,0,0|1,0,0]=3 12951 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [0,2,0,0,0,0|1,0,0]=3 12952 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [0,2,0,0,0,0|1,0,0]=3 12953 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [0,2,0,0,0,0|1,0,0]=3 12954 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011998445 [0,2,0,0,0,0|1,0,1]=4 12955 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011998445 [0,2,0,0,0,0|1,0,1]=4 12956 B15R0.164 COCCCCCCOCCCNC(=O)C 34a_100000752032_100011998445 [0,2,0,0,0,0|2,0,0]=4 12957 B15R0.164 COCCCCCCOCCCOC(=O)C 34a_200012092642_100000042594 [0,2,0,0,0,0|2,0,0]=4 12958 B15R0.164 COCCCCCCOCCCOC(=O)C 7a_200012092642_100000042594 [0,2,0,0,0,0|2,0,0]=4 12959 B15R0.164 COCCCCCCOCCCSC(=O)C 34a_200012092642_100000038929 [0,2,0,0,0,0|2,0,0]=4 12960 B15R0.164 COCCCCCCOCCCSC(=O)C 7a_200012092642_100000038929 [0,2,0,0,0,0|2,0,0]=4 12961 B15R0.164 COCCCCCCOCCOCC(=O)N 34a_200012092642_100000076697 [0,2,0,0,0,0|2,0,0]=4 12962 B15R0.164 COCCCCCCOCCOCC(=O)N 7a_200012092642_100000076697 [0,2,0,0,0,0|2,0,0]=4 12963 B15R0.164 COCCCCCCSCCCCB(O)O 62a_100011998445_200009817182 [0,2,0,0,0,0|1,0,1]=4 12964 B15R0.164 COCCCCCCSCCCCB(O)O 62a_200009817182_100011998445 [0,2,0,0,0,0|1,0,1]=4 12965 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [0,2,0,0,0,0|1,0,0]=3 12966 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [0,2,0,0,0,0|1,0,0]=3 12967 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100000042594_100011998445 [0,2,0,0,0,0|2,0,0]=4 12968 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100011998445_100000042594 [0,2,0,0,0,0|2,0,0]=4 12969 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100000038929_100011998445 [0,2,0,0,0,0|2,0,0]=4 12970 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100011998445_100000038929 [0,2,0,0,0,0|2,0,0]=4 12971 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100000076697_100011998445 [0,2,0,0,0,0|2,0,0]=4 12972 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100011998445_100000076697 [0,2,0,0,0,0|2,0,0]=4 12973 B15R0.164 COCCCCCNCCCCCB(O)O 2230a_100000747528_200009817188 [0,2,0,0,0,0|1,0,1]=4 12974 B15R0.164 COCCCCCNCCCCCB(O)O 34a_100000747528_200009817188 [0,2,0,0,0,0|1,0,1]=4 12975 B15R0.164 COCCCCCNCCCCCC(=O)N 2230a_100000747528_100009817443 [0,2,0,0,0,0|1,0,0]=3 12976 B15R0.164 COCCCCCNCCCCCC(=O)N 34a_100000747528_100009817443 [0,2,0,0,0,0|1,0,0]=3 12977 B15R0.164 COCCCCCNCCCCOC(=O)C 34a_100000747528_100000033659 [0,2,0,0,0,0|2,0,0]=4 12978 B15R0.164 COCCCCCNCCCCSC(=O)C 2230a_100000747528_200010402107 [0,2,0,0,0,0|2,0,0]=4 12979 B15R0.164 COCCCCCNCCCCSC(=O)C 34a_100000747528_200010402107 [0,2,0,0,0,0|2,0,0]=4 12980 B15R0.164 COCCCCNCCCCCNC(=O)C 2230a_200012022750_100000730899 [0,2,0,0,0,0|2,0,0]=4 12981 B15R0.164 COCCCCNCCCCCNC(=O)C 34a_200012022750_100000755781 [0,2,0,0,0,0|2,0,0]=4 12982 B15R0.164 COCCCCOCCCCCCB(O)O 34a_100000740925_100009817187 [0,2,0,0,0,0|1,0,1]=4 12983 B15R0.164 COCCCCOCCCCCOC(=O)C 34a_100000740925_100000033007 [0,2,0,0,0,0|2,0,0]=4 12984 B15R0.164 COCCCCSCCCCCCB(O)O 62a_100000730899_100009817187 [0,2,0,0,0,0|1,0,1]=4 12985 B15R0.164 COCCCCSCCCCCCB(O)O 62a_100009817187_100000730899 [0,2,0,0,0,0|1,0,1]=4 12986 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000033007_100000730899 [0,2,0,0,0,0|2,0,0]=4 12987 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000730899_100000033007 [0,2,0,0,0,0|2,0,0]=4 12988 B15R0.164 COCCCNCCCCCCNC(=O)C 2230a_200011996284_100000740836 [0,2,0,0,0,0|2,0,0]=4 12989 B15R0.164 COCCCNCCCCCCNC(=O)C 34a_200011996284_100000740836 [0,2,0,0,0,0|2,0,0]=4 12990 B15R0.164 COCCCNCCOCCOCC(=O)O 269956a_100009854275_100000740836 [0,2,0,0,0,0|2,0,0]=4 12991 B15R0.164 COCCCOCCCOCCCC(=O)C 34a_200011215475_100000685027 [0,2,0,0,0,0|2,0,0]=4 12992 B15R0.164 COCCCOCCCOCCCC(=O)C 7a_200011215475_100011215641 [0,2,0,0,0,0|2,0,0]=4 12993 B15R0.164 COCCCOCCCOCCCC(=O)N 34a_200011215475_100102525003 [0,2,0,0,0,0|2,0,0]=4 12994 B15R0.164 COCCCOCCCOCCCC(=O)N 7a_200011215475_100102525003 [0,2,0,0,0,0|2,0,0]=4 12995 B15R0.164 COCCOCCCNCCCCC(=O)C 34a_100000206027_100009817362 [0,2,0,0,0,0|2,0,0]=4 12996 B15R0.164 COCCOCCCNCCCCC(=O)N 34a_100000696515_100011216529 [0,2,0,0,0,0|2,0,0]=4 12997 B15R0.164 COCCOCCCNCCOCC(=O)O 269956a_100000700818_100011216529 [0,2,0,0,0,0|2,0,0]=4 12998 B15R0.164 COCCOCCCOCCCCC(=O)N 34a_100012022536_100011216529 [0,2,0,0,0,0|2,0,0]=4 12999 B15R0.164 COCCOCCCOCCCCC(=O)N 7a_100012022536_100011216529 [0,2,0,0,0,0|2,0,0]=4 13000 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100000735457_100011216529 [0,2,0,0,0,0|2,0,0]=4 13001 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100011216529_100000735457 [0,2,0,0,0,0|2,0,0]=4 13002 B15R0.164 COCCOCCNCCCCCC(=O)N 2230a_100000745349_100009817443 [0,2,0,0,0,0|2,0,0]=4 13003 B15R0.164 COCCOCCNCCCCCC(=O)N 34a_100000745349_100009817443 [0,2,0,0,0,0|2,0,0]=4 13004 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100000123541_100000695917 [0,2,0,0,0,0|2,0,0]=4 13005 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100011215163_100009817443 [0,2,0,0,0,0|2,0,0]=4 13006 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100000123541_100000695917 [0,2,0,0,0,0|2,0,0]=4 13007 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100011215163_100009817443 [0,2,0,0,0,0|2,0,0]=4 13008 B15R0.164 COCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000695917 [0,2,0,0,0,0|1,0,1]=4 13009 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100000695917_100009817443 [0,2,0,0,0,0|2,0,0]=4 13010 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100009817443_100000695917 [0,2,0,0,0,0|2,0,0]=4 13011 B15R0.164 CS(=O)CCCNCCCCCCCCO 2230a_200000753449_100000033203 [0,2,0,0,0,0|2,0,0]=4 13012 B15R0.164 CSCCCCOCCCCCCB(O)O 34a_100011217163_100009817187 [0,2,0,0,0,0|1,0,1]=4 13013 B15R0.164 CSCCCCOCCCCCCB(O)O 7a_100011217163_100009817187 [0,2,0,0,0,0|1,0,1]=4 13014 B15R0.164 CSCCCCOCCCCCOC(=O)C 34a_100011217163_100000033007 [0,2,0,0,0,0|2,0,0]=4 13015 B15R0.164 CSCCCCOCCCCCOC(=O)C 7a_100011217163_100000033007 [0,2,0,0,0,0|2,0,0]=4 13016 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 2230a_100000066964_100009817552 [0,2,0,0,0,0|1,0,1]=4 13017 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 34a_100000066964_100009817552 [0,2,0,0,0,0|1,0,1]=4 13018 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 34a_100009813290_100009817552 [0,2,0,0,0,0|1,0,1]=4 13019 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 7a_100009813290_100009817552 [0,2,0,0,0,0|1,0,1]=4 13020 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 34a_200000033068_100009817552 [0,2,0,0,0,0|1,0,1]=4 13021 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 7a_200000033068_100009817552 [0,2,0,0,0,0|1,0,1]=4 13022 B15R0.164 C[C@@H](O)COCCCCCCCCCCN 34a_100000066964_100009817552 [0,2,0,0,0,0|1,0,1]=4 13023 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009813290_100009817552 [0,2,0,0,0,0|1,0,1]=4 13024 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009817552_200000033068 [0,2,0,0,0,0|1,0,1]=4 13025 B15R0.164 N#CCCCCCCNCCOCC(=O)O 269956a_100000700818_100009813337 [0,2,0,0,0,0|1,0,1]=4 13026 B15R0.164 N#CCCCCCCOCCCCC(=O)N 7a_100012022536_100009813337 [0,2,0,0,0,0|1,0,1]=4 13027 B15R0.164 N#CCCCCCOCCCCCC(=O)N 7a_100000123541_100009813376 [0,2,0,0,0,0|1,0,1]=4 13028 B15R0.164 N#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813376 [0,2,0,0,0,0|0,0,2]=4 13029 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009813376_100009817443 [0,2,0,0,0,0|1,0,1]=4 13030 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009817443_100009813376 [0,2,0,0,0,0|1,0,1]=4 13031 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_100015361967_200010167045 [0,2,0,0,0,0|1,0,0]=3 13032 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_200010167045_100015361967 [0,2,0,0,0,0|1,0,0]=3 13033 B15R0.164 NC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009817443 [0,2,0,0,0,0|1,0,0]=3 13034 B15R0.164 NC(=O)CCCCCNCCCCCCO 34a_100000686447_100009817443 [0,2,0,0,0,0|1,0,0]=3 13035 B15R0.164 NC(=O)CCCCCOCCCCCC=O 7a_100000123541_100000139337 [0,2,0,0,0,0|1,0,1]=4 13036 B15R0.164 NC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009817443 [0,2,0,0,0,0|1,0,0]=3 13037 B15R0.164 NC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009817443 [0,2,0,0,0,0|1,0,0]=3 13038 B15R0.164 NC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009817443 [0,2,0,0,0,0|1,0,0]=3 13039 B15R0.164 NC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009817443 [0,2,0,0,0,0|1,0,0]=3 13040 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000123541_100015922095 [0,2,0,0,0,0|1,0,0]=3 13041 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000732779_100009817443 [0,2,0,0,0,0|1,0,0]=3 13042 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000123541_100015922095 [0,2,0,0,0,0|1,0,0]=3 13043 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000732779_100009817443 [0,2,0,0,0,0|1,0,0]=3 13044 B15R0.164 NC(=O)CCCCCOCCCCCCO 34a_100000123541_100000766143 [0,2,0,0,0,0|1,0,0]=3 13045 B15R0.164 NC(=O)CCCCCOCCCCCCO 7a_100000123541_100000766143 [0,2,0,0,0,0|1,0,0]=3 13046 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100000139337_100009817443 [0,2,0,0,0,0|1,0,1]=4 13047 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100009817443_100000139337 [0,2,0,0,0,0|1,0,1]=4 13048 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100009817443_100015922095 [0,2,0,0,0,0|1,0,0]=3 13049 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100015922095_100009817443 [0,2,0,0,0,0|1,0,0]=3 13050 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100000766143_100009817443 [0,2,0,0,0,0|1,0,0]=3 13051 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100009817443_100000766143 [0,2,0,0,0,0|1,0,0]=3 13052 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [0,2,0,0,0,0|1,0,0]=3 13053 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [0,2,0,0,0,0|1,0,0]=3 13054 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [0,2,0,0,0,0|1,0,0]=3 13055 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [0,2,0,0,0,0|1,0,0]=3 13056 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [0,2,0,0,0,0|1,0,0]=3 13057 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [0,2,0,0,0,0|1,0,0]=3 13058 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [0,2,0,0,0,0|1,0,0]=3 13059 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [0,2,0,0,0,0|1,0,0]=3 13060 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [0,2,0,0,0,0|1,0,0]=3 13061 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [0,2,0,0,0,0|1,0,0]=3 13062 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [0,2,0,0,0,0|1,0,0]=3 13063 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [0,2,0,0,0,0|1,0,0]=3 13064 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [0,2,0,0,0,0|1,0,0]=3 13065 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [0,2,0,0,0,0|1,0,0]=3 13066 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [0,2,0,0,0,0|1,0,0]=3 13067 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [0,2,0,0,0,0|1,0,0]=3 13068 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [0,2,0,0,0,0|1,0,0]=3 13069 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [0,2,0,0,0,0|1,0,0]=3 13070 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [0,2,0,0,0,0|1,0,0]=3 13071 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [0,2,0,0,0,0|1,0,0]=3 13072 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [0,2,0,0,0,0|1,0,0]=3 13073 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747473 [0,2,0,0,0,0|1,0,0]=3 13074 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000711301_100009813290 [0,2,0,0,0,0|1,0,0]=3 13075 B15R0.164 NC(=O)CNCCCCCCCCCCO 34a_100000066964_100000187820 [0,2,0,0,0,0|1,0,0]=3 13076 B15R0.164 NC(=O)COCCCCCCCCCCBr 34a_100009813290_100000187820 [0,2,0,0,0,0|1,0,0]=3 13077 B15R0.164 NC(=O)COCCCCCCCCCCBr 7a_100009813290_100000187820 [0,2,0,0,0,0|1,0,0]=3 13078 B15R0.164 NC(=O)COCCCCCCCCCCCl 34a_200000033068_100000187820 [0,2,0,0,0,0|1,0,0]=3 13079 B15R0.164 NC(=O)COCCCCCCCCCCCl 7a_200000033068_100000187820 [0,2,0,0,0,0|1,0,0]=3 13080 B15R0.164 NC(=O)COCCNCCCCCCCO 2230a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 13081 B15R0.164 NC(=O)COCCNCCCCCCCO 34a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 13082 B15R0.164 NC(=O)COCCOCCCCCCCBr 34a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 13083 B15R0.164 NC(=O)COCCOCCCCCCCBr 7a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 13084 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000076697_100000760002 [0,2,0,0,0,0|2,0,0]=4 13085 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 13086 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100000747473_200000033068 [0,2,0,0,0,0|1,0,0]=3 13087 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747473 [0,2,0,0,0,0|1,0,0]=3 13088 B15R0.164 NC(=O)NCCNCCCCCCCCO 2230a_102515433106_200000034859 [0,2,0,0,0,0|2,0,0]=4 13089 B15R0.164 NC(=O)NCCNCCCCCCCCO 34a_100020590234_100000033203 [0,2,0,0,0,0|2,0,0]=4 13090 B15R0.164 NC(=O)NCCOCCCCCCCCBr 7a_100009813846_200000034859 [0,2,0,0,0,0|2,0,0]=4 13091 B15R0.164 NC(=O)NCCOCCCCCCCCCl 7a_100000033203_200000034859 [0,2,0,0,0,0|2,0,0]=4 13092 B15R0.164 NC(=O)NCCOCCCCCCCCO 34a_100000181757_100000033203 [0,2,0,0,0,0|2,0,0]=4 13093 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_100000033203_200000034859 [0,2,0,0,0,0|2,0,0]=4 13094 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_200000034859_100000033203 [0,2,0,0,0,0|2,0,0]=4 13095 B15R0.164 NC(=O)OCCNCCCCCCCCO 34a_102515433106_200011214921 [0,2,0,0,0,0|2,0,0]=4 13096 B15R0.164 NC(=O)OCCOCCCCCCCCBr 34a_100009813846_200011214921 [0,2,0,0,0,0|2,0,0]=4 13097 B15R0.164 NC(=O)OCCOCCCCCCCCBr 7a_100009813846_200011214921 [0,2,0,0,0,0|2,0,0]=4 13098 B15R0.164 NC(=O)OCCOCCCCCCCCCl 34a_100000033203_200011214921 [0,2,0,0,0,0|2,0,0]=4 13099 B15R0.164 NC(=O)OCCOCCCCCCCCCl 7a_100000033203_200011214921 [0,2,0,0,0,0|2,0,0]=4 13100 B15R0.164 NC(=O)OCCOCCCCCCCCO 7a_100000766696_100000033203 [0,2,0,0,0,0|2,0,0]=4 13101 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_100000033203_200011214921 [0,2,0,0,0,0|2,0,0]=4 13102 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_200011214921_100000033203 [0,2,0,0,0,0|2,0,0]=4 13103 B15R0.164 NCCCCCCCCCCOCC(=O)N 34a_100000066964_100000187820 [0,2,0,0,0,0|1,0,0]=3 13104 B15R0.164 NCCCCCCCCCCOCC(=O)[O-] 34a_100000066964_100020667443 [0,2,0,0,0,0|0,0,1]=3 13105 B15R0.164 NCCCCCCCCCCOC[N+](=O)[O-] 34a_100000066964_100000761209 [0,2,0,0,0,0|1,0,1]=4 13106 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [0,2,0,0,0,0|1,0,0]=3 13107 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [0,2,0,0,0,0|1,0,0]=3 13108 B15R0.164 NCCCCCCCCOCCOC(=O)N 34a_102515433106_200011214921 [0,2,0,0,0,0|2,0,0]=4 13109 B15R0.164 NCCCCCCCOCCCCB(O)O 34a_100011996573_200009817182 [0,2,0,0,0,0|1,0,1]=4 13110 B15R0.164 NCCCCCCCOCCOCC(=O)N 34a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 13111 B15R0.164 NCCCCCCOCCCCCB(O)O 34a_100000686447_200009817188 [0,2,0,0,0,0|1,0,1]=4 13112 B15R0.164 NCCCCCCOCCCCCC(=O)N 34a_100000686447_100009817443 [0,2,0,0,0,0|1,0,0]=3 13113 B15R0.164 NCCCCCOCCCCCCB(O)O 34a_100000762737_100009817187 [0,2,0,0,0,0|1,0,1]=4 13114 B15R0.164 NCCNCCCCCOCCCC(=O)N 34a_103619048469_100102525003 [0,2,0,0,0,0|2,0,0]=4 13115 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [0,2,0,0,0,0|0,0,0]=2 13116 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [0,2,0,0,0,0|1,0,0]=3 13117 B15R0.164 O=C(O)COCCOCCNCCCCF 269956a_100009854275_100000729493 [0,2,0,0,0,0|2,0,0]=4 13118 B15R0.164 O=C(O)COCCOCCNCCCCO 269956a_100009854275_100000210776 [0,2,0,0,0,0|2,0,0]=4 13119 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [0,2,0,0,0,0|1,0,0]=3 13120 B15R0.164 O=C([O-])CCCCCOCCCCCCF 7a_100102619762_100015922095 [0,2,0,0,0,0|0,0,1]=3 13121 B15R0.164 O=C([O-])CCCCCOCCCCCCO 7a_100102619762_100000766143 [0,2,0,0,0,0|0,0,1]=3 13122 B15R0.164 O=C([O-])CNCCCCCCCCCCO 34a_100000066964_100020667443 [0,2,0,0,0,0|0,0,1]=3 13123 B15R0.164 O=C([O-])COCCCCCCCCCCBr 34a_100009813290_100020667443 [0,2,0,0,0,0|0,0,1]=3 13124 B15R0.164 O=C([O-])COCCCCCCCCCCCl 34a_200000033068_100020667443 [0,2,0,0,0,0|0,0,1]=3 13125 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100009813290_100020667443 [0,2,0,0,0,0|0,0,1]=3 13126 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100020667443_200000033068 [0,2,0,0,0,0|0,0,1]=3 13127 B15R0.164 O=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139337 [0,2,0,0,0,0|0,0,2]=4 13128 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 34a_200015379883_100000760002 [0,2,0,0,0,0|1,0,1]=4 13129 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 7a_200015379883_100000760002 [0,2,0,0,0,0|1,0,1]=4 13130 B15R0.164 O=[N+]([O-])CCCOCCCCCCCCO 34a_200000037920_100000033203 [0,2,0,0,0,0|1,0,1]=4 13131 B15R0.164 O=[N+]([O-])CNCCCCCCCCCCO 34a_100000066964_100000761209 [0,2,0,0,0,0|1,0,1]=4 13132 B15R0.164 O=[N+]([O-])COCCCCCCCCCCBr 34a_100009813290_100000761209 [0,2,0,0,0,0|1,0,1]=4 13133 B15R0.164 O=[N+]([O-])COCCCCCCCCCCCl 34a_200000033068_100000761209 [0,2,0,0,0,0|1,0,1]=4 13134 B15R0.164 O=[N+]([O-])CSCCCCCCCCCCO 62a_100009813290_100000761209 [0,2,0,0,0,0|1,0,1]=4 13135 B15R0.164 OB(O)CCCCCCOCCCCCBr 34a_100000746331_100009817187 [0,2,0,0,0,0|1,0,1]=4 13136 B15R0.164 OB(O)CCCCCCOCCCCCBr 7a_100000746331_100009817187 [0,2,0,0,0,0|1,0,1]=4 13137 B15R0.164 OB(O)CCCCCCOCCCCCCl 34a_100000746330_100009817187 [0,2,0,0,0,0|1,0,1]=4 13138 B15R0.164 OB(O)CCCCCCOCCCCCCl 7a_100000746330_100009817187 [0,2,0,0,0,0|1,0,1]=4 13139 B15R0.164 OB(O)CCCCCCOCCCCCI 34a_200012148887_100009817187 [0,2,0,0,0,0|1,0,1]=4 13140 B15R0.164 OB(O)CCCCCCOCCCCCI 7a_200012148887_100009817187 [0,2,0,0,0,0|1,0,1]=4 13141 B15R0.164 OB(O)CCCCCCSCCCCCF 62a_100000729378_100009817187 [0,2,0,0,0,0|1,0,1]=4 13142 B15R0.164 OB(O)CCCCCCSCCCCCF 62a_100009817187_100000729378 [0,2,0,0,0,0|1,0,1]=4 13143 B15R0.164 OB(O)CCCCCOCCCCCCBr 34a_100011215345_200009817188 [0,2,0,0,0,0|1,0,1]=4 13144 B15R0.164 OB(O)CCCCCOCCCCCCBr 7a_100011215345_200009817188 [0,2,0,0,0,0|1,0,1]=4 13145 B15R0.164 OB(O)CCCCCOCCCCCCCl 34a_100000766143_200009817188 [0,2,0,0,0,0|1,0,1]=4 13146 B15R0.164 OB(O)CCCCCOCCCCCCCl 7a_100000766143_200009817188 [0,2,0,0,0,0|1,0,1]=4 13147 B15R0.164 OB(O)CCCCCOCCCCCCF 34a_100000732779_200009817188 [0,2,0,0,0,0|1,0,1]=4 13148 B15R0.164 OB(O)CCCCCOCCCCCCF 7a_100000732779_200009817188 [0,2,0,0,0,0|1,0,1]=4 13149 B15R0.164 OB(O)CCCCCSCCCCCCF 62a_100015922095_200009817188 [0,2,0,0,0,0|1,0,1]=4 13150 B15R0.164 OB(O)CCCCCSCCCCCCF 62a_200009817188_100015922095 [0,2,0,0,0,0|1,0,1]=4 13151 B15R0.164 OB(O)CCCCOCCCCCCCBr 34a_100000760002_200009817182 [0,2,0,0,0,0|1,0,1]=4 13152 B15R0.164 OB(O)CCCCOCCCCCCCBr 7a_100000760002_200009817182 [0,2,0,0,0,0|1,0,1]=4 13153 B15R0.164 OCCCCCCCNCCCCB(O)O 2230a_100011996573_200009817182 [0,2,0,0,0,0|1,0,1]=4 13154 B15R0.164 OCCCCCCCNCCCCB(O)O 34a_100011996573_200009817182 [0,2,0,0,0,0|1,0,1]=4 13155 B15R0.164 OCCCCCCCSCCCCB(O)O 62a_100000760002_200009817182 [0,2,0,0,0,0|1,0,1]=4 13156 B15R0.164 OCCCCCCCSCCCCB(O)O 62a_200009817182_100000760002 [0,2,0,0,0,0|1,0,1]=4 13157 B15R0.164 OCCCCCCNCCCCCB(O)O 2230a_100000686447_200009817188 [0,2,0,0,0,0|1,0,1]=4 13158 B15R0.164 OCCCCCCNCCCCCB(O)O 34a_100000686447_200009817188 [0,2,0,0,0,0|1,0,1]=4 13159 B15R0.164 OCCCCCCSCCCCCB(O)O 62a_100000766143_200009817188 [0,2,0,0,0,0|1,0,1]=4 13160 B15R0.164 OCCCCCCSCCCCCB(O)O 62a_200009817188_100000766143 [0,2,0,0,0,0|1,0,1]=4 13161 B15R0.164 OCCCCCNCCCCCCB(O)O 2230a_100000762737_100009817187 [0,2,0,0,0,0|1,0,1]=4 13162 B15R0.164 OCCCCCNCCCCCCB(O)O 34a_100000762737_100009817187 [0,2,0,0,0,0|1,0,1]=4 13163 B15R0.164 OCCCCCSCCCCCCB(O)O 62a_100000746330_100009817187 [0,2,0,0,0,0|1,0,1]=4 13164 B15R0.164 OCCCCCSCCCCCCB(O)O 62a_100009817187_100000746330 [0,2,0,0,0,0|1,0,1]=4 13165 B15R0.210 C=C(C)CCOCCCCC(C)CCCC 34a_200011021034_100000730704 [0,2,0,0,0,0|2,0,0]=4 13166 B15R0.210 C=C(C)CCOCCCCC(C)CCCC 7a_200011021034_100000730704 [0,2,0,0,0,0|2,0,0]=4 13167 B15R0.210 CCCCC(C)CCCCOCCC(=O)C 7a_200011021034_100000053229 [0,2,0,0,0,0|1,0,0]=3 13168 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 34a_200011021034_100000731001 [0,2,0,0,0,0|1,0,0]=3 13169 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 7a_200011021034_100000744528 [0,2,0,0,0,0|1,0,0]=3 13170 B15R0.210 CCCCC(C)CCCCOCCC(C)O 34a_200011021034_100012276601 [0,2,0,0,0,0|1,0,1]=4 13171 B15R0.210 CCCCC(C)CCCCOCCC(C)O 7a_200011021034_100012276601 [0,2,0,0,0,0|1,0,1]=4 13172 B15R0.210 CCCCC(C)CCCCOCOC(=O)C 34a_200011021034_100009813279 [0,2,0,0,0,0|2,0,0]=4 13173 B15R0.210 CCCCC(C)COCCCCCB(O)O 34a_100011995851_200009817188 [0,2,0,0,0,0|1,0,1]=4 13174 B15R0.210 CCCCC(C)COCCCCCB(O)O 7a_100011995851_200009817188 [0,2,0,0,0,0|1,0,1]=4 13175 B15R0.210 CCCCC(C)COCCCCCC(=O)N 34a_100011995851_100009817443 [0,2,0,0,0,0|1,0,0]=3 13176 B15R0.210 CCCCC(C)COCCCCCC(=O)N 7a_100011995851_100009817443 [0,2,0,0,0,0|1,0,0]=3 13177 B15R0.210 CCCCC(C)COCCCCOC(=O)C 34a_100011995851_100000033659 [0,2,0,0,0,0|2,0,0]=4 13178 B15R0.210 CCCCC(C)COCCCCOC(=O)C 7a_100011995851_100000033659 [0,2,0,0,0,0|2,0,0]=4 13179 B15R0.210 CCCCC(C)COCCCCSC(=O)C 34a_100011995851_200010402107 [0,2,0,0,0,0|2,0,0]=4 13180 B15R0.210 CCCCC(C)COCCCCSC(=O)C 7a_100011995851_200010402107 [0,2,0,0,0,0|2,0,0]=4 13181 B15R0.210 CCCCC(C)NCCCCCCB(O)O 2230a_100000126638_100009817187 [0,2,0,0,0,0|1,0,1]=4 13182 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_200011215066 [0,2,0,0,0,0|2,0,0]=4 13183 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000210087 [0,2,0,0,0,0|2,0,0]=4 13184 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 34a_200012022750_200011215066 [0,2,0,0,0,0|2,0,0]=4 13185 B15R0.210 CCCCC(C)NCCCCCOC(=O)C 2230a_100000126638_100009813381 [0,2,0,0,0,0|2,0,0]=4 13186 B15R0.210 CCCCC(C)OCCCCCCB(O)O 34a_100000687866_100009817187 [0,2,0,0,0,0|1,0,1]=4 13187 B15R0.210 CCCCC(C)OCCCCCCB(O)O 7a_100000687866_100009817187 [0,2,0,0,0,0|1,0,1]=4 13188 B15R0.210 CCCCC(C)OCCCCCOC(=O)C 34a_100000687866_100000033007 [0,2,0,0,0,0|2,0,0]=4 13189 B15R0.210 CCCCC(C)OCCCCCOC(=O)C 7a_100000687866_100000033007 [0,2,0,0,0,0|2,0,0]=4 13190 B15R0.210 CCCCC(C)SCCCCCCB(O)O 62a_100009817187_200011215066 [0,2,0,0,0,0|1,0,1]=4 13191 B15R0.210 CCCCC(C)SCCCCCCB(O)O 62a_200011215066_100009817187 [0,2,0,0,0,0|1,0,1]=4 13192 B15R0.210 CCCCC(C)SCCCCCOC(=O)C 62a_100000033007_200011215066 [0,2,0,0,0,0|2,0,0]=4 13193 B15R0.210 CCCCC(C)SCCCCCOC(=O)C 62a_200011215066_100000033007 [0,2,0,0,0,0|2,0,0]=4 13194 B15R0.210 CCCC[C@H](N)COCCCCCB(O)O 34a_100011934283_200009817188 [0,2,0,0,0,0|1,0,1]=4 13195 B15R0.210 CCCC[C@H](N)COCCCCCC(=O)N 34a_100011934283_100009817443 [0,2,0,0,0,0|1,0,0]=3 13196 B15R0.210 CCCC[C@H](N)COCCCCOC(=O)C 34a_100011934283_100000033659 [0,2,0,0,0,0|2,0,0]=4 13197 B15R0.210 CCCC[C@H](N)COCCCCSC(=O)C 34a_100011934283_200010402107 [0,2,0,0,0,0|2,0,0]=4 13198 B15R0.210 CCCOC(C)CNCCCCCC(=O)N 2230a_100015185124_100009817443 [0,2,0,0,0,0|2,0,0]=4 13199 B15R0.210 CCCOC(C)CNCCCCCC(=O)N 34a_100015185124_100009817443 [0,2,0,0,0,0|2,0,0]=4 13200 B15R0.210 CCOCC(O)CNCCCCCC(=O)N 2230a_102515437182_100009817443 [0,2,0,0,0,0|2,0,0]=4 13201 B15R0.210 CCOCC(O)CNCCCCCC(=O)N 34a_102515437182_100009817443 [0,2,0,0,0,0|2,0,0]=4 13202 B15R0.210 CSCC[C@H](N)COCCCCCC(=O)N 34a_100011827619_100009817443 [0,2,0,0,0,0|2,0,0]=4 13203 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 2230a_100160569302_100009817443 [0,2,0,0,0,0|2,0,0]=4 13204 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 34a_100160569302_100009817443 [0,2,0,0,0,0|2,0,0]=4 13205 B15R0.222 C=C(C)CCOCCCCCCCC(C)C 34a_200000210741_100000730704 [0,2,0,0,0,0|2,0,0]=4 13206 B15R0.222 C=C(C)CCOCCCCCCCC(C)C 7a_200000210741_100000730704 [0,2,0,0,0,0|2,0,0]=4 13207 B15R0.222 CC(=O)CCCCCCCCCCC(=O)N 1458a_100000070787_200010167045 [0,2,0,0,0,0|1,0,0]=3 13208 B15R0.222 CC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100009817362 [0,2,0,0,0,0|1,0,0]=3 13209 B15R0.222 CC(=O)CCCCNCCCOCC(C)C 34a_100000205972_100009817362 [0,2,0,0,0,0|2,0,0]=4 13210 B15R0.222 CC(=O)CCCCOCCCCCC(=O)N 34a_100000123541_100009817362 [0,2,0,0,0,0|1,0,1]=4 13211 B15R0.222 CC(=O)CCCCOCCCCCC(=O)N 7a_100000123541_100000735457 [0,2,0,0,0,0|1,0,1]=4 13212 B15R0.222 CC(=O)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000735457 [0,2,0,0,0,0|0,0,2]=4 13213 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100009817362 [0,2,0,0,0,0|1,0,0]=3 13214 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000735457 [0,2,0,0,0,0|1,0,0]=3 13215 B15R0.222 CC(=O)CCCCOCCCCNC(C)C 34a_100011521146_100009817362 [0,2,0,0,0,0|2,0,0]=4 13216 B15R0.222 CC(=O)CCCCSCCCCCC(=O)N 62a_100000735457_100009817443 [0,2,0,0,0,0|1,0,1]=4 13217 B15R0.222 CC(=O)CCCCSCCCCCC(=O)N 62a_100009817443_100000735457 [0,2,0,0,0,0|1,0,1]=4 13218 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000735457 [0,2,0,0,0,0|1,0,0]=3 13219 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000735457_100000210682 [0,2,0,0,0,0|1,0,0]=3 13220 B15R0.222 CC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000685027 [0,2,0,0,0,0|1,0,0]=3 13221 B15R0.222 CC(=O)CCCOCCCCCNC(C)C 34a_100011629493_100000685027 [0,2,0,0,0,0|2,0,0]=4 13222 B15R0.222 CC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000053229 [0,2,0,0,0,0|1,0,0]=3 13223 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 2230a_200011996284_100000210312 [0,2,0,0,0,0|2,0,0]=4 13224 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 269862a_200011996284_100000185833 [0,2,0,0,0,0|2,0,0]=4 13225 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 34a_200011996284_100000210312 [0,2,0,0,0,0|2,0,0]=4 13226 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 2230a_200011996284_100012276601 [0,2,0,0,0,0|2,0,0]=4 13227 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 34a_200011996284_100012276601 [0,2,0,0,0,0|2,0,0]=4 13228 B15R0.222 CC(=O)NCCCCCNCCCC(C)C 2230a_200012022750_100011214892 [0,2,0,0,0,0|2,0,0]=4 13229 B15R0.222 CC(=O)NCCCCCNCCCC(C)C 34a_200012022750_100011214892 [0,2,0,0,0,0|2,0,0]=4 13230 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 2230a_200012022750_200000718107 [0,2,0,0,0,0|2,0,0]=4 13231 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 34a_200012022750_200000718107 [0,2,0,0,0,0|2,0,0]=4 13232 B15R0.222 CC(=O)NCCCCNCCCCC(C)C 2230a_200011368371_100011216152 [0,2,0,0,0,0|2,0,0]=4 13233 B15R0.222 CC(=O)NCCCCNCCCCC(C)C 34a_200011368371_100011216152 [0,2,0,0,0,0|2,0,0]=4 13234 B15R0.222 CC(=O)NCCCNCCCCCC(C)C 34a_100000736810_100000210682 [0,2,0,0,0,0|2,0,0]=4 13235 B15R0.222 CC(=O)NCCCOCCCCCC(C)C 34a_100000752032_100000210682 [0,2,0,0,0,0|2,0,0]=4 13236 B15R0.222 CC(=O)NCCNCCCCCCC(C)C 2230a_100000211014_100000189650 [0,2,0,0,0,0|2,0,0]=4 13237 B15R0.222 CC(=O)OCCCCCNCCCC(C)C 2230a_200000737386_100009813381 [0,2,0,0,0,0|2,0,0]=4 13238 B15R0.222 CC(=O)OCCCCCNCCCC(C)C 34a_200000737386_100000033007 [0,2,0,0,0,0|2,0,0]=4 13239 B15R0.222 CC(=O)OCCCCCOCCCC(C)C 34a_100000210774_100000033007 [0,2,0,0,0,0|2,0,0]=4 13240 B15R0.222 CC(=O)OCCCCCOCCCC(C)C 7a_100000210774_100000033007 [0,2,0,0,0,0|2,0,0]=4 13241 B15R0.222 CC(=O)OCCCCCSCCCC(C)C 62a_100000033007_100011214892 [0,2,0,0,0,0|2,0,0]=4 13242 B15R0.222 CC(=O)OCCCCCSCCCC(C)C 62a_100011214892_100000033007 [0,2,0,0,0,0|2,0,0]=4 13243 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_100000033007_200000718107 [0,2,0,0,0,0|2,0,0]=4 13244 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_200000718107_100000033007 [0,2,0,0,0,0|2,0,0]=4 13245 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 34a_100000073216_100011216152 [0,2,0,0,0,0|2,0,0]=4 13246 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 34a_100011214890_100000033659 [0,2,0,0,0,0|2,0,0]=4 13247 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 7a_100000073216_100011216152 [0,2,0,0,0,0|2,0,0]=4 13248 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 7a_100011214890_100000033659 [0,2,0,0,0,0|2,0,0]=4 13249 B15R0.222 CC(=O)OCCCCSCCCCC(C)C 62a_100000033659_100011216152 [0,2,0,0,0,0|2,0,0]=4 13250 B15R0.222 CC(=O)OCCCCSCCCCC(C)C 62a_100011216152_100000033659 [0,2,0,0,0,0|2,0,0]=4 13251 B15R0.222 CC(=O)OCCCNCCCCCC(C)C 34a_100011290863_100000042594 [0,2,0,0,0,0|2,0,0]=4 13252 B15R0.222 CC(=O)OCCCOCCCCCC(C)C 34a_100011995859_100000042594 [0,2,0,0,0,0|2,0,0]=4 13253 B15R0.222 CC(=O)OCCCOCCCCCC(C)C 7a_100011995859_100000042594 [0,2,0,0,0,0|2,0,0]=4 13254 B15R0.222 CC(=O)OCCCSCCCCCC(C)C 62a_100000042594_100000210682 [0,2,0,0,0,0|2,0,0]=4 13255 B15R0.222 CC(=O)OCCCSCCCCCC(C)C 62a_100000210682_100000042594 [0,2,0,0,0,0|2,0,0]=4 13256 B15R0.222 CC(=O)OCCNCCCCCCC(C)C 34a_100000211014_100009814007 [0,2,0,0,0,0|2,0,0]=4 13257 B15R0.222 CC(=O)OCOCCCCCCCC(C)C 34a_200000210741_100009813279 [0,2,0,0,0,0|2,0,0]=4 13258 B15R0.222 CC(=O)SCCCCCCNCCC(C)C 269862a_100000704104_100000185833 [0,2,0,0,0,0|2,0,0]=4 13259 B15R0.222 CC(=O)SCCCCOCCCCC(C)C 34a_100011214890_200010402107 [0,2,0,0,0,0|2,0,0]=4 13260 B15R0.222 CC(=O)SCCCCOCCCCC(C)C 7a_100011214890_200010402107 [0,2,0,0,0,0|2,0,0]=4 13261 B15R0.222 CC(=O)SCCCCSCCCCC(C)C 62a_100011216152_200010402107 [0,2,0,0,0,0|2,0,0]=4 13262 B15R0.222 CC(=O)SCCCCSCCCCC(C)C 62a_200010402107_100011216152 [0,2,0,0,0,0|2,0,0]=4 13263 B15R0.222 CC(=O)SCCCNCCCCCC(C)C 2230a_100011290863_100000038929 [0,2,0,0,0,0|2,0,0]=4 13264 B15R0.222 CC(=O)SCCCNCCCCCC(C)C 34a_100011290863_100000038929 [0,2,0,0,0,0|2,0,0]=4 13265 B15R0.222 CC(=O)SCCCOCCCCCC(C)C 34a_100011995859_100000038929 [0,2,0,0,0,0|2,0,0]=4 13266 B15R0.222 CC(=O)SCCCOCCCCCC(C)C 7a_100011995859_100000038929 [0,2,0,0,0,0|2,0,0]=4 13267 B15R0.222 CC(=O)SCCCSCCCCCC(C)C 62a_100000038929_100000210682 [0,2,0,0,0,0|2,0,0]=4 13268 B15R0.222 CC(=O)SCCCSCCCCCC(C)C 62a_100000210682_100000038929 [0,2,0,0,0,0|2,0,0]=4 13269 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 34a_200000210741_100000731001 [0,2,0,0,0,0|1,0,0]=3 13270 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 7a_200000210741_100000744528 [0,2,0,0,0,0|1,0,0]=3 13271 B15R0.222 CC(C)CCCCCCCOCCC(C)O 34a_200000210741_100012276601 [0,2,0,0,0,0|1,0,1]=4 13272 B15R0.222 CC(C)CCCCCCCOCCC(C)O 7a_200000210741_100012276601 [0,2,0,0,0,0|1,0,1]=4 13273 B15R0.222 CC(C)CCCCCCNCCCC(=O)N 34a_100000211014_100102525003 [0,2,0,0,0,0|1,0,0]=3 13274 B15R0.222 CC(C)CCCCCCNCCCC(C)O 2230a_100000211014_200000718107 [0,2,0,0,0,0|1,0,1]=4 13275 B15R0.222 CC(C)CCCCCCNCCCC(C)O 34a_100000211014_200000718107 [0,2,0,0,0,0|1,0,1]=4 13276 B15R0.222 CC(C)CCCCCCNCCNC(=O)N 2230a_100000211014_200000034859 [0,2,0,0,0,0|2,0,0]=4 13277 B15R0.222 CC(C)CCCCCCNCCOC(=O)N 34a_100000211014_200011214921 [0,2,0,0,0,0|2,0,0]=4 13278 B15R0.222 CC(C)CCCCCNCCCCB(O)O 2230a_100011290863_200009817182 [0,2,0,0,0,0|1,0,1]=4 13279 B15R0.222 CC(C)CCCCCNCCCCB(O)O 34a_100011290863_200009817182 [0,2,0,0,0,0|1,0,1]=4 13280 B15R0.222 CC(C)CCCCCNCCCCC(=O)N 34a_100000696515_100000210682 [0,2,0,0,0,0|1,0,0]=3 13281 B15R0.222 CC(C)CCCCCNCCOCC(=O)N 2230a_100011290863_100000076697 [0,2,0,0,0,0|2,0,0]=4 13282 B15R0.222 CC(C)CCCCCNCCOCC(=O)N 34a_100011290863_100000076697 [0,2,0,0,0,0|2,0,0]=4 13283 B15R0.222 CC(C)CCCCCNCCOCC(=O)O 269956a_100000700818_100000210682 [0,2,0,0,0,0|1,0,0]=3 13284 B15R0.222 CC(C)CCCCCOCCCCB(O)O 34a_100011995859_200009817182 [0,2,0,0,0,0|1,0,1]=4 13285 B15R0.222 CC(C)CCCCCOCCCCB(O)O 7a_100011995859_200009817182 [0,2,0,0,0,0|1,0,1]=4 13286 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 34a_100012022536_100000210682 [0,2,0,0,0,0|1,0,0]=3 13287 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 7a_100012022536_100000210682 [0,2,0,0,0,0|1,0,0]=3 13288 B15R0.222 CC(C)CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210682 [0,2,0,0,0,0|1,0,1]=4 13289 B15R0.222 CC(C)CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210682 [0,2,0,0,0,0|1,0,1]=4 13290 B15R0.222 CC(C)CCCCCOCCOCC(=O)N 34a_100011995859_100000076697 [0,2,0,0,0,0|2,0,0]=4 13291 B15R0.222 CC(C)CCCCCOCCOCC(=O)N 7a_100011995859_100000076697 [0,2,0,0,0,0|2,0,0]=4 13292 B15R0.222 CC(C)CCCCCSCCCCB(O)O 62a_100000210682_200009817182 [0,2,0,0,0,0|1,0,1]=4 13293 B15R0.222 CC(C)CCCCCSCCCCB(O)O 62a_200009817182_100000210682 [0,2,0,0,0,0|1,0,1]=4 13294 B15R0.222 CC(C)CCCCCSCCOCC(=O)N 62a_100000076697_100000210682 [0,2,0,0,0,0|2,0,0]=4 13295 B15R0.222 CC(C)CCCCCSCCOCC(=O)N 62a_100000210682_100000076697 [0,2,0,0,0,0|2,0,0]=4 13296 B15R0.222 CC(C)CCCCOCCCCCB(O)O 34a_100011214890_200009817188 [0,2,0,0,0,0|1,0,1]=4 13297 B15R0.222 CC(C)CCCCOCCCCCB(O)O 7a_100011214890_200009817188 [0,2,0,0,0,0|1,0,1]=4 13298 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100000123541_100011216152 [0,2,0,0,0,0|1,0,0]=3 13299 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100011214890_100009817443 [0,2,0,0,0,0|1,0,0]=3 13300 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100000123541_100011216152 [0,2,0,0,0,0|1,0,0]=3 13301 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100011214890_100009817443 [0,2,0,0,0,0|1,0,0]=3 13302 B15R0.222 CC(C)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216152 [0,2,0,0,0,0|0,0,1]=3 13303 B15R0.222 CC(C)CCCCSCCCCCB(O)O 62a_100011216152_200009817188 [0,2,0,0,0,0|1,0,1]=4 13304 B15R0.222 CC(C)CCCCSCCCCCB(O)O 62a_200009817188_100011216152 [0,2,0,0,0,0|1,0,1]=4 13305 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100009817443_100011216152 [0,2,0,0,0,0|1,0,0]=3 13306 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100011216152_100009817443 [0,2,0,0,0,0|1,0,0]=3 13307 B15R0.222 CC(C)CCCNCCCCCCB(O)O 2230a_200000737386_100009817187 [0,2,0,0,0,0|1,0,1]=4 13308 B15R0.222 CC(C)CCCNCCCCCCB(O)O 34a_200000737386_100009817187 [0,2,0,0,0,0|1,0,1]=4 13309 B15R0.222 CC(C)CCCOCCCCCCB(O)O 34a_100000210774_100009817187 [0,2,0,0,0,0|1,0,1]=4 13310 B15R0.222 CC(C)CCCOCCCCCCB(O)O 7a_100000210774_100009817187 [0,2,0,0,0,0|1,0,1]=4 13311 B15R0.222 CC(C)CCCSCCCCCCB(O)O 62a_100009817187_100011214892 [0,2,0,0,0,0|1,0,1]=4 13312 B15R0.222 CC(C)CCCSCCCCCCB(O)O 62a_100011214892_100009817187 [0,2,0,0,0,0|1,0,1]=4 13313 B15R0.222 CC(C)CCNCCOCCOCC(=O)O 269956a_100009854275_100000210312 [0,2,0,0,0,0|2,0,0]=4 13314 B15R0.222 CC(C)CNCCOCCCCCC(=O)N 34a_100015185251_100009817443 [0,2,0,0,0,0|2,0,0]=4 13315 B15R0.222 CC(C)COCCOCCCCCC(=O)N 34a_100000703358_100009817443 [0,2,0,0,0,0|2,0,0]=4 13316 B15R0.222 CC(C)COCCOCCCCCC(=O)N 7a_100000703358_100009817443 [0,2,0,0,0,0|2,0,0]=4 13317 B15R0.222 CC(C)CSCCOCCCCCC(=O)N 34a_200000230437_100009817443 [0,2,0,0,0,0|2,0,0]=4 13318 B15R0.222 CC(C)CSCCOCCCCCC(=O)N 7a_200000230437_100009817443 [0,2,0,0,0,0|2,0,0]=4 13319 B15R0.222 CC(C)NCCCCCOCCCC(=O)N 34a_100011629493_100102525003 [0,2,0,0,0,0|2,0,0]=4 13320 B15R0.222 CC(C)NCCCOCCCCCC(=O)N 34a_100000182298_100009817443 [0,2,0,0,0,0|2,0,0]=4 13321 B15R0.222 CC(C)OCCCNCCCCCC(=O)N 2230a_100000737246_100009817443 [0,2,0,0,0,0|2,0,0]=4 13322 B15R0.222 CC(C)OCCCNCCCCCC(=O)N 34a_100000737246_100009817443 [0,2,0,0,0,0|2,0,0]=4 13323 B15R0.222 CC(O)CCCSCCCCCCB(O)O 62a_100009817187_200000718107 [0,2,0,0,0,0|1,0,1]=4 13324 B15R0.222 CC(O)CCCSCCCCCCB(O)O 62a_200000718107_100009817187 [0,2,0,0,0,0|1,0,1]=4 13325 B15R0.222 CC(O)CCNCCOCCOCC(=O)O 269956a_100009854275_100012276601 [0,2,0,0,0,0|2,0,0]=4 13326 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 2230a_100102631434_200010167045 [0,2,0,0,0,0|1,0,0]=3 13327 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 269982a_100102631434_200010167045 [0,2,0,0,0,0|1,0,0]=3 13328 B15R0.222 CN(C)CCCCSCCCCCC(=O)N 62a_100009817443_100000690147 [0,2,0,0,0,0|2,0,0]=4 13329 B15R0.3212 CCCC(CCOCCCCC(=O)C)SC 34a_100000032865_100009817362 [0,2,0,0,0,0|2,0,0]=4 13330 B15R0.3212 CCCC(CCOCCCCC(=O)C)SC 7a_100000032865_100000735457 [0,2,0,0,0,0|2,0,0]=4 13331 B15R0.4332 CCCC(C)(C)COCCCCCC(=O)N 7a_100011995695_100009817443 [0,2,0,0,0,0|2,0,0]=4 13332 B15R0.1776 CCCCCCC(C)(C)OCCCC(=O)C 7a_200011995690_100011215641 [0,2,0,0,0,0|2,0,0]=4 13333 B15R0.1776 CCCCCCC(C)(C)OCCCC(=O)N 7a_200011995690_100102525003 [0,2,0,0,0,0|2,0,0]=4 13334 B15R0.4108 C=CC(CCCCCC)OCCCC(=O)C 34a_200011215977_100000685027 [0,2,0,0,0,0|2,0,0]=4 13335 B15R0.4108 C=CC(CCCCCC)OCCCC(=O)C 7a_200011215977_100011215641 [0,2,0,0,0,0|2,0,0]=4 13336 B15R0.4108 C=CC(CCCCCC)OCCCC(=O)N 34a_200011215977_100102525003 [0,2,0,0,0,0|2,0,0]=4 13337 B15R0.4108 C=CC(CCCCCC)OCCCC(=O)N 7a_200011215977_100102525003 [0,2,0,0,0,0|2,0,0]=4 13338 B15R0.4108 CCCCCCC(CC)OCCCC(=O)C 34a_100011215785_100000685027 [0,2,0,0,0,0|2,0,0]=4 13339 B15R0.4108 CCCCCCC(CC)OCCCC(=O)C 7a_100011215785_100011215641 [0,2,0,0,0,0|2,0,0]=4 13340 B15R0.4108 CCCCCCC(CC)OCCCC(=O)N 34a_100011215785_100102525003 [0,2,0,0,0,0|2,0,0]=4 13341 B15R0.4108 CCCCCCC(CC)OCCCC(=O)N 7a_100011215785_100102525003 [0,2,0,0,0,0|2,0,0]=4 13342 B13R1.28 C=CCCCCNC1CCCCC1 2230a_100000182618_100011215482 [1,0,0,1,0,0|2,0,0]=4 13343 B13R1.28 C=CCCCCNC1CCCCC1 270004a_100000703577_100000210434 [1,0,0,1,0,0|2,0,0]=4 13344 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000182618_100011215482 [1,0,0,1,0,0|2,0,0]=4 13345 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000703577_100000210327 [1,0,0,1,0,0|2,0,0]=4 13346 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000210231_100011215482 [1,0,0,1,0,0|2,0,0]=4 13347 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000766645_100000210327 [1,0,0,1,0,0|2,0,0]=4 13348 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000210231_100011215482 [1,0,0,1,0,0|2,0,0]=4 13349 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000766645_100000210327 [1,0,0,1,0,0|2,0,0]=4 13350 B13R1.28 C=CCCCCSC1CCCCC1 62a_100000210327_100011215482 [1,0,0,1,0,0|2,0,0]=4 13351 B13R1.28 C=CCCCCSC1CCCCC1 62a_100011215482_100000210327 [1,0,0,1,0,0|2,0,0]=4 13352 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000210473_100011713584 [1,0,0,1,0,0|2,0,0]=4 13353 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000700776_100000211423 [1,0,0,1,0,0|2,0,0]=4 13354 B13R1.28 C=CCCCNCC1CCCCC1 269862a_100000700776_100000211278 [1,0,0,1,0,0|2,0,0]=4 13355 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000210473_100000757094 [1,0,0,1,0,0|2,0,0]=4 13356 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000700776_100000211423 [1,0,0,1,0,0|2,0,0]=4 13357 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000212181_100000757094 [1,0,0,1,0,0|2,0,0]=4 13358 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000758997_100000211423 [1,0,0,1,0,0|2,0,0]=4 13359 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000212181_100000757094 [1,0,0,1,0,0|2,0,0]=4 13360 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000758997_100000211423 [1,0,0,1,0,0|2,0,0]=4 13361 B13R1.28 C=CCCCSCC1CCCCC1 62a_100000211423_100000757094 [1,0,0,1,0,0|2,0,0]=4 13362 B13R1.28 C=CCCCSCC1CCCCC1 62a_100011713584_100000211423 [1,0,0,1,0,0|2,0,0]=4 13363 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100000738074_100000754431 [1,0,0,1,0,0|2,0,0]=4 13364 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100015191253_100012355289 [1,0,0,1,0,0|2,0,0]=4 13365 B13R1.28 C=CCCNCCC1CCCCC1 270004a_100015191253_100011713444 [1,0,0,1,0,0|2,0,0]=4 13366 B13R1.28 C=CCCNCCC1CCCCC1 34a_100000738074_100000754431 [1,0,0,1,0,0|2,0,0]=4 13367 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011205117_100011209188 [1,0,0,1,0,0|2,0,0]=4 13368 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011217863_100000754431 [1,0,0,1,0,0|2,0,0]=4 13369 B13R1.28 C=CCCOCCC1CCCCC1 7a_100011217863_100000754431 [1,0,0,1,0,0|2,0,0]=4 13370 B13R1.28 C=CCCSCCC1CCCCC1 62a_100000754431_100012355289 [1,0,0,1,0,0|2,0,0]=4 13371 B13R1.28 C=CCCSCCC1CCCCC1 62a_100012355289_100000754431 [1,0,0,1,0,0|2,0,0]=4 13372 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100011211642_100000210623 [1,0,0,1,0,0|2,0,0]=4 13373 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100020586998_100011713725 [1,0,0,1,0,0|2,0,0]=4 13374 B13R1.28 C=CCNCCCC1CCCCC1 34a_100011211642_100015514636 [1,0,0,1,0,0|2,0,0]=4 13375 B13R1.28 C=CCOCCCC1CCCCC1 34a_100000198086_100015514636 [1,0,0,1,0,0|2,0,0]=4 13376 B13R1.28 C=CCOCCCC1CCCCC1 34a_200000210373_100011713725 [1,0,0,1,0,0|2,0,0]=4 13377 B13R1.28 C=CCOCCCC1CCCCC1 7a_100000198086_100015514636 [1,0,0,1,0,0|2,0,0]=4 13378 B13R1.28 C=CCSCCCC1CCCCC1 62a_100000210623_100011713725 [1,0,0,1,0,0|2,0,0]=4 13379 B13R1.28 C=CCSCCCC1CCCCC1 62a_100011713725_100000210623 [1,0,0,1,0,0|2,0,0]=4 13380 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [1,0,0,1,0,0|2,0,0]=4 13381 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [1,0,0,1,0,0|2,0,0]=4 13382 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [1,0,0,1,0,0|2,0,0]=4 13383 B13R1.28 CCCCCCOC1CCCCO1 34a_100000033831_100000210314 [1,0,0,1,0,0|1,0,1]=4 13384 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [1,0,0,1,0,0|2,0,0]=4 13385 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [1,0,0,1,0,0|2,0,0]=4 13386 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000174945_100000210326 [1,0,0,1,0,0|1,0,1]=4 13387 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000209983_100000211543 [1,0,0,1,0,0|1,0,1]=4 13388 B13R1.28 CCCCCNCC1CCCCO1 34a_100000174945_100000718602 [1,0,0,1,0,0|1,0,1]=4 13389 B13R1.28 CCCCCOCC1CCC=CO1 34a_100011217868_100000718602 [1,0,0,1,0,0|1,0,1]=4 13390 B13R1.28 CCCCCOCC1CCCCO1 34a_100000210253_100000211543 [1,0,0,1,0,0|1,0,1]=4 13391 B13R1.28 CCCCCOCC1CCCCO1 34a_100000211370_100000718602 [1,0,0,1,0,0|1,0,1]=4 13392 B13R1.28 CCCCCOCC1CCCCO1 7a_100000210253_100000211543 [1,0,0,1,0,0|1,0,1]=4 13393 B13R1.28 CCCCCOCC1CCCCO1 7a_100000211370_100000210326 [1,0,0,1,0,0|1,0,1]=4 13394 B13R1.28 CCCCCSCC1CCCCO1 62a_100000210326_100000211543 [1,0,0,1,0,0|1,0,1]=4 13395 B13R1.28 CCCCCSCC1CCCCO1 62a_100000211543_100000210326 [1,0,0,1,0,0|1,0,1]=4 13396 B13R1.28 CCCCNCCC1CCCCO1 2230a_100015183643_100000210211 [1,0,0,1,0,0|1,0,1]=4 13397 B13R1.28 CCCCNCCC1CCCCO1 34a_100015183643_100000210210 [1,0,0,1,0,0|1,0,1]=4 13398 B13R1.28 O=CCCCCCN1CCCOC1 2230a_100000131196_100000139337 [1,0,0,1,0,0|2,0,0]=4 13399 B13R1.28 O=CCCCCCN1CCCOC1 269982a_100000131196_100000139337 [1,0,0,1,0,0|2,0,0]=4 13400 B13R1.28 O=CCCCCCN1CCOCC1 2230a_100015191051_100000139337 [1,0,0,1,0,0|2,0,0]=4 13401 B13R1.28 O=CCCCCCN1CCOCC1 269982a_100015191051_100000139337 [1,0,0,1,0,0|2,0,0]=4 13402 B13R1.28 O=CCCCCCN1CCSCC1 2230a_100000737611_100000139337 [1,0,0,1,0,0|2,0,0]=4 13403 B13R1.28 O=CCCCCCN1CCSCC1 269982a_100000737611_100000139337 [1,0,0,1,0,0|2,0,0]=4 13404 B13R1.28 O=CCCCCNC1CCCCC1 2230a_100000182618_100000139335 [1,0,0,1,0,0|1,0,0]=3 13405 B13R1.28 O=CCCCCNC1CCCOC1 2230a_100000719290_100000139335 [1,0,0,1,0,0|2,0,0]=4 13406 B13R1.28 O=CCCCCNC1CCOCC1 2230a_100000741149_100000139335 [1,0,0,1,0,0|2,0,0]=4 13407 B13R1.28 O=CCCCCNC1CCSCC1 2230a_100000748639_100000139335 [1,0,0,1,0,0|2,0,0]=4 13408 B13R1.28 O=CCCCCOC1CCCCC1 7a_100000210231_100000139335 [1,0,0,1,0,0|1,0,0]=3 13409 B13R1.28 O=CCCCCOC1CCCSC1 7a_100015962668_100000139335 [1,0,0,1,0,0|2,0,0]=4 13410 B13R1.28 O=CCCCCOC1CCSCC1 7a_100000731022_100000139335 [1,0,0,1,0,0|2,0,0]=4 13411 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000139335_100000210327 [1,0,0,1,0,0|1,0,0]=3 13412 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000210327_100000139335 [1,0,0,1,0,0|1,0,0]=3 13413 B13R1.28 O=CCCCCSC1CCCOC1 62a_100000139335_100000693364 [1,0,0,1,0,0|2,0,0]=4 13414 B13R1.28 O=CCCCCSC1CCOCC1 62a_100000139335_100011324220 [1,0,0,1,0,0|2,0,0]=4 13415 B13R1.28 O=CCCCCSC1CCSCC1 62a_100000139335_100000069128 [1,0,0,1,0,0|2,0,0]=4 13416 B13R1.28 O=CCCCNCC1CCCCC1 2230a_100000210473_200011292268 [1,0,0,1,0,0|1,0,0]=3 13417 B13R1.28 O=CCCCNCC1CCCCO1 2230a_100000174945_200011292268 [1,0,0,1,0,0|2,0,0]=4 13418 B13R1.28 O=CCCCNCC1CCCOC1 2230a_100000720124_200011292268 [1,0,0,1,0,0|2,0,0]=4 13419 B13R1.28 O=CCCCNCC1CCOCC1 2230a_100000746373_200011292268 [1,0,0,1,0,0|2,0,0]=4 13420 B13R1.28 O=CCCCNCC1CCSCC1 2230a_100015188806_200011292268 [1,0,0,1,0,0|2,0,0]=4 13421 B13R1.28 O=CCCCOCC1CCCCC1 7a_100000212181_200011292268 [1,0,0,1,0,0|1,0,0]=3 13422 B13R1.28 O=CCCCOCC1CCCCO1 7a_100000211370_200011292268 [1,0,0,1,0,0|2,0,0]=4 13423 B13R1.28 O=CCCCOCC1CCSCC1 7a_100000070558_200011292268 [1,0,0,1,0,0|2,0,0]=4 13424 B13R1.28 O=CCCCSCC1CCCCC1 62a_100000211423_200011292268 [1,0,0,1,0,0|1,0,0]=3 13425 B13R1.28 O=CCCCSCC1CCCCC1 62a_200011292268_100000211423 [1,0,0,1,0,0|1,0,0]=3 13426 B13R1.28 O=CCCCSCC1CCCCO1 62a_100000211543_200011292268 [1,0,0,1,0,0|2,0,0]=4 13427 B13R1.28 O=CCCCSCC1CCCCO1 62a_200011292268_100000211543 [1,0,0,1,0,0|2,0,0]=4 13428 B13R1.28 O=CCCCSCC1CCCOC1 62a_100000741521_200011292268 [1,0,0,1,0,0|2,0,0]=4 13429 B13R1.28 O=CCCCSCC1CCCOC1 62a_200011292268_100000741521 [1,0,0,1,0,0|2,0,0]=4 13430 B13R1.28 O=CCCCSCC1CCOCC1 62a_100000754603_200011292268 [1,0,0,1,0,0|2,0,0]=4 13431 B13R1.28 O=CCCCSCC1CCOCC1 62a_200011292268_100000749018 [1,0,0,1,0,0|2,0,0]=4 13432 B13R1.28 O=CCNCCCC1CCCCC1 2230a_100011211642_200015260668 [1,0,0,1,0,0|1,0,0]=3 13433 B13R1.28 O=CCNCCCC1CCCCC1 34a_100011211642_200009817547 [1,0,0,1,0,0|1,0,0]=3 13434 B13R1.28 O=CCNCCOC1CCCCC1 34a_100015206981_200009817547 [1,0,0,1,0,0|2,0,0]=4 13435 B13R1.28 O=CCOCCCC1CCCCC1 34a_100000198086_200009817547 [1,0,0,1,0,0|1,0,0]=3 13436 B13R1.28 O=CCOCCCC1CCCCC1 7a_100000198086_200015260668 [1,0,0,1,0,0|1,0,0]=3 13437 B13R1.28 O=CCOCCCC1CCCCN1 34a_100011934581_200009817547 [1,0,0,1,0,0|2,0,0]=4 13438 B13R1.28 O=CCOCCCC1CCCNC1 34a_100150707839_200009817547 [1,0,0,1,0,0|2,0,0]=4 13439 B13R1.28 O=CCOCCCC1CCNCC1 34a_100016988962_200009817547 [1,0,0,1,0,0|2,0,0]=4 13440 B13R1.28 O=CCOCCCN1CCCCC1 34a_100000212458_200009817547 [1,0,0,1,0,0|2,0,0]=4 13441 B13R1.28 O=CCOCCNC1CCCCC1 34a_100000200466_200009817547 [1,0,0,1,0,0|2,0,0]=4 13442 B13R1.28 O=CCOCCOC1CCCCC1 34a_100011249652_200009817547 [1,0,0,1,0,0|2,0,0]=4 13443 B13R1.28 O=CCOCCOC1CCCCC1 7a_100011249652_200015260668 [1,0,0,1,0,0|2,0,0]=4 13444 B13R1.28 O=CCSCCCC1CCCCC1 62a_100011713725_200015260668 [1,0,0,1,0,0|1,0,0]=3 13445 B13R1.28 O=CCSCCCC1CCCCC1 62a_200015260668_100011713725 [1,0,0,1,0,0|1,0,0]=3 13446 B13R1.28 O=CCSCCCN1CCCCC1 62a_100132302099_200015260668 [1,0,0,1,0,0|2,0,0]=4 13447 B13R1.28 O=CCSCCCN1CCCCC1 62a_200015260668_100000007876 [1,0,0,1,0,0|2,0,0]=4 13448 B13R1.28 O=CCSCCOC1CCCCC1 62a_100011211530_200015260668 [1,0,0,1,0,0|2,0,0]=4 13449 B13R1.28 O=CCSCCOC1CCCCC1 62a_200015260668_100011211530 [1,0,0,1,0,0|2,0,0]=4 13450 B13R1.28 OCCCCCNC1CCCCC1 2230a_100000182618_100000746330 [1,0,0,1,0,0|1,0,1]=4 13451 B13R1.28 OCCCCCNC1CCCCC1 270004a_100000762737_100000210434 [1,0,0,1,0,0|1,0,1]=4 13452 B13R1.28 OCCCCCNC1CCCCC1 34a_100000182618_100000746330 [1,0,0,1,0,0|1,0,1]=4 13453 B13R1.28 OCCCCCNC1CCCCC1 34a_100000762737_100000210327 [1,0,0,1,0,0|1,0,1]=4 13454 B13R1.28 OCCCCCOC1CCCCC1 34a_100000210231_100000746330 [1,0,0,1,0,0|1,0,1]=4 13455 B13R1.28 OCCCCCOC1CCCCC1 7a_100000210231_100000746330 [1,0,0,1,0,0|1,0,1]=4 13456 B13R1.28 OCCCCCSC1CCCCC1 62a_100000210327_100000746330 [1,0,0,1,0,0|1,0,1]=4 13457 B13R1.28 OCCCCCSC1CCCCC1 62a_100000746330_100000210327 [1,0,0,1,0,0|1,0,1]=4 13458 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000210473_100000210776 [1,0,0,1,0,0|1,0,1]=4 13459 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000750430_100000211423 [1,0,0,1,0,0|1,0,1]=4 13460 B13R1.28 OCCCCNCC1CCCCC1 269862a_100000750430_100000211278 [1,0,0,1,0,0|1,0,1]=4 13461 B13R1.28 OCCCCNCC1CCCCC1 34a_100000210473_100011216708 [1,0,0,1,0,0|1,0,1]=4 13462 B13R1.28 OCCCCNCC1CCCCC1 34a_100000750430_100000211423 [1,0,0,1,0,0|1,0,1]=4 13463 B13R1.28 OCCCCOCC1CCCCC1 34a_100000212181_100011216708 [1,0,0,1,0,0|1,0,1]=4 13464 B13R1.28 OCCCCOCC1CCCCC1 7a_100000212181_100000210776 [1,0,0,1,0,0|1,0,1]=4 13465 B13R1.28 OCCCCSCC1CCCCC1 62a_100000210776_100000211423 [1,0,0,1,0,0|1,0,1]=4 13466 B13R1.28 OCCCCSCC1CCCCC1 62a_100000211423_100000210776 [1,0,0,1,0,0|1,0,1]=4 13467 B13R1.28 OCCCNCCC1CCCCC1 2230a_100000738074_100000230001 [1,0,0,1,0,0|1,0,1]=4 13468 B13R1.28 OCCCNCCC1CCCCC1 270004a_100000182051_100011713444 [1,0,0,1,0,0|1,0,1]=4 13469 B13R1.28 OCCCNCCC1CCCCC1 34a_100000738074_100000230001 [1,0,0,1,0,0|1,0,1]=4 13470 B13R1.28 OCCCOCCC1CCCCC1 34a_100011217863_100000230001 [1,0,0,1,0,0|1,0,1]=4 13471 B13R1.28 OCCCOCCC1CCCCC1 7a_100011217863_100011215043 [1,0,0,1,0,0|1,0,1]=4 13472 B13R1.28 OCCCSCCC1CCCCC1 62a_100011215043_100012355289 [1,0,0,1,0,0|1,0,1]=4 13473 B13R1.28 OCCCSCCC1CCCCC1 62a_100012355289_100011215043 [1,0,0,1,0,0|1,0,1]=4 13474 B13R1.28 OCCNCCCC1CCCCC1 2230a_100011211642_100000211926 [1,0,0,1,0,0|1,0,1]=4 13475 B13R1.28 OCCNCCCC1CCCCC1 2230a_100016997473_100011713725 [1,0,0,1,0,0|1,0,1]=4 13476 B13R1.28 OCCNCCCC1CCCCC1 34a_100011211642_100000211926 [1,0,0,1,0,0|1,0,1]=4 13477 B13R1.28 OCCNCCCC1CCCCC1 34a_100016990907_100011713725 [1,0,0,1,0,0|1,0,1]=4 13478 B13R1.28 OCCOCCCC1CCCCC1 34a_100000198086_100000211926 [1,0,0,1,0,0|1,0,1]=4 13479 B13R1.28 OCCOCCCC1CCCCC1 7a_100000198086_100000211926 [1,0,0,1,0,0|1,0,1]=4 13480 B13R1.28 OCCSCCCC1CCCCC1 62a_100000211926_100011713725 [1,0,0,1,0,0|1,0,1]=4 13481 B13R1.28 OCCSCCCC1CCCCC1 62a_100011713725_100000211926 [1,0,0,1,0,0|1,0,1]=4 13482 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [1,0,0,1,0,0|1,0,0]=3 13483 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000102301_100000735217 [1,0,0,1,0,0|2,0,0]=4 13484 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000698827_100000210211 [1,0,0,1,0,0|2,0,0]=4 13485 B13R1.34 CCCCNC1CCCCNC1=O 34a_100000698827_100000210210 [1,0,0,1,0,0|2,0,0]=4 13486 B13R1.34 CCCCNC1CCCCNC1=O 7a_106832991798_100000735217 [1,0,0,1,0,0|2,0,0]=4 13487 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [1,0,0,1,0,0|1,0,0]=3 13488 B13R1.34 CCCCOC1CCCCNC1=O 7a_100000210227_100000735217 [1,0,0,1,0,0|2,0,0]=4 13489 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [1,0,0,1,0,0|1,0,0]=3 13490 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [1,0,0,1,0,0|1,0,0]=3 13491 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000210211_100000735217 [1,0,0,1,0,0|2,0,0]=4 13492 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000735217_100000210210 [1,0,0,1,0,0|2,0,0]=4 13493 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000243696_100000739092 [1,0,0,1,0,0|2,0,0]=4 13494 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000739092_100000243696 [1,0,0,1,0,0|2,0,0]=4 13495 B13R1.34 CNCCCN1CCCCCC1=O 2230a_100000195386_200000210301 [1,0,0,1,0,0|2,0,0]=4 13496 B13R1.34 CNCCCN1CCCCCC1=O 34a_100000195386_200000210301 [1,0,0,1,0,0|2,0,0]=4 13497 B13R1.34 COCCSC1CCCCCC1=O 62a_100000233755_100000243696 [1,0,0,1,0,0|2,0,0]=4 13498 B13R1.34 COCCSC1CCCCCC1=O 62a_100000243696_100000233755 [1,0,0,1,0,0|2,0,0]=4 13499 B13R1.34 CSCCOC1CCCCCC1=O 7a_100000230434_100000243696 [1,0,0,1,0,0|2,0,0]=4 13500 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000212216_100000243696 [1,0,0,1,0,0|2,0,0]=4 13501 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000243696_100000751147 [1,0,0,1,0,0|2,0,0]=4 13502 B13R1.34 O=C1CCCCCC1SCCCF 62a_100000243696_100011934791 [1,0,0,1,0,0|2,0,0]=4 13503 B13R1.34 O=C1CCCCCC1SCCCF 62a_100011934791_100000243696 [1,0,0,1,0,0|2,0,0]=4 13504 B13R1.34 O=C1CCCCCC1SCCCO 62a_100000243696_100011215043 [1,0,0,1,0,0|2,0,0]=4 13505 B13R1.34 O=C1CCCCCC1SCCCO 62a_100011215043_100000243696 [1,0,0,1,0,0|2,0,0]=4 13506 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 2230a_100000195386_200025704644 [1,0,0,1,0,0|2,0,0]=4 13507 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 34a_100000195386_200025704644 [1,0,0,1,0,0|2,0,0]=4 13508 B13R1.84 C=CCCCN1CCCCC1CC 2230a_100000210034_100011713584 [1,0,0,1,0,0|2,0,0]=4 13509 B13R1.84 C=CCCCN1CCCCC1CC 269982a_100000210034_100000757094 [1,0,0,1,0,0|2,0,0]=4 13510 B13R1.84 C=CCCCN1CCCCC1CC 34a_100000210034_100000757094 [1,0,0,1,0,0|2,0,0]=4 13511 B13R1.84 C=CCCNC1CCCCC1CC 269862a_100015191253_100000757040 [1,0,0,1,0,0|2,0,0]=4 13512 B13R1.84 C=CCCNC1CCCCC1CC 270004a_100015191253_100000757040 [1,0,0,1,0,0|2,0,0]=4 13513 B13R1.84 C=CCCOC1CCCCC1CC 34a_100000210738_100000754431 [1,0,0,1,0,0|2,0,0]=4 13514 B13R1.84 C=CCCOC1CCCCC1CC 7a_100000210738_100000754431 [1,0,0,1,0,0|2,0,0]=4 13515 B13R1.84 CCC1CCCCC1NCCCO 269862a_100000182051_100000757040 [1,0,0,1,0,0|1,0,1]=4 13516 B13R1.84 CCC1CCCCC1NCCCO 270004a_100000182051_100000757040 [1,0,0,1,0,0|1,0,1]=4 13517 B13R1.84 CCC1CCCCC1OCCCO 34a_100000210738_100000230001 [1,0,0,1,0,0|1,0,1]=4 13518 B13R1.84 CCC1CCCCC1OCCCO 7a_100000210738_100011215043 [1,0,0,1,0,0|1,0,1]=4 13519 B13R1.84 CCC1CCCCN1CCCC=O 2230a_100000210034_200011292268 [1,0,0,1,0,0|1,0,0]=3 13520 B13R1.84 CCC1CCCCN1CCCC=O 269982a_100000210034_200011292268 [1,0,0,1,0,0|1,0,0]=3 13521 B13R1.84 CCC1CCCCN1CCCCO 2230a_100000210034_100000210776 [1,0,0,1,0,0|1,0,1]=4 13522 B13R1.84 CCC1CCCCN1CCCCO 269982a_100000210034_100000210776 [1,0,0,1,0,0|1,0,1]=4 13523 B13R1.84 CCC1CCCCN1CCCCO 34a_100000210034_100011216708 [1,0,0,1,0,0|1,0,1]=4 13524 B13R1.84 CCCCCN1CCCCC1CO 2230a_100000210821_100000210326 [1,0,0,1,0,0|1,0,1]=4 13525 B13R1.84 CCCCCN1CCCCC1CO 269982a_100000210821_100000210215 [1,0,0,1,0,0|1,0,1]=4 13526 B13R1.84 CCCCCN1CCCCC1CO 34a_100000210821_100000718602 [1,0,0,1,0,0|1,0,1]=4 13527 B13R1.84 CCCCNC1CCCCC1CO 270004a_100000102301_100009861125 [1,0,0,1,0,0|1,0,1]=4 13528 B13R1.84 CCN1CCCCC1CNCC=O 2230a_100000754393_200015260668 [1,0,0,1,0,0|2,0,0]=4 13529 B13R1.84 CCN1CCCCC1CNCC=O 34a_100000754393_200009817547 [1,0,0,1,0,0|2,0,0]=4 13530 B13R1.84 CCN1CCCCC1COCC=O 34a_100000225091_200009817547 [1,0,0,1,0,0|2,0,0]=4 13531 B13R1.84 CCN1CCCCC1COCC=O 7a_100000225091_200015260668 [1,0,0,1,0,0|2,0,0]=4 13532 B13R1.84 CC[C@H]1COCCN1CCCC=O 2230a_100016988097_200011292268 [1,0,0,1,0,0|2,0,0]=4 13533 B13R1.84 CC[C@H]1COCCN1CCCC=O 269982a_100016988097_200011292268 [1,0,0,1,0,0|2,0,0]=4 13534 B13R1.84 O=CCCCN1CCCCC1CO 2230a_100000210821_200011292268 [1,0,0,1,0,0|2,0,0]=4 13535 B13R1.84 O=CCCCN1CCCCC1CO 269982a_100000210821_200011292268 [1,0,0,1,0,0|2,0,0]=4 13536 B13R1.119 C=CCCCCCCN1CCCC1 2230a_100000188435_100011215473 [1,0,0,1,0,0|2,0,0]=4 13537 B13R1.119 C=CCCCCCCN1CCCC1 269982a_100000188435_100011215473 [1,0,0,1,0,0|2,0,0]=4 13538 B13R1.119 C=CCCCCCNC1CCCC1 2230a_100000211070_100000700193 [1,0,0,1,0,0|2,0,0]=4 13539 B13R1.119 C=CCCCCCNC1CCCC1 34a_100000211070_100000700193 [1,0,0,1,0,0|2,0,0]=4 13540 B13R1.119 C=CCCCCCOC1CCCC1 34a_100000210269_100000700193 [1,0,0,1,0,0|2,0,0]=4 13541 B13R1.119 C=CCCCCCOC1CCCC1 34a_100011216702_100000179811 [1,0,0,1,0,0|2,0,0]=4 13542 B13R1.119 C=CCCCCCOC1CCCC1 7a_100000210269_100000700193 [1,0,0,1,0,0|2,0,0]=4 13543 B13R1.119 C=CCCCCCOC1CCCC1 7a_100011216702_100000179811 [1,0,0,1,0,0|2,0,0]=4 13544 B13R1.119 C=CCCCCCSC1CCCC1 62a_100000700193_100000179811 [1,0,0,1,0,0|2,0,0]=4 13545 B13R1.119 C=CCCCCCSC1CCCC1 62a_100011217020_100000700193 [1,0,0,1,0,0|2,0,0]=4 13546 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000703577_100000740388 [1,0,0,1,0,0|2,0,0]=4 13547 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000737975_100011215482 [1,0,0,1,0,0|2,0,0]=4 13548 B13R1.119 C=CCCCCNCC1CCCC1 269862a_100000703577_100000746403 [1,0,0,1,0,0|2,0,0]=4 13549 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000703577_100000740388 [1,0,0,1,0,0|2,0,0]=4 13550 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000737975_100011215482 [1,0,0,1,0,0|2,0,0]=4 13551 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000742336_100011215482 [1,0,0,1,0,0|2,0,0]=4 13552 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000766645_100000740388 [1,0,0,1,0,0|2,0,0]=4 13553 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000742336_100011215482 [1,0,0,1,0,0|2,0,0]=4 13554 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000766645_100000740388 [1,0,0,1,0,0|2,0,0]=4 13555 B13R1.119 C=CCCCCSCC1CCCC1 62a_100000740388_100011215482 [1,0,0,1,0,0|2,0,0]=4 13556 B13R1.119 C=CCCCCSCC1CCCC1 62a_100011215482_100000740388 [1,0,0,1,0,0|2,0,0]=4 13557 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000700776_100000760354 [1,0,0,1,0,0|2,0,0]=4 13558 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000739158_100011713584 [1,0,0,1,0,0|2,0,0]=4 13559 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000700776_100000760354 [1,0,0,1,0,0|2,0,0]=4 13560 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000739158_100000757094 [1,0,0,1,0,0|2,0,0]=4 13561 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000749090_100000757094 [1,0,0,1,0,0|2,0,0]=4 13562 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000758997_100000760354 [1,0,0,1,0,0|2,0,0]=4 13563 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000749090_100000757094 [1,0,0,1,0,0|2,0,0]=4 13564 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000758997_100000760354 [1,0,0,1,0,0|2,0,0]=4 13565 B13R1.119 C=CCCCSCCC1CCCC1 62a_100000760354_100000757094 [1,0,0,1,0,0|2,0,0]=4 13566 B13R1.119 C=CCCCSCCC1CCCC1 62a_100011713584_100000760354 [1,0,0,1,0,0|2,0,0]=4 13567 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100000736752_100000754431 [1,0,0,1,0,0|2,0,0]=4 13568 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100015191253_100011713738 [1,0,0,1,0,0|2,0,0]=4 13569 B13R1.119 C=CCCNCCCC1CCCC1 34a_100000736752_100000754431 [1,0,0,1,0,0|2,0,0]=4 13570 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011205117_100011713738 [1,0,0,1,0,0|2,0,0]=4 13571 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011215328_100000754431 [1,0,0,1,0,0|2,0,0]=4 13572 B13R1.119 C=CCCOCCCC1CCCC1 7a_100011215328_100000754431 [1,0,0,1,0,0|2,0,0]=4 13573 B13R1.119 C=CCCSCCCC1CCCC1 62a_100000754431_100011713738 [1,0,0,1,0,0|2,0,0]=4 13574 B13R1.119 C=CCCSCCCC1CCCC1 62a_100011713738_100000754431 [1,0,0,1,0,0|2,0,0]=4 13575 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [1,0,0,1,0,0|1,0,1]=4 13576 B13R1.119 CCCCCCNCC1CCCO1 2230a_100000210581_100000203698 [1,0,0,1,0,0|1,0,1]=4 13577 B13R1.119 CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210314 [1,0,0,1,0,0|1,0,1]=4 13578 B13R1.119 CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210314 [1,0,0,1,0,0|1,0,1]=4 13579 B13R1.119 CCCCCCOCC1CCCO1 34a_100000210270_100000210314 [1,0,0,1,0,0|1,0,1]=4 13580 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210259_100000203698 [1,0,0,1,0,0|1,0,1]=4 13581 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210270_100000210314 [1,0,0,1,0,0|1,0,1]=4 13582 B13R1.119 CCCCCCSCC1CCCO1 62a_100000203698_100000210757 [1,0,0,1,0,0|1,0,1]=4 13583 B13R1.119 CCCCCCSCC1CCCO1 62a_100000210314_100000203698 [1,0,0,1,0,0|1,0,1]=4 13584 B13R1.119 O=CCCCCCNC1CCCC1 2230a_100000211070_100000139337 [1,0,0,1,0,0|1,0,0]=3 13585 B13R1.119 O=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139337 [1,0,0,1,0,0|2,0,0]=4 13586 B13R1.119 O=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000139337 [1,0,0,1,0,0|2,0,0]=4 13587 B13R1.119 O=CCCCCCOC1CCCC1 7a_100000210269_100000139337 [1,0,0,1,0,0|1,0,0]=3 13588 B13R1.119 O=CCCCCCOC1CCSC1 7a_100011232664_100000139337 [1,0,0,1,0,0|2,0,0]=4 13589 B13R1.119 O=CCCCCCSC1CCCC1 62a_100000139337_100000179811 [1,0,0,1,0,0|1,0,0]=3 13590 B13R1.119 O=CCCCCCSC1CCCC1 62a_100011217020_100000139337 [1,0,0,1,0,0|1,0,0]=3 13591 B13R1.119 O=CCCCCCSC1CCOC1 62a_100000139337_100000690089 [1,0,0,1,0,0|2,0,0]=4 13592 B13R1.119 O=CCCCCNCC1CCCC1 2230a_100000737975_100000139335 [1,0,0,1,0,0|1,0,0]=3 13593 B13R1.119 O=CCCCCNCC1CCOC1 2230a_100000737293_100000139335 [1,0,0,1,0,0|2,0,0]=4 13594 B13R1.119 O=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139335 [1,0,0,1,0,0|2,0,0]=4 13595 B13R1.119 O=CCCCCOCC1CCCC1 7a_100000742336_100000139335 [1,0,0,1,0,0|1,0,0]=3 13596 B13R1.119 O=CCCCCOCC1CCCO1 7a_100000210270_100000139335 [1,0,0,1,0,0|2,0,0]=4 13597 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000139335_100000740388 [1,0,0,1,0,0|1,0,0]=3 13598 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000740388_100000139335 [1,0,0,1,0,0|1,0,0]=3 13599 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000139335_100000203698 [1,0,0,1,0,0|2,0,0]=4 13600 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000203698_100000139335 [1,0,0,1,0,0|2,0,0]=4 13601 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000139335_100000702531 [1,0,0,1,0,0|2,0,0]=4 13602 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000702531_100000139335 [1,0,0,1,0,0|2,0,0]=4 13603 B13R1.119 O=CCCCNCCC1CCCC1 2230a_100000739158_200011292268 [1,0,0,1,0,0|1,0,0]=3 13604 B13R1.119 O=CCCCOCCC1CCCC1 7a_100000749090_200011292268 [1,0,0,1,0,0|1,0,0]=3 13605 B13R1.119 O=CCCCSCCC1CCCC1 62a_100000760354_200011292268 [1,0,0,1,0,0|1,0,0]=3 13606 B13R1.119 O=CCCCSCCC1CCCC1 62a_200011292268_100000760354 [1,0,0,1,0,0|1,0,0]=3 13607 B13R1.119 O=CCCCSCCN1CCCC1 62a_100000700749_200011292268 [1,0,0,1,0,0|2,0,0]=4 13608 B13R1.119 O=CCCCSCCN1CCCC1 62a_200011292268_100000004467 [1,0,0,1,0,0|2,0,0]=4 13609 B13R1.119 O=CCNCCCOC1CCCC1 34a_100000747560_200009817547 [1,0,0,1,0,0|2,0,0]=4 13610 B13R1.119 OCCCCCCCN1CCCC1 2230a_100000188435_100000760002 [1,0,0,1,0,0|1,0,1]=4 13611 B13R1.119 OCCCCCCCN1CCCC1 269982a_100000188435_100000760002 [1,0,0,1,0,0|1,0,1]=4 13612 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000211070_100000766143 [1,0,0,1,0,0|1,0,1]=4 13613 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000686447_100000179811 [1,0,0,1,0,0|1,0,1]=4 13614 B13R1.119 OCCCCCCNC1CCCC1 270004a_100000686447_100000210133 [1,0,0,1,0,0|1,0,1]=4 13615 B13R1.119 OCCCCCCNC1CCCC1 34a_100000211070_100000766143 [1,0,0,1,0,0|1,0,1]=4 13616 B13R1.119 OCCCCCCNC1CCCC1 34a_100000686447_100000179811 [1,0,0,1,0,0|1,0,1]=4 13617 B13R1.119 OCCCCCCOC1CCCC1 34a_100000210269_100000766143 [1,0,0,1,0,0|1,0,1]=4 13618 B13R1.119 OCCCCCCOC1CCCC1 7a_100000210269_100000766143 [1,0,0,1,0,0|1,0,1]=4 13619 B13R1.119 OCCCCCCSC1CCCC1 62a_100000766143_100000179811 [1,0,0,1,0,0|1,0,1]=4 13620 B13R1.119 OCCCCCCSC1CCCC1 62a_100011217020_100000766143 [1,0,0,1,0,0|1,0,1]=4 13621 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000737975_100000746330 [1,0,0,1,0,0|1,0,1]=4 13622 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000762737_100000740388 [1,0,0,1,0,0|1,0,1]=4 13623 B13R1.119 OCCCCCNCC1CCCC1 269862a_100000762737_100000746403 [1,0,0,1,0,0|1,0,1]=4 13624 B13R1.119 OCCCCCNCC1CCCC1 34a_100000737975_100000746330 [1,0,0,1,0,0|1,0,1]=4 13625 B13R1.119 OCCCCCNCC1CCCC1 34a_100000762737_100000740388 [1,0,0,1,0,0|1,0,1]=4 13626 B13R1.119 OCCCCCOCC1CCCC1 34a_100000742336_100000746330 [1,0,0,1,0,0|1,0,1]=4 13627 B13R1.119 OCCCCCOCC1CCCC1 7a_100000742336_100000746330 [1,0,0,1,0,0|1,0,1]=4 13628 B13R1.119 OCCCCCSCC1CCCC1 62a_100000740388_100000746330 [1,0,0,1,0,0|1,0,1]=4 13629 B13R1.119 OCCCCCSCC1CCCC1 62a_100000746330_100000740388 [1,0,0,1,0,0|1,0,1]=4 13630 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000739158_100000210776 [1,0,0,1,0,0|1,0,1]=4 13631 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000750430_100000760354 [1,0,0,1,0,0|1,0,1]=4 13632 B13R1.119 OCCCCNCCC1CCCC1 34a_100000739158_100011216708 [1,0,0,1,0,0|1,0,1]=4 13633 B13R1.119 OCCCCNCCC1CCCC1 34a_100000750430_100000760354 [1,0,0,1,0,0|1,0,1]=4 13634 B13R1.119 OCCCCOCCC1CCCC1 34a_100000749090_100011216708 [1,0,0,1,0,0|1,0,1]=4 13635 B13R1.119 OCCCCOCCC1CCCC1 7a_100000749090_100000210776 [1,0,0,1,0,0|1,0,1]=4 13636 B13R1.119 OCCCCSCCC1CCCC1 62a_100000210776_100000760354 [1,0,0,1,0,0|1,0,1]=4 13637 B13R1.119 OCCCCSCCC1CCCC1 62a_100000760354_100000210776 [1,0,0,1,0,0|1,0,1]=4 13638 B13R1.119 OCCCNCCCC1CCCC1 2230a_100000736752_100000230001 [1,0,0,1,0,0|1,0,1]=4 13639 B13R1.119 OCCCNCCCC1CCCC1 34a_100000736752_100000230001 [1,0,0,1,0,0|1,0,1]=4 13640 B13R1.119 OCCCOCCCC1CCCC1 34a_100011215328_100000230001 [1,0,0,1,0,0|1,0,1]=4 13641 B13R1.119 OCCCOCCCC1CCCC1 7a_100011215328_100011215043 [1,0,0,1,0,0|1,0,1]=4 13642 B13R1.119 OCCCSCCCC1CCCC1 62a_100011215043_100011713738 [1,0,0,1,0,0|1,0,1]=4 13643 B13R1.119 OCCCSCCCC1CCCC1 62a_100011713738_100011215043 [1,0,0,1,0,0|1,0,1]=4 13644 B13R1.137 C=CCCCCN1CCCC1CC 2230a_100000754278_100011215482 [1,0,0,1,0,0|2,0,0]=4 13645 B13R1.137 C=CCCCCN1CCCC1CC 269982a_100000754278_100011215482 [1,0,0,1,0,0|2,0,0]=4 13646 B13R1.137 C=CCCCCN1CCCC1CC 34a_100000754278_100011215482 [1,0,0,1,0,0|2,0,0]=4 13647 B13R1.137 C=CCCCNC1CCCC1CC 269862a_100000700776_100000749056 [1,0,0,1,0,0|2,0,0]=4 13648 B13R1.137 C=CCCCNC1CCCC1CC 270004a_100000700776_100000749056 [1,0,0,1,0,0|2,0,0]=4 13649 B13R1.137 CCC1CCCC1NCCCCO 269862a_100000750430_100000749056 [1,0,0,1,0,0|1,0,1]=4 13650 B13R1.137 CCC1CCCC1NCCCCO 270004a_100000750430_100000749056 [1,0,0,1,0,0|1,0,1]=4 13651 B13R1.137 CCC1CCCN1CCCCC=O 2230a_100000754278_100000139335 [1,0,0,1,0,0|1,0,0]=3 13652 B13R1.137 CCC1CCCN1CCCCC=O 269982a_100000754278_100000139335 [1,0,0,1,0,0|1,0,0]=3 13653 B13R1.137 CCC1CCCN1CCCCCO 2230a_100000754278_100000746330 [1,0,0,1,0,0|1,0,1]=4 13654 B13R1.137 CCC1CCCN1CCCCCO 269982a_100000754278_100000746330 [1,0,0,1,0,0|1,0,1]=4 13655 B13R1.137 CCC1CCCN1CCCCCO 34a_100000754278_100000746330 [1,0,0,1,0,0|1,0,1]=4 13656 B13R1.137 CCCCCCC1CCCC1NC 269862a_106832991636_100000189428 [1,0,0,1,0,0|2,0,0]=4 13657 B13R1.137 CCCCCCC1CCCC1NC 270004a_106832991635_100000189428 [1,0,0,1,0,0|2,0,0]=4 13658 B13R1.137 CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210314 [1,0,0,1,0,0|1,0,1]=4 13659 B13R1.137 CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210757 [1,0,0,1,0,0|1,0,1]=4 13660 B13R1.137 CCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210314 [1,0,0,1,0,0|1,0,1]=4 13661 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139335 [1,0,0,1,0,0|2,0,0]=4 13662 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139335 [1,0,0,1,0,0|2,0,0]=4 13663 B13R1.192 COCC1CCN1CCCCC=O 2230a_100015195929_100000139335 [1,0,0,1,0,0|2,0,0]=4 13664 B13R1.192 COCC1CCN1CCCCC=O 269982a_100015195929_100000139335 [1,0,0,1,0,0|2,0,0]=4 13665 B13R1.485 C=CCC1CCCCC1NCCC 269862a_100020643023_100011214939 [1,0,0,1,0,0|2,0,0]=4 13666 B13R1.485 C=CCC1CCCCC1NCCC 270004a_100020643023_100011214939 [1,0,0,1,0,0|2,0,0]=4 13667 B13R1.485 C=CCCN1CCCCC1CCC 2230a_100000701414_100000754431 [1,0,0,1,0,0|2,0,0]=4 13668 B13R1.485 C=CCCN1CCCCC1CCC 269982a_100000701414_100000754431 [1,0,0,1,0,0|2,0,0]=4 13669 B13R1.485 C=CCCN1CCCCC1CCC 34a_100000701414_100000754431 [1,0,0,1,0,0|2,0,0]=4 13670 B13R1.485 C=CCNC1CCCCC1CCC 270004a_100020586998_100011218038 [1,0,0,1,0,0|2,0,0]=4 13671 B13R1.485 C=CCOC1CCCCC1CCC 34a_100011217265_100015514636 [1,0,0,1,0,0|2,0,0]=4 13672 B13R1.485 C=CCOC1CCCCC1CCC 7a_100011217265_100015514636 [1,0,0,1,0,0|2,0,0]=4 13673 B13R1.485 CCCC1CCCCC1NCCO 269862a_100000210304_100011218038 [1,0,0,1,0,0|1,0,1]=4 13674 B13R1.485 CCCC1CCCCC1NCCO 270004a_100000210304_100011218038 [1,0,0,1,0,0|1,0,1]=4 13675 B13R1.485 CCCC1CCCCC1OCC=O 34a_100011217265_200009817547 [1,0,0,1,0,0|1,0,0]=3 13676 B13R1.485 CCCC1CCCCC1OCC=O 7a_100011217265_200015260668 [1,0,0,1,0,0|1,0,0]=3 13677 B13R1.485 CCCC1CCCCC1OCCO 34a_100011217265_100000211926 [1,0,0,1,0,0|1,0,1]=4 13678 B13R1.485 CCCC1CCCCC1OCCO 7a_100011217265_100000211926 [1,0,0,1,0,0|1,0,1]=4 13679 B13R1.485 CCCC1CCCCN1CCCO 2230a_100000701414_100000230001 [1,0,0,1,0,0|1,0,1]=4 13680 B13R1.485 CCCC1CCCCN1CCCO 269982a_100000701414_100011215043 [1,0,0,1,0,0|1,0,1]=4 13681 B13R1.485 CCCC1CCCCN1CCCO 34a_100000701414_100000230001 [1,0,0,1,0,0|1,0,1]=4 13682 B13R1.485 CCCCN1CCCCC1CCO 2230a_100000211664_100000210211 [1,0,0,1,0,0|1,0,1]=4 13683 B13R1.485 CCCCN1CCCCC1CCO 269982a_100000211664_100000210211 [1,0,0,1,0,0|1,0,1]=4 13684 B13R1.485 CCCCN1CCCCC1CCO 34a_100000211664_100000210210 [1,0,0,1,0,0|1,0,1]=4 13685 B13R1.485 CCCN1CCCCC1CCCO 2230a_100011934581_100000210303 [1,0,0,1,0,0|1,0,1]=4 13686 B13R1.485 CCCN1CCCCC1CCCO 269982a_100011934581_100000210303 [1,0,0,1,0,0|1,0,1]=4 13687 B13R1.485 CCCN1CCCCC1CCCO 34a_100011934581_100000210303 [1,0,0,1,0,0|1,0,1]=4 13688 B13R1.485 COCCC1CCCCN1CC=O 2230a_100015186528_200015260668 [1,0,0,1,0,0|2,0,0]=4 13689 B13R1.485 COCCC1CCCCN1CC=O 269982a_100015186528_200015260668 [1,0,0,1,0,0|2,0,0]=4 13690 B13R1.485 COCCC1CCCCN1CC=O 34a_100015186528_200009817547 [1,0,0,1,0,0|2,0,0]=4 13691 B13R1.485 O=CCN1CCCCC1CCCO 2230a_100011934581_200015260668 [1,0,0,1,0,0|2,0,0]=4 13692 B13R1.485 O=CCN1CCCCC1CCCO 269982a_100011934581_200015260668 [1,0,0,1,0,0|2,0,0]=4 13693 B13R1.485 O=CCN1CCCCC1CCCO 34a_100011934581_200009817547 [1,0,0,1,0,0|2,0,0]=4 13694 B13R1.489 C=CCCN1CCCCCCCC1 2230a_100000039187_100000754431 [1,0,0,1,0,0|2,0,0]=4 13695 B13R1.489 C=CCCN1CCCCCCCC1 269982a_100000039187_100000754431 [1,0,0,1,0,0|2,0,0]=4 13696 B13R1.489 C=CCCN1CCCCCCCC1 34a_100000039187_100000754431 [1,0,0,1,0,0|2,0,0]=4 13697 B13R1.489 C=CCNC1CCCCCCCC1 270004a_100020586998_100000038600 [1,0,0,1,0,0|2,0,0]=4 13698 B13R1.489 OCCCN1CCCCCCCC1 2230a_100000039187_100000230001 [1,0,0,1,0,0|1,0,1]=4 13699 B13R1.489 OCCCN1CCCCCCCC1 269982a_100000039187_100011215043 [1,0,0,1,0,0|1,0,1]=4 13700 B13R1.489 OCCCN1CCCCCCCC1 34a_100000039187_100000230001 [1,0,0,1,0,0|1,0,1]=4 13701 B13R1.489 OCCNC1CCCCCCCC1 270004a_100000210304_100000038600 [1,0,0,1,0,0|1,0,1]=4 13702 B13R1.555 C=CCCCCN1CCCCC1C 2230a_100000211376_100011215482 [1,0,0,1,0,0|2,0,0]=4 13703 B13R1.555 C=CCCCCN1CCCCC1C 269982a_100000211376_100011215482 [1,0,0,1,0,0|2,0,0]=4 13704 B13R1.555 C=CCCCCN1CCCCC1C 34a_100000211376_100011215482 [1,0,0,1,0,0|2,0,0]=4 13705 B13R1.555 C=CCCCNC1CCCCC1C 2230a_100000211402_100011713584 [1,0,0,1,0,0|2,0,0]=4 13706 B13R1.555 C=CCCCNC1CCCCC1C 269862a_100000700776_100000210921 [1,0,0,1,0,0|2,0,0]=4 13707 B13R1.555 C=CCCCNC1CCCCC1C 270004a_100000700776_100000210921 [1,0,0,1,0,0|2,0,0]=4 13708 B13R1.555 C=CCCCNC1CCCCC1C 34a_100000211402_100000757094 [1,0,0,1,0,0|2,0,0]=4 13709 B13R1.555 C=CCCCOC1CCCCC1C 34a_100000211207_100000757094 [1,0,0,1,0,0|2,0,0]=4 13710 B13R1.555 C=CCCCOC1CCCCC1C 7a_100000211207_100000757094 [1,0,0,1,0,0|2,0,0]=4 13711 B13R1.555 CC1CCCCC1NCCCC=O 2230a_100000211402_200011292268 [1,0,0,1,0,0|1,0,0]=3 13712 B13R1.555 CC1CCCCC1NCCCCO 2230a_100000211402_100000210776 [1,0,0,1,0,0|1,0,1]=4 13713 B13R1.555 CC1CCCCC1NCCCCO 269862a_100000750430_100000210921 [1,0,0,1,0,0|1,0,1]=4 13714 B13R1.555 CC1CCCCC1NCCCCO 270004a_100000750430_100000210921 [1,0,0,1,0,0|1,0,1]=4 13715 B13R1.555 CC1CCCCC1NCCCCO 34a_100000211402_100011216708 [1,0,0,1,0,0|1,0,1]=4 13716 B13R1.555 CC1CCCCC1OCCCC=O 7a_100000211207_200011292268 [1,0,0,1,0,0|1,0,0]=3 13717 B13R1.555 CC1CCCCC1OCCCCO 34a_100000211207_100011216708 [1,0,0,1,0,0|1,0,1]=4 13718 B13R1.555 CC1CCCCC1OCCCCO 7a_100000211207_100000210776 [1,0,0,1,0,0|1,0,1]=4 13719 B13R1.555 CC1CCCCN1CCCCC=O 2230a_100000211376_100000139335 [1,0,0,1,0,0|1,0,0]=3 13720 B13R1.555 CC1CCCCN1CCCCC=O 269982a_100000211376_100000139335 [1,0,0,1,0,0|1,0,0]=3 13721 B13R1.555 CC1CCCCN1CCCCCO 2230a_100000211376_100000746330 [1,0,0,1,0,0|1,0,1]=4 13722 B13R1.555 CC1CCCCN1CCCCCO 269982a_100000211376_100000746330 [1,0,0,1,0,0|1,0,1]=4 13723 B13R1.555 CC1CCCCN1CCCCCO 34a_100000211376_100000746330 [1,0,0,1,0,0|1,0,1]=4 13724 B13R1.555 CC1CCCCN1CCNCC=O 2230a_100000739827_200015260668 [1,0,0,1,0,0|2,0,0]=4 13725 B13R1.555 CC1CCCCN1CCNCC=O 34a_100000739827_200009817547 [1,0,0,1,0,0|2,0,0]=4 13726 B13R1.555 CC1CCCCN1CCOCC=O 34a_100011305533_200009817547 [1,0,0,1,0,0|2,0,0]=4 13727 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000209983_100000687798 [1,0,0,1,0,0|2,0,0]=4 13728 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000747585_100000210326 [1,0,0,1,0,0|2,0,0]=4 13729 B13R1.555 CCCCCNC1CCCNC1=O 34a_100000747585_100000718602 [1,0,0,1,0,0|2,0,0]=4 13730 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [1,0,0,1,0,0|1,0,0]=3 13731 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [1,0,0,1,0,0|1,0,0]=3 13732 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [1,0,0,1,0,0|1,0,0]=3 13733 B13R1.555 CCCCCOC1CCCCC1O 34a_100000210253_100000038908 [1,0,0,1,0,0|1,0,1]=4 13734 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000073722_100000718602 [1,0,0,1,0,0|2,0,0]=4 13735 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000210253_100000687798 [1,0,0,1,0,0|2,0,0]=4 13736 B13R1.555 CCCCCOC1CCCNC1=O 7a_100000210253_100000687798 [1,0,0,1,0,0|2,0,0]=4 13737 B13R1.555 CCCCCOC1COCCC1=O 34a_100000210253_100012180262 [1,0,0,1,0,0|2,0,0]=4 13738 B13R1.555 CCCCCOC1COCCC1=O 7a_100000210253_100012180262 [1,0,0,1,0,0|2,0,0]=4 13739 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [1,0,0,1,0,0|1,0,0]=3 13740 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [1,0,0,1,0,0|1,0,0]=3 13741 B13R1.555 CCCCCSC1CCCCC1O 62a_100000038908_100000210326 [1,0,0,1,0,0|1,0,1]=4 13742 B13R1.555 CCCCCSC1CCCCC1O 62a_100000210326_100000038908 [1,0,0,1,0,0|1,0,1]=4 13743 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000210326_100000687798 [1,0,0,1,0,0|2,0,0]=4 13744 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000687798_100000210326 [1,0,0,1,0,0|2,0,0]=4 13745 B13R1.555 CCCCCSC1COCCC1=O 62a_100000210326_100012180262 [1,0,0,1,0,0|2,0,0]=4 13746 B13R1.555 CCCCCSC1COCCC1=O 62a_100012180262_100000210326 [1,0,0,1,0,0|2,0,0]=4 13747 B13R1.555 CCCCNCC1CCCCC1O 34a_100011216029_100000210210 [1,0,0,1,0,0|1,0,1]=4 13748 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [1,0,0,1,0,0|1,0,0]=3 13749 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [1,0,0,1,0,0|1,0,0]=3 13750 B13R1.555 CCCNCCN1CCCCC1=O 2230a_100160573077_100000210303 [1,0,0,1,0,0|2,0,0]=4 13751 B13R1.555 CCCNCCN1CCCCC1=O 34a_100160573077_100000210303 [1,0,0,1,0,0|2,0,0]=4 13752 B13R1.555 CCOCCNC1CCCCC1=O 34a_102516460346_100000754470 [1,0,0,1,0,0|2,0,0]=4 13753 B13R1.555 CCOCCOC1CCCCC1=O 34a_100000210136_100000754470 [1,0,0,1,0,0|2,0,0]=4 13754 B13R1.555 CCOCCOC1CCCCC1=O 34a_100011214950_100000210147 [1,0,0,1,0,0|2,0,0]=4 13755 B13R1.555 CCOCCOC1CCCCC1=O 7a_100000210136_100000204591 [1,0,0,1,0,0|2,0,0]=4 13756 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000204591_100011215890 [1,0,0,1,0,0|2,0,0]=4 13757 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000210147_100000204591 [1,0,0,1,0,0|2,0,0]=4 13758 B13R1.555 CCSCCOC1CCCCC1=O 34a_100000212035_100000754470 [1,0,0,1,0,0|2,0,0]=4 13759 B13R1.555 CCSCCOC1CCCCC1=O 34a_100011214950_100000757381 [1,0,0,1,0,0|2,0,0]=4 13760 B13R1.555 CCSCCOC1CCCCC1=O 7a_100000212035_100000204591 [1,0,0,1,0,0|2,0,0]=4 13761 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000204591_100000757381 [1,0,0,1,0,0|2,0,0]=4 13762 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000757381_100000204591 [1,0,0,1,0,0|2,0,0]=4 13763 B13R1.555 CN1CCCCC1CCSCC=O 62a_100000211948_200015260668 [1,0,0,1,0,0|2,0,0]=4 13764 B13R1.555 CN1CCCCC1CCSCC=O 62a_200015260668_100000211948 [1,0,0,1,0,0|2,0,0]=4 13765 B13R1.555 CNCCCOC1CCCCC1=O 34a_100000213112_100000754470 [1,0,0,1,0,0|2,0,0]=4 13766 B13R1.555 COCCCNC1CCCCC1=O 34a_100150723488_100000754470 [1,0,0,1,0,0|2,0,0]=4 13767 B13R1.555 COCCCOC1CCCCC1=O 34a_100000740835_100000754470 [1,0,0,1,0,0|2,0,0]=4 13768 B13R1.555 COCCCOC1CCCCC1=O 34a_100011214950_100000740836 [1,0,0,1,0,0|2,0,0]=4 13769 B13R1.555 COCCCSC1CCCCC1=O 62a_100000204591_100000709357 [1,0,0,1,0,0|2,0,0]=4 13770 B13R1.555 COCCCSC1CCCCC1=O 62a_100000709357_100000204591 [1,0,0,1,0,0|2,0,0]=4 13771 B13R1.555 COCCOCC1CCCCC1=O 34a_100009861125_100011201679 [1,0,0,1,0,0|2,0,0]=4 13772 B13R1.555 COCCOCC1CCCCC1=O 7a_100009861125_100000233755 [1,0,0,1,0,0|2,0,0]=4 13773 B13R1.555 CSCCCOC1CCCCC1=O 34a_100000690336_100000754470 [1,0,0,1,0,0|2,0,0]=4 13774 B13R1.555 CSCCCOC1CCCCC1=O 7a_100000690336_100000204591 [1,0,0,1,0,0|2,0,0]=4 13775 B13R1.555 CSCCOCC1CCCCC1=O 34a_100009861125_100000212216 [1,0,0,1,0,0|2,0,0]=4 13776 B13R1.555 CSCCOCC1CCCCC1=O 7a_100009861125_100000212216 [1,0,0,1,0,0|2,0,0]=4 13777 B13R1.555 C[C@H]1COCCN1CCCCC=O 2230a_100009815349_100000139335 [1,0,0,1,0,0|2,0,0]=4 13778 B13R1.555 C[C@H]1COCCN1CCCCC=O 269982a_100009815349_100000139335 [1,0,0,1,0,0|2,0,0]=4 13779 B13R1.555 NCCCCOC1CCCCC1=O 34a_100000750430_100000754470 [1,0,0,1,0,0|2,0,0]=4 13780 B13R1.555 O=C1CCCCC1COCCCF 34a_100009861125_100011934791 [1,0,0,1,0,0|2,0,0]=4 13781 B13R1.555 O=C1CCCCC1COCCCF 7a_100009861125_100011934791 [1,0,0,1,0,0|2,0,0]=4 13782 B13R1.555 O=C1CCCCC1COCCCO 34a_100009861125_100000230001 [1,0,0,1,0,0|2,0,0]=4 13783 B13R1.555 O=C1CCCCC1COCCCO 7a_100009861125_100011215043 [1,0,0,1,0,0|2,0,0]=4 13784 B13R1.555 O=C1CCCCC1NCCCCO 34a_100000750430_100000754470 [1,0,0,1,0,0|2,0,0]=4 13785 B13R1.555 O=C1CCCCC1OCCCCBr 34a_100011216708_100000754470 [1,0,0,1,0,0|2,0,0]=4 13786 B13R1.555 O=C1CCCCC1OCCCCCl 34a_100000210776_100000754470 [1,0,0,1,0,0|2,0,0]=4 13787 B13R1.555 O=C1CCCCC1OCCCCCl 7a_100000210776_100000204591 [1,0,0,1,0,0|2,0,0]=4 13788 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011214950_100000729493 [1,0,0,1,0,0|2,0,0]=4 13789 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011995726_100000754470 [1,0,0,1,0,0|2,0,0]=4 13790 B13R1.555 O=C1CCCCC1OCCCCF 7a_100011995726_100000204591 [1,0,0,1,0,0|2,0,0]=4 13791 B13R1.555 O=C1CCCCC1OCCCCI 34a_200012148704_100000754470 [1,0,0,1,0,0|2,0,0]=4 13792 B13R1.555 O=C1CCCCC1OCCCCO 34a_100011214950_100011216708 [1,0,0,1,0,0|2,0,0]=4 13793 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000204591_100000729493 [1,0,0,1,0,0|2,0,0]=4 13794 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000729493_100000204591 [1,0,0,1,0,0|2,0,0]=4 13795 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000204591_100000210776 [1,0,0,1,0,0|2,0,0]=4 13796 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000210776_100000204591 [1,0,0,1,0,0|2,0,0]=4 13797 B13R1.555 O=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200011292268 [1,0,0,1,0,0|2,0,0]=4 13798 B13R1.555 O=CCCCOC1CCCCC1Cl 7a_100000038908_200011292268 [1,0,0,1,0,0|2,0,0]=4 13799 B13R1.555 O=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011292268 [1,0,0,1,0,0|2,0,0]=4 13800 B13R1.555 O=CCCCSC1CCCCC1F 62a_100015423560_200011292268 [1,0,0,1,0,0|2,0,0]=4 13801 B13R1.555 O=CCCCSC1CCCCC1F 62a_200011292268_100015423560 [1,0,0,1,0,0|2,0,0]=4 13802 B13R1.555 O=CCCCSC1CCCCC1O 62a_100000038908_200011292268 [1,0,0,1,0,0|2,0,0]=4 13803 B13R1.555 O=CCCCSC1CCCCC1O 62a_200011292268_100000038908 [1,0,0,1,0,0|2,0,0]=4 13804 B13R1.559 C=CCCCCCOCC1CC1C 34a_100000744939_100000700193 [1,0,0,1,0,0|2,0,0]=4 13805 B13R1.559 C=CCCCCCOCC1CC1C 7a_100000744939_100000700193 [1,0,0,1,0,0|2,0,0]=4 13806 B13R1.559 CC1CC1COCCCCCC=O 7a_100000744939_100000139337 [1,0,0,1,0,0|1,0,0]=3 13807 B13R1.559 CC1CC1COCCCCCCO 34a_100000744939_100000766143 [1,0,0,1,0,0|1,0,1]=4 13808 B13R1.559 CC1CC1COCCCCCCO 7a_100000744939_100000766143 [1,0,0,1,0,0|1,0,1]=4 13809 B13R1.560 C=CCCCCCCCN1CCC1 269982a_100000754969_100012355270 [1,0,0,1,0,0|2,0,0]=4 13810 B13R1.560 C=CCCCCCCNC1CCC1 2230a_100000749019_100011215473 [1,0,0,1,0,0|2,0,0]=4 13811 B13R1.560 C=CCCCCCCNC1CCC1 34a_100000749019_100011215473 [1,0,0,1,0,0|2,0,0]=4 13812 B13R1.560 C=CCCCCCCOC1CCC1 34a_100000748187_100011215473 [1,0,0,1,0,0|2,0,0]=4 13813 B13R1.560 C=CCCCCCCOC1CCC1 34a_200011216477_100000749161 [1,0,0,1,0,0|2,0,0]=4 13814 B13R1.560 C=CCCCCCCSC1CCC1 62a_100011215473_100000749161 [1,0,0,1,0,0|2,0,0]=4 13815 B13R1.560 C=CCCCCCNCC1CCC1 2230a_100000738700_100000700193 [1,0,0,1,0,0|2,0,0]=4 13816 B13R1.560 C=CCCCCCNCC1CCC1 34a_100000738700_100000700193 [1,0,0,1,0,0|2,0,0]=4 13817 B13R1.560 C=CCCCCCOCC1CCC1 34a_100000760304_100000700193 [1,0,0,1,0,0|2,0,0]=4 13818 B13R1.560 C=CCCCCCOCC1CCC1 34a_100011216702_100000763275 [1,0,0,1,0,0|2,0,0]=4 13819 B13R1.560 C=CCCCCCOCC1CCC1 7a_100011216702_100000763275 [1,0,0,1,0,0|2,0,0]=4 13820 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000700193_100000763275 [1,0,0,1,0,0|2,0,0]=4 13821 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000763275_100000700193 [1,0,0,1,0,0|2,0,0]=4 13822 B13R1.560 CCCCCCCNCC1CCO1 2230a_100000229938_100000103362 [1,0,0,1,0,0|1,0,1]=4 13823 B13R1.560 CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210681 [1,0,0,1,0,0|1,0,1]=4 13824 B13R1.560 CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210614 [1,0,0,1,0,0|1,0,1]=4 13825 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [1,0,0,1,0,0|1,0,1]=4 13826 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [1,0,0,1,0,0|1,0,1]=4 13827 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [1,0,0,1,0,0|1,0,1]=4 13828 B13R1.560 CCCCCCCSCC1CCO1 62a_100000103362_100000210316 [1,0,0,1,0,0|1,0,1]=4 13829 B13R1.560 CCCCCCCSCC1CCO1 62a_100000210614_100000103362 [1,0,0,1,0,0|1,0,1]=4 13830 B13R1.560 O=CCCCCCNCC1CCC1 2230a_100000738700_100000139337 [1,0,0,1,0,0|1,0,0]=3 13831 B13R1.560 O=CCCCCCNCC1COC1 2230a_100015281925_100000139337 [1,0,0,1,0,0|2,0,0]=4 13832 B13R1.560 O=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139337 [1,0,0,1,0,0|2,0,0]=4 13833 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000139337_100000763275 [1,0,0,1,0,0|1,0,0]=3 13834 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000763275_100000139337 [1,0,0,1,0,0|1,0,0]=3 13835 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000103362_100000139337 [1,0,0,1,0,0|2,0,0]=4 13836 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000139337_100000103362 [1,0,0,1,0,0|2,0,0]=4 13837 B13R1.560 O=CCCCCCSCC1COC1 62a_100000139337_100010264016 [1,0,0,1,0,0|2,0,0]=4 13838 B13R1.560 O=CCCCCCSCC1COC1 62a_100010264016_100000139337 [1,0,0,1,0,0|2,0,0]=4 13839 B13R1.560 OCCCCCCCCN1CCC1 269982a_100000754969_100000033203 [1,0,0,1,0,0|1,0,1]=4 13840 B13R1.560 OCCCCCCCNC1CCC1 2230a_100000749019_100000760002 [1,0,0,1,0,0|1,0,1]=4 13841 B13R1.560 OCCCCCCCNC1CCC1 270004a_100011996573_100000241760 [1,0,0,1,0,0|1,0,1]=4 13842 B13R1.560 OCCCCCCCNC1CCC1 34a_100000749019_100000760002 [1,0,0,1,0,0|1,0,1]=4 13843 B13R1.560 OCCCCCCCNC1CCC1 34a_100011996573_100000749161 [1,0,0,1,0,0|1,0,1]=4 13844 B13R1.560 OCCCCCCCOC1CCC1 34a_100000748187_100000760002 [1,0,0,1,0,0|1,0,1]=4 13845 B13R1.560 OCCCCCCCSC1CCC1 62a_100000760002_100000749161 [1,0,0,1,0,0|1,0,1]=4 13846 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000686447_100000763275 [1,0,0,1,0,0|1,0,1]=4 13847 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000738700_100000766143 [1,0,0,1,0,0|1,0,1]=4 13848 B13R1.560 OCCCCCCNCC1CCC1 269862a_100000686447_100000753134 [1,0,0,1,0,0|1,0,1]=4 13849 B13R1.560 OCCCCCCNCC1CCC1 34a_100000686447_100000763275 [1,0,0,1,0,0|1,0,1]=4 13850 B13R1.560 OCCCCCCNCC1CCC1 34a_100000738700_100000766143 [1,0,0,1,0,0|1,0,1]=4 13851 B13R1.560 OCCCCCCOCC1CCC1 34a_100000760304_100000766143 [1,0,0,1,0,0|1,0,1]=4 13852 B13R1.560 OCCCCCCSCC1CCC1 62a_100000763275_100000766143 [1,0,0,1,0,0|1,0,1]=4 13853 B13R1.560 OCCCCCCSCC1CCC1 62a_100000766143_100000763275 [1,0,0,1,0,0|1,0,1]=4 13854 B13R1.579 C=CCNC1CCCC1CCCC 270004a_100020586998_100000750825 [1,0,0,1,0,0|2,0,0]=4 13855 B13R1.579 CCCCC1CCCC1NCCO 269862a_100000210304_100000750825 [1,0,0,1,0,0|1,0,1]=4 13856 B13R1.579 CCCCC1CCCC1NCCO 270004a_100000210304_100000750825 [1,0,0,1,0,0|1,0,1]=4 13857 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000700193 [1,0,0,1,0,0|2,0,0]=4 13858 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000700193 [1,0,0,1,0,0|2,0,0]=4 13859 B13R1.654 C=CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000700193 [1,0,0,1,0,0|2,0,0]=4 13860 B13R1.654 C=CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000700193 [1,0,0,1,0,0|2,0,0]=4 13861 B13R1.654 C=CCCCCCN1CCC[C@H]1C 34a_100015189458_100000700193 [1,0,0,1,0,0|2,0,0]=4 13862 B13R1.654 C=CCCCCNC1CCCC1C 269862a_100000703577_100000752053 [1,0,0,1,0,0|2,0,0]=4 13863 B13R1.654 C=CCCCCOC1CCCC1C 34a_100011216460_100011215482 [1,0,0,1,0,0|2,0,0]=4 13864 B13R1.654 C=CCCCCOC1CCCC1C 7a_100011216460_100011215482 [1,0,0,1,0,0|2,0,0]=4 13865 B13R1.654 CC1CCCC1NCCCCCO 269862a_100000762737_100000752053 [1,0,0,1,0,0|1,0,1]=4 13866 B13R1.654 CC1CCCC1OCCCCC=O 7a_100011216460_100000139335 [1,0,0,1,0,0|1,0,0]=3 13867 B13R1.654 CC1CCCC1OCCCCCO 34a_100011216460_100000746330 [1,0,0,1,0,0|1,0,1]=4 13868 B13R1.654 CC1CCCC1OCCCCCO 7a_100011216460_100000746330 [1,0,0,1,0,0|1,0,1]=4 13869 B13R1.654 CC1SCCN1CCCCCC=O 2230a_200011216479_100000139337 [1,0,0,1,0,0|2,0,0]=4 13870 B13R1.654 CC1SCCN1CCCCCC=O 269982a_200011216479_100000139337 [1,0,0,1,0,0|2,0,0]=4 13871 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [1,0,0,1,0,0|1,0,0]=3 13872 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 13873 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 13874 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [1,0,0,1,0,0|2,0,0]=4 13875 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [1,0,0,1,0,0|1,0,0]=3 13876 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [1,0,0,1,0,0|1,0,0]=3 13877 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [1,0,0,1,0,0|1,0,0]=3 13878 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [1,0,0,1,0,0|2,0,0]=4 13879 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [1,0,0,1,0,0|2,0,0]=4 13880 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [1,0,0,1,0,0|2,0,0]=4 13881 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [1,0,0,1,0,0|1,0,0]=3 13882 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [1,0,0,1,0,0|1,0,0]=3 13883 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [1,0,0,1,0,0|2,0,0]=4 13884 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [1,0,0,1,0,0|2,0,0]=4 13885 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210314_200016002552 [1,0,0,1,0,0|1,0,1]=4 13886 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210757 [1,0,0,1,0,0|1,0,1]=4 13887 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [1,0,0,1,0,0|2,0,0]=4 13888 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000026320_100000210326 [1,0,0,1,0,0|2,0,0]=4 13889 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000210326_100000026320 [1,0,0,1,0,0|2,0,0]=4 13890 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100000102301_100000739059 [1,0,0,1,0,0|2,0,0]=4 13891 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100011200922_100000210211 [1,0,0,1,0,0|2,0,0]=4 13892 B13R1.654 CCCCNCCN1CCCC1=O 7a_106832991798_100000739059 [1,0,0,1,0,0|2,0,0]=4 13893 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000210227_100000739059 [1,0,0,1,0,0|2,0,0]=4 13894 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000211209_100000210210 [1,0,0,1,0,0|2,0,0]=4 13895 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000210227_100000739059 [1,0,0,1,0,0|2,0,0]=4 13896 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000211209_100000210211 [1,0,0,1,0,0|2,0,0]=4 13897 B13R1.654 CCCCOCOC1CCCC1=O 34a_200000719330_100011995733 [1,0,0,1,0,0|2,0,0]=4 13898 B13R1.654 CCCCOCSC1CCCC1=O 62a_100000211823_100011995733 [1,0,0,1,0,0|2,0,0]=4 13899 B13R1.654 CCCCOCSC1CCCC1=O 62a_100011995733_100000211823 [1,0,0,1,0,0|2,0,0]=4 13900 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000210211_100000739059 [1,0,0,1,0,0|2,0,0]=4 13901 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000739059_100000210210 [1,0,0,1,0,0|2,0,0]=4 13902 B13R1.654 CCCNCCCN1CCCC1=O 2230a_100000210347_100000210303 [1,0,0,1,0,0|2,0,0]=4 13903 B13R1.654 CCCNCCCN1CCCC1=O 34a_100000210347_100000210303 [1,0,0,1,0,0|2,0,0]=4 13904 B13R1.654 CCCOCCCN1CCCC1=O 34a_100011216539_100000210303 [1,0,0,1,0,0|2,0,0]=4 13905 B13R1.654 CCCOCCCN1CCCC1=O 7a_100011216539_100000210303 [1,0,0,1,0,0|2,0,0]=4 13906 B13R1.654 CCCOCCNC1CCCC1=O 2230a_100161115042_100000211823 [1,0,0,1,0,0|2,0,0]=4 13907 B13R1.654 CCCOCCNC1CCCC1=O 34a_100161115042_100000709159 [1,0,0,1,0,0|2,0,0]=4 13908 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [1,0,0,1,0,0|2,0,0]=4 13909 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [1,0,0,1,0,0|2,0,0]=4 13910 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [1,0,0,1,0,0|2,0,0]=4 13911 B13R1.654 CCCOCCSC1CCCC1=O 62a_100000211823_100011215938 [1,0,0,1,0,0|2,0,0]=4 13912 B13R1.654 CCCOCCSC1CCCC1=O 62a_100011215938_100000211823 [1,0,0,1,0,0|2,0,0]=4 13913 B13R1.654 CCCSCCNC1CCCC1=O 2230a_100020603323_100000211823 [1,0,0,1,0,0|2,0,0]=4 13914 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [1,0,0,1,0,0|2,0,0]=4 13915 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [1,0,0,1,0,0|2,0,0]=4 13916 B13R1.654 CCOCCCNC1CCCC1=O 2230a_100000210961_100000211823 [1,0,0,1,0,0|2,0,0]=4 13917 B13R1.654 CCOCCCNC1CCCC1=O 34a_100000210961_100000709159 [1,0,0,1,0,0|2,0,0]=4 13918 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [1,0,0,1,0,0|2,0,0]=4 13919 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [1,0,0,1,0,0|2,0,0]=4 13920 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [1,0,0,1,0,0|2,0,0]=4 13921 B13R1.654 CCOCCCSC1CCCC1=O 62a_100000211823_100012232248 [1,0,0,1,0,0|2,0,0]=4 13922 B13R1.654 CCOCCCSC1CCCC1=O 62a_100012232248_100000211823 [1,0,0,1,0,0|2,0,0]=4 13923 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [1,0,0,1,0,0|2,0,0]=4 13924 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [1,0,0,1,0,0|2,0,0]=4 13925 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [1,0,0,1,0,0|2,0,0]=4 13926 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [1,0,0,1,0,0|2,0,0]=4 13927 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [1,0,0,1,0,0|2,0,0]=4 13928 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [1,0,0,1,0,0|2,0,0]=4 13929 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [1,0,0,1,0,0|2,0,0]=4 13930 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [1,0,0,1,0,0|2,0,0]=4 13931 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 2230a_100015189458_100000139337 [1,0,0,1,0,0|1,0,0]=3 13932 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 269982a_100015189458_100000139337 [1,0,0,1,0,0|1,0,0]=3 13933 B13R1.654 C[C@@H]1CCCN1CCCCCCO 2230a_100015189458_100000766143 [1,0,0,1,0,0|1,0,1]=4 13934 B13R1.654 C[C@@H]1CCCN1CCCCCCO 269982a_100015189458_100000766143 [1,0,0,1,0,0|1,0,1]=4 13935 B13R1.654 C[C@@H]1CCCN1CCCCCCO 34a_100015189458_100000766143 [1,0,0,1,0,0|1,0,1]=4 13936 B13R1.654 C[C@H]1CCCN1CCCCCC=O 2230a_100020605311_100000139337 [1,0,0,1,0,0|1,0,0]=3 13937 B13R1.654 C[C@H]1CCCN1CCCCCC=O 269982a_100020605311_100000139337 [1,0,0,1,0,0|1,0,0]=3 13938 B13R1.654 C[C@H]1CCCN1CCCCCCO 2230a_100020605311_100000766143 [1,0,0,1,0,0|1,0,1]=4 13939 B13R1.654 C[C@H]1CCCN1CCCCCCO 269982a_100020605311_100000766143 [1,0,0,1,0,0|1,0,1]=4 13940 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [1,0,0,1,0,0|2,0,0]=4 13941 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [1,0,0,1,0,0|2,0,0]=4 13942 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [1,0,0,1,0,0|2,0,0]=4 13943 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [1,0,0,1,0,0|2,0,0]=4 13944 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [1,0,0,1,0,0|2,0,0]=4 13945 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [1,0,0,1,0,0|2,0,0]=4 13946 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [1,0,0,1,0,0|2,0,0]=4 13947 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [1,0,0,1,0,0|2,0,0]=4 13948 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [1,0,0,1,0,0|2,0,0]=4 13949 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [1,0,0,1,0,0|2,0,0]=4 13950 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [1,0,0,1,0,0|2,0,0]=4 13951 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [1,0,0,1,0,0|2,0,0]=4 13952 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [1,0,0,1,0,0|2,0,0]=4 13953 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [1,0,0,1,0,0|2,0,0]=4 13954 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [1,0,0,1,0,0|2,0,0]=4 13955 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_100000139335_200016002552 [1,0,0,1,0,0|2,0,0]=4 13956 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139335 [1,0,0,1,0,0|2,0,0]=4 13957 B13R1.659 C=CCCCCCCCNC1CC1 34a_100000212008_100012355270 [1,0,0,1,0,0|2,0,0]=4 13958 B13R1.659 C=CCCCCCCCOC1CC1 34a_100000730831_100000211595 [1,0,0,1,0,0|2,0,0]=4 13959 B13R1.659 C=CCCCCCCCSC1CC1 62a_100012355270_100000211595 [1,0,0,1,0,0|2,0,0]=4 13960 B13R1.659 C=CCCCCCCNCC1CC1 2230a_100000735609_100011215473 [1,0,0,1,0,0|2,0,0]=4 13961 B13R1.659 C=CCCCCCCNCC1CC1 34a_100000735609_100011215473 [1,0,0,1,0,0|2,0,0]=4 13962 B13R1.659 C=CCCCCCCOCC1CC1 34a_100000211283_100011215473 [1,0,0,1,0,0|2,0,0]=4 13963 B13R1.659 C=CCCCCCCOCC1CC1 34a_200011216477_100000742324 [1,0,0,1,0,0|2,0,0]=4 13964 B13R1.659 C=CCCCCCCOCC1CC1 7a_200011216477_100000742324 [1,0,0,1,0,0|2,0,0]=4 13965 B13R1.659 C=CCCCCCCSCC1CC1 62a_100000756562_100011215473 [1,0,0,1,0,0|2,0,0]=4 13966 B13R1.659 C=CCCCCCCSCC1CC1 62a_100011215473_100000742324 [1,0,0,1,0,0|2,0,0]=4 13967 B13R1.659 C=CCCCCCNCCC1CC1 34a_100000764129_100000700193 [1,0,0,1,0,0|2,0,0]=4 13968 B13R1.659 C=CCCCCCOCCC1CC1 34a_100000754188_100000700193 [1,0,0,1,0,0|2,0,0]=4 13969 B13R1.659 C=CCCCCCOCCC1CC1 34a_100011216702_100000694398 [1,0,0,1,0,0|2,0,0]=4 13970 B13R1.659 C=CCCCCCOCCC1CC1 7a_100000754188_100000700193 [1,0,0,1,0,0|2,0,0]=4 13971 B13R1.659 C=CCCCCCOCCC1CC1 7a_100011216702_100000764125 [1,0,0,1,0,0|2,0,0]=4 13972 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000700193_100000764125 [1,0,0,1,0,0|2,0,0]=4 13973 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000764125_100000700193 [1,0,0,1,0,0|2,0,0]=4 13974 B13R1.659 CCCCCCCCNCC1CO1 2230a_100000229939_100011216344 [1,0,0,1,0,0|1,0,1]=4 13975 B13R1.659 CCCCCCCCNCC1CO1 34a_100000229939_102125554688 [1,0,0,1,0,0|1,0,1]=4 13976 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [1,0,0,1,0,0|1,0,1]=4 13977 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [1,0,0,1,0,0|1,0,1]=4 13978 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [1,0,0,1,0,0|1,0,1]=4 13979 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [1,0,0,1,0,0|1,0,1]=4 13980 B13R1.659 CCCCCCCCSCC1CO1 62a_100000210759_102125554688 [1,0,0,1,0,0|1,0,1]=4 13981 B13R1.659 CCCCCCCCSCC1CO1 62a_102125554688_100000210317 [1,0,0,1,0,0|1,0,1]=4 13982 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000210759_100000745022 [1,0,0,1,0,0|1,0,1]=4 13983 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210317 [1,0,0,1,0,0|1,0,1]=4 13984 B13R1.659 CCCCCCCNCCC1CO1 2230a_100000229938_100000732470 [1,0,0,1,0,0|1,0,1]=4 13985 B13R1.659 CCCCCCCOCCC1CO1 34a_100000210272_100000732470 [1,0,0,1,0,0|1,0,1]=4 13986 B13R1.659 CCCCCCCOCCC1CO1 7a_100000210272_100000732470 [1,0,0,1,0,0|1,0,1]=4 13987 B13R1.659 CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210614 [1,0,0,1,0,0|1,0,1]=4 13988 B13R1.659 CCCCCCCSCCC1CO1 62a_100000210614_100000732470 [1,0,0,1,0,0|1,0,1]=4 13989 B13R1.659 CCCCCCCSCCC1CO1 62a_100000732470_100000210316 [1,0,0,1,0,0|1,0,1]=4 13990 B13R1.659 CCCCCCNCCCC1CO1 2230a_100000210581_100000733510 [1,0,0,1,0,0|1,0,1]=4 13991 B13R1.659 CCCCCCOCCCC1CO1 34a_100000210259_100000733510 [1,0,0,1,0,0|1,0,1]=4 13992 B13R1.659 CCCCCCOCCCC1CO1 7a_100000210259_100000733510 [1,0,0,1,0,0|1,0,1]=4 13993 B13R1.659 CCCCCCSCCCC1CO1 62a_100000210314_100000733510 [1,0,0,1,0,0|1,0,1]=4 13994 B13R1.659 CCCCCCSCCCC1CO1 62a_100000733510_100000210757 [1,0,0,1,0,0|1,0,1]=4 13995 B13R1.659 O=CCCCCCOCCC1CC1 7a_100000754188_100000139337 [1,0,0,1,0,0|1,0,0]=3 13996 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000139337_100000764125 [1,0,0,1,0,0|1,0,0]=3 13997 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000764125_100000139337 [1,0,0,1,0,0|1,0,0]=3 13998 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000139337_100000732470 [1,0,0,1,0,0|2,0,0]=4 13999 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000732470_100000139337 [1,0,0,1,0,0|2,0,0]=4 14000 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000139335_100000733510 [1,0,0,1,0,0|2,0,0]=4 14001 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000733510_100000139335 [1,0,0,1,0,0|2,0,0]=4 14002 B13R1.659 OCCCCCCCCNC1CC1 34a_100000212008_100000033203 [1,0,0,1,0,0|1,0,1]=4 14003 B13R1.659 OCCCCCCCCNC1CC1 34a_102515433106_100000211595 [1,0,0,1,0,0|1,0,1]=4 14004 B13R1.659 OCCCCCCCCSC1CC1 62a_100000033203_100000211595 [1,0,0,1,0,0|1,0,1]=4 14005 B13R1.659 OCCCCCCCNCC1CC1 2230a_100000735609_100000760002 [1,0,0,1,0,0|1,0,1]=4 14006 B13R1.659 OCCCCCCCNCC1CC1 2230a_100011996573_100000742324 [1,0,0,1,0,0|1,0,1]=4 14007 B13R1.659 OCCCCCCCNCC1CC1 269862a_100011996573_100000741477 [1,0,0,1,0,0|1,0,1]=4 14008 B13R1.659 OCCCCCCCNCC1CC1 34a_100000735609_100000760002 [1,0,0,1,0,0|1,0,1]=4 14009 B13R1.659 OCCCCCCCNCC1CC1 34a_100011996573_100000742324 [1,0,0,1,0,0|1,0,1]=4 14010 B13R1.659 OCCCCCCCOCC1CC1 34a_100000211283_100000760002 [1,0,0,1,0,0|1,0,1]=4 14011 B13R1.659 OCCCCCCCSCC1CC1 62a_100000756562_100000760002 [1,0,0,1,0,0|1,0,1]=4 14012 B13R1.659 OCCCCCCCSCC1CC1 62a_100000760002_100000742324 [1,0,0,1,0,0|1,0,1]=4 14013 B13R1.659 OCCCCCCNCCC1CC1 2230a_100000686447_100000694398 [1,0,0,1,0,0|1,0,1]=4 14014 B13R1.659 OCCCCCCNCCC1CC1 34a_100000686447_100000694398 [1,0,0,1,0,0|1,0,1]=4 14015 B13R1.659 OCCCCCCNCCC1CC1 34a_100000764129_100000766143 [1,0,0,1,0,0|1,0,1]=4 14016 B13R1.659 OCCCCCCOCCC1CC1 34a_100000754188_100000766143 [1,0,0,1,0,0|1,0,1]=4 14017 B13R1.659 OCCCCCCOCCC1CC1 7a_100000754188_100000766143 [1,0,0,1,0,0|1,0,1]=4 14018 B13R1.659 OCCCCCCSCCC1CC1 62a_100000764125_100000766143 [1,0,0,1,0,0|1,0,1]=4 14019 B13R1.659 OCCCCCCSCCC1CC1 62a_100000766143_100000764125 [1,0,0,1,0,0|1,0,1]=4 14020 B13R1.667 C=CCCCCCCN1CCC1C 269982a_100000755817_100011215473 [1,0,0,1,0,0|2,0,0]=4 14021 B13R1.667 C=CCCCCCCN1CCC1C 34a_100000755817_100011215473 [1,0,0,1,0,0|2,0,0]=4 14022 B13R1.667 CC1CCN1CCCCCCCO 269982a_100000755817_100000760002 [1,0,0,1,0,0|1,0,1]=4 14023 B13R1.667 CC1CCN1CCCCCCCO 34a_100000755817_100000760002 [1,0,0,1,0,0|1,0,1]=4 14024 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [1,0,0,1,0,0|1,0,0]=3 14025 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [1,0,0,1,0,0|1,0,0]=3 14026 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [1,0,0,1,0,0|1,0,0]=3 14027 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [1,0,0,1,0,0|1,0,0]=3 14028 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [1,0,0,1,0,0|1,0,0]=3 14029 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [1,0,0,1,0,0|1,0,0]=3 14030 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [1,0,0,1,0,0|1,0,0]=3 14031 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [1,0,0,1,0,0|1,0,0]=3 14032 B13R1.667 CCCCOCCOC1CCC1=O 34a_100000210238_100009892977 [1,0,0,1,0,0|2,0,0]=4 14033 B13R1.667 CCCCOCCOC1CCC1=O 7a_100000210238_100009892977 [1,0,0,1,0,0|2,0,0]=4 14034 B13R1.667 CCCCOCCSC1CCC1=O 62a_100000743108_100009892977 [1,0,0,1,0,0|2,0,0]=4 14035 B13R1.667 CCCCOCCSC1CCC1=O 62a_100009892977_100000743108 [1,0,0,1,0,0|2,0,0]=4 14036 B13R1.667 CCCCSCCOC1CCC1=O 34a_200000230436_100009892977 [1,0,0,1,0,0|2,0,0]=4 14037 B13R1.667 CCCCSCCOC1CCC1=O 7a_200000230436_100009892977 [1,0,0,1,0,0|2,0,0]=4 14038 B13R1.667 CCCOCCCNC1CCC1=O 34a_100011217757_100009892977 [1,0,0,1,0,0|2,0,0]=4 14039 B13R1.667 CCOCCNCCC1CCC1=O 2230a_102516460346_200016118888 [1,0,0,1,0,0|2,0,0]=4 14040 B13R1.667 CCOCCOCCC1CCC1=O 7a_100000210136_200016118888 [1,0,0,1,0,0|2,0,0]=4 14041 B13R1.667 CCOCCSCCC1CCC1=O 62a_100000210147_200016118888 [1,0,0,1,0,0|2,0,0]=4 14042 B13R1.667 CCOCCSCCC1CCC1=O 62a_200016118888_100011215890 [1,0,0,1,0,0|2,0,0]=4 14043 B13R1.667 CCSCCNCCC1CCC1=O 2230a_100000106463_200016118888 [1,0,0,1,0,0|2,0,0]=4 14044 B13R1.667 CCSCCOCCC1CCC1=O 7a_100000212035_200016118888 [1,0,0,1,0,0|2,0,0]=4 14045 B13R1.667 CCSCCSCCC1CCC1=O 62a_100000757381_200016118888 [1,0,0,1,0,0|2,0,0]=4 14046 B13R1.667 CCSCCSCCC1CCC1=O 62a_200016118888_100000757381 [1,0,0,1,0,0|2,0,0]=4 14047 B13R1.667 CNCCCCCOC1CCC1=O 34a_100000722520_100009892977 [1,0,0,1,0,0|2,0,0]=4 14048 B13R1.667 COCCCCCNC1CCC1=O 34a_100000747528_100009892977 [1,0,0,1,0,0|2,0,0]=4 14049 B13R1.667 COCCCSCCC1CCC1=O 62a_100000709357_200016118888 [1,0,0,1,0,0|2,0,0]=4 14050 B13R1.667 COCCCSCCC1CCC1=O 62a_200016118888_100000709357 [1,0,0,1,0,0|2,0,0]=4 14051 B13R1.667 CSCCCNCCC1CCC1=O 2230a_100000749238_200016118888 [1,0,0,1,0,0|2,0,0]=4 14052 B13R1.667 CSCCCOCCC1CCC1=O 7a_100000690336_200016118888 [1,0,0,1,0,0|2,0,0]=4 14053 B13R1.667 NCCCCCCOC1CCC1=O 34a_100000686447_100009892977 [1,0,0,1,0,0|2,0,0]=4 14054 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [1,0,0,1,0,0|2,0,0]=4 14055 B13R1.667 O=C1CCC1CCOCCCCCl 7a_100000210776_200016118888 [1,0,0,1,0,0|2,0,0]=4 14056 B13R1.667 O=C1CCC1CCOCCCCF 7a_100011995726_200016118888 [1,0,0,1,0,0|2,0,0]=4 14057 B13R1.667 O=C1CCC1CCSCCCCF 62a_100000729493_200016118888 [1,0,0,1,0,0|2,0,0]=4 14058 B13R1.667 O=C1CCC1CCSCCCCF 62a_200016118888_100000729493 [1,0,0,1,0,0|2,0,0]=4 14059 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [1,0,0,1,0,0|2,0,0]=4 14060 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [1,0,0,1,0,0|2,0,0]=4 14061 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [1,0,0,1,0,0|2,0,0]=4 14062 B13R1.667 O=C1CCC1OCCCCCCBr 34a_100011215345_100009892977 [1,0,0,1,0,0|2,0,0]=4 14063 B13R1.667 O=C1CCC1OCCCCCCBr 7a_100011215345_100009892977 [1,0,0,1,0,0|2,0,0]=4 14064 B13R1.667 O=C1CCC1OCCCCCCCl 34a_100000766143_100009892977 [1,0,0,1,0,0|2,0,0]=4 14065 B13R1.667 O=C1CCC1OCCCCCCCl 7a_100000766143_100009892977 [1,0,0,1,0,0|2,0,0]=4 14066 B13R1.667 O=C1CCC1OCCCCCCF 34a_100000732779_100009892977 [1,0,0,1,0,0|2,0,0]=4 14067 B13R1.667 O=C1CCC1OCCCCCCF 7a_100000732779_100009892977 [1,0,0,1,0,0|2,0,0]=4 14068 B13R1.667 O=C1CCC1SCCCCCCF 62a_100009892977_100015922095 [1,0,0,1,0,0|2,0,0]=4 14069 B13R1.667 O=C1CCC1SCCCCCCF 62a_100015922095_100009892977 [1,0,0,1,0,0|2,0,0]=4 14070 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [1,0,0,1,0,0|2,0,0]=4 14071 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [1,0,0,1,0,0|2,0,0]=4 14072 B13R1.671 C=CCCNC1CCCC1CCC 269862a_100015191253_100000723119 [1,0,0,1,0,0|2,0,0]=4 14073 B13R1.671 C=CCCNC1CCCC1CCC 270004a_100015191253_100000723119 [1,0,0,1,0,0|2,0,0]=4 14074 B13R1.671 CCCC1CCCC1NCCCO 269862a_100000182051_100000723119 [1,0,0,1,0,0|1,0,1]=4 14075 B13R1.671 CCCC1CCCC1NCCCO 270004a_100000182051_100000723119 [1,0,0,1,0,0|1,0,1]=4 14076 B13R1.671 CCCN1CCCC1COCC=O 34a_200000694710_200009817547 [1,0,0,1,0,0|2,0,0]=4 14077 B13R1.671 CCCN1CCCC1COCC=O 7a_200000694710_200015260668 [1,0,0,1,0,0|2,0,0]=4 14078 B13R1.671 COC[C@@H]1CCCN1CCCC=O 2230a_100020646714_200011292268 [1,0,0,1,0,0|2,0,0]=4 14079 B13R1.671 COC[C@@H]1CCCN1CCCC=O 269982a_100020646714_200011292268 [1,0,0,1,0,0|2,0,0]=4 14080 B13R1.1150 C=CCCCN1CCCCCCC1 2230a_100000211400_100011713584 [1,0,0,1,0,0|2,0,0]=4 14081 B13R1.1150 C=CCCCN1CCCCCCC1 269982a_100000211400_100000757094 [1,0,0,1,0,0|2,0,0]=4 14082 B13R1.1150 C=CCCCN1CCCCCCC1 34a_100000211400_100000757094 [1,0,0,1,0,0|2,0,0]=4 14083 B13R1.1150 C=CCCNC1CCCCCCC1 2230a_100000211152_100000754431 [1,0,0,1,0,0|2,0,0]=4 14084 B13R1.1150 C=CCCNC1CCCCCCC1 270004a_100015191253_100000210524 [1,0,0,1,0,0|2,0,0]=4 14085 B13R1.1150 C=CCCNC1CCCCCCC1 34a_100000211152_100000754431 [1,0,0,1,0,0|2,0,0]=4 14086 B13R1.1150 C=CCCOC1CCCCCCC1 34a_100000210054_100000754431 [1,0,0,1,0,0|2,0,0]=4 14087 B13R1.1150 C=CCCOC1CCCCCCC1 7a_100000210054_100000754431 [1,0,0,1,0,0|2,0,0]=4 14088 B13R1.1150 C=CCOCC1CCCCCCC1 34a_100011216312_100015514636 [1,0,0,1,0,0|2,0,0]=4 14089 B13R1.1150 C=CCOCC1CCCCCCC1 7a_100011216312_100015514636 [1,0,0,1,0,0|2,0,0]=4 14090 B13R1.1150 CCCCOC1C=CCCCCC1 34a_100000688657_100000210210 [1,0,0,1,0,0|2,0,0]=4 14091 B13R1.1150 O=CCCCN1CCCCCCC1 2230a_100000211400_200011292268 [1,0,0,1,0,0|1,0,0]=3 14092 B13R1.1150 O=CCCCN1CCCCCCC1 269982a_100000211400_200011292268 [1,0,0,1,0,0|1,0,0]=3 14093 B13R1.1150 O=CCOCC1CCCCCCC1 34a_100011216312_200009817547 [1,0,0,1,0,0|1,0,0]=3 14094 B13R1.1150 O=CCOCC1CCCCCCC1 7a_100011216312_200015260668 [1,0,0,1,0,0|1,0,0]=3 14095 B13R1.1150 OCCCCN1CCCCCCC1 2230a_100000211400_100000210776 [1,0,0,1,0,0|1,0,1]=4 14096 B13R1.1150 OCCCCN1CCCCCCC1 269982a_100000211400_100000210776 [1,0,0,1,0,0|1,0,1]=4 14097 B13R1.1150 OCCCCN1CCCCCCC1 34a_100000211400_100011216708 [1,0,0,1,0,0|1,0,1]=4 14098 B13R1.1150 OCCCNC1CCCCCCC1 2230a_100000211152_100000230001 [1,0,0,1,0,0|1,0,1]=4 14099 B13R1.1150 OCCCNC1CCCCCCC1 270004a_100000182051_100000210524 [1,0,0,1,0,0|1,0,1]=4 14100 B13R1.1150 OCCCNC1CCCCCCC1 34a_100000211152_100000230001 [1,0,0,1,0,0|1,0,1]=4 14101 B13R1.1150 OCCCOC1CCCCCCC1 34a_100000210054_100000230001 [1,0,0,1,0,0|1,0,1]=4 14102 B13R1.1150 OCCCOC1CCCCCCC1 7a_100000210054_100011215043 [1,0,0,1,0,0|1,0,1]=4 14103 B13R1.1150 OCCOCC1CCCCCCC1 34a_100011216312_100000211926 [1,0,0,1,0,0|1,0,1]=4 14104 B13R1.1150 OCCOCC1CCCCCCC1 7a_100011216312_100000211926 [1,0,0,1,0,0|1,0,1]=4 14105 B13R1.1887 C=CCCCCN1CCCCCC1 2230a_100000185865_100011215482 [1,0,0,1,0,0|2,0,0]=4 14106 B13R1.1887 C=CCCCCN1CCCCCC1 269982a_100000185865_100011215482 [1,0,0,1,0,0|2,0,0]=4 14107 B13R1.1887 C=CCCCCN1CCCCCC1 34a_100000185865_100011215482 [1,0,0,1,0,0|2,0,0]=4 14108 B13R1.1887 C=CCCCNC1CCCCCC1 2230a_100000210984_100011713584 [1,0,0,1,0,0|2,0,0]=4 14109 B13R1.1887 C=CCCCNC1CCCCCC1 270004a_100000700776_100000210131 [1,0,0,1,0,0|2,0,0]=4 14110 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000210984_100000757094 [1,0,0,1,0,0|2,0,0]=4 14111 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000700776_100011217769 [1,0,0,1,0,0|2,0,0]=4 14112 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000210887_100000757094 [1,0,0,1,0,0|2,0,0]=4 14113 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000758997_100011217769 [1,0,0,1,0,0|2,0,0]=4 14114 B13R1.1887 C=CCCCOC1CCCCCC1 7a_100000210887_100000757094 [1,0,0,1,0,0|2,0,0]=4 14115 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011217769_100000757094 [1,0,0,1,0,0|2,0,0]=4 14116 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011713584_100011217769 [1,0,0,1,0,0|2,0,0]=4 14117 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015191253_200000696569 [1,0,0,1,0,0|2,0,0]=4 14118 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015204231_100000754431 [1,0,0,1,0,0|2,0,0]=4 14119 B13R1.1887 C=CCCNCC1CCCCCC1 269862a_100015191253_200000763224 [1,0,0,1,0,0|2,0,0]=4 14120 B13R1.1887 C=CCCNCC1CCCCCC1 34a_100015204231_100000754431 [1,0,0,1,0,0|2,0,0]=4 14121 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100000699130_100000754431 [1,0,0,1,0,0|2,0,0]=4 14122 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100011205117_200000696569 [1,0,0,1,0,0|2,0,0]=4 14123 B13R1.1887 C=CCCOCC1CCCCCC1 7a_100000699130_100000754431 [1,0,0,1,0,0|2,0,0]=4 14124 B13R1.1887 C=CCCSCC1CCCCCC1 62a_100000754431_200000696569 [1,0,0,1,0,0|2,0,0]=4 14125 B13R1.1887 C=CCCSCC1CCCCCC1 62a_200000696569_100000754431 [1,0,0,1,0,0|2,0,0]=4 14126 B13R1.1887 C=CCNCCC1CCCCCC1 2230a_100011532351_100000210623 [1,0,0,1,0,0|2,0,0]=4 14127 B13R1.1887 C=CCNCCC1CCCCCC1 34a_100011532351_100015514636 [1,0,0,1,0,0|2,0,0]=4 14128 B13R1.1887 O=CCCCCN1CCCCCC1 2230a_100000185865_100000139335 [1,0,0,1,0,0|1,0,0]=3 14129 B13R1.1887 O=CCCCCN1CCCCCC1 269982a_100000185865_100000139335 [1,0,0,1,0,0|1,0,0]=3 14130 B13R1.1887 O=CCCCCN1CCCOCC1 2230a_100000685342_100000139335 [1,0,0,1,0,0|2,0,0]=4 14131 B13R1.1887 O=CCCCCN1CCCOCC1 269982a_100000685342_100000139335 [1,0,0,1,0,0|2,0,0]=4 14132 B13R1.1887 O=CCCCNC1CCCCCC1 2230a_100000210984_200011292268 [1,0,0,1,0,0|1,0,0]=3 14133 B13R1.1887 O=CCCCOC1CCCCCC1 7a_100000210887_200011292268 [1,0,0,1,0,0|1,0,0]=3 14134 B13R1.1887 O=CCCCSC1CCCCCC1 62a_100011217769_200011292268 [1,0,0,1,0,0|1,0,0]=3 14135 B13R1.1887 O=CCCCSC1CCCCCC1 62a_200011292268_100011217769 [1,0,0,1,0,0|1,0,0]=3 14136 B13R1.1887 O=CCNCCC1CCCCCC1 2230a_100011532351_200015260668 [1,0,0,1,0,0|1,0,0]=3 14137 B13R1.1887 O=CCNCCC1CCCCCC1 34a_100011532351_200009817547 [1,0,0,1,0,0|1,0,0]=3 14138 B13R1.1887 O=CCOCCN1CCCCCC1 34a_100000238007_200009817547 [1,0,0,1,0,0|2,0,0]=4 14139 B13R1.1887 O=CCSCCN1CCCCCC1 62a_100000722644_200015260668 [1,0,0,1,0,0|2,0,0]=4 14140 B13R1.1887 O=CCSCCN1CCCCCC1 62a_200015260668_100000722644 [1,0,0,1,0,0|2,0,0]=4 14141 B13R1.1887 OCCCCCN1CCCCCC1 2230a_100000185865_100000746330 [1,0,0,1,0,0|1,0,1]=4 14142 B13R1.1887 OCCCCCN1CCCCCC1 269982a_100000185865_100000746330 [1,0,0,1,0,0|1,0,1]=4 14143 B13R1.1887 OCCCCCN1CCCCCC1 34a_100000185865_100000746330 [1,0,0,1,0,0|1,0,1]=4 14144 B13R1.1887 OCCCCNC1CCCCCC1 2230a_100000210984_100000210776 [1,0,0,1,0,0|1,0,1]=4 14145 B13R1.1887 OCCCCNC1CCCCCC1 270004a_100000750430_100000210131 [1,0,0,1,0,0|1,0,1]=4 14146 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000210984_100011216708 [1,0,0,1,0,0|1,0,1]=4 14147 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000750430_100011217769 [1,0,0,1,0,0|1,0,1]=4 14148 B13R1.1887 OCCCCOC1CCCCCC1 34a_100000210887_100011216708 [1,0,0,1,0,0|1,0,1]=4 14149 B13R1.1887 OCCCCOC1CCCCCC1 7a_100000210887_100000210776 [1,0,0,1,0,0|1,0,1]=4 14150 B13R1.1887 OCCCCSC1CCCCCC1 62a_100000210776_100011217769 [1,0,0,1,0,0|1,0,1]=4 14151 B13R1.1887 OCCCCSC1CCCCCC1 62a_100011217769_100000210776 [1,0,0,1,0,0|1,0,1]=4 14152 B13R1.1887 OCCCNCC1CCCCCC1 2230a_100015204231_100000230001 [1,0,0,1,0,0|1,0,1]=4 14153 B13R1.1887 OCCCNCC1CCCCCC1 269862a_100000182051_200000763224 [1,0,0,1,0,0|1,0,1]=4 14154 B13R1.1887 OCCCNCC1CCCCCC1 34a_100015204231_100000230001 [1,0,0,1,0,0|1,0,1]=4 14155 B13R1.1887 OCCCOCC1CCCCCC1 34a_100000699130_100000230001 [1,0,0,1,0,0|1,0,1]=4 14156 B13R1.1887 OCCCOCC1CCCCCC1 7a_100000699130_100011215043 [1,0,0,1,0,0|1,0,1]=4 14157 B13R1.1887 OCCCSCC1CCCCCC1 62a_100011215043_200000696569 [1,0,0,1,0,0|1,0,1]=4 14158 B13R1.1887 OCCCSCC1CCCCCC1 62a_200000696569_100011215043 [1,0,0,1,0,0|1,0,1]=4 14159 B13R1.1887 OCCNCCC1CCCCCC1 2230a_100011532351_100000211926 [1,0,0,1,0,0|1,0,1]=4 14160 B13R1.1887 OCCNCCC1CCCCCC1 34a_100011532351_100000211926 [1,0,0,1,0,0|1,0,1]=4 14161 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [1,0,0,1,0,0|2,0,0]=4 14162 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [1,0,0,1,0,0|2,0,0]=4 14163 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [1,0,0,1,0,0|2,0,0]=4 14164 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [1,0,0,1,0,0|2,0,0]=4 14165 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [1,0,0,1,0,0|2,0,0]=4 14166 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [1,0,0,1,0,0|2,0,0]=4 14167 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [1,0,0,1,0,0|2,0,0]=4 14168 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [1,0,0,1,0,0|2,0,0]=4 14169 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [1,0,0,1,0,0|2,0,0]=4 14170 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [1,0,0,1,0,0|2,0,0]=4 14171 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [1,0,0,1,0,0|2,0,0]=4 14172 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [1,0,0,1,0,0|2,0,0]=4 14173 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [1,0,0,1,0,0|2,0,0]=4 14174 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [1,0,0,1,0,0|2,0,0]=4 14175 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [1,0,0,1,0,0|2,0,0]=4 14176 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [1,0,0,1,0,0|2,0,0]=4 14177 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [1,0,0,1,0,0|2,0,0]=4 14178 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [1,0,0,1,0,0|2,0,0]=4 14179 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [1,0,0,1,0,0|2,0,0]=4 14180 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [1,0,0,1,0,0|2,0,0]=4 14181 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [1,0,0,1,0,0|2,0,0]=4 14182 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [1,0,0,1,0,0|2,0,0]=4 14183 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [1,0,0,1,0,0|2,0,0]=4 14184 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [1,0,0,1,0,0|1,0,1]=4 14185 B13R1.90 CCC1CCCCN1CCC(=O)C 269982a_100000210034_100000053229 [1,0,0,1,0,0|2,0,0]=4 14186 B13R1.90 CCC1CCCCN1CCC(=O)N 2230a_100000210034_100000744528 [1,0,0,1,0,0|2,0,0]=4 14187 B13R1.90 CCC1CCCCN1CCC(=O)N 269982a_100000210034_100000744528 [1,0,0,1,0,0|2,0,0]=4 14188 B13R1.90 CCC1CCCCN1CCC(=O)N 34a_100000210034_100000731001 [1,0,0,1,0,0|2,0,0]=4 14189 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [1,0,0,1,0,0|1,0,0]=3 14190 B13R1.90 O=C(O)CCC1CCCCN1CF 269956a_100000694054_100015361967 [1,0,0,1,0,0|2,0,0]=4 14191 B13R1.103 CCC1CCCC1NCCC(=O)N 269862a_100000740010_100000749056 [1,0,0,1,0,0|2,0,0]=4 14192 B13R1.103 CCC1CCCN1CCCC(=O)C 269982a_100000754278_100011215641 [1,0,0,1,0,0|2,0,0]=4 14193 B13R1.103 CCC1CCCN1CCCC(=O)C 34a_100000754278_100000685027 [1,0,0,1,0,0|2,0,0]=4 14194 B13R1.103 CCC1CCCN1CCCC(=O)N 269982a_100000754278_100102525003 [1,0,0,1,0,0|2,0,0]=4 14195 B13R1.103 CCC1CCCN1CCCC(=O)N 34a_100000754278_100102525003 [1,0,0,1,0,0|2,0,0]=4 14196 B13R1.158 CC(=O)CCCN1CCCCC1C 269982a_100000211376_100011215641 [1,0,0,1,0,0|2,0,0]=4 14197 B13R1.158 CC(=O)CCCN1CCCCC1C 34a_100000211376_100000685027 [1,0,0,1,0,0|2,0,0]=4 14198 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [1,0,0,1,0,0|2,0,0]=4 14199 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [1,0,0,1,0,0|2,0,0]=4 14200 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [1,0,0,1,0,0|2,0,0]=4 14201 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [1,0,0,1,0,0|2,0,0]=4 14202 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [1,0,0,1,0,0|2,0,0]=4 14203 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [1,0,0,1,0,0|2,0,0]=4 14204 B13R1.158 CC1CCCCN1CCCC(=O)N 269982a_100000211376_100102525003 [1,0,0,1,0,0|2,0,0]=4 14205 B13R1.158 CC1CCCCN1CCCC(=O)N 34a_100000211376_100102525003 [1,0,0,1,0,0|2,0,0]=4 14206 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [1,0,0,1,0,0|2,0,0]=4 14207 B13R1.167 CC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000735457 [1,0,0,1,0,0|2,0,0]=4 14208 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000735457 [1,0,0,1,0,0|2,0,0]=4 14209 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100009817362 [1,0,0,1,0,0|2,0,0]=4 14210 B13R1.167 CC(=O)CCCOC1CCCC1C 34a_100011216460_100000685027 [1,0,0,1,0,0|2,0,0]=4 14211 B13R1.167 CC(=O)CCCOC1CCCC1C 7a_100011216460_100011215641 [1,0,0,1,0,0|2,0,0]=4 14212 B13R1.167 CC1CCCC1NCCCC(=O)N 269862a_100000739312_100000752053 [1,0,0,1,0,0|2,0,0]=4 14213 B13R1.167 CC1CCCC1OCCCC(=O)N 34a_100011216460_100102525003 [1,0,0,1,0,0|2,0,0]=4 14214 B13R1.167 CC1CCCC1OCCCC(=O)N 7a_100011216460_100102525003 [1,0,0,1,0,0|2,0,0]=4 14215 B13R1.167 CN1CCCC1CCNCC(=O)O 269956a_100016091260_100000005710 [1,0,0,1,0,0|2,0,0]=4 14216 B13R1.198 CC(=O)CCCCOCC1CC1C 34a_100000744939_100009817362 [1,0,0,1,0,0|2,0,0]=4 14217 B13R1.198 CC(=O)CCCCOCC1CC1C 7a_100000744939_100000735457 [1,0,0,1,0,0|2,0,0]=4 14218 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [1,0,0,1,0,0|1,0,0]=3 14219 B13R1.224 COCN1CCCCCC1C(=O)O 269956a_100000758484_100000766300 [1,0,0,1,0,0|2,0,0]=4 14220 B13R1.224 CSCN1CCCCCC1C(=O)O 269956a_100000758484_100011218213 [1,0,0,1,0,0|2,0,0]=4 14221 B13R1.224 O=C(O)C1CCCCCN1CCF 269956a_100000758484_100011217306 [1,0,0,1,0,0|2,0,0]=4 14222 B13R1.224 O=C(O)C1CCCCCN1CCO 269956a_100000758484_100000211926 [1,0,0,1,0,0|2,0,0]=4 14223 B13R1.297 CC1CCN1CCCCCC(=O)N 269982a_100000755817_100009817443 [1,0,0,1,0,0|2,0,0]=4 14224 B13R1.297 CC1CCN1CCCCCC(=O)N 34a_100000755817_100009817443 [1,0,0,1,0,0|2,0,0]=4 14225 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [1,0,0,1,0,0|1,0,0]=3 14226 B13R1.337 CC(=O)CCCCN1CCCCC1 1458a_100000754417_200000210301 [1,0,0,1,0,0|2,0,0]=4 14227 B13R1.337 CC(=O)CCCNC1CCCCC1 34a_100000182618_100000685027 [1,0,0,1,0,0|2,0,0]=4 14228 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000210231_100000685027 [1,0,0,1,0,0|2,0,0]=4 14229 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000759063_100000210327 [1,0,0,1,0,0|2,0,0]=4 14230 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000210231_100011215641 [1,0,0,1,0,0|2,0,0]=4 14231 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000759063_100000210327 [1,0,0,1,0,0|2,0,0]=4 14232 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100000210327_100011215641 [1,0,0,1,0,0|2,0,0]=4 14233 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100011215641_100000210327 [1,0,0,1,0,0|2,0,0]=4 14234 B13R1.337 CC(=O)CCOCC1CCCCC1 34a_100000759926_100000211423 [1,0,0,1,0,0|2,0,0]=4 14235 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000212181_100000053229 [1,0,0,1,0,0|2,0,0]=4 14236 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000759926_100000211423 [1,0,0,1,0,0|2,0,0]=4 14237 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000053229_100000211423 [1,0,0,1,0,0|2,0,0]=4 14238 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000211423_100000053229 [1,0,0,1,0,0|2,0,0]=4 14239 B13R1.337 CC(=O)COCCC1CCCCC1 34a_100000211253_100011209188 [1,0,0,1,0,0|2,0,0]=4 14240 B13R1.337 CC(=O)NCCCC1CCCCC1 11a_100011211642_100015343762 [1,0,0,1,0,0|2,0,0]=4 14241 B13R1.337 CC(=O)NCCCC1CCCCC1 1626a_100011211642_100015343762 [1,0,0,1,0,0|2,0,0]=4 14242 B13R1.337 CC(=O)NCCCC1CCCCC1 240690a_100011211642_100015343762 [1,0,0,1,0,0|2,0,0]=4 14243 B13R1.337 CC(=O)NCCCC1CCCCC1 527a_100011211642_100103153847 [1,0,0,1,0,0|2,0,0]=4 14244 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000182618_100102525003 [1,0,0,1,0,0|2,0,0]=4 14245 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000739312_100000210327 [1,0,0,1,0,0|2,0,0]=4 14246 B13R1.337 NC(=O)CCCOC1CCCCC1 34a_100000210231_100102525003 [1,0,0,1,0,0|2,0,0]=4 14247 B13R1.337 NC(=O)CCCOC1CCCCC1 7a_100000210231_100102525003 [1,0,0,1,0,0|2,0,0]=4 14248 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100000210327_100102525003 [1,0,0,1,0,0|2,0,0]=4 14249 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100102525003_100000210327 [1,0,0,1,0,0|2,0,0]=4 14250 B13R1.337 NC(=O)CCNCC1CCCCC1 2230a_100000210473_100000744528 [1,0,0,1,0,0|2,0,0]=4 14251 B13R1.337 NC(=O)CCNCC1CCCCC1 269862a_100000740010_100000211278 [1,0,0,1,0,0|2,0,0]=4 14252 B13R1.337 NC(=O)CCNCC1CCCCC1 34a_100000210473_100000731001 [1,0,0,1,0,0|2,0,0]=4 14253 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000212181_100000731001 [1,0,0,1,0,0|2,0,0]=4 14254 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000757172_100000211423 [1,0,0,1,0,0|2,0,0]=4 14255 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000212181_100000744528 [1,0,0,1,0,0|2,0,0]=4 14256 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000757172_100000211423 [1,0,0,1,0,0|2,0,0]=4 14257 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000211423_100000744528 [1,0,0,1,0,0|2,0,0]=4 14258 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000744528_100000211423 [1,0,0,1,0,0|2,0,0]=4 14259 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000711301_100012355289 [1,0,0,1,0,0|2,0,0]=4 14260 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747473 [1,0,0,1,0,0|2,0,0]=4 14261 B13R1.337 NC(=O)CNCCC1CCCCC1 34a_100000738074_100000187820 [1,0,0,1,0,0|2,0,0]=4 14262 B13R1.337 NC(=O)COCCC1CCCCC1 34a_100011217863_100000187820 [1,0,0,1,0,0|2,0,0]=4 14263 B13R1.337 NC(=O)COCCC1CCCCC1 7a_100011217863_100000187820 [1,0,0,1,0,0|2,0,0]=4 14264 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100000747473_100012355289 [1,0,0,1,0,0|2,0,0]=4 14265 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100012355289_100000747473 [1,0,0,1,0,0|2,0,0]=4 14266 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [1,0,0,1,0,0|1,0,0]=3 14267 B13R1.337 O=C(O)CNCCC1CCOCC1 269956a_100016091260_100011934994 [1,0,0,1,0,0|2,0,0]=4 14268 B13R1.337 O=C(O)CNCCN1CCCCC1 269956a_100016091260_100000739454 [1,0,0,1,0,0|2,0,0]=4 14269 B13R1.337 O=C(O)CNCOC1CCCCC1 269956a_100016091260_100011935260 [1,0,0,1,0,0|2,0,0]=4 14270 B13R1.337 O=C(O)CONCC1CCCCC1 269956a_100000106656_100000211423 [1,0,0,1,0,0|2,0,0]=4 14271 B13R1.337 O=C([O-])CNCCC1CCCCC1 34a_100000738074_100020667443 [1,0,0,1,0,0|1,0,1]=4 14272 B13R1.337 O=C([O-])COCCC1CCCCC1 34a_100011217863_100020667443 [1,0,0,1,0,0|1,0,1]=4 14273 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100012355289_100020667443 [1,0,0,1,0,0|1,0,1]=4 14274 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100020667443_100012355289 [1,0,0,1,0,0|1,0,1]=4 14275 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [1,0,0,1,0,0|1,0,0]=3 14276 B13R1.337 [13CH3]C(=O)CCCCN1CCCCC1 1458a_100000754417_200025704644 [1,0,0,1,0,0|2,0,0]=4 14277 B13R1.343 CC(=O)CCCCNC1CCCC1 34a_100000211070_100009817362 [1,0,0,1,0,0|2,0,0]=4 14278 B13R1.343 CC(=O)CCCCOC1CCCC1 34a_100000210269_100009817362 [1,0,0,1,0,0|2,0,0]=4 14279 B13R1.343 CC(=O)CCCCOC1CCCC1 7a_100000210269_100000735457 [1,0,0,1,0,0|2,0,0]=4 14280 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100000735457_100000179811 [1,0,0,1,0,0|2,0,0]=4 14281 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100011217020_100000735457 [1,0,0,1,0,0|2,0,0]=4 14282 B13R1.343 CC(=O)CCCNCC1CCCC1 34a_100000737975_100000685027 [1,0,0,1,0,0|2,0,0]=4 14283 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000742336_100000685027 [1,0,0,1,0,0|2,0,0]=4 14284 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000759063_100000740388 [1,0,0,1,0,0|2,0,0]=4 14285 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000742336_100011215641 [1,0,0,1,0,0|2,0,0]=4 14286 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000759063_100000740388 [1,0,0,1,0,0|2,0,0]=4 14287 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100000740388_100011215641 [1,0,0,1,0,0|2,0,0]=4 14288 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100011215641_100000740388 [1,0,0,1,0,0|2,0,0]=4 14289 B13R1.343 CC(=O)CCOCCC1CCCC1 34a_100000759926_100000760354 [1,0,0,1,0,0|2,0,0]=4 14290 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000749090_100000053229 [1,0,0,1,0,0|2,0,0]=4 14291 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000759926_100000760354 [1,0,0,1,0,0|2,0,0]=4 14292 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000053229_100000760354 [1,0,0,1,0,0|2,0,0]=4 14293 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000760354_100000053229 [1,0,0,1,0,0|2,0,0]=4 14294 B13R1.343 CC(=O)COCCCC1CCCC1 34a_100000211253_100011713738 [1,0,0,1,0,0|2,0,0]=4 14295 B13R1.343 NC(=O)CCCCCN1CCCC1 2230a_100000188435_100009817443 [1,0,0,1,0,0|2,0,0]=4 14296 B13R1.343 NC(=O)CCCCCN1CCCC1 269982a_100000188435_100009817443 [1,0,0,1,0,0|2,0,0]=4 14297 B13R1.343 NC(=O)CCCCNC1CCCC1 270004a_100000696515_100000210133 [1,0,0,1,0,0|2,0,0]=4 14298 B13R1.343 NC(=O)CCCCNC1CCCC1 34a_100000696515_100000179811 [1,0,0,1,0,0|2,0,0]=4 14299 B13R1.343 NC(=O)CCCCOC1CCCC1 34a_100012022536_100000179811 [1,0,0,1,0,0|2,0,0]=4 14300 B13R1.343 NC(=O)CCCCOC1CCCC1 7a_100012022536_100000179811 [1,0,0,1,0,0|2,0,0]=4 14301 B13R1.343 NC(=O)CCCNCC1CCCC1 269862a_100000739312_100000746403 [1,0,0,1,0,0|2,0,0]=4 14302 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000737975_100102525003 [1,0,0,1,0,0|2,0,0]=4 14303 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000739312_100000740388 [1,0,0,1,0,0|2,0,0]=4 14304 B13R1.343 NC(=O)CCCOCC1CCCC1 34a_100000742336_100102525003 [1,0,0,1,0,0|2,0,0]=4 14305 B13R1.343 NC(=O)CCCOCC1CCCC1 7a_100000742336_100102525003 [1,0,0,1,0,0|2,0,0]=4 14306 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100000740388_100102525003 [1,0,0,1,0,0|2,0,0]=4 14307 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100102525003_100000740388 [1,0,0,1,0,0|2,0,0]=4 14308 B13R1.343 NC(=O)CCNCCC1CCCC1 2230a_100000739158_100000744528 [1,0,0,1,0,0|2,0,0]=4 14309 B13R1.343 NC(=O)CCNCCC1CCCC1 34a_100000739158_100000731001 [1,0,0,1,0,0|2,0,0]=4 14310 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000749090_100000731001 [1,0,0,1,0,0|2,0,0]=4 14311 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000757172_100000760354 [1,0,0,1,0,0|2,0,0]=4 14312 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000749090_100000744528 [1,0,0,1,0,0|2,0,0]=4 14313 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000757172_100000760354 [1,0,0,1,0,0|2,0,0]=4 14314 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000744528_100000760354 [1,0,0,1,0,0|2,0,0]=4 14315 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000760354_100000744528 [1,0,0,1,0,0|2,0,0]=4 14316 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000711301_100011713738 [1,0,0,1,0,0|2,0,0]=4 14317 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747473 [1,0,0,1,0,0|2,0,0]=4 14318 B13R1.343 NC(=O)CNCCCC1CCCC1 34a_100000736752_100000187820 [1,0,0,1,0,0|2,0,0]=4 14319 B13R1.343 NC(=O)COCCCC1CCCC1 34a_100011215328_100000187820 [1,0,0,1,0,0|2,0,0]=4 14320 B13R1.343 NC(=O)COCCCC1CCCC1 7a_100011215328_100000187820 [1,0,0,1,0,0|2,0,0]=4 14321 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100000747473_100011713738 [1,0,0,1,0,0|2,0,0]=4 14322 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100011713738_100000747473 [1,0,0,1,0,0|2,0,0]=4 14323 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [1,0,0,1,0,0|1,0,0]=3 14324 B13R1.343 O=C(O)CNCCCN1CCCC1 269956a_100016091260_100011445909 [1,0,0,1,0,0|2,0,0]=4 14325 B13R1.343 O=C(O)COCCNC1CCCC1 269956a_100000700818_100000179811 [1,0,0,1,0,0|2,0,0]=4 14326 B13R1.343 O=C(O)CONCCC1CCCC1 269956a_100000106656_100000760354 [1,0,0,1,0,0|2,0,0]=4 14327 B13R1.343 O=C([O-])CNCCCC1CCCC1 34a_100000736752_100020667443 [1,0,0,1,0,0|1,0,1]=4 14328 B13R1.343 O=C([O-])COCCCC1CCCC1 34a_100011215328_100020667443 [1,0,0,1,0,0|1,0,1]=4 14329 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100011713738_100020667443 [1,0,0,1,0,0|1,0,1]=4 14330 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100020667443_100011713738 [1,0,0,1,0,0|1,0,1]=4 14331 B13R1.362 CCCCCCCSC1CC(=O)C1 62a_100009894365_100000210316 [1,0,0,1,0,0|2,0,0]=4 14332 B13R1.362 CCCCCCNCC1CC(=O)C1 2230a_100000210581_100009874392 [1,0,0,1,0,0|2,0,0]=4 14333 B13R1.362 CCCCCCOCC1CC(=O)C1 34a_100000101936_100000210314 [1,0,0,1,0,0|2,0,0]=4 14334 B13R1.362 CCCCCCOCC1CC(=O)C1 7a_100000210259_100009874392 [1,0,0,1,0,0|2,0,0]=4 14335 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100000210314_100009874392 [1,0,0,1,0,0|2,0,0]=4 14336 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100009874392_100000210757 [1,0,0,1,0,0|2,0,0]=4 14337 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [1,0,0,1,0,0|2,0,0]=4 14338 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [1,0,0,1,0,0|2,0,0]=4 14339 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [1,0,0,1,0,0|2,0,0]=4 14340 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [1,0,0,1,0,0|1,0,1]=4 14341 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [1,0,0,1,0,0|1,0,1]=4 14342 B13R1.380 CCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210303 [1,0,0,1,0,0|2,0,0]=4 14343 B13R1.380 CCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210303 [1,0,0,1,0,0|2,0,0]=4 14344 B13R1.380 CCCN1CCCCC1CC(=O)N 34a_100015184752_100000210303 [1,0,0,1,0,0|2,0,0]=4 14345 B13R1.572 CCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210211 [1,0,0,1,0,0|2,0,0]=4 14346 B13R1.572 CCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210211 [1,0,0,1,0,0|2,0,0]=4 14347 B13R1.572 CCCCN1CCCCC1C(=O)N 34a_100000181395_100000210210 [1,0,0,1,0,0|2,0,0]=4 14348 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [1,0,0,1,0,0|1,0,0]=3 14349 B13R1.572 CCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210211 [1,0,0,1,0,0|2,0,0]=4 14350 B13R1.572 CCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210211 [1,0,0,1,0,0|2,0,0]=4 14351 B13R1.572 CCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210211 [1,0,0,1,0,0|2,0,0]=4 14352 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [1,0,0,1,0,0|1,0,0]=3 14353 B13R1.572 CCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000739092 [1,0,0,1,0,0|2,0,0]=4 14354 B13R1.572 COCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000233755 [1,0,0,1,0,0|2,0,0]=4 14355 B13R1.572 COCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000766300 [1,0,0,1,0,0|2,0,0]=4 14356 B13R1.572 CSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000212216 [1,0,0,1,0,0|2,0,0]=4 14357 B13R1.572 CSCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218213 [1,0,0,1,0,0|2,0,0]=4 14358 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCF 269956a_100009816435_100011217306 [1,0,0,1,0,0|2,0,0]=4 14359 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCO 269956a_100009816435_100000211926 [1,0,0,1,0,0|2,0,0]=4 14360 B13R1.572 O=C(O)[C@H]1CCCCN1CCCF 269956a_100000763471_100011934791 [1,0,0,1,0,0|2,0,0]=4 14361 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 269956a_100000763471_100011215043 [1,0,0,1,0,0|2,0,0]=4 14362 B13R1.586 CC(=O)CCCCNCC1CCC1 34a_100000738700_100009817362 [1,0,0,1,0,0|2,0,0]=4 14363 B13R1.586 CC(=O)CCCCOCC1CCC1 34a_100000760304_100009817362 [1,0,0,1,0,0|2,0,0]=4 14364 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000735457_100000763275 [1,0,0,1,0,0|2,0,0]=4 14365 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000763275_100000735457 [1,0,0,1,0,0|2,0,0]=4 14366 B13R1.586 NC(=O)CCCCCNC1CCC1 2230a_100000749019_100009817443 [1,0,0,1,0,0|2,0,0]=4 14367 B13R1.586 NC(=O)CCCCCNC1CCC1 34a_100000749019_100009817443 [1,0,0,1,0,0|2,0,0]=4 14368 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000123541_100000749161 [1,0,0,1,0,0|2,0,0]=4 14369 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000748187_100009817443 [1,0,0,1,0,0|2,0,0]=4 14370 B13R1.586 NC(=O)CCCCCSC1CCC1 62a_100009817443_100000749161 [1,0,0,1,0,0|2,0,0]=4 14371 B13R1.586 NC(=O)CCCCNCC1CCC1 269862a_100000696515_100000753134 [1,0,0,1,0,0|2,0,0]=4 14372 B13R1.586 NC(=O)CCCCNCC1CCC1 34a_100000696515_100000763275 [1,0,0,1,0,0|2,0,0]=4 14373 B13R1.586 NC(=O)CCCCOCC1CCC1 34a_100012022536_100000763275 [1,0,0,1,0,0|2,0,0]=4 14374 B13R1.586 NC(=O)CCCCOCC1CCC1 7a_100012022536_100000763275 [1,0,0,1,0,0|2,0,0]=4 14375 B13R1.586 O=C(O)COCCNCC1CCC1 269956a_100000700818_100000763275 [1,0,0,1,0,0|2,0,0]=4 14376 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [1,0,0,1,0,0|1,0,0]=3 14377 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [1,0,0,1,0,0|1,0,0]=3 14378 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210326 [1,0,0,1,0,0|2,0,0]=4 14379 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [1,0,0,1,0,0|1,0,0]=3 14380 B13R1.670 CCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210326 [1,0,0,1,0,0|2,0,0]=4 14381 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210326 [1,0,0,1,0,0|2,0,0]=4 14382 B13R1.670 CCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210147 [1,0,0,1,0,0|2,0,0]=4 14383 B13R1.670 CCSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000757381 [1,0,0,1,0,0|2,0,0]=4 14384 B13R1.670 COCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000740836 [1,0,0,1,0,0|2,0,0]=4 14385 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCF 269956a_100000743916_100000729493 [1,0,0,1,0,0|2,0,0]=4 14386 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO 269956a_100000743916_100000210776 [1,0,0,1,0,0|2,0,0]=4 14387 B13R1.1022 CC(=O)CCN1CCCCCCC1 1458a_200015187237_200000210301 [1,0,0,1,0,0|2,0,0]=4 14388 B13R1.1022 CC(=O)CCN1CCCCCCC1 269982a_100000211400_100000053229 [1,0,0,1,0,0|2,0,0]=4 14389 B13R1.1022 NC(=O)CCN1CCCCCCC1 2230a_100000211400_100000744528 [1,0,0,1,0,0|2,0,0]=4 14390 B13R1.1022 NC(=O)CCN1CCCCCCC1 269982a_100000211400_100000744528 [1,0,0,1,0,0|2,0,0]=4 14391 B13R1.1022 NC(=O)CCN1CCCCCCC1 34a_100000211400_100000731001 [1,0,0,1,0,0|2,0,0]=4 14392 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [1,0,0,1,0,0|2,0,0]=4 14393 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [1,0,0,1,0,0|2,0,0]=4 14394 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [1,0,0,1,0,0|2,0,0]=4 14395 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [1,0,0,1,0,0|2,0,0]=4 14396 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [1,0,0,1,0,0|1,0,1]=4 14397 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [1,0,0,1,0,0|1,0,1]=4 14398 B13R1.1022 [13CH3]C(=O)CCN1CCCCCCC1 1458a_200015187237_200025704644 [1,0,0,1,0,0|2,0,0]=4 14399 B13R1.1052 CC(=O)CCCCNCCC1CC1 34a_100000764129_100009817362 [1,0,0,1,0,0|2,0,0]=4 14400 B13R1.1052 CC(=O)CCCCOCCC1CC1 34a_100000754188_100009817362 [1,0,0,1,0,0|2,0,0]=4 14401 B13R1.1052 CC(=O)CCCCOCCC1CC1 7a_100000754188_100000735457 [1,0,0,1,0,0|2,0,0]=4 14402 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000735457_100000764125 [1,0,0,1,0,0|2,0,0]=4 14403 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000764125_100000735457 [1,0,0,1,0,0|2,0,0]=4 14404 B13R1.1052 NC(=O)CCCCCNCC1CC1 2230a_100000735609_100009817443 [1,0,0,1,0,0|2,0,0]=4 14405 B13R1.1052 NC(=O)CCCCCNCC1CC1 34a_100000735609_100009817443 [1,0,0,1,0,0|2,0,0]=4 14406 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000123541_100000742324 [1,0,0,1,0,0|2,0,0]=4 14407 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000211283_100009817443 [1,0,0,1,0,0|2,0,0]=4 14408 B13R1.1052 NC(=O)CCCCCOCC1CC1 7a_100000123541_100000742324 [1,0,0,1,0,0|2,0,0]=4 14409 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100000756562_100009817443 [1,0,0,1,0,0|2,0,0]=4 14410 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100009817443_100000742324 [1,0,0,1,0,0|2,0,0]=4 14411 B13R1.1052 NC(=O)CCCCNCCC1CC1 34a_100000696515_100000694398 [1,0,0,1,0,0|2,0,0]=4 14412 B13R1.1052 NC(=O)CCCCOCCC1CC1 34a_100012022536_100000694398 [1,0,0,1,0,0|2,0,0]=4 14413 B13R1.1052 NC(=O)CCCCOCCC1CC1 7a_100012022536_100000764125 [1,0,0,1,0,0|2,0,0]=4 14414 B13R1.1052 O=C(O)COCCNCCC1CC1 269956a_100000700818_100000694398 [1,0,0,1,0,0|2,0,0]=4 14415 B13R1.1052 O=C([O-])CCCCCOCC1CC1 7a_100102619762_100000742324 [1,0,0,1,0,0|1,0,1]=4 14416 B13R1.1107 NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747473 [1,0,0,1,0,0|2,0,0]=4 14417 B13R1.1107 NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000187820 [1,0,0,1,0,0|2,0,0]=4 14418 B13R1.1107 NC(=O)CN1CCCCCCCC1 34a_100000039187_100000187820 [1,0,0,1,0,0|2,0,0]=4 14419 B13R1.1107 O=C([O-])CN1CCCCCCCC1 269982a_100000039187_100020667443 [1,0,0,1,0,0|1,0,1]=4 14420 B13R1.1107 O=C([O-])CN1CCCCCCCC1 34a_100000039187_100020667443 [1,0,0,1,0,0|1,0,1]=4 14421 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [1,0,0,1,0,0|2,0,0]=4 14422 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [1,0,0,1,0,0|2,0,0]=4 14423 B13R1.1988 CC(=O)CCOC1CCCCCC1 34a_100000759926_100011217769 [1,0,0,1,0,0|2,0,0]=4 14424 B13R1.1988 CC(=O)CCOC1CCCCCC1 7a_100000210887_100000053229 [1,0,0,1,0,0|2,0,0]=4 14425 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100000053229_100011217769 [1,0,0,1,0,0|2,0,0]=4 14426 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100011217769_100000053229 [1,0,0,1,0,0|2,0,0]=4 14427 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [1,0,0,1,0,0|2,0,0]=4 14428 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [1,0,0,1,0,0|2,0,0]=4 14429 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [1,0,0,1,0,0|2,0,0]=4 14430 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [1,0,0,1,0,0|2,0,0]=4 14431 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [1,0,0,1,0,0|2,0,0]=4 14432 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [1,0,0,1,0,0|2,0,0]=4 14433 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [1,0,0,1,0,0|2,0,0]=4 14434 B13R1.1988 NC(=O)CCNC1CCCCCC1 2230a_100000210984_100000744528 [1,0,0,1,0,0|2,0,0]=4 14435 B13R1.1988 NC(=O)CCNC1CCCCCC1 34a_100000210984_100000731001 [1,0,0,1,0,0|2,0,0]=4 14436 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000210887_100000731001 [1,0,0,1,0,0|2,0,0]=4 14437 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000757172_100011217769 [1,0,0,1,0,0|2,0,0]=4 14438 B13R1.1988 NC(=O)CCOC1CCCCCC1 7a_100000210887_100000744528 [1,0,0,1,0,0|2,0,0]=4 14439 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100000744528_100011217769 [1,0,0,1,0,0|2,0,0]=4 14440 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100011217769_100000744528 [1,0,0,1,0,0|2,0,0]=4 14441 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [1,0,0,1,0,0|2,0,0]=4 14442 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [1,0,0,1,0,0|2,0,0]=4 14443 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [1,0,0,1,0,0|2,0,0]=4 14444 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [1,0,0,1,0,0|2,0,0]=4 14445 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [1,0,0,1,0,0|2,0,0]=4 14446 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [1,0,0,1,0,0|2,0,0]=4 14447 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [1,0,0,1,0,0|2,0,0]=4 14448 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [1,0,0,1,0,0|1,0,0]=3 14449 B13R1.1988 O=C(O)CONC1CCCCCC1 269956a_100000106656_100011217769 [1,0,0,1,0,0|2,0,0]=4 14450 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [1,0,0,1,0,0|1,0,1]=4 14451 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [1,0,0,1,0,0|1,0,1]=4 14452 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [1,0,0,1,0,0|1,0,1]=4 14453 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [1,0,0,1,0,0|1,0,1]=4 14454 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [1,0,0,1,0,0|1,0,0]=3 14455 B13R1.3435 CCCCOCN1CCC1C(=O)O 269956a_100000021838_100011995733 [1,0,0,1,0,0|2,0,0]=4 14456 B13R1.3435 CCCOCCN1CCC1C(=O)O 269956a_100000021838_100011215938 [1,0,0,1,0,0|2,0,0]=4 14457 B13R1.3435 CCOCCCN1CCC1C(=O)O 269956a_100000021838_100012232248 [1,0,0,1,0,0|2,0,0]=4 14458 B13R1.3435 COCCCCN1CCC1C(=O)O 269956a_100000021838_100000730899 [1,0,0,1,0,0|2,0,0]=4 14459 B13R1.3435 O=C(O)C1CCN1CCCCCF 269956a_100000021838_100000729378 [1,0,0,1,0,0|2,0,0]=4 14460 B13R1.3435 O=C(O)C1CCN1CCCCCO 269956a_100000021838_100000746330 [1,0,0,1,0,0|2,0,0]=4 14461 B15R1.137 CCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210614 [0,1,0,1,0,0|1,0,1]=4 14462 B15R1.137 CCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210614 [0,1,0,1,0,0|0,0,1]=3 14463 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000210581_100009814974 [0,1,0,1,0,0|1,0,1]=4 14464 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000210581_100009814974 [0,1,0,1,0,0|1,0,1]=4 14465 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000210581_100009814974 [0,1,0,1,0,0|1,0,1]=4 14466 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000210581_100009814974 [0,1,0,1,0,0|1,0,1]=4 14467 B15R1.137 CCCCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000743108 [0,1,0,1,0,0|1,0,1]=4 14468 B15R1.137 O=C1CC[C@H](O1)C(=O)CCCCCCF 1458a_100009814974_100015922095 [0,1,0,1,0,0|1,0,1]=4 14469 B15R1.137 O=C1CC[C@H](O1)C(=O)CCCCCCO 1458a_100009814974_100000766143 [0,1,0,1,0,0|1,0,1]=4 14470 B15R1.503 CC(=O)CCCC(=O)CCC1CCCC1 1458a_100000211120_100011215641 [0,1,0,1,0,0|1,0,1]=4 14471 B15R1.503 CC(CCCC(=O)[O-])OCC1CCCC1 7a_100000761597_100000740388 [0,1,0,1,0,0|1,0,1]=4 14472 B15R1.503 CN(CCCC(=O)O)CCC1CCCC1 269956a_100000719178_100000760354 [0,1,0,1,0,0|1,0,0]=3 14473 B15R1.503 CN(CCCC(=O)O)CCN1CCCC1 269956a_100000719178_100000004467 [0,1,0,1,0,0|2,0,0]=4 14474 B15R1.503 NC(=O)CCCC(=O)CCC1CCCC1 1458a_100000211120_100102525003 [0,1,0,1,0,0|1,0,1]=4 14475 B15R1.1081 CC(=O)CCCC(=O)CC1CCCCC1 1458a_100000211666_100011215641 [0,1,0,1,0,0|1,0,1]=4 14476 B15R1.1081 CC(=O)CCCN(C)CC1CCCCC1 269982a_100000736448_100011215641 [0,1,0,1,0,0|2,0,0]=4 14477 B15R1.1081 CC(=O)CCCN(C)CC1CCCCC1 34a_100000736448_100000685027 [0,1,0,1,0,0|2,0,0]=4 14478 B15R1.1081 CC(CCCC(=O)[O-])OC1CCCCC1 7a_100000761597_100000210327 [0,1,0,1,0,0|1,0,1]=4 14479 B15R1.1081 CN(CCCC(=O)N)CC1CCCCC1 269982a_100000736448_100102525003 [0,1,0,1,0,0|2,0,0]=4 14480 B15R1.1081 CN(CCCC(=O)N)CC1CCCCC1 34a_100000736448_100102525003 [0,1,0,1,0,0|2,0,0]=4 14481 B15R1.1081 CN(CCCC(=O)O)CC1CCCCC1 269956a_100000719178_100000211423 [0,1,0,1,0,0|1,0,0]=3 14482 B15R1.1081 CN(CCCC(=O)O)CC1CCCCO1 269956a_100000719178_100000211543 [0,1,0,1,0,0|2,0,0]=4 14483 B15R1.1081 CN(CCCC(=O)O)CC1CCCOC1 269956a_100000719178_100000741521 [0,1,0,1,0,0|2,0,0]=4 14484 B15R1.1081 CN(CCCC(=O)O)CC1CCOCC1 269956a_100000719178_100000754603 [0,1,0,1,0,0|2,0,0]=4 14485 B15R1.1081 NC(=O)CCCC(=O)CC1CCCCC1 1458a_100000211666_100102525003 [0,1,0,1,0,0|1,0,1]=4 14486 B15R1.1081 NC(=O)COC[C@@H](N)CC1CCCCC1 34a_100015184289_100000187820 [0,1,0,1,0,0|2,0,0]=4 14487 B15R1.1081 N[C@H](COCC(=O)[O-])CC1CCCCC1 34a_100015184289_100020667443 [0,1,0,1,0,0|1,0,1]=4 14488 B15R1.1159 CCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210326 [0,1,0,1,0,0|1,0,0]=3 14489 B15R1.1159 CCOCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210147 [0,1,0,1,0,0|2,0,0]=4 14490 B15R1.1159 CCSCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000757381 [0,1,0,1,0,0|2,0,0]=4 14491 B15R1.1159 COCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000740836 [0,1,0,1,0,0|2,0,0]=4 14492 B15R1.1159 O=C(O)C1CCC(CN1CCCCF)O 269956a_100000089875_100000729493 [0,1,0,1,0,0|2,0,0]=4 14493 B15R1.1159 O=C(O)C1CCC(CN1CCCCO)O 269956a_100000089875_100000210776 [0,1,0,1,0,0|2,0,0]=4 14494 B15R1.1955 CCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210614 [0,1,0,1,0,0|1,0,0]=3 14495 B15R1.1955 CCCCOCCN1CC(C1)CC(=O)O 269956a_100016993960_100000743108 [0,1,0,1,0,0|2,0,0]=4 14496 B15R1.1955 O=C(O)CC1CN(C1)CCCCCCF 269956a_100016993960_100015922095 [0,1,0,1,0,0|2,0,0]=4 14497 B15R1.1955 O=C(O)CC1CN(C1)CCCCCCO 269956a_100016993960_100000766143 [0,1,0,1,0,0|2,0,0]=4 14498 B15R1.4160 CCCCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210681 [0,1,0,1,0,0|2,0,0]=4 14499 B15R1.4160 CCCCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210681 [0,1,0,1,0,0|2,0,0]=4 14500 B15R1.4160 CCCCCCCN1CCC(C1)C(=O)N 34a_100000752358_100000210614 [0,1,0,1,0,0|2,0,0]=4 14501 B15R1.4160 CCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210757 [0,1,0,1,0,0|1,0,0]=3 14502 B15R1.4160 CCCCOCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011995733 [0,1,0,1,0,0|2,0,0]=4 14503 B15R1.4160 CCCOCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011215938 [0,1,0,1,0,0|2,0,0]=4 14504 B15R1.4160 CCOCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100012232248 [0,1,0,1,0,0|2,0,0]=4 14505 B15R1.4160 COCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000730899 [0,1,0,1,0,0|2,0,0]=4 14506 B15R1.4160 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCF 269956a_100015195206_100000729378 [0,1,0,1,0,0|2,0,0]=4 14507 B15R1.4160 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCO 269956a_100015195206_100000746330 [0,1,0,1,0,0|2,0,0]=4 14508 B15R1.5908 CCCCCCCC(=O)CC1CC(=O)C1 1458a_100000211969_100009874392 [0,1,0,1,0,0|1,0,1]=4 14509 B15R1.5908 CCCCCCCC(C)SC1CC(=O)C1 62a_100009894365_200011218727 [0,1,0,1,0,0|2,0,0]=4 14510 B15R1.5908 CCCCCCCN(C)CC1CC(=O)C1 2230a_100000228206_100009874392 [0,1,0,1,0,0|2,0,0]=4 14511 B15R1.5908 CCCCCCCN(C)CC1CC(=O)C1 269982a_100000228206_100009874392 [0,1,0,1,0,0|2,0,0]=4 14512 B15R1.8019 CC(=O)CCCC(=O)C1CCCCC1C 1458a_100011215568_100011215641 [0,1,0,1,0,0|1,0,1]=4 14513 B15R1.8019 CC1CCCCC1C(=O)CCCC(=O)N 1458a_100011215568_100102525003 [0,1,0,1,0,0|1,0,1]=4 14514 B15R1.8019 CN(CCCC(=O)O)C1CCCCC1F 269956a_100000719178_100015423560 [0,1,0,1,0,0|2,0,0]=4 14515 B15R1.8019 CN(CCCC(=O)O)C1CCCCC1O 269956a_100000719178_100000038908 [0,1,0,1,0,0|2,0,0]=4 14516 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011215641 [0,1,0,1,0,0|1,0,0]=3 14517 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000685027 [0,1,0,1,0,0|1,0,0]=3 14518 B15R1.12194 CC(=O)NCCN1CCCCCCCC1 2230a_100000039187_100000189650 [0,1,0,1,0,0|2,0,0]=4 14519 B15R1.12194 CC(=O)NCCN1CCCCCCCC1 269982a_100000039187_100000189650 [0,1,0,1,0,0|2,0,0]=4 14520 B15R1.12194 CC(=O)OCCN1CCCCCCCC1 269982a_100000039187_100009814007 [0,1,0,1,0,0|2,0,0]=4 14521 B15R1.12194 CC(=O)OCCN1CCCCCCCC1 34a_100000039187_100009814007 [0,1,0,1,0,0|2,0,0]=4 14522 B15R1.12194 CC(O)CCCN1CCCCCCCC1 2230a_100000039187_200000718107 [0,1,0,1,0,0|1,0,1]=4 14523 B15R1.12194 CC(O)CCCN1CCCCCCCC1 269982a_100000039187_200000718107 [0,1,0,1,0,0|1,0,1]=4 14524 B15R1.12194 CC(O)CCCN1CCCCCCCC1 34a_100000039187_200000718107 [0,1,0,1,0,0|1,0,1]=4 14525 B15R1.12194 CC(O)CCNC1CCCCCCCC1 270004a_200000755665_100000038600 [0,1,0,1,0,0|1,0,1]=4 14526 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100102525003 [0,1,0,1,0,0|1,0,0]=3 14527 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 34a_100000039187_100102525003 [0,1,0,1,0,0|1,0,0]=3 14528 B15R1.12194 NC(=O)NCCN1CCCCCCCC1 2230a_100000039187_200000034859 [0,1,0,1,0,0|2,0,0]=4 14529 B15R1.12194 NC(=O)NCCN1CCCCCCCC1 269982a_100000039187_200000034859 [0,1,0,1,0,0|2,0,0]=4 14530 B15R1.12194 NC(=O)OCCN1CCCCCCCC1 269982a_100000039187_200011214921 [0,1,0,1,0,0|2,0,0]=4 14531 B15R1.12194 NC(=O)OCCN1CCCCCCCC1 34a_100000039187_200011214921 [0,1,0,1,0,0|2,0,0]=4 14532 B15R1.31246 CC(=O)CCCC(=O)C1CCCCCC1 1458a_100000749507_100011215641 [0,1,0,1,0,0|1,0,1]=4 14533 B15R1.31246 CC(=O)CCCN(C)C1CCCCCC1 269982a_100015185097_100011215641 [0,1,0,1,0,0|2,0,0]=4 14534 B15R1.31246 CC(=O)CCCN(C)C1CCCCCC1 34a_100015185097_100000685027 [0,1,0,1,0,0|2,0,0]=4 14535 B15R1.31246 CN(CCCC(=O)N)C1CCCCCC1 269982a_100015185097_100102525003 [0,1,0,1,0,0|2,0,0]=4 14536 B15R1.31246 CN(CCCC(=O)N)C1CCCCCC1 34a_100015185097_100102525003 [0,1,0,1,0,0|2,0,0]=4 14537 B15R1.31246 CN(CCCC(=O)O)C1CCCCCC1 269956a_100000719178_100011217769 [0,1,0,1,0,0|1,0,0]=3 14538 B15R1.31246 NC(=O)CCCC(=O)C1CCCCCC1 1458a_100000749507_100102525003 [0,1,0,1,0,0|1,0,1]=4 14539 B15R1.110 CC(C)CCCCCNC1COC(=O)O1 34a_100011290863_100000032252 [0,1,0,1,0,0|2,0,0]=4 14540 B15R1.110 CC(C)CCCCCOC1CCC(=O)C1 34a_100012614533_100000210682 [0,1,0,1,0,0|2,0,0]=4 14541 B15R1.110 CC(C)CCCCCOC1COC(=O)O1 34a_100011995859_100000032252 [0,1,0,1,0,0|2,0,0]=4 14542 B15R1.110 CC(C)CCCCCSC1COC(=O)O1 62a_100000210682_100000032252 [0,1,0,1,0,0|2,0,0]=4 14543 B15R1.110 CC(C)CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011216152 [0,1,0,1,0,0|2,0,0]=4 14544 B15R1.110 CC(C)CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011216152 [0,1,0,1,0,0|2,0,0]=4 14545 B15R1.110 CC(C)CCCCOCC1CCC(=O)N1 34a_100000737831_100011216152 [0,1,0,1,0,0|2,0,0]=4 14546 B15R1.110 CC(C)CCCCOCC1CNC(=O)O1 34a_100011214890_100000181169 [0,1,0,1,0,0|2,0,0]=4 14547 B15R1.110 CC(C)CCCCOCC1CNC(=O)O1 34a_100011315639_100011216152 [0,1,0,1,0,0|2,0,0]=4 14548 B15R1.110 CC(C)CCCCOCC1CNC(=O)O1 7a_100011214890_100000181169 [0,1,0,1,0,0|2,0,0]=4 14549 B15R1.110 CC(C)CCCCOCC1COC(=O)O1 34a_100011214890_100000073702 [0,1,0,1,0,0|2,0,0]=4 14550 B15R1.110 CC(C)CCCCOC[C@@H]1CCC(=O)N1 7a_100011214890_100015189358 [0,1,0,1,0,0|2,0,0]=4 14551 B15R1.110 CC(C)CCCCSCC1CNC(=O)O1 62a_100000181169_100011216152 [0,1,0,1,0,0|2,0,0]=4 14552 B15R1.110 CC(C)CCCCSCC1CNC(=O)O1 62a_100011216152_100000181169 [0,1,0,1,0,0|2,0,0]=4 14553 B15R1.110 CC(C)CCCCSCC1COC(=O)O1 62a_100000073702_100011216152 [0,1,0,1,0,0|2,0,0]=4 14554 B15R1.110 CC(C)CCCCSCC1COC(=O)O1 62a_100011216152_100000073702 [0,1,0,1,0,0|2,0,0]=4 14555 B15R1.110 CC(C)CCCCSC[C@@H]1CCC(=O)N1 62a_100011216152_100015189358 [0,1,0,1,0,0|2,0,0]=4 14556 B15R1.110 CC(C)CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011216152 [0,1,0,1,0,0|2,0,0]=4 14557 B15R1.110 CC1CCC(C1)OCCCCCC(=O)N 34a_100000698185_100009817443 [0,1,0,1,0,0|2,0,0]=4 14558 B15R1.110 NC(=O)CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009817443 [0,1,0,1,0,0|2,0,0]=4 14559 B15R1.119 CC(=O)CCCCNC1CCCC(C1)C 34a_100011194320_100009817362 [0,1,0,1,0,0|2,0,0]=4 14560 B15R1.119 CC(=O)CCCCOC1CCCC(C1)C 34a_100000211399_100009817362 [0,1,0,1,0,0|2,0,0]=4 14561 B15R1.119 CC(C)CCCCOC1CCCC(=O)C1 34a_100012613340_100011216152 [0,1,0,1,0,0|2,0,0]=4 14562 B15R1.119 CC(C)CCCOCC1CCCC(=O)N1 34a_200000102386_100011214892 [0,1,0,1,0,0|2,0,0]=4 14563 B15R1.119 CC(O)CCCOCC1CCCC(=O)N1 34a_200000102386_200000718107 [0,1,0,1,0,0|2,0,0]=4 14564 B15R1.119 CC1CCCC(C1)NCCCCC(=O)N 270004a_100000696515_100000183594 [0,1,0,1,0,0|2,0,0]=4 14565 B15R1.119 C[C@H]1CCCN(C1)CCCCCC(=O)N 2230a_100000717927_100009817443 [0,1,0,1,0,0|2,0,0]=4 14566 B15R1.119 C[C@H]1CCCN(C1)CCCCCC(=O)N 269982a_100000717927_100009817443 [0,1,0,1,0,0|2,0,0]=4 14567 B15R1.119 C[C@H]1CCCN(C1)CCCCCC(=O)N 34a_100000717927_100009817443 [0,1,0,1,0,0|2,0,0]=4 14568 B15R1.119 NC(=O)CCCCCN1CCCC(C1)F 2230a_100000697950_100009817443 [0,1,0,1,0,0|2,0,0]=4 14569 B15R1.119 NC(=O)CCCCCN1CCCC(C1)F 269982a_100000697950_100009817443 [0,1,0,1,0,0|2,0,0]=4 14570 B15R1.119 NC(=O)CCCCCN1CCCC(C1)F 34a_100000697950_100009817443 [0,1,0,1,0,0|2,0,0]=4 14571 B15R1.119 NC(=O)CCCCCN1CCCC(C1)O 2230a_100000211013_100009817443 [0,1,0,1,0,0|2,0,0]=4 14572 B15R1.119 NC(=O)CCCCCN1CCCC(C1)O 269982a_100000211013_100009817443 [0,1,0,1,0,0|2,0,0]=4 14573 B15R1.119 NC(=O)CCCCNC1CCCC(C1)O 270004a_100000696515_100012613340 [0,1,0,1,0,0|2,0,0]=4 14574 B15R1.361 CC(=O)OCCCCCOCC1CC1C 34a_100000744939_100000033007 [0,1,0,1,0,0|2,0,0]=4 14575 B15R1.361 CC(=O)OCCCCCOCC1CC1C 7a_100000744939_100000033007 [0,1,0,1,0,0|2,0,0]=4 14576 B15R1.361 CC1CC1COCCCCCCB(O)O 34a_100000744939_100009817187 [0,1,0,1,0,0|1,0,1]=4 14577 B15R1.361 CC1CC1COCCCCCCB(O)O 7a_100000744939_100009817187 [0,1,0,1,0,0|1,0,1]=4 14578 B15R1.5914 C=C(C)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000748629 [0,1,0,1,0,0|1,0,1]=4 14579 B15R1.5914 CC(C)CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210312 [0,1,0,1,0,0|2,0,0]=4 14580 B15R1.5914 CC(C)CCN1CCCCC1CC(=O)N 269982a_100015184752_100000210312 [0,1,0,1,0,0|2,0,0]=4 14581 B15R1.5914 CC(C)CCN1CCCCC1CC(=O)N 34a_100015184752_100000210312 [0,1,0,1,0,0|2,0,0]=4 14582 B15R1.5914 CC(C)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000210760 [0,1,0,1,0,0|1,0,0]=3 14583 B15R1.5914 CC(O)CCN1CCCCC1CC(=O)N 2230a_100015184752_100012276601 [0,1,0,1,0,0|2,0,0]=4 14584 B15R1.5914 CC(O)CCN1CCCCC1CC(=O)N 269982a_100015184752_100012276601 [0,1,0,1,0,0|2,0,0]=4 14585 B15R1.5914 CC(O)CCN1CCCCC1CC(=O)N 34a_100015184752_100012276601 [0,1,0,1,0,0|2,0,0]=4 14586 B15R1.5914 CC(O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100011218427 [0,1,0,1,0,0|1,0,0]=3 14587 B15R1.5914 C[C@@H](O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100009817552 [0,1,0,1,0,0|1,0,0]=3 14588 B15R1.5914 O=C(O)CCC1CCCCN1CC(F)F 269956a_100000694054_100011934356 [0,1,0,1,0,0|2,0,0]=4 14589 B15R1.6603 CC(=O)CCCCN1CCCCC(C1)O 269982a_100025706797_100000735457 [0,1,0,1,0,0|2,0,0]=4 14590 B15R1.6753 CC(C)CCCCCNCC1CC(=O)C1 2230a_100011290863_100009874392 [0,1,0,1,0,0|2,0,0]=4 14591 B15R1.6753 CC(C)CCCCCOCC1CC(=O)C1 34a_100000101936_100000210682 [0,1,0,1,0,0|2,0,0]=4 14592 B15R1.6753 CC(C)CCCCCOCC1CC(=O)C1 7a_100011995859_100009874392 [0,1,0,1,0,0|2,0,0]=4 14593 B15R1.6753 CC(C)CCCCCSCC1CC(=O)C1 62a_100000210682_100009874392 [0,1,0,1,0,0|2,0,0]=4 14594 B15R1.6753 CC(C)CCCCCSCC1CC(=O)C1 62a_100009874392_100000210682 [0,1,0,1,0,0|2,0,0]=4 14595 B15R1.6753 NC(=O)CCCCCNCC1CC(C1)O 2230a_100016992100_100009817443 [0,1,0,1,0,0|2,0,0]=4 14596 B15R1.6753 NC(=O)CCCCCOCC1CC(C1)Cl 34a_100009874164_100009817443 [0,1,0,1,0,0|2,0,0]=4 14597 B15R1.8882 C=C(C)CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000730704 [0,1,0,1,0,0|1,0,1]=4 14598 B15R1.8882 CC(=O)CCCN1CCCCC1C(C)C 269982a_100000757267_100011215641 [0,1,0,1,0,0|2,0,0]=4 14599 B15R1.8882 CC(=O)CCCN1CCCCC1C(C)C 34a_100000757267_100000685027 [0,1,0,1,0,0|2,0,0]=4 14600 B15R1.8882 CC(=O)CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215641 [0,1,0,1,0,0|1,0,1]=4 14601 B15R1.8882 CC(=O)CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000053229 [0,1,0,1,0,0|1,0,1]=4 14602 B15R1.8882 CC(=O)CCOC1CCCCC1C(C)C 7a_100011709184_100000053229 [0,1,0,1,0,0|2,0,0]=4 14603 B15R1.8882 CC(C)C1CCCCC1OCCC(=O)N 34a_100011709184_100000731001 [0,1,0,1,0,0|2,0,0]=4 14604 B15R1.8882 CC(C)C1CCCCC1OCCC(=O)N 7a_100011709184_100000744528 [0,1,0,1,0,0|2,0,0]=4 14605 B15R1.8882 CC(C)C1CCCCN1CCCC(=O)N 269982a_100000757267_100102525003 [0,1,0,1,0,0|2,0,0]=4 14606 B15R1.8882 CC(C)C1CCCCN1CCCC(=O)N 34a_100000757267_100102525003 [0,1,0,1,0,0|2,0,0]=4 14607 B15R1.8882 CC(C)CCCN1CCCCC1C(=O)N 2230a_100000181395_100011214892 [0,1,0,1,0,0|2,0,0]=4 14608 B15R1.8882 CC(C)CCCN1CCCCC1C(=O)N 269982a_100000181395_100011214892 [0,1,0,1,0,0|2,0,0]=4 14609 B15R1.8882 CC(C)CCCN1CCCCC1C(=O)N 34a_100000181395_100011214892 [0,1,0,1,0,0|2,0,0]=4 14610 B15R1.8882 CC(C)CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011214892 [0,1,0,1,0,0|1,0,0]=3 14611 B15R1.8882 CC(C)CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011214892 [0,1,0,1,0,0|2,0,0]=4 14612 B15R1.8882 CC(C)CCCN1CCSCC1C(=O)O 269956a_100011346106_100011214892 [0,1,0,1,0,0|2,0,0]=4 14613 B15R1.8882 CC(C)CCCN1CSCCC1C(=O)O 269956a_100015185162_100011214892 [0,1,0,1,0,0|2,0,0]=4 14614 B15R1.8882 CC(C)CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210312 [0,1,0,1,0,0|1,0,0]=3 14615 B15R1.8882 CC(C)OCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000211751 [0,1,0,1,0,0|2,0,0]=4 14616 B15R1.8882 CC(C)OCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000709892 [0,1,0,1,0,0|2,0,0]=4 14617 B15R1.8882 CC(C)SCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730970 [0,1,0,1,0,0|2,0,0]=4 14618 B15R1.8882 CC(O)CCCN1CCCCC1C(=O)N 2230a_100000181395_200000718107 [0,1,0,1,0,0|2,0,0]=4 14619 B15R1.8882 CC(O)CCCN1CCCCC1C(=O)N 269982a_100000181395_200000718107 [0,1,0,1,0,0|2,0,0]=4 14620 B15R1.8882 CC(O)CCCN1CCCCC1C(=O)N 34a_100000181395_200000718107 [0,1,0,1,0,0|2,0,0]=4 14621 B15R1.8882 CC(O)CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000718107 [0,1,0,1,0,0|1,0,0]=3 14622 B15R1.8882 CC(O)CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000718107 [0,1,0,1,0,0|2,0,0]=4 14623 B15R1.8882 CC(O)CCCN1CCSCC1C(=O)O 269956a_100011346106_200000718107 [0,1,0,1,0,0|2,0,0]=4 14624 B15R1.8882 CC(O)CCCN1CSCCC1C(=O)O 269956a_100015185162_200000718107 [0,1,0,1,0,0|2,0,0]=4 14625 B15R1.8882 CC(O)CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012276601 [0,1,0,1,0,0|1,0,0]=3 14626 B15R1.8882 CN(C)CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000757444 [0,1,0,1,0,0|2,0,0]=4 14627 B15R1.8882 CN(C)CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000755713 [0,1,0,1,0,0|2,0,0]=4 14628 B15R1.8884 CC(=O)CCCN1CCCC1CC(C)C 269982a_100000748429_100011215641 [0,1,0,1,0,0|2,0,0]=4 14629 B15R1.8884 CC(=O)CCCN1CCCC1CC(C)C 34a_100000748429_100000685027 [0,1,0,1,0,0|2,0,0]=4 14630 B15R1.8884 CC(C)CC1CCCN1CCCC(=O)N 269982a_100000748429_100102525003 [0,1,0,1,0,0|2,0,0]=4 14631 B15R1.8884 CC(C)CC1CCCN1CCCC(=O)N 34a_100000748429_100102525003 [0,1,0,1,0,0|2,0,0]=4 14632 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)N 2230a_100000759364_100000747473 [0,1,0,1,0,0|2,0,0]=4 14633 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)N 269982a_100000759364_100000187820 [0,1,0,1,0,0|2,0,0]=4 14634 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)N 34a_100000759364_100000187820 [0,1,0,1,0,0|2,0,0]=4 14635 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)[O-] 269982a_100000759364_100020667443 [0,1,0,1,0,0|1,0,1]=4 14636 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)[O-] 34a_100000759364_100020667443 [0,1,0,1,0,0|1,0,1]=4 14637 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 2230a_200011996284_100000742324 [0,1,0,1,0,0|2,0,0]=4 14638 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 269862a_200011996284_100000741477 [0,1,0,1,0,0|2,0,0]=4 14639 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 34a_200011996284_100000742324 [0,1,0,1,0,0|2,0,0]=4 14640 B15R1.8900 CC(=O)NCCCCCNCCC1CC1 2230a_200012022750_100000694398 [0,1,0,1,0,0|2,0,0]=4 14641 B15R1.8900 CC(=O)NCCCCCNCCC1CC1 34a_200012022750_100000694398 [0,1,0,1,0,0|2,0,0]=4 14642 B15R1.8900 CC(=O)OCCCCCNCCC1CC1 34a_100000764129_100000033007 [0,1,0,1,0,0|2,0,0]=4 14643 B15R1.8900 CC(=O)OCCCCCOCCC1CC1 34a_100000754188_100000033007 [0,1,0,1,0,0|2,0,0]=4 14644 B15R1.8900 CC(=O)OCCCCCOCCC1CC1 7a_100000754188_100000033007 [0,1,0,1,0,0|2,0,0]=4 14645 B15R1.8900 CC(=O)OCCCCCSCCC1CC1 62a_100000033007_100000764125 [0,1,0,1,0,0|2,0,0]=4 14646 B15R1.8900 CC(=O)OCCCCCSCCC1CC1 62a_100000764125_100000033007 [0,1,0,1,0,0|2,0,0]=4 14647 B15R1.8900 CC(=O)SCCCCCCNCC1CC1 269862a_100000704104_100000741477 [0,1,0,1,0,0|2,0,0]=4 14648 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 34a_100000123541_100000733510 [0,1,0,1,0,0|2,0,0]=4 14649 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 7a_100000123541_100000733510 [0,1,0,1,0,0|2,0,0]=4 14650 B15R1.8900 NC(=O)CCCCCOCCNC1CC1 34a_100000738766_100009817443 [0,1,0,1,0,0|2,0,0]=4 14651 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100000733510_100009817443 [0,1,0,1,0,0|2,0,0]=4 14652 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100009817443_100000733510 [0,1,0,1,0,0|2,0,0]=4 14653 B15R1.8900 O=C(O)COCCOCCNCC1CC1 269956a_100009854275_100000742324 [0,1,0,1,0,0|2,0,0]=4 14654 B15R1.8900 O=C([O-])CCCCCOCCCC1CO1 7a_100102619762_100000733510 [0,1,0,1,0,0|1,0,1]=4 14655 B15R1.8900 OB(O)CCCCCCNCCC1CC1 34a_100000764129_100009817187 [0,1,0,1,0,0|1,0,1]=4 14656 B15R1.8900 OB(O)CCCCCCOCCC1CC1 34a_100000754188_100009817187 [0,1,0,1,0,0|1,0,1]=4 14657 B15R1.8900 OB(O)CCCCCCOCCC1CC1 7a_100000754188_100009817187 [0,1,0,1,0,0|1,0,1]=4 14658 B15R1.8900 OB(O)CCCCCCSCCC1CC1 62a_100000764125_100009817187 [0,1,0,1,0,0|1,0,1]=4 14659 B15R1.8900 OB(O)CCCCCCSCCC1CC1 62a_100009817187_100000764125 [0,1,0,1,0,0|1,0,1]=4 14660 B15R1.8943 CC1(CCCCC1NCCCC(=O)N)C 269862a_100000739312_100000031690 [0,1,0,1,0,0|2,0,0]=4 14661 B15R1.8944 CC(=O)CCCCN1CCCC1C(C)C 269982a_100000762757_100000735457 [0,1,0,1,0,0|2,0,0]=4 14662 B15R1.8944 CC(=O)CCCCN1CCCC1C(C)C 34a_100000762757_100009817362 [0,1,0,1,0,0|2,0,0]=4 14663 B15R1.8944 CC(=O)CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000735457 [0,1,0,1,0,0|1,0,1]=4 14664 B15R1.8944 CC(C)CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011216152 [0,1,0,1,0,0|2,0,0]=4 14665 B15R1.8944 CC(C)CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011216152 [0,1,0,1,0,0|1,0,0]=3 14666 B15R1.8944 CC(C)CCCCN1CCSC1C(=O)O 269956a_100000035718_100011216152 [0,1,0,1,0,0|2,0,0]=4 14667 B15R1.8944 CC(C)CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011216152 [0,1,0,1,0,0|2,0,0]=4 14668 B15R1.8944 CN(C)CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000690147 [0,1,0,1,0,0|2,0,0]=4 14669 B15R1.8959 CC(C)CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210682 [0,1,0,1,0,0|1,0,0]=3 14670 B15R1.8972 CC(=O)CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100009817362 [0,1,0,1,0,0|2,0,0]=4 14671 B15R1.8972 CC(=O)CCCCOC1CCCC1(C)C 34a_100000726220_100009817362 [0,1,0,1,0,0|2,0,0]=4 14672 B15R1.8972 CC(=O)CCCCOC1CCCC1(C)C 7a_100000726220_100000735457 [0,1,0,1,0,0|2,0,0]=4 14673 B15R1.8972 CC1(CCCC1NCCCCC(=O)N)C 269862a_100000696515_100000065263 [0,1,0,1,0,0|2,0,0]=4 14674 B15R1.8972 CC1(CCCN1CCCCCC(=O)N)C 2230a_100000761399_100009817443 [0,1,0,1,0,0|2,0,0]=4 14675 B15R1.8972 CC1(CCCN1CCCCCC(=O)N)C 269982a_100000761399_100009817443 [0,1,0,1,0,0|2,0,0]=4 14676 B15R1.8972 CC1(CCCN1CCCCCC(=O)N)C 34a_100000761399_100009817443 [0,1,0,1,0,0|2,0,0]=4 14677 B15R1.12182 C=C(C)CCN1CCCCCC1C(=O)O 269956a_100000758484_100000730704 [0,1,0,1,0,0|1,0,1]=4 14678 B15R1.12182 CC(=O)CCN1CCCCCC1C(=O)O 269956a_100000758484_100000053229 [0,1,0,1,0,0|1,0,1]=4 14679 B15R1.12182 CC(=O)CCN1CCCCCC1C(C)C 269982a_100000697956_100000053229 [0,1,0,1,0,0|2,0,0]=4 14680 B15R1.12182 CC(C)C1CCCCCN1CCC(=O)N 2230a_100000697956_100000744528 [0,1,0,1,0,0|2,0,0]=4 14681 B15R1.12182 CC(C)C1CCCCCN1CCC(=O)N 269982a_100000697956_100000744528 [0,1,0,1,0,0|2,0,0]=4 14682 B15R1.12182 CC(C)C1CCCCCN1CCC(=O)N 34a_100000697956_100000731001 [0,1,0,1,0,0|2,0,0]=4 14683 B15R1.12182 CC(C)CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210312 [0,1,0,1,0,0|1,0,0]=3 14684 B15R1.12182 CC(C)OCN1CCCCCC1C(=O)O 269956a_100000758484_100000709892 [0,1,0,1,0,0|2,0,0]=4 14685 B15R1.12182 CC(O)CCN1CCCCCC1C(=O)O 269956a_100000758484_100012276601 [0,1,0,1,0,0|1,0,0]=3 14686 B15R1.12182 CN(C)CCN1CCCCCC1C(=O)O 269956a_100000758484_100000755713 [0,1,0,1,0,0|2,0,0]=4 14687 B15R1.12256 CC(C)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210206 [0,1,0,1,0,0|1,0,0]=3 14688 B15R1.31278 CC1(CC1COCCCCCC(=O)N)C 34a_100000728257_100009817443 [0,1,0,1,0,0|2,0,0]=4 14689 B15R1.31278 CC1(CC1COCCCCCC(=O)N)C 7a_100000728257_100009817443 [0,1,0,1,0,0|2,0,0]=4 14690 B15R1.127 CCCCC(C)OCC1CCCC(=O)N1 34a_200000102386_200011215066 [0,1,0,1,0,0|2,0,0]=4 14691 B15R1.131 CC(=O)CCCCNC1CCCCC1C 34a_100000211402_100009817362 [0,1,0,1,0,0|1,0,0]=3 14692 B15R1.131 CC(=O)CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817362 [0,1,0,1,0,0|2,0,0]=4 14693 B15R1.131 CC(=O)CCCCOC1CCCCC1C 34a_100000211207_100009817362 [0,1,0,1,0,0|1,0,0]=3 14694 B15R1.131 CC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000735457 [0,1,0,1,0,0|1,0,0]=3 14695 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 34a_100000038908_100009817362 [0,1,0,1,0,0|2,0,0]=4 14696 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 7a_100000038908_100000735457 [0,1,0,1,0,0|2,0,0]=4 14697 B15R1.131 CC(=O)CCCCOC1CCNCC1C 34a_100011998114_100009817362 [0,1,0,1,0,0|2,0,0]=4 14698 B15R1.131 CC(=O)CCCCOC1CNCCC1C 34a_100000696640_100009817362 [0,1,0,1,0,0|2,0,0]=4 14699 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817362 [0,1,0,1,0,0|2,0,0]=4 14700 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000735457 [0,1,0,1,0,0|2,0,0]=4 14701 B15R1.131 CC(=O)CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817362 [0,1,0,1,0,0|2,0,0]=4 14702 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100000735457_100015423560 [0,1,0,1,0,0|2,0,0]=4 14703 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100015423560_100000735457 [0,1,0,1,0,0|2,0,0]=4 14704 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000038908_100000735457 [0,1,0,1,0,0|2,0,0]=4 14705 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000735457_100000038908 [0,1,0,1,0,0|2,0,0]=4 14706 B15R1.131 CC(=O)CCCNCC1CCCCC1O 34a_100011216029_100000685027 [0,1,0,1,0,0|2,0,0]=4 14707 B15R1.131 CC(=O)CCCNCC1CCCCN1C 34a_100011228421_100000685027 [0,1,0,1,0,0|2,0,0]=4 14708 B15R1.131 CC(=O)CCCOCC1CCCCN1C 34a_100000225079_100000685027 [0,1,0,1,0,0|2,0,0]=4 14709 B15R1.131 CC(=O)CCCOCC1CCCCN1C 34a_100000759063_100015186950 [0,1,0,1,0,0|2,0,0]=4 14710 B15R1.131 CC(=O)CCCOCC1CCCCN1C 7a_100000759063_100015185383 [0,1,0,1,0,0|2,0,0]=4 14711 B15R1.131 CC(=O)CCCSCC1CCCCN1C 62a_100011215641_100015185383 [0,1,0,1,0,0|2,0,0]=4 14712 B15R1.131 CC(=O)CCCSCC1CCCCN1C 62a_100015185383_100011215641 [0,1,0,1,0,0|2,0,0]=4 14713 B15R1.131 CC(=O)CCOCCC1CCCCN1C 34a_100000759926_100000211948 [0,1,0,1,0,0|2,0,0]=4 14714 B15R1.131 CC(=O)CCOCCC1CCCCN1C 7a_100000759926_100000211948 [0,1,0,1,0,0|2,0,0]=4 14715 B15R1.131 CC(=O)CCSCCC1CCCCN1C 62a_100000053229_100000211948 [0,1,0,1,0,0|2,0,0]=4 14716 B15R1.131 CC(=O)CCSCCC1CCCCN1C 62a_100000211948_100000053229 [0,1,0,1,0,0|2,0,0]=4 14717 B15R1.131 CC(=O)NCCCNC1CCCCC1C 269862a_100000736810_100000210921 [0,1,0,1,0,0|2,0,0]=4 14718 B15R1.131 CC(=O)NCCCNC1CCCCC1C 270004a_100000736810_100000210921 [0,1,0,1,0,0|2,0,0]=4 14719 B15R1.131 CC(=O)OCCCCN1CCCCC1C 269982a_100000211376_100000033659 [0,1,0,1,0,0|2,0,0]=4 14720 B15R1.131 CC(=O)OCCCCN1CCCCC1C 34a_100000211376_100000033659 [0,1,0,1,0,0|2,0,0]=4 14721 B15R1.131 CC(=O)OCCCNC1CCCCC1C 34a_100000211402_100000042594 [0,1,0,1,0,0|2,0,0]=4 14722 B15R1.131 CC(=O)OCCCOC1CCCCC1C 34a_100000211207_100000042594 [0,1,0,1,0,0|2,0,0]=4 14723 B15R1.131 CC(=O)OCCCOC1CCCCC1C 7a_100000211207_100000042594 [0,1,0,1,0,0|2,0,0]=4 14724 B15R1.131 CC(=O)SCCCCN1CCCCC1C 2230a_100000211376_200010402107 [0,1,0,1,0,0|2,0,0]=4 14725 B15R1.131 CC(=O)SCCCCN1CCCCC1C 269982a_100000211376_200010402107 [0,1,0,1,0,0|2,0,0]=4 14726 B15R1.131 CC(=O)SCCCCN1CCCCC1C 34a_100000211376_200010402107 [0,1,0,1,0,0|2,0,0]=4 14727 B15R1.131 CC(=O)SCCCNC1CCCCC1C 2230a_100000211402_100000038929 [0,1,0,1,0,0|2,0,0]=4 14728 B15R1.131 CC(=O)SCCCNC1CCCCC1C 34a_100000211402_100000038929 [0,1,0,1,0,0|2,0,0]=4 14729 B15R1.131 CC(=O)SCCCOC1CCCCC1C 34a_100000211207_100000038929 [0,1,0,1,0,0|2,0,0]=4 14730 B15R1.131 CC(=O)SCCCOC1CCCCC1C 7a_100000211207_100000038929 [0,1,0,1,0,0|2,0,0]=4 14731 B15R1.131 CC1CCCCC1NCCCCB(O)O 2230a_100000211402_200009817182 [0,1,0,1,0,0|1,0,1]=4 14732 B15R1.131 CC1CCCCC1NCCCCB(O)O 34a_100000211402_200009817182 [0,1,0,1,0,0|1,0,1]=4 14733 B15R1.131 CC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000210921 [0,1,0,1,0,0|1,0,0]=3 14734 B15R1.131 CC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000210921 [0,1,0,1,0,0|1,0,0]=3 14735 B15R1.131 CC1CCCCC1NCCOCC(=O)N 2230a_100000211402_100000076697 [0,1,0,1,0,0|2,0,0]=4 14736 B15R1.131 CC1CCCCC1NCCOCC(=O)N 34a_100000211402_100000076697 [0,1,0,1,0,0|2,0,0]=4 14737 B15R1.131 CC1CCCCC1OCCCCB(O)O 34a_100000211207_200009817182 [0,1,0,1,0,0|1,0,1]=4 14738 B15R1.131 CC1CCCCC1OCCCCB(O)O 7a_100000211207_200009817182 [0,1,0,1,0,0|1,0,1]=4 14739 B15R1.131 CC1CCCCC1OCCOCC(=O)N 34a_100000211207_100000076697 [0,1,0,1,0,0|2,0,0]=4 14740 B15R1.131 CC1CCCCC1OCCOCC(=O)N 7a_100000211207_100000076697 [0,1,0,1,0,0|2,0,0]=4 14741 B15R1.131 CC1CCCCN1CCCCCB(O)O 2230a_100000211376_200009817188 [0,1,0,1,0,0|1,0,1]=4 14742 B15R1.131 CC1CCCCN1CCCCCB(O)O 269982a_100000211376_200009817188 [0,1,0,1,0,0|1,0,1]=4 14743 B15R1.131 CC1CCCCN1CCCCCB(O)O 34a_100000211376_200009817188 [0,1,0,1,0,0|1,0,1]=4 14744 B15R1.131 CC1CCCCN1CCCCCC(=O)N 2230a_100000211376_100009817443 [0,1,0,1,0,0|1,0,0]=3 14745 B15R1.131 CC1CCCCN1CCCCCC(=O)N 269982a_100000211376_100009817443 [0,1,0,1,0,0|1,0,0]=3 14746 B15R1.131 CC1CCCCN1CCCCCC(=O)N 34a_100000211376_100009817443 [0,1,0,1,0,0|1,0,0]=3 14747 B15R1.131 CC1CCCCN1CCCNCC(=O)N 34a_100000212276_100000187820 [0,1,0,1,0,0|2,0,0]=4 14748 B15R1.131 CC1CCCCN1CCCNCC(=O)[O-] 34a_100000212276_100020667443 [0,1,0,1,0,0|1,0,1]=4 14749 B15R1.131 CC1CCCCN1CCCOCC(=O)N 34a_100000213889_100000187820 [0,1,0,1,0,0|2,0,0]=4 14750 B15R1.131 CC1CCCCN1CCCOCC(=O)N 7a_100000213889_100000187820 [0,1,0,1,0,0|2,0,0]=4 14751 B15R1.131 CC1CCCCN1CCCOCC(=O)[O-] 34a_100000213889_100020667443 [0,1,0,1,0,0|1,0,1]=4 14752 B15R1.131 CC1CCCCN1CCNCCC(=O)N 2230a_100000739827_100000744528 [0,1,0,1,0,0|2,0,0]=4 14753 B15R1.131 CC1CCCCN1CCNCCC(=O)N 34a_100000739827_100000731001 [0,1,0,1,0,0|2,0,0]=4 14754 B15R1.131 CC1CCCCN1CCOCCC(=O)N 34a_100011305533_100000731001 [0,1,0,1,0,0|2,0,0]=4 14755 B15R1.131 CC1CNCCC1NCCCCC(=O)N 270004a_100000696515_100000703950 [0,1,0,1,0,0|2,0,0]=4 14756 B15R1.131 CC1COCCC1NCCCCC(=O)N 270004a_100000696515_100000755695 [0,1,0,1,0,0|2,0,0]=4 14757 B15R1.131 CN1CCCCC1CCNOCC(=O)O 269956a_100000106656_100000211948 [0,1,0,1,0,0|2,0,0]=4 14758 B15R1.131 CN1CCCCC1CCOCCC(=O)N 34a_100000757172_100000211948 [0,1,0,1,0,0|2,0,0]=4 14759 B15R1.131 CN1CCCCC1CCOCCC(=O)N 7a_100000757172_100000211948 [0,1,0,1,0,0|2,0,0]=4 14760 B15R1.131 CN1CCCCC1CCSCCC(=O)N 62a_100000211948_100000744528 [0,1,0,1,0,0|2,0,0]=4 14761 B15R1.131 CN1CCCCC1CCSCCC(=O)N 62a_100000744528_100000211948 [0,1,0,1,0,0|2,0,0]=4 14762 B15R1.131 CN1CCCCC1CNCCCC(=O)N 34a_100000739312_100015186950 [0,1,0,1,0,0|2,0,0]=4 14763 B15R1.131 CN1CCCCC1CNCCCC(=O)N 34a_100011228421_100102525003 [0,1,0,1,0,0|2,0,0]=4 14764 B15R1.131 CN1CCCCC1COCCCC(=O)N 34a_100000225079_100102525003 [0,1,0,1,0,0|2,0,0]=4 14765 B15R1.131 CN1CCCCC1CSCCCC(=O)N 62a_100015185383_100102525003 [0,1,0,1,0,0|2,0,0]=4 14766 B15R1.131 CN1CCCCC1CSCCCC(=O)N 62a_100102525003_100015185383 [0,1,0,1,0,0|2,0,0]=4 14767 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 2230a_100009815349_100009817443 [0,1,0,1,0,0|2,0,0]=4 14768 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 269982a_100009815349_100009817443 [0,1,0,1,0,0|2,0,0]=4 14769 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 34a_100009815349_100009817443 [0,1,0,1,0,0|2,0,0]=4 14770 B15R1.131 NC(=O)CCCCNC1CCCCC1F 34a_100000696515_100015423560 [0,1,0,1,0,0|2,0,0]=4 14771 B15R1.131 NC(=O)CCCCNC1CCCCC1O 34a_100000696515_100000038908 [0,1,0,1,0,0|2,0,0]=4 14772 B15R1.131 NC(=O)CCCCOC1CCCCC1F 34a_100012022536_100015423560 [0,1,0,1,0,0|2,0,0]=4 14773 B15R1.131 NC(=O)CCCCOC1CCCCC1O 34a_100012022536_100000038908 [0,1,0,1,0,0|2,0,0]=4 14774 B15R1.131 NC(=O)CCCNCC1CCCCC1O 34a_100011216029_100102525003 [0,1,0,1,0,0|2,0,0]=4 14775 B15R1.131 O=C(O)COCCNC1CCCCC1F 269956a_100000700818_100015423560 [0,1,0,1,0,0|2,0,0]=4 14776 B15R1.131 O=C(O)COCCNC1CCCCC1O 269956a_100000700818_100000038908 [0,1,0,1,0,0|2,0,0]=4 14777 B15R1.156 CCCCC(C)COCC1CNC(=O)O1 34a_100011995851_100000181169 [0,1,0,1,0,0|2,0,0]=4 14778 B15R1.156 CCCCC(C)COCC1CNC(=O)O1 7a_100011995851_100000181169 [0,1,0,1,0,0|2,0,0]=4 14779 B15R1.156 CCCCC(C)COCC1COC(=O)O1 34a_100011995851_100000073702 [0,1,0,1,0,0|2,0,0]=4 14780 B15R1.156 CCCCC(C)COC[C@@H]1CCC(=O)N1 7a_100011995851_100015189358 [0,1,0,1,0,0|2,0,0]=4 14781 B15R1.156 CCCC[C@H](N)COCC1CNC(=O)O1 34a_100011934283_100000181169 [0,1,0,1,0,0|2,0,0]=4 14782 B15R1.156 CCCC[C@H](N)COCC1COC(=O)O1 34a_100011934283_100000073702 [0,1,0,1,0,0|2,0,0]=4 14783 B15R1.504 C=C(Br)CCOCCCC1CCCCC1 34a_100009813270_100011713725 [0,1,0,1,0,0|2,0,0]=4 14784 B15R1.504 C=C(C)CCNCCCC1CCCCC1 2230a_100011211642_100000730704 [0,1,0,1,0,0|2,0,0]=4 14785 B15R1.504 C=C(C)CCNCCCC1CCCCC1 34a_100011211642_100000730704 [0,1,0,1,0,0|2,0,0]=4 14786 B15R1.504 C=C(C)CCOCCCC1CCCCC1 34a_100000198086_100000730704 [0,1,0,1,0,0|2,0,0]=4 14787 B15R1.504 C=C(C)CCOCCCC1CCCCC1 34a_100000764851_100011713725 [0,1,0,1,0,0|2,0,0]=4 14788 B15R1.504 C=C(C)CCOCCCC1CCCCC1 7a_100000198086_100000730704 [0,1,0,1,0,0|2,0,0]=4 14789 B15R1.504 C=C(C)COCCCCC1CCCCC1 34a_100011215267_100000748629 [0,1,0,1,0,0|2,0,0]=4 14790 B15R1.504 C=C(C)COCCCCC1CCCCC1 7a_100011215267_100000748629 [0,1,0,1,0,0|2,0,0]=4 14791 B15R1.504 C=C(F)COCCCCC1CCCCC1 34a_100011215267_100009893438 [0,1,0,1,0,0|2,0,0]=4 14792 B15R1.504 C=C(F)COCCCCC1CCCCC1 7a_100011215267_100000042424 [0,1,0,1,0,0|2,0,0]=4 14793 B15R1.504 CC(=O)CCCCNCC1CCCCC1 34a_100000210473_100009817362 [0,1,0,1,0,0|1,0,0]=3 14794 B15R1.504 CC(=O)CCCCNCC1CCCCO1 34a_100000174945_100009817362 [0,1,0,1,0,0|2,0,0]=4 14795 B15R1.504 CC(=O)CCCCNCC1CCCOC1 34a_100000720124_100009817362 [0,1,0,1,0,0|2,0,0]=4 14796 B15R1.504 CC(=O)CCCCNCC1CCOCC1 34a_100000746373_100009817362 [0,1,0,1,0,0|2,0,0]=4 14797 B15R1.504 CC(=O)CCCCNCC1CCSCC1 34a_100015188806_100009817362 [0,1,0,1,0,0|2,0,0]=4 14798 B15R1.504 CC(=O)CCCCOCC1CCCCC1 34a_100000212181_100009817362 [0,1,0,1,0,0|1,0,0]=3 14799 B15R1.504 CC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000735457 [0,1,0,1,0,0|1,0,0]=3 14800 B15R1.504 CC(=O)CCCCOCC1CCCCN1 34a_100000210821_100009817362 [0,1,0,1,0,0|2,0,0]=4 14801 B15R1.504 CC(=O)CCCCOCC1CCCCO1 34a_100000211370_100009817362 [0,1,0,1,0,0|2,0,0]=4 14802 B15R1.504 CC(=O)CCCCOCC1CCCCO1 7a_100000211370_100000735457 [0,1,0,1,0,0|2,0,0]=4 14803 B15R1.504 CC(=O)CCCCOCC1CCCNC1 34a_100000211344_100009817362 [0,1,0,1,0,0|2,0,0]=4 14804 B15R1.504 CC(=O)CCCCOCC1CCCOC1 34a_100000741520_100009817362 [0,1,0,1,0,0|2,0,0]=4 14805 B15R1.504 CC(=O)CCCCOCC1CCNCC1 34a_100000738675_100009817362 [0,1,0,1,0,0|2,0,0]=4 14806 B15R1.504 CC(=O)CCCCOCC1CCOCC1 34a_100000749013_100009817362 [0,1,0,1,0,0|2,0,0]=4 14807 B15R1.504 CC(=O)CCCCOCC1CCSCC1 34a_100000070558_100009817362 [0,1,0,1,0,0|2,0,0]=4 14808 B15R1.504 CC(=O)CCCCOCC1CCSCC1 7a_100000070558_100000735457 [0,1,0,1,0,0|2,0,0]=4 14809 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000735457 [0,1,0,1,0,0|1,0,0]=3 14810 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000735457_100000211423 [0,1,0,1,0,0|1,0,0]=3 14811 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000211543_100000735457 [0,1,0,1,0,0|2,0,0]=4 14812 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000735457_100000211543 [0,1,0,1,0,0|2,0,0]=4 14813 B15R1.504 CC(=O)CCCCSCC1CCCOC1 62a_100000735457_100000741521 [0,1,0,1,0,0|2,0,0]=4 14814 B15R1.504 CC(=O)CCCCSCC1CCCOC1 62a_100000741521_100000735457 [0,1,0,1,0,0|2,0,0]=4 14815 B15R1.504 CC(=O)CCCCSCC1CCOCC1 62a_100000735457_100000749018 [0,1,0,1,0,0|2,0,0]=4 14816 B15R1.504 CC(=O)CCCCSCC1CCOCC1 62a_100000754603_100000735457 [0,1,0,1,0,0|2,0,0]=4 14817 B15R1.504 CC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000685027 [0,1,0,1,0,0|1,0,0]=3 14818 B15R1.504 CC(=O)CCCNCCC1CCCCO1 34a_100015183643_100000685027 [0,1,0,1,0,0|2,0,0]=4 14819 B15R1.504 CC(=O)CCCNCCC1CCOCC1 34a_100000755988_100000685027 [0,1,0,1,0,0|2,0,0]=4 14820 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100000759063_100011209188 [0,1,0,1,0,0|1,0,0]=3 14821 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000685027 [0,1,0,1,0,0|1,0,0]=3 14822 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100000759063_100011273959 [0,1,0,1,0,0|1,0,0]=3 14823 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011215641 [0,1,0,1,0,0|1,0,0]=3 14824 B15R1.504 CC(=O)CCCOCCC1CCCCN1 34a_100000211664_100000685027 [0,1,0,1,0,0|2,0,0]=4 14825 B15R1.504 CC(=O)CCCOCCC1CCCNC1 34a_100000752241_100000685027 [0,1,0,1,0,0|2,0,0]=4 14826 B15R1.504 CC(=O)CCCOCCC1CCNCC1 34a_100015190746_100000685027 [0,1,0,1,0,0|2,0,0]=4 14827 B15R1.504 CC(=O)CCCOCCC1CCOCC1 34a_100000759063_100011934994 [0,1,0,1,0,0|2,0,0]=4 14828 B15R1.504 CC(=O)CCCOCCC1CCOCC1 34a_100011933979_100000685027 [0,1,0,1,0,0|2,0,0]=4 14829 B15R1.504 CC(=O)CCCOCCC1CCOCC1 7a_100000759063_100011934994 [0,1,0,1,0,0|2,0,0]=4 14830 B15R1.504 CC(=O)CCCOCCC1CCOCC1 7a_100011933979_100011215641 [0,1,0,1,0,0|2,0,0]=4 14831 B15R1.504 CC(=O)CCCOCCN1CCCCC1 34a_100000759063_100000739454 [0,1,0,1,0,0|2,0,0]=4 14832 B15R1.504 CC(=O)CCCOCCN1CCCCC1 7a_100000759063_100000739454 [0,1,0,1,0,0|2,0,0]=4 14833 B15R1.504 CC(=O)CCCOCOC1CCCCC1 34a_100000759063_100011935260 [0,1,0,1,0,0|2,0,0]=4 14834 B15R1.504 CC(=O)CCCOCOC1CCCCC1 7a_100000759063_100011935260 [0,1,0,1,0,0|2,0,0]=4 14835 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100011215641_100012355289 [0,1,0,1,0,0|1,0,0]=3 14836 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011215641 [0,1,0,1,0,0|1,0,0]=3 14837 B15R1.504 CC(=O)CCCSCCC1CCOCC1 62a_100011215641_100011934994 [0,1,0,1,0,0|2,0,0]=4 14838 B15R1.504 CC(=O)CCCSCCC1CCOCC1 62a_100011934994_100011215641 [0,1,0,1,0,0|2,0,0]=4 14839 B15R1.504 CC(=O)CCCSCCN1CCCCC1 62a_100000739454_100011215641 [0,1,0,1,0,0|2,0,0]=4 14840 B15R1.504 CC(=O)CCCSCCN1CCCCC1 62a_100011215641_100000739454 [0,1,0,1,0,0|2,0,0]=4 14841 B15R1.504 CC(=O)CCCSCOC1CCCCC1 62a_100011215641_100011935260 [0,1,0,1,0,0|2,0,0]=4 14842 B15R1.504 CC(=O)CCCSCOC1CCCCC1 62a_100011935260_100011215641 [0,1,0,1,0,0|2,0,0]=4 14843 B15R1.504 CC(=O)CCOCCCC1CCCCC1 34a_100000759926_100011713725 [0,1,0,1,0,0|1,0,0]=3 14844 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000053229 [0,1,0,1,0,0|1,0,0]=3 14845 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000759926_100011713725 [0,1,0,1,0,0|1,0,0]=3 14846 B15R1.504 CC(=O)CCOCCCN1CCCCC1 34a_100000759926_100000690320 [0,1,0,1,0,0|2,0,0]=4 14847 B15R1.504 CC(=O)CCOCCCN1CCCCC1 7a_100000759926_100000007876 [0,1,0,1,0,0|2,0,0]=4 14848 B15R1.504 CC(=O)CCOCCOC1CCCCC1 34a_100000759926_100011211530 [0,1,0,1,0,0|2,0,0]=4 14849 B15R1.504 CC(=O)CCOCCOC1CCCCC1 7a_100000759926_100011211530 [0,1,0,1,0,0|2,0,0]=4 14850 B15R1.504 CC(=O)CCOCCOC1CCCCC1 7a_100011249652_100000053229 [0,1,0,1,0,0|2,0,0]=4 14851 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100000053229_100011713725 [0,1,0,1,0,0|1,0,0]=3 14852 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000053229 [0,1,0,1,0,0|1,0,0]=3 14853 B15R1.504 CC(=O)CCSCCCN1CCCCC1 62a_100000053229_100000007876 [0,1,0,1,0,0|2,0,0]=4 14854 B15R1.504 CC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000053229 [0,1,0,1,0,0|2,0,0]=4 14855 B15R1.504 CC(=O)CCSCCOC1CCCCC1 62a_100000053229_100011211530 [0,1,0,1,0,0|2,0,0]=4 14856 B15R1.504 CC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000053229 [0,1,0,1,0,0|2,0,0]=4 14857 B15R1.504 CC(=O)NCCCCCN1CCCCC1 240690a_100000754421_100015343762 [0,1,0,1,0,0|2,0,0]=4 14858 B15R1.504 CC(=O)NCCCCCN1CCCCC1 527a_100000754421_100103153847 [0,1,0,1,0,0|2,0,0]=4 14859 B15R1.504 CC(=O)NCCCCNC1CCCCC1 270004a_200011368371_100000210434 [0,1,0,1,0,0|2,0,0]=4 14860 B15R1.504 CC(=O)NCCCCNC1CCCCC1 34a_200011368371_100000210327 [0,1,0,1,0,0|2,0,0]=4 14861 B15R1.504 CC(=O)NCCCNCC1CCCCC1 269862a_100000736810_100000211278 [0,1,0,1,0,0|2,0,0]=4 14862 B15R1.504 CC(=O)NCCCNCC1CCCCC1 34a_100000736810_100000211423 [0,1,0,1,0,0|2,0,0]=4 14863 B15R1.504 CC(=O)NCCCOCC1CCCCC1 34a_100000752032_100000211423 [0,1,0,1,0,0|2,0,0]=4 14864 B15R1.504 CC(=O)NCCNCCC1CCCCC1 2230a_100000209853_100012355289 [0,1,0,1,0,0|2,0,0]=4 14865 B15R1.504 CC(=O)NCCNCCC1CCCCC1 2230a_100000738074_100000189650 [0,1,0,1,0,0|2,0,0]=4 14866 B15R1.504 CC(=O)NCCOCCC1CCCCC1 34a_100000158858_100011209188 [0,1,0,1,0,0|2,0,0]=4 14867 B15R1.504 CC(=O)NCCOCCC1CCCCC1 7a_100011217863_100000189650 [0,1,0,1,0,0|2,0,0]=4 14868 B15R1.504 CC(=O)NCCSCCC1CCCCC1 62a_100000189650_100012355289 [0,1,0,1,0,0|2,0,0]=4 14869 B15R1.504 CC(=O)NCCSCCC1CCCCC1 62a_100012355289_100000189650 [0,1,0,1,0,0|2,0,0]=4 14870 B15R1.504 CC(=O)OCCCCNC1CCCCC1 34a_100000182618_100000033659 [0,1,0,1,0,0|2,0,0]=4 14871 B15R1.504 CC(=O)OCCCCOC1CCCCC1 34a_100000073216_100000210327 [0,1,0,1,0,0|2,0,0]=4 14872 B15R1.504 CC(=O)OCCCCOC1CCCCC1 34a_100000210231_100000033659 [0,1,0,1,0,0|2,0,0]=4 14873 B15R1.504 CC(=O)OCCCCOC1CCCCC1 7a_100000073216_100000210327 [0,1,0,1,0,0|2,0,0]=4 14874 B15R1.504 CC(=O)OCCCCOC1CCCCC1 7a_100000210231_100000033659 [0,1,0,1,0,0|2,0,0]=4 14875 B15R1.504 CC(=O)OCCCCSC1CCCCC1 62a_100000033659_100000210327 [0,1,0,1,0,0|2,0,0]=4 14876 B15R1.504 CC(=O)OCCCCSC1CCCCC1 62a_100000210327_100000033659 [0,1,0,1,0,0|2,0,0]=4 14877 B15R1.504 CC(=O)OCCCNCC1CCCCC1 34a_100000210473_100000042594 [0,1,0,1,0,0|2,0,0]=4 14878 B15R1.504 CC(=O)OCCCOCC1CCCCC1 34a_100000212181_100000042594 [0,1,0,1,0,0|2,0,0]=4 14879 B15R1.504 CC(=O)OCCCOCC1CCCCC1 7a_100000212181_100000042594 [0,1,0,1,0,0|2,0,0]=4 14880 B15R1.504 CC(=O)OCCCSCC1CCCCC1 62a_100000042594_100000211423 [0,1,0,1,0,0|2,0,0]=4 14881 B15R1.504 CC(=O)OCCCSCC1CCCCC1 62a_100000211423_100000042594 [0,1,0,1,0,0|2,0,0]=4 14882 B15R1.504 CC(=O)OCCNCCC1CCCCC1 34a_100000738074_100009814007 [0,1,0,1,0,0|2,0,0]=4 14883 B15R1.504 CC(=O)OCCOCCC1CCCCC1 34a_100011217863_100009814007 [0,1,0,1,0,0|2,0,0]=4 14884 B15R1.504 CC(=O)OCCOCCC1CCCCC1 7a_100011217863_100009814007 [0,1,0,1,0,0|2,0,0]=4 14885 B15R1.504 CC(=O)OCCSCCC1CCCCC1 62a_100009814007_100012355289 [0,1,0,1,0,0|2,0,0]=4 14886 B15R1.504 CC(=O)OCCSCCC1CCCCC1 62a_100012355289_100009814007 [0,1,0,1,0,0|2,0,0]=4 14887 B15R1.504 CC(=O)OCNCCCC1CCCCC1 34a_100011211642_100009813279 [0,1,0,1,0,0|2,0,0]=4 14888 B15R1.504 CC(=O)OCOCCCC1CCCCC1 34a_100000198086_100009813279 [0,1,0,1,0,0|2,0,0]=4 14889 B15R1.504 CC(=O)OCSCCCC1CCCCC1 62a_100000076356_100011713725 [0,1,0,1,0,0|2,0,0]=4 14890 B15R1.504 CC(=O)OCSCCCC1CCCCC1 62a_100011713725_100000076356 [0,1,0,1,0,0|2,0,0]=4 14891 B15R1.504 CC(=O)SCCCCNC1CCCCC1 2230a_100000182618_200010402107 [0,1,0,1,0,0|2,0,0]=4 14892 B15R1.504 CC(=O)SCCCCNC1CCCCC1 34a_100000182618_200010402107 [0,1,0,1,0,0|2,0,0]=4 14893 B15R1.504 CC(=O)SCCCCOC1CCCCC1 34a_100000210231_200010402107 [0,1,0,1,0,0|2,0,0]=4 14894 B15R1.504 CC(=O)SCCCCOC1CCCCC1 7a_100000210231_200010402107 [0,1,0,1,0,0|2,0,0]=4 14895 B15R1.504 CC(=O)SCCCCSC1CCCCC1 62a_100000210327_200010402107 [0,1,0,1,0,0|2,0,0]=4 14896 B15R1.504 CC(=O)SCCCCSC1CCCCC1 62a_200010402107_100000210327 [0,1,0,1,0,0|2,0,0]=4 14897 B15R1.504 CC(=O)SCCCNCC1CCCCC1 2230a_100000210473_100000038929 [0,1,0,1,0,0|2,0,0]=4 14898 B15R1.504 CC(=O)SCCCNCC1CCCCC1 34a_100000210473_100000038929 [0,1,0,1,0,0|2,0,0]=4 14899 B15R1.504 CC(=O)SCCCOCC1CCCCC1 34a_100000212181_100000038929 [0,1,0,1,0,0|2,0,0]=4 14900 B15R1.504 CC(=O)SCCCOCC1CCCCC1 7a_100000212181_100000038929 [0,1,0,1,0,0|2,0,0]=4 14901 B15R1.504 CC(=O)SCCCSCC1CCCCC1 62a_100000038929_100000211423 [0,1,0,1,0,0|2,0,0]=4 14902 B15R1.504 CC(=O)SCCCSCC1CCCCC1 62a_100000211423_100000038929 [0,1,0,1,0,0|2,0,0]=4 14903 B15R1.504 CC(O)CCCNCCC1CCCCC1 2230a_100000738074_200000718107 [0,1,0,1,0,0|1,0,1]=4 14904 B15R1.504 CC(O)CCCNCCC1CCCCC1 34a_100000738074_200000718107 [0,1,0,1,0,0|1,0,1]=4 14905 B15R1.504 CC(O)CCCOCCC1CCCCC1 34a_100011217863_200000718107 [0,1,0,1,0,0|1,0,1]=4 14906 B15R1.504 CC(O)CCCOCCC1CCCCC1 7a_100011217863_200000718107 [0,1,0,1,0,0|1,0,1]=4 14907 B15R1.504 CC(O)CCCSCCC1CCCCC1 62a_100012355289_200000718107 [0,1,0,1,0,0|1,0,1]=4 14908 B15R1.504 CC(O)CCCSCCC1CCCCC1 62a_200000718107_100012355289 [0,1,0,1,0,0|1,0,1]=4 14909 B15R1.504 CC(O)CCNCCCC1CCCCC1 2230a_100011211642_100012276601 [0,1,0,1,0,0|1,0,1]=4 14910 B15R1.504 CC(O)CCNCCCC1CCCCC1 2230a_200000755665_100011713725 [0,1,0,1,0,0|1,0,1]=4 14911 B15R1.504 CC(O)CCNCCCC1CCCCC1 34a_100011211642_100012276601 [0,1,0,1,0,0|1,0,1]=4 14912 B15R1.504 CC(O)CCOCCCC1CCCCC1 34a_100000198086_100012276601 [0,1,0,1,0,0|1,0,1]=4 14913 B15R1.504 CC(O)CCOCCCC1CCCCC1 7a_100000198086_100012276601 [0,1,0,1,0,0|1,0,1]=4 14914 B15R1.504 CC(O)CCSCCCC1CCCCC1 62a_100011713725_100012276601 [0,1,0,1,0,0|1,0,1]=4 14915 B15R1.504 CC(O)CCSCCCC1CCCCC1 62a_100012276601_100011713725 [0,1,0,1,0,0|1,0,1]=4 14916 B15R1.504 CC(O)COCCCCC1CCCCC1 34a_100011215267_100011218427 [0,1,0,1,0,0|1,0,1]=4 14917 B15R1.504 CC(O)COCCCCC1CCCCC1 7a_100011215267_100011218427 [0,1,0,1,0,0|1,0,1]=4 14918 B15R1.504 CS(=O)CCCNCCC1CCCCC1 2230a_200000753449_100012355289 [0,1,0,1,0,0|2,0,0]=4 14919 B15R1.504 CS(=O)CCCNCCC1CCCCC1 270004a_200000753449_100011713444 [0,1,0,1,0,0|2,0,0]=4 14920 B15R1.504 C[C@@H](O)COCCCCC1CCCCC1 34a_100011215267_100009817552 [0,1,0,1,0,0|1,0,1]=4 14921 B15R1.504 C[C@@H](O)COCCCCC1CCCCC1 7a_100011215267_100009817552 [0,1,0,1,0,0|1,0,1]=4 14922 B15R1.504 NC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100009817443 [0,1,0,1,0,0|1,0,0]=3 14923 B15R1.504 NC(=O)CCCCCNC1CCCCC1 34a_100000182618_100009817443 [0,1,0,1,0,0|1,0,0]=3 14924 B15R1.504 NC(=O)CCCCCNC1CCCOC1 2230a_100000719290_100009817443 [0,1,0,1,0,0|2,0,0]=4 14925 B15R1.504 NC(=O)CCCCCNC1CCCOC1 34a_100000719290_100009817443 [0,1,0,1,0,0|2,0,0]=4 14926 B15R1.504 NC(=O)CCCCCNC1CCOCC1 2230a_100000741149_100009817443 [0,1,0,1,0,0|2,0,0]=4 14927 B15R1.504 NC(=O)CCCCCNC1CCOCC1 34a_100000741149_100009817443 [0,1,0,1,0,0|2,0,0]=4 14928 B15R1.504 NC(=O)CCCCCNC1CCSCC1 2230a_100000748639_100009817443 [0,1,0,1,0,0|2,0,0]=4 14929 B15R1.504 NC(=O)CCCCCNC1CCSCC1 34a_100000748639_100009817443 [0,1,0,1,0,0|2,0,0]=4 14930 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000123541_100000210327 [0,1,0,1,0,0|1,0,0]=3 14931 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000210231_100009817443 [0,1,0,1,0,0|1,0,0]=3 14932 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000123541_100000210327 [0,1,0,1,0,0|1,0,0]=3 14933 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000210231_100009817443 [0,1,0,1,0,0|1,0,0]=3 14934 B15R1.504 NC(=O)CCCCCOC1CCCCO1 34a_100000033831_100009817443 [0,1,0,1,0,0|2,0,0]=4 14935 B15R1.504 NC(=O)CCCCCOC1CCCOC1 34a_100000123541_100000693364 [0,1,0,1,0,0|2,0,0]=4 14936 B15R1.504 NC(=O)CCCCCOC1CCCOC1 34a_100000754041_100009817443 [0,1,0,1,0,0|2,0,0]=4 14937 B15R1.504 NC(=O)CCCCCOC1CCCOC1 7a_100000123541_100000693364 [0,1,0,1,0,0|2,0,0]=4 14938 B15R1.504 NC(=O)CCCCCOC1CCCSC1 7a_100015962668_100009817443 [0,1,0,1,0,0|2,0,0]=4 14939 B15R1.504 NC(=O)CCCCCOC1CCOCC1 34a_100000744328_100009817443 [0,1,0,1,0,0|2,0,0]=4 14940 B15R1.504 NC(=O)CCCCCOC1CCOCC1 7a_100000123541_100000686592 [0,1,0,1,0,0|2,0,0]=4 14941 B15R1.504 NC(=O)CCCCCOC1CCSCC1 34a_100000123541_100000069128 [0,1,0,1,0,0|2,0,0]=4 14942 B15R1.504 NC(=O)CCCCCOC1CCSCC1 34a_100000731022_100009817443 [0,1,0,1,0,0|2,0,0]=4 14943 B15R1.504 NC(=O)CCCCCOC1CCSCC1 7a_100000123541_100011500858 [0,1,0,1,0,0|2,0,0]=4 14944 B15R1.504 NC(=O)CCCCCOC1CCSCC1 7a_100000731022_100009817443 [0,1,0,1,0,0|2,0,0]=4 14945 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100000210327_100009817443 [0,1,0,1,0,0|1,0,0]=3 14946 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100009817443_100000210327 [0,1,0,1,0,0|1,0,0]=3 14947 B15R1.504 NC(=O)CCCCCSC1CCCOC1 62a_100009817443_100000693364 [0,1,0,1,0,0|2,0,0]=4 14948 B15R1.504 NC(=O)CCCCCSC1CCOCC1 62a_100009817443_100011324220 [0,1,0,1,0,0|2,0,0]=4 14949 B15R1.504 NC(=O)CCCCCSC1CCSCC1 62a_100009817443_100000069128 [0,1,0,1,0,0|2,0,0]=4 14950 B15R1.504 NC(=O)CCCCNCC1CCCCC1 269862a_100000696515_100000211278 [0,1,0,1,0,0|1,0,0]=3 14951 B15R1.504 NC(=O)CCCCNCC1CCCCC1 34a_100000696515_100000211423 [0,1,0,1,0,0|1,0,0]=3 14952 B15R1.504 NC(=O)CCCCNCC1CCCCO1 34a_100000696515_100000211543 [0,1,0,1,0,0|2,0,0]=4 14953 B15R1.504 NC(=O)CCCCNCC1CCCOC1 34a_100000696515_100000741521 [0,1,0,1,0,0|2,0,0]=4 14954 B15R1.504 NC(=O)CCCCNCC1CCOCC1 269862a_100000696515_100000749017 [0,1,0,1,0,0|2,0,0]=4 14955 B15R1.504 NC(=O)CCCCNCC1CCOCC1 34a_100000696515_100000754603 [0,1,0,1,0,0|2,0,0]=4 14956 B15R1.504 NC(=O)CCCCNCC1CCSCC1 269862a_100000696515_100000067145 [0,1,0,1,0,0|2,0,0]=4 14957 B15R1.504 NC(=O)CCCCNCC1CCSCC1 270004a_100000696515_100000067145 [0,1,0,1,0,0|2,0,0]=4 14958 B15R1.504 NC(=O)CCCCOCC1CCCCC1 34a_100012022536_100000211423 [0,1,0,1,0,0|1,0,0]=3 14959 B15R1.504 NC(=O)CCCCOCC1CCCCC1 7a_100012022536_100000211423 [0,1,0,1,0,0|1,0,0]=3 14960 B15R1.504 NC(=O)CCCCOCC1CCCCO1 34a_100012022536_100000211543 [0,1,0,1,0,0|2,0,0]=4 14961 B15R1.504 NC(=O)CCCCOCC1CCCCO1 7a_100012022536_100000211543 [0,1,0,1,0,0|2,0,0]=4 14962 B15R1.504 NC(=O)CCCCOCC1CCCOC1 34a_100012022536_100000741521 [0,1,0,1,0,0|2,0,0]=4 14963 B15R1.504 NC(=O)CCCCOCC1CCCOC1 7a_100012022536_100000741521 [0,1,0,1,0,0|2,0,0]=4 14964 B15R1.504 NC(=O)CCCCOCC1CCOCC1 34a_100012022536_100000754603 [0,1,0,1,0,0|2,0,0]=4 14965 B15R1.504 NC(=O)CCCCOCC1CCOCC1 7a_100012022536_100000754603 [0,1,0,1,0,0|2,0,0]=4 14966 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000738074_100102525003 [0,1,0,1,0,0|1,0,0]=3 14967 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000739312_100011209188 [0,1,0,1,0,0|1,0,0]=3 14968 B15R1.504 NC(=O)CCCNCCC1CCCCO1 34a_100015183643_100102525003 [0,1,0,1,0,0|2,0,0]=4 14969 B15R1.504 NC(=O)CCCNCCC1CCOCC1 34a_100000739312_100011934994 [0,1,0,1,0,0|2,0,0]=4 14970 B15R1.504 NC(=O)CCCNCCC1CCOCC1 34a_100000755988_100102525003 [0,1,0,1,0,0|2,0,0]=4 14971 B15R1.504 NC(=O)CCCNCCN1CCCCC1 34a_100000739312_100000739454 [0,1,0,1,0,0|2,0,0]=4 14972 B15R1.504 NC(=O)CCCNCOC1CCCCC1 34a_100000739312_100011935260 [0,1,0,1,0,0|2,0,0]=4 14973 B15R1.504 NC(=O)CCCOCCC1CCCCC1 34a_100011217863_100102525003 [0,1,0,1,0,0|1,0,0]=3 14974 B15R1.504 NC(=O)CCCOCCC1CCCCC1 7a_100011217863_100102525003 [0,1,0,1,0,0|1,0,0]=3 14975 B15R1.504 NC(=O)CCCOCCC1CCCCN1 34a_100000211664_100102525003 [0,1,0,1,0,0|2,0,0]=4 14976 B15R1.504 NC(=O)CCCOCCC1CCCNC1 34a_100000752241_100102525003 [0,1,0,1,0,0|2,0,0]=4 14977 B15R1.504 NC(=O)CCCOCCC1CCNCC1 34a_100015190746_100102525003 [0,1,0,1,0,0|2,0,0]=4 14978 B15R1.504 NC(=O)CCCOCCC1CCOCC1 34a_100011933979_100102525003 [0,1,0,1,0,0|2,0,0]=4 14979 B15R1.504 NC(=O)CCCOCCC1CCOCC1 7a_100011933979_100102525003 [0,1,0,1,0,0|2,0,0]=4 14980 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100012355289_100102525003 [0,1,0,1,0,0|1,0,0]=3 14981 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100102525003_100012355289 [0,1,0,1,0,0|1,0,0]=3 14982 B15R1.504 NC(=O)CCCSCCC1CCOCC1 62a_100011934994_100102525003 [0,1,0,1,0,0|2,0,0]=4 14983 B15R1.504 NC(=O)CCCSCCC1CCOCC1 62a_100102525003_100011934994 [0,1,0,1,0,0|2,0,0]=4 14984 B15R1.504 NC(=O)CCCSCCN1CCCCC1 62a_100000739454_100102525003 [0,1,0,1,0,0|2,0,0]=4 14985 B15R1.504 NC(=O)CCCSCCN1CCCCC1 62a_100102525003_100000739454 [0,1,0,1,0,0|2,0,0]=4 14986 B15R1.504 NC(=O)CCCSCOC1CCCCC1 62a_100011935260_100102525003 [0,1,0,1,0,0|2,0,0]=4 14987 B15R1.504 NC(=O)CCCSCOC1CCCCC1 62a_100102525003_100011935260 [0,1,0,1,0,0|2,0,0]=4 14988 B15R1.504 NC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000744528 [0,1,0,1,0,0|1,0,0]=3 14989 B15R1.504 NC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000731001 [0,1,0,1,0,0|1,0,0]=3 14990 B15R1.504 NC(=O)CCNCCOC1CCCCC1 34a_100015206981_100000731001 [0,1,0,1,0,0|2,0,0]=4 14991 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000731001 [0,1,0,1,0,0|1,0,0]=3 14992 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000757172_100011713725 [0,1,0,1,0,0|1,0,0]=3 14993 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000744528 [0,1,0,1,0,0|1,0,0]=3 14994 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000757172_100011713725 [0,1,0,1,0,0|1,0,0]=3 14995 B15R1.504 NC(=O)CCOCCCC1CCCCN1 34a_100011934581_100000731001 [0,1,0,1,0,0|2,0,0]=4 14996 B15R1.504 NC(=O)CCOCCCC1CCCNC1 34a_100150707839_100000731001 [0,1,0,1,0,0|2,0,0]=4 14997 B15R1.504 NC(=O)CCOCCCC1CCNCC1 34a_100016988962_100000731001 [0,1,0,1,0,0|2,0,0]=4 14998 B15R1.504 NC(=O)CCOCCCN1CCCCC1 34a_100000212458_100000731001 [0,1,0,1,0,0|2,0,0]=4 14999 B15R1.504 NC(=O)CCOCCCN1CCCCC1 34a_100000757172_100000690320 [0,1,0,1,0,0|2,0,0]=4 15000 B15R1.504 NC(=O)CCOCCCN1CCCCC1 7a_100000757172_100000007876 [0,1,0,1,0,0|2,0,0]=4 15001 B15R1.504 NC(=O)CCOCCNC1CCCCC1 34a_100000200466_100000731001 [0,1,0,1,0,0|2,0,0]=4 15002 B15R1.504 NC(=O)CCOCCOC1CCCCC1 34a_100000757172_100011211530 [0,1,0,1,0,0|2,0,0]=4 15003 B15R1.504 NC(=O)CCOCCOC1CCCCC1 34a_100011249652_100000731001 [0,1,0,1,0,0|2,0,0]=4 15004 B15R1.504 NC(=O)CCOCCOC1CCCCC1 7a_100000757172_100011211530 [0,1,0,1,0,0|2,0,0]=4 15005 B15R1.504 NC(=O)CCOCCOC1CCCCC1 7a_100011249652_100000744528 [0,1,0,1,0,0|2,0,0]=4 15006 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100000744528_100011713725 [0,1,0,1,0,0|1,0,0]=3 15007 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000744528 [0,1,0,1,0,0|1,0,0]=3 15008 B15R1.504 NC(=O)CCSCCCN1CCCCC1 62a_100000744528_100000007876 [0,1,0,1,0,0|2,0,0]=4 15009 B15R1.504 NC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000744528 [0,1,0,1,0,0|2,0,0]=4 15010 B15R1.504 NC(=O)CCSCCOC1CCCCC1 62a_100000744528_100011211530 [0,1,0,1,0,0|2,0,0]=4 15011 B15R1.504 NC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000744528 [0,1,0,1,0,0|2,0,0]=4 15012 B15R1.504 NC(=O)CNCCCOC1CCCCC1 34a_100000205933_100000187820 [0,1,0,1,0,0|2,0,0]=4 15013 B15R1.504 NC(=O)COCCCCC1CCCCC1 34a_100011215267_100000187820 [0,1,0,1,0,0|1,0,0]=3 15014 B15R1.504 NC(=O)COCCCCC1CCCCC1 7a_100011215267_100000187820 [0,1,0,1,0,0|1,0,0]=3 15015 B15R1.504 NC(=O)COCCCCC1CCNCC1 34a_100016989291_100000187820 [0,1,0,1,0,0|2,0,0]=4 15016 B15R1.504 NC(=O)COCCNCC1CCCCC1 2230a_100000210473_100000076697 [0,1,0,1,0,0|2,0,0]=4 15017 B15R1.504 NC(=O)COCCNCC1CCCCC1 34a_100000210473_100000076697 [0,1,0,1,0,0|2,0,0]=4 15018 B15R1.504 NC(=O)COCCOCC1CCCCC1 34a_100000212181_100000076697 [0,1,0,1,0,0|2,0,0]=4 15019 B15R1.504 NC(=O)COCCOCC1CCCCC1 7a_100000212181_100000076697 [0,1,0,1,0,0|2,0,0]=4 15020 B15R1.504 NC(=O)COCCSCC1CCCCC1 62a_100000076697_100000211423 [0,1,0,1,0,0|2,0,0]=4 15021 B15R1.504 NC(=O)COCCSCC1CCCCC1 62a_100000211423_100000076697 [0,1,0,1,0,0|2,0,0]=4 15022 B15R1.504 NC(=O)NCCNCCC1CCCCC1 2230a_100000738074_200000034859 [0,1,0,1,0,0|2,0,0]=4 15023 B15R1.504 NC(=O)NCCNCCC1CCCCC1 34a_100020590234_100011209188 [0,1,0,1,0,0|2,0,0]=4 15024 B15R1.504 NC(=O)NCCOCCC1CCCCC1 34a_100000181757_100011209188 [0,1,0,1,0,0|2,0,0]=4 15025 B15R1.504 NC(=O)NCCOCCC1CCCCC1 7a_100011217863_200000034859 [0,1,0,1,0,0|2,0,0]=4 15026 B15R1.504 NC(=O)NCCSCCC1CCCCC1 62a_100012355289_200000034859 [0,1,0,1,0,0|2,0,0]=4 15027 B15R1.504 NC(=O)NCCSCCC1CCCCC1 62a_200000034859_100012355289 [0,1,0,1,0,0|2,0,0]=4 15028 B15R1.504 NC(=O)OCCNCCC1CCCCC1 34a_100000738074_200011214921 [0,1,0,1,0,0|2,0,0]=4 15029 B15R1.504 NC(=O)OCCOCCC1CCCCC1 34a_100011217863_200011214921 [0,1,0,1,0,0|2,0,0]=4 15030 B15R1.504 NC(=O)OCCOCCC1CCCCC1 7a_100000766696_100011273959 [0,1,0,1,0,0|2,0,0]=4 15031 B15R1.504 NC(=O)OCCOCCC1CCCCC1 7a_100011217863_200011214921 [0,1,0,1,0,0|2,0,0]=4 15032 B15R1.504 NC(=O)OCCSCCC1CCCCC1 62a_100012355289_200011214921 [0,1,0,1,0,0|2,0,0]=4 15033 B15R1.504 NC(=O)OCCSCCC1CCCCC1 62a_200011214921_100012355289 [0,1,0,1,0,0|2,0,0]=4 15034 B15R1.504 O=C(O)CNCCCOC1CCCCO1 269956a_100016091260_100000700653 [0,1,0,1,0,0|2,0,0]=4 15035 B15R1.504 O=C(O)COCCNCC1CCCCC1 269956a_100000700818_100000211423 [0,1,0,1,0,0|1,0,0]=3 15036 B15R1.504 O=C(O)COCCNCC1CCCCO1 269956a_100000700818_100000211543 [0,1,0,1,0,0|2,0,0]=4 15037 B15R1.504 O=C(O)COCCNCC1CCCOC1 269956a_100000700818_100000741521 [0,1,0,1,0,0|2,0,0]=4 15038 B15R1.504 O=C(O)COCCNCC1CCOCC1 269956a_100000700818_100000754603 [0,1,0,1,0,0|2,0,0]=4 15039 B15R1.504 O=C(O)CONCCCC1CCCCC1 269956a_100000106656_100011713725 [0,1,0,1,0,0|1,0,0]=3 15040 B15R1.504 O=C(O)CONCCCN1CCCCC1 269956a_100000106656_100000007876 [0,1,0,1,0,0|2,0,0]=4 15041 B15R1.504 O=C(O)CONCCOC1CCCCC1 269956a_100000106656_100011211530 [0,1,0,1,0,0|2,0,0]=4 15042 B15R1.504 O=C([O-])CCCCCOC1CCCCC1 7a_100102619762_100000210327 [0,1,0,1,0,0|0,0,1]=3 15043 B15R1.504 O=C([O-])CCCCCOC1CCCOC1 7a_100102619762_100000693364 [0,1,0,1,0,0|1,0,1]=4 15044 B15R1.504 O=C([O-])CCCCCOC1CCOCC1 7a_100102619762_100000686592 [0,1,0,1,0,0|1,0,1]=4 15045 B15R1.504 O=C([O-])CCCCCOC1CCSCC1 7a_100102619762_100011500858 [0,1,0,1,0,0|1,0,1]=4 15046 B15R1.504 O=C([O-])CNCCCOC1CCCCC1 34a_100000205933_100020667443 [0,1,0,1,0,0|1,0,1]=4 15047 B15R1.504 O=C([O-])COCCCCC1CCCCC1 34a_100011215267_100020667443 [0,1,0,1,0,0|0,0,1]=3 15048 B15R1.504 O=C([O-])COCCCCC1CCNCC1 34a_100016989291_100020667443 [0,1,0,1,0,0|1,0,1]=4 15049 B15R1.504 O=[N+]([O-])CCCCOCC1CCCCC1 34a_200015379883_100000211423 [0,1,0,1,0,0|1,0,1]=4 15050 B15R1.504 O=[N+]([O-])CCCCOCC1CCCCC1 7a_200015379883_100000211423 [0,1,0,1,0,0|1,0,1]=4 15051 B15R1.504 O=[N+]([O-])CCCOCCC1CCCCC1 34a_200000037920_100011209188 [0,1,0,1,0,0|1,0,1]=4 15052 B15R1.504 O=[N+]([O-])COCCCCC1CCCCC1 34a_100011215267_100000761209 [0,1,0,1,0,0|1,0,1]=4 15053 B15R1.504 OB(O)CCCCCNC1CCCCC1 2230a_100000182618_200009817188 [0,1,0,1,0,0|1,0,1]=4 15054 B15R1.504 OB(O)CCCCCNC1CCCCC1 34a_100000182618_200009817188 [0,1,0,1,0,0|1,0,1]=4 15055 B15R1.504 OB(O)CCCCCOC1CCCCC1 34a_100000210231_200009817188 [0,1,0,1,0,0|1,0,1]=4 15056 B15R1.504 OB(O)CCCCCOC1CCCCC1 7a_100000210231_200009817188 [0,1,0,1,0,0|1,0,1]=4 15057 B15R1.504 OB(O)CCCCCSC1CCCCC1 62a_100000210327_200009817188 [0,1,0,1,0,0|1,0,1]=4 15058 B15R1.504 OB(O)CCCCCSC1CCCCC1 62a_200009817188_100000210327 [0,1,0,1,0,0|1,0,1]=4 15059 B15R1.504 OB(O)CCCCNCC1CCCCC1 2230a_100000210473_200009817182 [0,1,0,1,0,0|1,0,1]=4 15060 B15R1.504 OB(O)CCCCNCC1CCCCC1 34a_100000210473_200009817182 [0,1,0,1,0,0|1,0,1]=4 15061 B15R1.504 OB(O)CCCCOCC1CCCCC1 34a_100000212181_200009817182 [0,1,0,1,0,0|1,0,1]=4 15062 B15R1.504 OB(O)CCCCOCC1CCCCC1 7a_100000212181_200009817182 [0,1,0,1,0,0|1,0,1]=4 15063 B15R1.504 OB(O)CCCCSCC1CCCCC1 62a_100000211423_200009817182 [0,1,0,1,0,0|1,0,1]=4 15064 B15R1.504 OB(O)CCCCSCC1CCCCC1 62a_200009817182_100000211423 [0,1,0,1,0,0|1,0,1]=4 15065 B15R1.1036 CCCCN1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210211 [0,1,0,1,0,0|2,0,0]=4 15066 B15R1.1036 CCCCN1CCCC(C1)CCC(=O)N 269982a_100011533967_100000210211 [0,1,0,1,0,0|2,0,0]=4 15067 B15R1.1036 CCCCN1CCCC(C1)CCC(=O)N 34a_100011533967_100000210210 [0,1,0,1,0,0|2,0,0]=4 15068 B15R1.1239 CCCCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210211 [0,1,0,1,0,0|1,0,1]=4 15069 B15R1.1239 CCCCC(C)N1CCCCC1C(=O)N 2230a_100000181395_200011215066 [0,1,0,1,0,0|2,0,0]=4 15070 B15R1.1239 CCCCC(C)N1CCCCC1C(=O)N 269982a_100000181395_200011215066 [0,1,0,1,0,0|2,0,0]=4 15071 B15R1.1239 CCCCC(C)N1CCCCC1C(=O)N 270004a_100000181395_100000210087 [0,1,0,1,0,0|2,0,0]=4 15072 B15R1.1239 CCCCC(C)N1CCCCC1C(=O)N 34a_100000181395_200011215066 [0,1,0,1,0,0|2,0,0]=4 15073 B15R1.1239 CCCCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200011215066 [0,1,0,1,0,0|1,0,0]=3 15074 B15R1.1239 CCCCC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200011215066 [0,1,0,1,0,0|2,0,0]=4 15075 B15R1.1239 CCCCC(C)N1CCSCC1C(=O)O 269956a_100011346106_200011215066 [0,1,0,1,0,0|2,0,0]=4 15076 B15R1.1239 CCCCC(C)N1CSCCC1C(=O)O 269956a_100015185162_200011215066 [0,1,0,1,0,0|2,0,0]=4 15077 B15R1.8448 CC(=O)CCCOC1CC(CCC1C)C 34a_100011217446_100000685027 [0,1,0,1,0,0|2,0,0]=4 15078 B15R1.8448 CC(=O)CCCOC1CC(CCC1C)C 7a_100011217446_100011215641 [0,1,0,1,0,0|2,0,0]=4 15079 B15R1.8448 CC1CCC(C(C1)NCCCC(=O)N)C 269862a_100000739312_100000034887 [0,1,0,1,0,0|2,0,0]=4 15080 B15R1.8448 CC1CCC(C(C1)OCCCC(=O)N)C 34a_100011217446_100102525003 [0,1,0,1,0,0|2,0,0]=4 15081 B15R1.8448 CC1CCC(C(C1)OCCCC(=O)N)C 7a_100011217446_100102525003 [0,1,0,1,0,0|2,0,0]=4 15082 B15R1.9080 CC(NCCCCCC(=O)N)C1CCC1 2230a_100016994624_100009817443 [0,1,0,1,0,0|2,0,0]=4 15083 B15R1.9080 CC(NCCCCCC(=O)N)C1CCC1 34a_100016994624_100009817443 [0,1,0,1,0,0|2,0,0]=4 15084 B15R1.9080 CC(OCCCCCC(=O)N)C1CCC1 34a_100000766398_100009817443 [0,1,0,1,0,0|2,0,0]=4 15085 B15R1.9080 CC(OCCCCCC(=O)N)C1CCC1 7a_100000766398_100009817443 [0,1,0,1,0,0|2,0,0]=4 15086 B15R1.15131 CC1CCC(N1CCCCCC(=O)N)C 2230a_100000687148_100009817443 [0,1,0,1,0,0|2,0,0]=4 15087 B15R1.15131 CC1CCC(N1CCCCCC(=O)N)C 269982a_100000687148_100009817443 [0,1,0,1,0,0|2,0,0]=4 15088 B15R1.15131 CC1CCC(N1CCCCCC(=O)N)C 34a_100000687148_100009817443 [0,1,0,1,0,0|2,0,0]=4 15089 B15R1.31152 CC(=O)CCCCOCC1(CCCC1)N 34a_100000749328_100009817362 [0,1,0,1,0,0|2,0,0]=4 15090 B15R1.31152 CC(=O)CCCNCCC1(CCCC1)O 34a_100000719956_100000685027 [0,1,0,1,0,0|2,0,0]=4 15091 B15R1.31152 CC1(CCCC1)OCCCCCC(=O)N 34a_100000751722_100009817443 [0,1,0,1,0,0|2,0,0]=4 15092 B15R1.31152 CC1(CCCC1)OCCCCCC(=O)N 7a_100000751722_100009817443 [0,1,0,1,0,0|2,0,0]=4 15093 B15R1.31152 NC(=O)CCCNCCC1(CCCC1)O 34a_100000719956_100102525003 [0,1,0,1,0,0|2,0,0]=4 15094 B15R1.42 CCC1CCC(C1)NCCCCC(=O)N 270004a_100000696515_100011218773 [0,1,0,1,0,0|2,0,0]=4 15095 B15R1.77 CCCCCC(C)NCC1CNC(=O)O1 2230a_100000211957_100000181169 [0,1,0,1,0,0|2,0,0]=4 15096 B15R1.77 CCCCCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000211957_100015189358 [0,1,0,1,0,0|2,0,0]=4 15097 B15R1.77 CCCCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_200011218191 [0,1,0,1,0,0|2,0,0]=4 15098 B15R1.77 CCCCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000211708 [0,1,0,1,0,0|2,0,0]=4 15099 B15R1.77 CCCCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_200011218191 [0,1,0,1,0,0|2,0,0]=4 15100 B15R1.77 CCCCCC(C)OCC1CCC(=O)N1 34a_100000737831_200011218191 [0,1,0,1,0,0|2,0,0]=4 15101 B15R1.77 CCCCCC(C)OCC1CNC(=O)O1 34a_100011215632_100000181169 [0,1,0,1,0,0|2,0,0]=4 15102 B15R1.77 CCCCCC(C)OCC1CNC(=O)O1 34a_100011315639_200011218191 [0,1,0,1,0,0|2,0,0]=4 15103 B15R1.77 CCCCCC(C)OCC1CNC(=O)O1 7a_100011215632_100000181169 [0,1,0,1,0,0|2,0,0]=4 15104 B15R1.77 CCCCCC(C)OCC1COC(=O)O1 34a_100011215632_100000073702 [0,1,0,1,0,0|2,0,0]=4 15105 B15R1.77 CCCCCC(C)OC[C@@H]1CCC(=O)N1 7a_100011215632_100015189358 [0,1,0,1,0,0|2,0,0]=4 15106 B15R1.77 CCCCCC(C)SCC1CNC(=O)O1 62a_100000181169_200011218191 [0,1,0,1,0,0|2,0,0]=4 15107 B15R1.77 CCCCCC(C)SCC1CNC(=O)O1 62a_200011218191_100000181169 [0,1,0,1,0,0|2,0,0]=4 15108 B15R1.77 CCCCCC(C)SCC1COC(=O)O1 62a_100000073702_200011218191 [0,1,0,1,0,0|2,0,0]=4 15109 B15R1.77 CCCCCC(C)SCC1COC(=O)O1 62a_200011218191_100000073702 [0,1,0,1,0,0|2,0,0]=4 15110 B15R1.77 CCCCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_200011218191 [0,1,0,1,0,0|2,0,0]=4 15111 B15R1.77 CCCCCC(C)SC[C@@H]1CCC(=O)N1 62a_200011218191_100015189358 [0,1,0,1,0,0|2,0,0]=4 15112 B15R1.129 CCCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011218191 [0,1,0,1,0,0|2,0,0]=4 15113 B15R1.506 CC(=O)CCCCNC(C)C1CCCC1 34a_100015185923_100009817362 [0,1,0,1,0,0|2,0,0]=4 15114 B15R1.506 CC(=O)CCCCOC(C)C1CCCC1 34a_100011216366_100009817362 [0,1,0,1,0,0|2,0,0]=4 15115 B15R1.506 CC(=O)CCCCOC(C)C1CCCC1 7a_100011216366_100000735457 [0,1,0,1,0,0|2,0,0]=4 15116 B15R1.506 CC(NCCCCC(=O)N)C1CCCC1 269862a_100000696515_100000749594 [0,1,0,1,0,0|2,0,0]=4 15117 B15R1.506 CC(NCCCCC(=O)N)C1CCCC1 270004a_100000696515_100000749594 [0,1,0,1,0,0|2,0,0]=4 15118 B15R1.506 CN(CCCCCC(=O)N)C1CCCC1 2230a_100000207505_100009817443 [0,1,0,1,0,0|2,0,0]=4 15119 B15R1.506 CN(CCCCCC(=O)N)C1CCCC1 269982a_100000207505_100009817443 [0,1,0,1,0,0|2,0,0]=4 15120 B15R1.506 CN(CCCCCC(=O)N)C1CCCC1 34a_100000207505_100009817443 [0,1,0,1,0,0|2,0,0]=4 15121 B15R1.506 NC(=O)CCCCCC(=O)C1CCCC1 1458a_100000210718_100009817443 [0,1,0,1,0,0|1,0,1]=4 15122 B15R1.1180 CCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210326 [0,1,0,1,0,0|1,0,0]=3 15123 B15R1.1180 CCCCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210326 [0,1,0,1,0,0|2,0,0]=4 15124 B15R1.1180 CCOCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210147 [0,1,0,1,0,0|2,0,0]=4 15125 B15R1.1180 CCSCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000757381 [0,1,0,1,0,0|2,0,0]=4 15126 B15R1.1180 COCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000740836 [0,1,0,1,0,0|2,0,0]=4 15127 B15R1.1180 O=C(O)CC1CCCN(C1)CCCCF 269956a_100015207179_100000729493 [0,1,0,1,0,0|2,0,0]=4 15128 B15R1.1180 O=C(O)CC1CCCN(C1)CCCCO 269956a_100015207179_100000210776 [0,1,0,1,0,0|2,0,0]=4 15129 B15R1.1405 CCCCCC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_200011218191 [0,1,0,1,0,0|2,0,0]=4 15130 B15R1.1405 CCCCCC(C)N1CCC[C@H]1C(=O)N 270004a_100000003125_100000211708 [0,1,0,1,0,0|2,0,0]=4 15131 B15R1.1405 CCCCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_200011218191 [0,1,0,1,0,0|1,0,0]=3 15132 B15R1.1405 CCCCCC(C)N1CCSC1C(=O)O 269956a_100000035718_200011218191 [0,1,0,1,0,0|2,0,0]=4 15133 B15R1.1405 CCCCCC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_200011218191 [0,1,0,1,0,0|2,0,0]=4 15134 B15R1.3260 CCCCCC(=O)CN1CCC1C(=O)O 269956a_100000021838_200012276598 [0,1,0,1,0,0|1,0,1]=4 15135 B15R1.8290 CC(=O)CCCCN1C(CCCC1C)C 269982a_100000210447_100000735457 [0,1,0,1,0,0|2,0,0]=4 15136 B15R1.8290 CC(=O)CCCCN1C(CCCC1C)C 34a_100000210447_100009817362 [0,1,0,1,0,0|2,0,0]=4 15137 B15R1.8290 CC(=O)CCCOC1C(CCCC1C)C 34a_100011218088_100000685027 [0,1,0,1,0,0|2,0,0]=4 15138 B15R1.8290 CC(=O)CCCOC1C(CCCC1C)C 7a_100011218088_100011215641 [0,1,0,1,0,0|2,0,0]=4 15139 B15R1.8290 CC1CCCC(C1NCCCC(=O)N)C 269862a_100000739312_100000211995 [0,1,0,1,0,0|2,0,0]=4 15140 B15R1.8290 CC1CCCC(C1OCCCC(=O)N)C 34a_100011218088_100102525003 [0,1,0,1,0,0|2,0,0]=4 15141 B15R1.8290 CC1CCCC(C1OCCCC(=O)N)C 7a_100011218088_100102525003 [0,1,0,1,0,0|2,0,0]=4 15142 B15R1.8958 C=C(C)CCNCCC1CCCCCC1 2230a_100011532351_100000730704 [0,1,0,1,0,0|2,0,0]=4 15143 B15R1.8958 C=C(C)CCNCCC1CCCCCC1 34a_100011532351_100000730704 [0,1,0,1,0,0|2,0,0]=4 15144 B15R1.8958 CC(=O)CCCCNC1CCCCCC1 34a_100000210984_100009817362 [0,1,0,1,0,0|1,0,0]=3 15145 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 34a_100000210887_100009817362 [0,1,0,1,0,0|1,0,0]=3 15146 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000735457 [0,1,0,1,0,0|1,0,0]=3 15147 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100000735457_100011217769 [0,1,0,1,0,0|1,0,0]=3 15148 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000735457 [0,1,0,1,0,0|1,0,0]=3 15149 B15R1.8958 CC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000685027 [0,1,0,1,0,0|1,0,0]=3 15150 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000685027 [0,1,0,1,0,0|1,0,0]=3 15151 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000759063_200000696569 [0,1,0,1,0,0|1,0,0]=3 15152 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011215641 [0,1,0,1,0,0|1,0,0]=3 15153 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000759063_200000696569 [0,1,0,1,0,0|1,0,0]=3 15154 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_100011215641_200000696569 [0,1,0,1,0,0|1,0,0]=3 15155 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011215641 [0,1,0,1,0,0|1,0,0]=3 15156 B15R1.8958 CC(=O)CCOCCN1CCCCCC1 7a_100000759926_100000722644 [0,1,0,1,0,0|2,0,0]=4 15157 B15R1.8958 CC(=O)CCSCCN1CCCCCC1 62a_100000053229_100000722644 [0,1,0,1,0,0|2,0,0]=4 15158 B15R1.8958 CC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000053229 [0,1,0,1,0,0|2,0,0]=4 15159 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 1626a_100011207362_100015343762 [0,1,0,1,0,0|2,0,0]=4 15160 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 240690a_100011207362_100015343762 [0,1,0,1,0,0|2,0,0]=4 15161 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 527a_100011207362_100103153847 [0,1,0,1,0,0|2,0,0]=4 15162 B15R1.8958 CC(=O)NCCCNC1CCCCCC1 270004a_100000736810_100000210131 [0,1,0,1,0,0|2,0,0]=4 15163 B15R1.8958 CC(=O)NCCCNC1CCCCCC1 34a_100000736810_100011217769 [0,1,0,1,0,0|2,0,0]=4 15164 B15R1.8958 CC(=O)NCCCOC1CCCCCC1 34a_100000752032_100011217769 [0,1,0,1,0,0|2,0,0]=4 15165 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 2230a_100000209853_200000696569 [0,1,0,1,0,0|2,0,0]=4 15166 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 2230a_100015204231_100000189650 [0,1,0,1,0,0|2,0,0]=4 15167 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 269862a_100000209853_200000763224 [0,1,0,1,0,0|2,0,0]=4 15168 B15R1.8958 CC(=O)NCCOCC1CCCCCC1 34a_100000158858_200000696569 [0,1,0,1,0,0|2,0,0]=4 15169 B15R1.8958 CC(=O)NCCOCC1CCCCCC1 7a_100000699130_100000189650 [0,1,0,1,0,0|2,0,0]=4 15170 B15R1.8958 CC(=O)NCCSCC1CCCCCC1 62a_100000189650_200000696569 [0,1,0,1,0,0|2,0,0]=4 15171 B15R1.8958 CC(=O)NCCSCC1CCCCCC1 62a_200000696569_100000189650 [0,1,0,1,0,0|2,0,0]=4 15172 B15R1.8958 CC(=O)OCCCCN1CCCCCC1 269982a_100000185865_100000033659 [0,1,0,1,0,0|2,0,0]=4 15173 B15R1.8958 CC(=O)OCCCCN1CCCCCC1 34a_100000185865_100000033659 [0,1,0,1,0,0|2,0,0]=4 15174 B15R1.8958 CC(=O)OCCCNC1CCCCCC1 34a_100000210984_100000042594 [0,1,0,1,0,0|2,0,0]=4 15175 B15R1.8958 CC(=O)OCCCOC1CCCCCC1 34a_100000210887_100000042594 [0,1,0,1,0,0|2,0,0]=4 15176 B15R1.8958 CC(=O)OCCCOC1CCCCCC1 7a_100000210887_100000042594 [0,1,0,1,0,0|2,0,0]=4 15177 B15R1.8958 CC(=O)OCCCSC1CCCCCC1 62a_100000042594_100011217769 [0,1,0,1,0,0|2,0,0]=4 15178 B15R1.8958 CC(=O)OCCCSC1CCCCCC1 62a_100011217769_100000042594 [0,1,0,1,0,0|2,0,0]=4 15179 B15R1.8958 CC(=O)OCCNCC1CCCCCC1 34a_100015204231_100009814007 [0,1,0,1,0,0|2,0,0]=4 15180 B15R1.8958 CC(=O)OCCOCC1CCCCCC1 34a_100000699130_100009814007 [0,1,0,1,0,0|2,0,0]=4 15181 B15R1.8958 CC(=O)OCCOCC1CCCCCC1 7a_100000699130_100009814007 [0,1,0,1,0,0|2,0,0]=4 15182 B15R1.8958 CC(=O)OCCSCC1CCCCCC1 62a_100009814007_200000696569 [0,1,0,1,0,0|2,0,0]=4 15183 B15R1.8958 CC(=O)OCCSCC1CCCCCC1 62a_200000696569_100009814007 [0,1,0,1,0,0|2,0,0]=4 15184 B15R1.8958 CC(=O)OCNCCC1CCCCCC1 34a_100011532351_100009813279 [0,1,0,1,0,0|2,0,0]=4 15185 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 2230a_100000185865_200010402107 [0,1,0,1,0,0|2,0,0]=4 15186 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 269982a_100000185865_200010402107 [0,1,0,1,0,0|2,0,0]=4 15187 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 34a_100000185865_200010402107 [0,1,0,1,0,0|2,0,0]=4 15188 B15R1.8958 CC(=O)SCCCNC1CCCCCC1 2230a_100000210984_100000038929 [0,1,0,1,0,0|2,0,0]=4 15189 B15R1.8958 CC(=O)SCCCNC1CCCCCC1 34a_100000210984_100000038929 [0,1,0,1,0,0|2,0,0]=4 15190 B15R1.8958 CC(=O)SCCCOC1CCCCCC1 34a_100000210887_100000038929 [0,1,0,1,0,0|2,0,0]=4 15191 B15R1.8958 CC(=O)SCCCOC1CCCCCC1 7a_100000210887_100000038929 [0,1,0,1,0,0|2,0,0]=4 15192 B15R1.8958 CC(=O)SCCCSC1CCCCCC1 62a_100000038929_100011217769 [0,1,0,1,0,0|2,0,0]=4 15193 B15R1.8958 CC(=O)SCCCSC1CCCCCC1 62a_100011217769_100000038929 [0,1,0,1,0,0|2,0,0]=4 15194 B15R1.8958 CC(=O)SCCNCC1CCCCCC1 269862a_100020647217_200000763224 [0,1,0,1,0,0|2,0,0]=4 15195 B15R1.8958 CC(O)CCCNCC1CCCCCC1 2230a_100015204231_200000718107 [0,1,0,1,0,0|1,0,1]=4 15196 B15R1.8958 CC(O)CCCNCC1CCCCCC1 34a_100015204231_200000718107 [0,1,0,1,0,0|1,0,1]=4 15197 B15R1.8958 CC(O)CCCOCC1CCCCCC1 34a_100000699130_200000718107 [0,1,0,1,0,0|1,0,1]=4 15198 B15R1.8958 CC(O)CCCOCC1CCCCCC1 7a_100000699130_200000718107 [0,1,0,1,0,0|1,0,1]=4 15199 B15R1.8958 CC(O)CCCSCC1CCCCCC1 62a_200000696569_200000718107 [0,1,0,1,0,0|1,0,1]=4 15200 B15R1.8958 CC(O)CCCSCC1CCCCCC1 62a_200000718107_200000696569 [0,1,0,1,0,0|1,0,1]=4 15201 B15R1.8958 CC(O)CCNCCC1CCCCCC1 2230a_100011532351_100012276601 [0,1,0,1,0,0|1,0,1]=4 15202 B15R1.8958 CC(O)CCNCCC1CCCCCC1 34a_100011532351_100012276601 [0,1,0,1,0,0|1,0,1]=4 15203 B15R1.8958 CS(=O)CCCNCC1CCCCCC1 2230a_200000753449_200000696569 [0,1,0,1,0,0|2,0,0]=4 15204 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100009817443 [0,1,0,1,0,0|1,0,0]=3 15205 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100009817443 [0,1,0,1,0,0|1,0,0]=3 15206 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 34a_100000185865_100009817443 [0,1,0,1,0,0|1,0,0]=3 15207 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 2230a_100000685342_100009817443 [0,1,0,1,0,0|2,0,0]=4 15208 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 269982a_100000685342_100009817443 [0,1,0,1,0,0|2,0,0]=4 15209 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 34a_100000685342_100009817443 [0,1,0,1,0,0|2,0,0]=4 15210 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 270004a_100000696515_100000210131 [0,1,0,1,0,0|1,0,0]=3 15211 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 34a_100000696515_100011217769 [0,1,0,1,0,0|1,0,0]=3 15212 B15R1.8958 NC(=O)CCCCNC1CCCNCC1 270004a_100000696515_100015187895 [0,1,0,1,0,0|2,0,0]=4 15213 B15R1.8958 NC(=O)CCCCOC1CCCCCC1 34a_100012022536_100011217769 [0,1,0,1,0,0|1,0,0]=3 15214 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 269862a_100000739312_200000763224 [0,1,0,1,0,0|1,0,0]=3 15215 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100000739312_200000696569 [0,1,0,1,0,0|1,0,0]=3 15216 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100015204231_100102525003 [0,1,0,1,0,0|1,0,0]=3 15217 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 34a_100000699130_100102525003 [0,1,0,1,0,0|1,0,0]=3 15218 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 7a_100000699130_100102525003 [0,1,0,1,0,0|1,0,0]=3 15219 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_100102525003_200000696569 [0,1,0,1,0,0|1,0,0]=3 15220 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_200000696569_100102525003 [0,1,0,1,0,0|1,0,0]=3 15221 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000744528 [0,1,0,1,0,0|1,0,0]=3 15222 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000731001 [0,1,0,1,0,0|1,0,0]=3 15223 B15R1.8958 NC(=O)CCOCCN1CCCCCC1 34a_100000238007_100000731001 [0,1,0,1,0,0|2,0,0]=4 15224 B15R1.8958 NC(=O)CCOCCN1CCCCCC1 7a_100000757172_100000722644 [0,1,0,1,0,0|2,0,0]=4 15225 B15R1.8958 NC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000744528 [0,1,0,1,0,0|2,0,0]=4 15226 B15R1.8958 NC(=O)CCSCCN1CCCCCC1 62a_100000744528_100000722644 [0,1,0,1,0,0|2,0,0]=4 15227 B15R1.8958 NC(=O)COCCCN1CCCCCC1 34a_100102886287_100000187820 [0,1,0,1,0,0|2,0,0]=4 15228 B15R1.8958 NC(=O)COCCCN1CCCCCC1 7a_100102886287_100000187820 [0,1,0,1,0,0|2,0,0]=4 15229 B15R1.8958 NC(=O)COCCNC1CCCCCC1 2230a_100000210984_100000076697 [0,1,0,1,0,0|2,0,0]=4 15230 B15R1.8958 NC(=O)COCCNC1CCCCCC1 34a_100000210984_100000076697 [0,1,0,1,0,0|2,0,0]=4 15231 B15R1.8958 NC(=O)COCCOC1CCCCCC1 34a_100000210887_100000076697 [0,1,0,1,0,0|2,0,0]=4 15232 B15R1.8958 NC(=O)COCCOC1CCCCCC1 7a_100000210887_100000076697 [0,1,0,1,0,0|2,0,0]=4 15233 B15R1.8958 NC(=O)COCCSC1CCCCCC1 62a_100000076697_100011217769 [0,1,0,1,0,0|2,0,0]=4 15234 B15R1.8958 NC(=O)COCCSC1CCCCCC1 62a_100011217769_100000076697 [0,1,0,1,0,0|2,0,0]=4 15235 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 2230a_100015204231_200000034859 [0,1,0,1,0,0|2,0,0]=4 15236 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 269862a_100020590234_200000763224 [0,1,0,1,0,0|2,0,0]=4 15237 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 34a_100020590234_200000696569 [0,1,0,1,0,0|2,0,0]=4 15238 B15R1.8958 NC(=O)NCCOCC1CCCCCC1 34a_100000181757_200000696569 [0,1,0,1,0,0|2,0,0]=4 15239 B15R1.8958 NC(=O)NCCOCC1CCCCCC1 7a_100000699130_200000034859 [0,1,0,1,0,0|2,0,0]=4 15240 B15R1.8958 NC(=O)NCCSCC1CCCCCC1 62a_200000034859_200000696569 [0,1,0,1,0,0|2,0,0]=4 15241 B15R1.8958 NC(=O)NCCSCC1CCCCCC1 62a_200000696569_200000034859 [0,1,0,1,0,0|2,0,0]=4 15242 B15R1.8958 NC(=O)OCCNCC1CCCCCC1 34a_100015204231_200011214921 [0,1,0,1,0,0|2,0,0]=4 15243 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 34a_100000699130_200011214921 [0,1,0,1,0,0|2,0,0]=4 15244 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 7a_100000699130_200011214921 [0,1,0,1,0,0|2,0,0]=4 15245 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 7a_100000766696_200000696569 [0,1,0,1,0,0|2,0,0]=4 15246 B15R1.8958 NC(=O)OCCSCC1CCCCCC1 62a_200000696569_200011214921 [0,1,0,1,0,0|2,0,0]=4 15247 B15R1.8958 NC(=O)OCCSCC1CCCCCC1 62a_200011214921_200000696569 [0,1,0,1,0,0|2,0,0]=4 15248 B15R1.8958 O=C(O)COCCNC1CCCCCC1 269956a_100000700818_100011217769 [0,1,0,1,0,0|1,0,0]=3 15249 B15R1.8958 O=C(O)CONCCN1CCCCCC1 269956a_100000106656_100000722644 [0,1,0,1,0,0|2,0,0]=4 15250 B15R1.8958 O=C([O-])COCCCN1CCCCCC1 34a_100102886287_100020667443 [0,1,0,1,0,0|1,0,1]=4 15251 B15R1.8958 O=[N+]([O-])CCCCOC1CCCCCC1 34a_200015379883_100011217769 [0,1,0,1,0,0|1,0,1]=4 15252 B15R1.8958 O=[N+]([O-])CCCOCC1CCCCCC1 34a_200000037920_200000696569 [0,1,0,1,0,0|1,0,1]=4 15253 B15R1.8958 OB(O)CCCCCN1CCCCCC1 2230a_100000185865_200009817188 [0,1,0,1,0,0|1,0,1]=4 15254 B15R1.8958 OB(O)CCCCCN1CCCCCC1 269982a_100000185865_200009817188 [0,1,0,1,0,0|1,0,1]=4 15255 B15R1.8958 OB(O)CCCCCN1CCCCCC1 34a_100000185865_200009817188 [0,1,0,1,0,0|1,0,1]=4 15256 B15R1.8958 OB(O)CCCCNC1CCCCCC1 2230a_100000210984_200009817182 [0,1,0,1,0,0|1,0,1]=4 15257 B15R1.8958 OB(O)CCCCNC1CCCCCC1 34a_100000210984_200009817182 [0,1,0,1,0,0|1,0,1]=4 15258 B15R1.8958 OB(O)CCCCOC1CCCCCC1 34a_100000210887_200009817182 [0,1,0,1,0,0|1,0,1]=4 15259 B15R1.8958 OB(O)CCCCOC1CCCCCC1 7a_100000210887_200009817182 [0,1,0,1,0,0|1,0,1]=4 15260 B15R1.8958 OB(O)CCCCSC1CCCCCC1 62a_100011217769_200009817182 [0,1,0,1,0,0|1,0,1]=4 15261 B15R1.8958 OB(O)CCCCSC1CCCCCC1 62a_200009817182_100011217769 [0,1,0,1,0,0|1,0,1]=4 15262 B15R1.9022 CN(CCCCCC(=O)N)CC1CCC1 2230a_200000750244_100009817443 [0,1,0,1,0,0|2,0,0]=4 15263 B15R1.9022 CN(CCCCCC(=O)N)CC1CCC1 269982a_200000750244_100009817443 [0,1,0,1,0,0|2,0,0]=4 15264 B15R1.9022 CN(CCCCCC(=O)N)CC1CCC1 34a_200000750244_100009817443 [0,1,0,1,0,0|2,0,0]=4 15265 B15R1.9022 NC(=O)CCCCCC(=O)CC1CCC1 1458a_100000763092_100009817443 [0,1,0,1,0,0|1,0,1]=4 15266 B15R1.9023 NC(=O)CCCCCC(=O)CCC1CC1 1458a_100000756386_100009817443 [0,1,0,1,0,0|1,0,1]=4 15267 B15R1.13123 CCC1CC1C(=O)CCCCCC(=O)N 1458a_200011661523_100009817443 [0,1,0,1,0,0|1,0,1]=4 15268 B15R1.31280 CC(=O)CCCCNC1(CCCCC1)C 34a_100000741114_100009817362 [0,1,0,1,0,0|2,0,0]=4 15269 B15R1.31280 CC(=O)CCCCOC1(CCCCC1)C 34a_100011215885_100009817362 [0,1,0,1,0,0|2,0,0]=4 15270 B15R1.31280 CC(=O)CCCCOC1(CCCCC1)C 7a_100011215885_100000735457 [0,1,0,1,0,0|2,0,0]=4 15271 B15R1.31280 CC(=O)CCCNCC1(CCCCC1)C 34a_100000706052_100000685027 [0,1,0,1,0,0|2,0,0]=4 15272 B15R1.31280 CC(=O)CCCNCC1(CCCCC1)O 34a_100000748649_100000685027 [0,1,0,1,0,0|2,0,0]=4 15273 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)C 34a_100000688186_100000685027 [0,1,0,1,0,0|2,0,0]=4 15274 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)C 7a_100000688186_100011215641 [0,1,0,1,0,0|2,0,0]=4 15275 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)F 34a_100000090305_100000685027 [0,1,0,1,0,0|2,0,0]=4 15276 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)F 7a_100000090305_100011215641 [0,1,0,1,0,0|2,0,0]=4 15277 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)N 34a_100000740034_100000685027 [0,1,0,1,0,0|2,0,0]=4 15278 B15R1.31280 CC1(CCCCC1)CNCCCC(=O)N 269862a_100000739312_100011935227 [0,1,0,1,0,0|2,0,0]=4 15279 B15R1.31280 CC1(CCCCC1)CNCCCC(=O)N 34a_100000706052_100102525003 [0,1,0,1,0,0|2,0,0]=4 15280 B15R1.31280 CC1(CCCCC1)COCCCC(=O)N 34a_100000688186_100102525003 [0,1,0,1,0,0|2,0,0]=4 15281 B15R1.31280 CC1(CCCCC1)COCCCC(=O)N 7a_100000688186_100102525003 [0,1,0,1,0,0|2,0,0]=4 15282 B15R1.31280 NC(=O)CCCNCC1(CCCCC1)O 34a_100000748649_100102525003 [0,1,0,1,0,0|2,0,0]=4 15283 B15R1.31280 NC(=O)CCCOCC1(CCCCC1)F 34a_100000090305_100102525003 [0,1,0,1,0,0|2,0,0]=4 15284 B15R1.31280 NC(=O)CCCOCC1(CCCCC1)F 7a_100000090305_100102525003 [0,1,0,1,0,0|2,0,0]=4 15285 B15R1.31280 NC(=O)CCCOCC1(CCCCC1)N 34a_100000740034_100102525003 [0,1,0,1,0,0|2,0,0]=4 15286 B15R1.31280 NC(=O)CCNCCC1(CCCCC1)O 2230a_100102740465_100000744528 [0,1,0,1,0,0|2,0,0]=4 15287 B15R1.31280 NC(=O)CCNCCC1(CCCCC1)O 34a_100102740465_100000731001 [0,1,0,1,0,0|2,0,0]=4 15288 B15R1.64 CCC1CCCC(C1)OCCCC(=O)C 7a_100011985506_100011215641 [0,1,0,1,0,0|2,0,0]=4 15289 B15R1.64 CCC1CCCC(C1)OCCCC(=O)N 7a_100011985506_100102525003 [0,1,0,1,0,0|2,0,0]=4 15290 B15R1.123 CC(=O)CCCNC1CCCC(C1C)C 34a_100000211273_100000685027 [0,1,0,1,0,0|2,0,0]=4 15291 B15R1.123 CC(=O)CCCOC1CCCC(C1C)C 34a_100011217532_100000685027 [0,1,0,1,0,0|2,0,0]=4 15292 B15R1.123 CC(=O)CCCOC1CCCC(C1C)C 7a_100011217532_100011215641 [0,1,0,1,0,0|2,0,0]=4 15293 B15R1.123 CC1CCCC(C1C)NCCCC(=O)N 34a_100000211273_100102525003 [0,1,0,1,0,0|2,0,0]=4 15294 B15R1.123 CC1CCCC(C1C)OCCCC(=O)N 34a_100011217532_100102525003 [0,1,0,1,0,0|2,0,0]=4 15295 B15R1.123 CC1CCCC(C1C)OCCCC(=O)N 7a_100011217532_100102525003 [0,1,0,1,0,0|2,0,0]=4 15296 B15R1.871 CC(=O)CCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009817362 [0,1,0,1,0,0|2,0,0]=4 15297 B15R1.871 CC(=O)CCCCOC1CCC(CC1)C 34a_100000210714_100009817362 [0,1,0,1,0,0|2,0,0]=4 15298 B15R1.871 CC(=O)CCCCOC1CCC(CC1)C 7a_100000210714_100000735457 [0,1,0,1,0,0|2,0,0]=4 15299 B15R1.871 CC(=O)CCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100009817362 [0,1,0,1,0,0|2,0,0]=4 15300 B15R1.871 CC(=O)CCCCSC1CCC(CC1)C 62a_100000735457_200011216234 [0,1,0,1,0,0|2,0,0]=4 15301 B15R1.871 CC(=O)CCCNCC1CCC(CC1)C 34a_103436935547_100000685027 [0,1,0,1,0,0|2,0,0]=4 15302 B15R1.871 CC(=O)CCCOCC1CCC(CC1)C 34a_100000701341_100000685027 [0,1,0,1,0,0|2,0,0]=4 15303 B15R1.871 CC(=O)CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000685027 [0,1,0,1,0,0|2,0,0]=4 15304 B15R1.871 CC1CCC(CC1)CNCCCC(=O)N 34a_103436935547_100102525003 [0,1,0,1,0,0|2,0,0]=4 15305 B15R1.871 CC1CCC(CC1)COCCCC(=O)N 34a_100000701341_100102525003 [0,1,0,1,0,0|2,0,0]=4 15306 B15R1.871 CC1CCC(CC1)NCCCCC(=O)N 270004a_100000696515_100000185489 [0,1,0,1,0,0|2,0,0]=4 15307 B15R1.871 CC1CCC(CC1)NCCCCC(=O)N 34a_100000696515_200011216234 [0,1,0,1,0,0|2,0,0]=4 15308 B15R1.871 CC1CCC(CC1)NCCOCC(=O)O 269956a_100000700818_200011216234 [0,1,0,1,0,0|2,0,0]=4 15309 B15R1.871 CC1CCC(CC1)OCCCCC(=O)N 34a_100012022536_200011216234 [0,1,0,1,0,0|2,0,0]=4 15310 B15R1.871 CC1CCN(CC1)CCCCCC(=O)N 2230a_100000188429_100009817443 [0,1,0,1,0,0|2,0,0]=4 15311 B15R1.871 CC1CCN(CC1)CCCCCC(=O)N 269982a_100000188429_100009817443 [0,1,0,1,0,0|2,0,0]=4 15312 B15R1.871 CC1CCN(CC1)CCCCCC(=O)N 34a_100000188429_100009817443 [0,1,0,1,0,0|2,0,0]=4 15313 B15R1.871 NC(=O)CCCCCN1CCC(CC1)F 2230a_100015193889_100009817443 [0,1,0,1,0,0|2,0,0]=4 15314 B15R1.871 NC(=O)CCCCCN1CCC(CC1)F 269982a_100015193889_100009817443 [0,1,0,1,0,0|2,0,0]=4 15315 B15R1.871 NC(=O)CCCCCN1CCC(CC1)F 34a_100015193889_100009817443 [0,1,0,1,0,0|2,0,0]=4 15316 B15R1.871 NC(=O)CCCCCN1CCC(CC1)O 2230a_100025773856_100009817443 [0,1,0,1,0,0|2,0,0]=4 15317 B15R1.871 NC(=O)CCCCCN1CCC(CC1)O 269982a_100025773856_100009817443 [0,1,0,1,0,0|2,0,0]=4 15318 B15R1.871 NC(=O)CCCCNC1CCC(CC1)O 270004a_100000696515_100000764474 [0,1,0,1,0,0|2,0,0]=4 15319 B15R1.871 NC(=O)CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100102525003 [0,1,0,1,0,0|2,0,0]=4 15320 B15R1.871 NC(=O)CCNCCC1CCC(CC1)O 34a_200011935226_100000731001 [0,1,0,1,0,0|2,0,0]=4 15321 B15R1.871 NC(=O)CCOCCC1CCC(CC1)N 34a_100000070672_100000731001 [0,1,0,1,0,0|2,0,0]=4 15322 B15R1.961 CCC(C)CCCOCC1CNC(=O)O1 7a_100011216074_100000181169 [0,1,0,1,0,0|2,0,0]=4 15323 B15R1.961 CCC(C)CCCOC[C@@H]1CCC(=O)N1 7a_100011216074_100015189358 [0,1,0,1,0,0|2,0,0]=4 15324 B15R1.985 CCC(C)N1CCCCC1CCC(=O)O 269956a_100000694054_100000758301 [0,1,0,1,0,0|1,0,0]=3 15325 B15R1.985 COC(C)N1CCCCC1CCC(=O)O 269956a_100000694054_100009879195 [0,1,0,1,0,0|2,0,0]=4 15326 B15R1.985 C[C@H](CO)N1CCCCC1CCC(=O)O 269956a_100000694054_100016084084 [0,1,0,1,0,0|2,0,0]=4 15327 B15R1.1101 COC(=O)CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009815986 [0,1,0,1,0,0|2,0,0]=4 15328 B15R1.1101 COC(=O)CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009815986 [0,1,0,1,0,0|2,0,0]=4 15329 B15R1.1101 COC(=O)CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009815986 [0,1,0,1,0,0|2,0,0]=4 15330 B15R1.1101 COC(=O)CCCCCOCC1CC1C 34a_100000744939_100009816466 [0,1,0,1,0,0|1,0,0]=3 15331 B15R1.1101 COC(=O)CCCCCOCC1CC1C 7a_100000744939_100009816466 [0,1,0,1,0,0|1,0,0]=3 15332 B15R1.1108 CCC(=O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000747405 [0,1,0,1,0,0|1,0,1]=4 15333 B15R1.1108 CCC(C)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000748023 [0,1,0,1,0,0|1,0,0]=3 15334 B15R1.1108 CCC(O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218378 [0,1,0,1,0,0|1,0,0]=3 15335 B15R1.1108 CC[C@H](C)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009816398 [0,1,0,1,0,0|1,0,0]=3 15336 B15R1.1108 C[C@@H](CO)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000059175 [0,1,0,1,0,0|2,0,0]=4 15337 B15R1.1108 O=C(O)[C@@H]1CCCC[C@H]1NCC(O)CO 269956a_100009816435_100011219619 [0,1,0,1,0,0|2,0,0]=4 15338 B15R1.1108 O=C(O)[C@@H]1CCCC[C@H]1NC[C@@H](O)CF 269956a_100009816435_100015614560 [0,1,0,1,0,0|2,0,0]=4 15339 B15R1.1108 O=C(O)[C@@H]1CCCC[C@H]1NC[C@@H](O)CO 269956a_100009816435_100009815848 [0,1,0,1,0,0|2,0,0]=4 15340 B15R1.3181 CCN(C)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100015186262 [0,1,0,1,0,0|2,0,0]=4 15341 B15R1.3845 CCC(C)CN1CCCCC1CC(=O)N 2230a_100015184752_100000748023 [0,1,0,1,0,0|2,0,0]=4 15342 B15R1.3845 CCC(C)CN1CCCCC1CC(=O)N 269982a_100015184752_100000748023 [0,1,0,1,0,0|2,0,0]=4 15343 B15R1.3845 CCC(C)CN1CCCCC1CC(=O)N 270004a_100015184752_100000243153 [0,1,0,1,0,0|2,0,0]=4 15344 B15R1.3845 CCC(C)CN1CCCCC1CC(=O)N 34a_100015184752_100000748023 [0,1,0,1,0,0|2,0,0]=4 15345 B15R1.3845 CCC(O)CN1CCCCC1CC(=O)N 2230a_100015184752_100011218378 [0,1,0,1,0,0|2,0,0]=4 15346 B15R1.3845 CCC(O)CN1CCCCC1CC(=O)N 269982a_100015184752_100011218378 [0,1,0,1,0,0|2,0,0]=4 15347 B15R1.3845 CCC(O)CN1CCCCC1CC(=O)N 34a_100015184752_100011218378 [0,1,0,1,0,0|2,0,0]=4 15348 B15R1.3845 CC[C@H](C)CN1CCCCC1CC(=O)N 2230a_100015184752_100009816398 [0,1,0,1,0,0|2,0,0]=4 15349 B15R1.3845 CC[C@H](C)CN1CCCCC1CC(=O)N 269982a_100015184752_100009816398 [0,1,0,1,0,0|2,0,0]=4 15350 B15R1.3845 CC[C@H](C)CN1CCCCC1CC(=O)N 34a_100015184752_100009816398 [0,1,0,1,0,0|2,0,0]=4 15351 B15R1.6612 CC(=O)CCCCN1CCCC(CC1)C 269982a_100025706717_100000735457 [0,1,0,1,0,0|2,0,0]=4 15352 B15R1.6612 CC(=O)CCCCN1CCCC(CC1)C 34a_100025706717_100009817362 [0,1,0,1,0,0|2,0,0]=4 15353 B15R1.6612 CC(=O)CCCCN1CCCC(CC1)O 269982a_100015186869_100000735457 [0,1,0,1,0,0|2,0,0]=4 15354 B15R1.8881 CC(=O)NCCCCCCNC1CCC1 270004a_200011996284_100000241760 [0,1,0,1,0,0|2,0,0]=4 15355 B15R1.8881 CC(=O)NCCCCCCNC1CCC1 34a_200011996284_100000749161 [0,1,0,1,0,0|2,0,0]=4 15356 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 2230a_200012022750_100000763275 [0,1,0,1,0,0|2,0,0]=4 15357 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 269862a_200012022750_100000753134 [0,1,0,1,0,0|2,0,0]=4 15358 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 34a_200012022750_100000763275 [0,1,0,1,0,0|2,0,0]=4 15359 B15R1.8881 CC(=O)OCCCCCNCC1CCC1 2230a_100000738700_100009813381 [0,1,0,1,0,0|2,0,0]=4 15360 B15R1.8881 CC(=O)OCCCCCNCC1CCC1 34a_100000738700_100000033007 [0,1,0,1,0,0|2,0,0]=4 15361 B15R1.8881 CC(=O)OCCCCCOCC1CCC1 34a_100000760304_100000033007 [0,1,0,1,0,0|2,0,0]=4 15362 B15R1.8881 CC(=O)OCCCCCSCC1CCC1 62a_100000033007_100000763275 [0,1,0,1,0,0|2,0,0]=4 15363 B15R1.8881 CC(=O)OCCCCCSCC1CCC1 62a_100000763275_100000033007 [0,1,0,1,0,0|2,0,0]=4 15364 B15R1.8881 CC(=O)SCCCCCCNC1CCC1 270004a_100000704104_100000241760 [0,1,0,1,0,0|2,0,0]=4 15365 B15R1.8881 NC(=O)CCCCCOCCC1COC1 34a_100009855314_100009817443 [0,1,0,1,0,0|2,0,0]=4 15366 B15R1.8881 O=C(O)COCCOCCNC1CCC1 269956a_100009854275_100000749161 [0,1,0,1,0,0|2,0,0]=4 15367 B15R1.8881 OB(O)CCCCCCNCC1CCC1 2230a_100000738700_100009817187 [0,1,0,1,0,0|1,0,1]=4 15368 B15R1.8881 OB(O)CCCCCCNCC1CCC1 34a_100000738700_100009817187 [0,1,0,1,0,0|1,0,1]=4 15369 B15R1.8881 OB(O)CCCCCCOCC1CCC1 34a_100000760304_100009817187 [0,1,0,1,0,0|1,0,1]=4 15370 B15R1.8881 OB(O)CCCCCCSCC1CCC1 62a_100000763275_100009817187 [0,1,0,1,0,0|1,0,1]=4 15371 B15R1.8881 OB(O)CCCCCCSCC1CCC1 62a_100009817187_100000763275 [0,1,0,1,0,0|1,0,1]=4 15372 B15R1.11398 CCC(=O)CN1CCCCCC1C(=O)O 269956a_100000758484_100000747405 [0,1,0,1,0,0|1,0,1]=4 15373 B15R1.11398 CCC(C)CN1CCCCCC1C(=O)O 269956a_100000758484_100000748023 [0,1,0,1,0,0|1,0,0]=3 15374 B15R1.11398 CCC(O)CN1CCCCCC1C(=O)O 269956a_100000758484_100011218378 [0,1,0,1,0,0|1,0,0]=3 15375 B15R1.11398 CC[C@H](C)CN1CCCCCC1C(=O)O 269956a_100000758484_100009816398 [0,1,0,1,0,0|1,0,0]=3 15376 B15R1.11398 C[C@@H](CO)CN1CCCCCC1C(=O)O 269956a_100000758484_100000059175 [0,1,0,1,0,0|2,0,0]=4 15377 B15R1.11398 O=C(O)C1CCCCCN1CC(O)CO 269956a_100000758484_100011219619 [0,1,0,1,0,0|2,0,0]=4 15378 B15R1.11398 O=C(O)C1CCCCCN1C[C@@H](O)CF 269956a_100000758484_100015614560 [0,1,0,1,0,0|2,0,0]=4 15379 B15R1.11398 O=C(O)C1CCCCCN1C[C@@H](O)CO 269956a_100000758484_100009815848 [0,1,0,1,0,0|2,0,0]=4 15380 B15R1.11631 COC(=O)CCCCCCCNC1CC1 34a_100000212008_100010004213 [0,1,0,1,0,0|1,0,0]=3 15381 B15R1.11631 COC(=O)CCCCCCCOC1CC1 34a_100011022521_100000211595 [0,1,0,1,0,0|1,0,0]=3 15382 B15R1.11631 COC(=O)CCCCCCCSC1CC1 62a_100010004213_100000211595 [0,1,0,1,0,0|1,0,0]=3 15383 B15R1.11631 COC(=O)CCCCCCNCC1CC1 2230a_100000735609_100009815986 [0,1,0,1,0,0|1,0,0]=3 15384 B15R1.11631 COC(=O)CCCCCCNCC1CC1 34a_100000735609_100009815986 [0,1,0,1,0,0|1,0,0]=3 15385 B15R1.11631 COC(=O)CCCCCCOCC1CC1 34a_100000211283_100009815986 [0,1,0,1,0,0|1,0,0]=3 15386 B15R1.11631 COC(=O)CCCCCCOCC1CC1 34a_100009863599_100000742324 [0,1,0,1,0,0|1,0,0]=3 15387 B15R1.11631 COC(=O)CCCCCCOCC1CC1 7a_100009863599_100000742324 [0,1,0,1,0,0|1,0,0]=3 15388 B15R1.11631 COC(=O)CCCCCCOCC1CO1 34a_100009863599_102125554688 [0,1,0,1,0,0|2,0,0]=4 15389 B15R1.11631 COC(=O)CCCCCCOCC1CO1 7a_100009863599_102125554688 [0,1,0,1,0,0|2,0,0]=4 15390 B15R1.11631 COC(=O)CCCCCCOCC1CS1 7a_100009863599_100000031435 [0,1,0,1,0,0|2,0,0]=4 15391 B15R1.11631 COC(=O)CCCCCCOC[C@@H]1CO1 34a_100000757423_100009815986 [0,1,0,1,0,0|2,0,0]=4 15392 B15R1.11631 COC(=O)CCCCCCOC[C@@H]1CO1 7a_100009863599_100000745022 [0,1,0,1,0,0|2,0,0]=4 15393 B15R1.11631 COC(=O)CCCCCCSCC1CC1 62a_100000756562_100009815986 [0,1,0,1,0,0|1,0,0]=3 15394 B15R1.11631 COC(=O)CCCCCCSCC1CC1 62a_100009815986_100000742324 [0,1,0,1,0,0|1,0,0]=3 15395 B15R1.11631 COC(=O)CCCCCCSCC1CO1 62a_100009815986_102125554688 [0,1,0,1,0,0|2,0,0]=4 15396 B15R1.11631 COC(=O)CCCCCCSCC1CO1 62a_102125554688_100009815986 [0,1,0,1,0,0|2,0,0]=4 15397 B15R1.11631 COC(=O)CCCCCCSCC1CS1 62a_100000031435_100009815986 [0,1,0,1,0,0|2,0,0]=4 15398 B15R1.11631 COC(=O)CCCCCCSCC1CS1 62a_100009815986_100000031435 [0,1,0,1,0,0|2,0,0]=4 15399 B15R1.11631 COC(=O)CCCCCCSC[C@@H]1CO1 62a_100000745022_100009815986 [0,1,0,1,0,0|2,0,0]=4 15400 B15R1.11631 COC(=O)CCCCCCSC[C@@H]1CO1 62a_100009815986_100000745022 [0,1,0,1,0,0|2,0,0]=4 15401 B15R1.11631 COC(=O)CCCCCNCCC1CC1 34a_100000764129_100009816466 [0,1,0,1,0,0|1,0,0]=3 15402 B15R1.11631 COC(=O)CCCCCOCCC1CC1 34a_100000074720_100000694398 [0,1,0,1,0,0|1,0,0]=3 15403 B15R1.11631 COC(=O)CCCCCOCCC1CC1 34a_100000754188_100009816466 [0,1,0,1,0,0|1,0,0]=3 15404 B15R1.11631 COC(=O)CCCCCOCCC1CC1 7a_100000074720_100000764125 [0,1,0,1,0,0|1,0,0]=3 15405 B15R1.11631 COC(=O)CCCCCOCCC1CC1 7a_100000754188_100009816466 [0,1,0,1,0,0|1,0,0]=3 15406 B15R1.11631 COC(=O)CCCCCOCCC1CO1 34a_100000074720_100000732470 [0,1,0,1,0,0|2,0,0]=4 15407 B15R1.11631 COC(=O)CCCCCOCCC1CO1 7a_100000074720_100000732470 [0,1,0,1,0,0|2,0,0]=4 15408 B15R1.11631 COC(=O)CCCCCOCC[C@@H]1CO1 34a_100009820653_100009816466 [0,1,0,1,0,0|2,0,0]=4 15409 B15R1.11631 COC(=O)CCCCCSCCC1CC1 62a_100000764125_100009816466 [0,1,0,1,0,0|1,0,0]=3 15410 B15R1.11631 COC(=O)CCCCCSCCC1CC1 62a_100009816466_100000764125 [0,1,0,1,0,0|1,0,0]=3 15411 B15R1.11631 COC(=O)CCCCCSCCC1CO1 62a_100000732470_100009816466 [0,1,0,1,0,0|2,0,0]=4 15412 B15R1.11631 COC(=O)CCCCCSCCC1CO1 62a_100009816466_100000732470 [0,1,0,1,0,0|2,0,0]=4 15413 B15R1.11631 COC(=O)CCCCOCCCC1CO1 34a_100000059025_100000733510 [0,1,0,1,0,0|2,0,0]=4 15414 B15R1.11631 COC(=O)CCCCOCCCC1CO1 7a_100000059025_100000733510 [0,1,0,1,0,0|2,0,0]=4 15415 B15R1.11631 COC(=O)CCCCOCCNC1CC1 34a_100000738766_100000204269 [0,1,0,1,0,0|2,0,0]=4 15416 B15R1.11631 COC(=O)CCCCSCCCC1CO1 62a_100000204269_100000733510 [0,1,0,1,0,0|2,0,0]=4 15417 B15R1.11631 COC(=O)CCCCSCCCC1CO1 62a_100000733510_100000204269 [0,1,0,1,0,0|2,0,0]=4 15418 B15R1.12 CCCCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210681 [0,1,0,1,0,0|2,0,0]=4 15419 B15R1.12 CCCCCCCNC1CCC(=O)NC1 34a_100000748762_100000210614 [0,1,0,1,0,0|2,0,0]=4 15420 B15R1.12 CCCCCCCOC1CCC(=O)CC1 34a_100000764474_100000210614 [0,1,0,1,0,0|2,0,0]=4 15421 B15R1.12 CCCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210614 [0,1,0,1,0,0|2,0,0]=4 15422 B15R1.12 CCCCCCCOC1CCC(=O)NC1 34a_100000079199_100000210614 [0,1,0,1,0,0|2,0,0]=4 15423 B15R1.12 CCCCCCOCC1CCC(=O)CC1 34a_100000062911_100000210314 [0,1,0,1,0,0|2,0,0]=4 15424 B15R1.22 CCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210326 [0,1,0,1,0,0|2,0,0]=4 15425 B15R1.22 CCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000718602 [0,1,0,1,0,0|2,0,0]=4 15426 B15R1.34 CCCCCCCCCN1CCC(C1)O 2230a_100011215560_100011214924 [0,1,0,1,0,0|1,0,1]=4 15427 B15R1.34 CCCCCCCCCN1CCC(C1)O 269982a_100011215560_100000210670 [0,1,0,1,0,0|1,0,1]=4 15428 B15R1.34 CCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011214924 [0,1,0,1,0,0|2,0,0]=4 15429 B15R1.34 CCCCCCCCNC1CCC(C1)O 270004a_100000229939_100012614533 [0,1,0,1,0,0|1,0,1]=4 15430 B15R1.34 CCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210759 [0,1,0,1,0,0|2,0,0]=4 15431 B15R1.34 CCCCCCCCNC1COC(=O)O1 34a_100000229939_100000032252 [0,1,0,1,0,0|1,0,0]=3 15432 B15R1.34 CCCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210759 [0,1,0,1,0,0|1,0,1]=4 15433 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [0,1,0,1,0,0|1,0,0]=3 15434 B15R1.34 CCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210759 [0,1,0,1,0,0|2,0,0]=4 15435 B15R1.34 CCCCCCCCOC1COC(=O)O1 34a_100000210232_100000032252 [0,1,0,1,0,0|1,0,0]=3 15436 B15R1.34 CCCCCCCCSC1COC(=O)O1 62a_100000210759_100000032252 [0,1,0,1,0,0|1,0,0]=3 15437 B15R1.34 CCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210681 [0,1,0,1,0,0|2,0,0]=4 15438 B15R1.34 CCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210614 [0,1,0,1,0,0|2,0,0]=4 15439 B15R1.34 CCCCCCCNCC1CNC(=O)O1 2230a_100000229938_100000181169 [0,1,0,1,0,0|1,0,0]=3 15440 B15R1.34 CCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229938_100015189358 [0,1,0,1,0,0|1,0,0]=3 15441 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210681 [0,1,0,1,0,0|1,0,0]=3 15442 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210614 [0,1,0,1,0,0|1,0,0]=3 15443 B15R1.34 CCCCCCCNC[C@H]1COC(=O)N1 2230a_100000229938_100015307671 [0,1,0,1,0,0|2,0,0]=4 15444 B15R1.34 CCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210614 [0,1,0,1,0,0|1,0,0]=3 15445 B15R1.34 CCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210614 [0,1,0,1,0,0|2,0,0]=4 15446 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100000210272_100000181169 [0,1,0,1,0,0|1,0,0]=3 15447 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210614 [0,1,0,1,0,0|1,0,0]=3 15448 B15R1.34 CCCCCCCOCC1CNC(=O)O1 7a_100000210272_100000181169 [0,1,0,1,0,0|1,0,0]=3 15449 B15R1.34 CCCCCCCOCC1COC(=O)O1 34a_100000210272_100000073702 [0,1,0,1,0,0|1,0,0]=3 15450 B15R1.34 CCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210272_100015189358 [0,1,0,1,0,0|1,0,0]=3 15451 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 34a_100000210272_100015307671 [0,1,0,1,0,0|2,0,0]=4 15452 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 7a_100000210272_100015307671 [0,1,0,1,0,0|2,0,0]=4 15453 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210316 [0,1,0,1,0,0|1,0,0]=3 15454 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000210614_100000181169 [0,1,0,1,0,0|1,0,0]=3 15455 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210316 [0,1,0,1,0,0|1,0,0]=3 15456 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000210614_100000073702 [0,1,0,1,0,0|1,0,0]=3 15457 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210614_100015189358 [0,1,0,1,0,0|1,0,0]=3 15458 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210316 [0,1,0,1,0,0|1,0,0]=3 15459 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100000210614_100015307671 [0,1,0,1,0,0|2,0,0]=4 15460 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210316 [0,1,0,1,0,0|2,0,0]=4 15461 B15R1.34 CCCCCCOCCC1COS(=O)O1 7a_100000210259_100009840081 [0,1,0,1,0,0|2,0,0]=4 15462 B15R1.34 CCCCCCSCCC1COS(=O)O1 62a_100000210314_100009840081 [0,1,0,1,0,0|2,0,0]=4 15463 B15R1.34 CCCCCNCCOC1COC(=O)O1 34a_100000224656_100000032252 [0,1,0,1,0,0|2,0,0]=4 15464 B15R1.34 CCCCCOCCOC1COC(=O)O1 34a_100011215259_100000032252 [0,1,0,1,0,0|2,0,0]=4 15465 B15R1.34 CCCCOCCCNC1COC(=O)O1 34a_200000211371_100000032252 [0,1,0,1,0,0|2,0,0]=4 15466 B15R1.34 CCCCOCCCOC1COC(=O)O1 34a_200011215613_100000032252 [0,1,0,1,0,0|2,0,0]=4 15467 B15R1.34 CCCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000743108 [0,1,0,1,0,0|2,0,0]=4 15468 B15R1.34 CCCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000743108 [0,1,0,1,0,0|2,0,0]=4 15469 B15R1.34 CCCCOCCOCC1CCC(=O)N1 34a_100000737831_100000743108 [0,1,0,1,0,0|2,0,0]=4 15470 B15R1.34 CCCCOCCOCC1CNC(=O)O1 34a_100000210238_100000181169 [0,1,0,1,0,0|2,0,0]=4 15471 B15R1.34 CCCCOCCOCC1CNC(=O)O1 34a_100011315639_100000743108 [0,1,0,1,0,0|2,0,0]=4 15472 B15R1.34 CCCCOCCOCC1CNC(=O)O1 7a_100000210238_100000181169 [0,1,0,1,0,0|2,0,0]=4 15473 B15R1.34 CCCCOCCOCC1COC(=O)O1 34a_100000210238_100000073702 [0,1,0,1,0,0|2,0,0]=4 15474 B15R1.34 CCCCOCCOC[C@@H]1CCC(=O)N1 7a_100000210238_100015189358 [0,1,0,1,0,0|2,0,0]=4 15475 B15R1.34 CCCCOCCSCC1CNC(=O)O1 62a_100000181169_100000743108 [0,1,0,1,0,0|2,0,0]=4 15476 B15R1.34 CCCCOCCSCC1CNC(=O)O1 62a_100000743108_100000181169 [0,1,0,1,0,0|2,0,0]=4 15477 B15R1.34 CCCCOCCSCC1COC(=O)O1 62a_100000073702_100000743108 [0,1,0,1,0,0|2,0,0]=4 15478 B15R1.34 CCCCOCCSCC1COC(=O)O1 62a_100000743108_100000073702 [0,1,0,1,0,0|2,0,0]=4 15479 B15R1.34 CCCCOCCSC[C@@H]1CCC(=O)N1 62a_100000743108_100015189358 [0,1,0,1,0,0|2,0,0]=4 15480 B15R1.34 CCCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000743108 [0,1,0,1,0,0|2,0,0]=4 15481 B15R1.34 CCCCSCCNCC1CNC(=O)O1 2230a_100025743550_100000181169 [0,1,0,1,0,0|2,0,0]=4 15482 B15R1.34 CCCCSCCNC[C@@H]1CCC(=O)N1 2230a_100025743550_100015189358 [0,1,0,1,0,0|2,0,0]=4 15483 B15R1.34 CCCCSCCOCC1CNC(=O)O1 34a_200000230436_100000181169 [0,1,0,1,0,0|2,0,0]=4 15484 B15R1.34 CCCCSCCOCC1CNC(=O)O1 7a_200000230436_100000181169 [0,1,0,1,0,0|2,0,0]=4 15485 B15R1.34 CCCCSCCOCC1COC(=O)O1 34a_200000230436_100000073702 [0,1,0,1,0,0|2,0,0]=4 15486 B15R1.34 CCCCSCCOC[C@@H]1CCC(=O)N1 7a_200000230436_100015189358 [0,1,0,1,0,0|2,0,0]=4 15487 B15R1.34 CCCOCCCNCC1CNC(=O)O1 2230a_100011217757_100000181169 [0,1,0,1,0,0|2,0,0]=4 15488 B15R1.34 CCCOCCCNCC1CNC(=O)O1 34a_100011217757_100000181169 [0,1,0,1,0,0|2,0,0]=4 15489 B15R1.34 CCCOCCCNCC1COC(=O)O1 34a_100011217757_100000073702 [0,1,0,1,0,0|2,0,0]=4 15490 B15R1.34 CCCOCCCNC[C@@H]1CCC(=O)N1 2230a_100011217757_100015189358 [0,1,0,1,0,0|2,0,0]=4 15491 B15R1.34 CNCCCCCOCC1CNC(=O)O1 34a_100000722520_100000181169 [0,1,0,1,0,0|2,0,0]=4 15492 B15R1.34 CNCCCCCOCC1COC(=O)O1 34a_100000722520_100000073702 [0,1,0,1,0,0|2,0,0]=4 15493 B15R1.34 COCCCCCCOC1CCC(=O)C1 34a_100012614533_100011998445 [0,1,0,1,0,0|2,0,0]=4 15494 B15R1.34 COCCCCCCOC1COC(=O)O1 34a_200012092642_100000032252 [0,1,0,1,0,0|2,0,0]=4 15495 B15R1.34 COCCCCCCSC1COC(=O)O1 62a_100011998445_100000032252 [0,1,0,1,0,0|2,0,0]=4 15496 B15R1.34 COCCCCCNCC1CNC(=O)O1 2230a_100000747528_100000181169 [0,1,0,1,0,0|2,0,0]=4 15497 B15R1.34 COCCCCCNCC1CNC(=O)O1 34a_100000747528_100000181169 [0,1,0,1,0,0|2,0,0]=4 15498 B15R1.34 COCCCCCNCC1COC(=O)O1 34a_100000747528_100000073702 [0,1,0,1,0,0|2,0,0]=4 15499 B15R1.34 COCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000747528_100015189358 [0,1,0,1,0,0|2,0,0]=4 15500 B15R1.34 NCCCCCCCOC1COC(=O)O1 34a_100011996573_100000032252 [0,1,0,1,0,0|2,0,0]=4 15501 B15R1.34 NCCCCCCOCC1CNC(=O)O1 34a_100000686447_100000181169 [0,1,0,1,0,0|2,0,0]=4 15502 B15R1.34 NCCCCCCOCC1COC(=O)O1 34a_100000686447_100000073702 [0,1,0,1,0,0|2,0,0]=4 15503 B15R1.34 O=C1CCC(C1)OCCCCCCCO 34a_100012614533_100000760002 [0,1,0,1,0,0|2,0,0]=4 15504 B15R1.34 O=C1CCC(N1)COCCCCCCF 34a_100000737831_100015922095 [0,1,0,1,0,0|2,0,0]=4 15505 B15R1.34 O=C1CCC(N1)COCCCCCCO 34a_100000737831_100000766143 [0,1,0,1,0,0|2,0,0]=4 15506 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 2230a_100015423886_100015922095 [0,1,0,1,0,0|2,0,0]=4 15507 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 34a_100015423886_100015922095 [0,1,0,1,0,0|2,0,0]=4 15508 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 2230a_100015423886_100000766143 [0,1,0,1,0,0|2,0,0]=4 15509 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 34a_100015423886_100000766143 [0,1,0,1,0,0|2,0,0]=4 15510 B15R1.34 O=C1CC[C@H](N1)CNCCCCCCO 2230a_100000686447_100015189358 [0,1,0,1,0,0|2,0,0]=4 15511 B15R1.34 O=C1CC[C@H](N1)COCCCCCCBr 7a_100011215345_100015189358 [0,1,0,1,0,0|2,0,0]=4 15512 B15R1.34 O=C1CC[C@H](N1)COCCCCCCCl 7a_100000766143_100015189358 [0,1,0,1,0,0|2,0,0]=4 15513 B15R1.34 O=C1CC[C@H](N1)COCCCCCCF 7a_100000732779_100015189358 [0,1,0,1,0,0|2,0,0]=4 15514 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015189358_100015922095 [0,1,0,1,0,0|2,0,0]=4 15515 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015922095_100015189358 [0,1,0,1,0,0|2,0,0]=4 15516 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100000766143_100015189358 [0,1,0,1,0,0|2,0,0]=4 15517 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100015189358_100000766143 [0,1,0,1,0,0|2,0,0]=4 15518 B15R1.34 O=C1NCC(O1)CNCCCCCCO 2230a_100000686447_100000181169 [0,1,0,1,0,0|2,0,0]=4 15519 B15R1.34 O=C1NCC(O1)CNCCCCCCO 34a_100000686447_100000181169 [0,1,0,1,0,0|2,0,0]=4 15520 B15R1.34 O=C1NCC(O1)COCCCCCCBr 34a_100011215345_100000181169 [0,1,0,1,0,0|2,0,0]=4 15521 B15R1.34 O=C1NCC(O1)COCCCCCCBr 7a_100011215345_100000181169 [0,1,0,1,0,0|2,0,0]=4 15522 B15R1.34 O=C1NCC(O1)COCCCCCCCl 34a_100000766143_100000181169 [0,1,0,1,0,0|2,0,0]=4 15523 B15R1.34 O=C1NCC(O1)COCCCCCCCl 7a_100000766143_100000181169 [0,1,0,1,0,0|2,0,0]=4 15524 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100000732779_100000181169 [0,1,0,1,0,0|2,0,0]=4 15525 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100011315639_100015922095 [0,1,0,1,0,0|2,0,0]=4 15526 B15R1.34 O=C1NCC(O1)COCCCCCCF 7a_100000732779_100000181169 [0,1,0,1,0,0|2,0,0]=4 15527 B15R1.34 O=C1NCC(O1)COCCCCCCO 34a_100011315639_100000766143 [0,1,0,1,0,0|2,0,0]=4 15528 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100000181169_100015922095 [0,1,0,1,0,0|2,0,0]=4 15529 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100015922095_100000181169 [0,1,0,1,0,0|2,0,0]=4 15530 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000181169_100000766143 [0,1,0,1,0,0|2,0,0]=4 15531 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000766143_100000181169 [0,1,0,1,0,0|2,0,0]=4 15532 B15R1.34 O=C1OCC(O1)CNCCCCCCO 34a_100000686447_100000073702 [0,1,0,1,0,0|2,0,0]=4 15533 B15R1.34 O=C1OCC(O1)COCCCCCCBr 34a_100011215345_100000073702 [0,1,0,1,0,0|2,0,0]=4 15534 B15R1.34 O=C1OCC(O1)COCCCCCCCl 34a_100000766143_100000073702 [0,1,0,1,0,0|2,0,0]=4 15535 B15R1.34 O=C1OCC(O1)COCCCCCCF 34a_100000732779_100000073702 [0,1,0,1,0,0|2,0,0]=4 15536 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100000073702_100015922095 [0,1,0,1,0,0|2,0,0]=4 15537 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100015922095_100000073702 [0,1,0,1,0,0|2,0,0]=4 15538 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000073702_100000766143 [0,1,0,1,0,0|2,0,0]=4 15539 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000766143_100000073702 [0,1,0,1,0,0|2,0,0]=4 15540 B15R1.34 O=C1OCC(O1)NCCCCCCCO 34a_100011996573_100000032252 [0,1,0,1,0,0|2,0,0]=4 15541 B15R1.34 O=C1OCC(O1)OCCCCCCCBr 34a_100000760002_100000032252 [0,1,0,1,0,0|2,0,0]=4 15542 B15R1.34 O=C1OCC(O1)SCCCCCCCO 62a_100000760002_100000032252 [0,1,0,1,0,0|2,0,0]=4 15543 B15R1.85 CCC1CCCCC1NCCC(=O)NC 269862a_100000738227_100000757040 [0,1,0,1,0,0|2,0,0]=4 15544 B15R1.85 CCC1CCCCC1NCCC(=O)NC 270004a_100000738227_100000757040 [0,1,0,1,0,0|2,0,0]=4 15545 B15R1.85 CCC1CCCCC1OCCC(=O)NC 34a_100000210738_100012179268 [0,1,0,1,0,0|2,0,0]=4 15546 B15R1.85 CCC1CCCCC1OCCC(=O)NC 7a_100000210738_100000737683 [0,1,0,1,0,0|2,0,0]=4 15547 B15R1.85 CCC1CCCCC1OCCC(=O)OC 34a_100000210738_100000742370 [0,1,0,1,0,0|1,0,0]=3 15548 B15R1.85 CCC1CCCCC1OCCC(=O)OC 7a_100000210738_100000204255 [0,1,0,1,0,0|1,0,0]=3 15549 B15R1.85 CCC1CCCCN1CCCC(=O)NC 2230a_100000210034_100000741757 [0,1,0,1,0,0|2,0,0]=4 15550 B15R1.85 CCC1CCCCN1CCCC(=O)NC 269982a_100000210034_100000741757 [0,1,0,1,0,0|2,0,0]=4 15551 B15R1.85 CCC1CCCCN1CCCC(=O)NC 34a_100000210034_100000741757 [0,1,0,1,0,0|2,0,0]=4 15552 B15R1.85 CCC1CCCCN1CCCC(=O)OC 2230a_100000210034_100011218270 [0,1,0,1,0,0|1,0,0]=3 15553 B15R1.85 CCC1CCCCN1CCCC(=O)OC 269982a_100000210034_100011218270 [0,1,0,1,0,0|1,0,0]=3 15554 B15R1.85 CCC1CCCCN1CCCC(=O)OC 34a_100000210034_100000742333 [0,1,0,1,0,0|1,0,0]=3 15555 B15R1.85 CCC1CCCCN1CCNC(=O)CO 240690a_100000755458_100000210174 [0,1,0,1,0,0|2,0,0]=4 15556 B15R1.85 CCC1CCCCN1CCNC(=O)CO 527a_100000755458_100000210174 [0,1,0,1,0,0|2,0,0]=4 15557 B15R1.85 CCN1CCCCC1CNCC(=O)OC 2230a_100000754393_100000747449 [0,1,0,1,0,0|2,0,0]=4 15558 B15R1.85 CCN1CCCCC1CNCC(=O)OC 34a_100000754393_100000747449 [0,1,0,1,0,0|2,0,0]=4 15559 B15R1.85 CCN1CCCCC1COCC(=O)OC 34a_100000225091_100000747449 [0,1,0,1,0,0|2,0,0]=4 15560 B15R1.85 CCN1CCCCC1COCC(=O)OC 7a_100000225091_100000747449 [0,1,0,1,0,0|2,0,0]=4 15561 B15R1.85 CC[C@H]1COCCN1CCCC(=O)OC 2230a_100016988097_100011218270 [0,1,0,1,0,0|2,0,0]=4 15562 B15R1.85 CC[C@H]1COCCN1CCCC(=O)OC 269982a_100016988097_100011218270 [0,1,0,1,0,0|2,0,0]=4 15563 B15R1.85 CC[C@H]1COCCN1CCCC(=O)OC 34a_100016988097_100000742333 [0,1,0,1,0,0|2,0,0]=4 15564 B15R1.85 CN[C@@H]1CCCC[C@H]1OCCC(=O)OC 34a_100000708425_100000742370 [0,1,0,1,0,0|2,0,0]=4 15565 B15R1.85 COC(=O)CCCN1CCCCC1CO 2230a_100000210821_100011218270 [0,1,0,1,0,0|2,0,0]=4 15566 B15R1.85 COC(=O)CCCN1CCCCC1CO 269982a_100000210821_100011218270 [0,1,0,1,0,0|2,0,0]=4 15567 B15R1.85 COC(=O)CCCN1CCCCC1CO 34a_100000210821_100000742333 [0,1,0,1,0,0|2,0,0]=4 15568 B15R1.85 COC(=O)CCNC1CCCCC1OC 34a_100011208099_100000742370 [0,1,0,1,0,0|2,0,0]=4 15569 B15R1.85 COC(=O)CCOC1CCCCC1CN 34a_100011216029_100000742370 [0,1,0,1,0,0|2,0,0]=4 15570 B15R1.85 COC(=O)CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000742370 [0,1,0,1,0,0|2,0,0]=4 15571 B15R1.85 COC(=O)CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000204255 [0,1,0,1,0,0|2,0,0]=4 15572 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210314 [0,1,0,1,0,0|2,0,0]=4 15573 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210757 [0,1,0,1,0,0|2,0,0]=4 15574 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210314 [0,1,0,1,0,0|2,0,0]=4 15575 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210314 [0,1,0,1,0,0|1,0,0]=3 15576 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210757 [0,1,0,1,0,0|1,0,0]=3 15577 B15R1.251 CCCCCCN1CCSC1C(=O)OC 2230a_100015296106_100000210314 [0,1,0,1,0,0|2,0,0]=4 15578 B15R1.251 CCCCCCN1CCSC1C(=O)OC 269982a_100015296106_100000210757 [0,1,0,1,0,0|2,0,0]=4 15579 B15R1.251 CCCCCCN1CSCC1C(=O)OC 269982a_200000724679_100000210757 [0,1,0,1,0,0|2,0,0]=4 15580 B15R1.251 CCCCCOC1CCCC1C(=O)OC 34a_200000081814_100000718602 [0,1,0,1,0,0|1,0,0]=3 15581 B15R1.251 CCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210326 [0,1,0,1,0,0|1,0,0]=3 15582 B15R1.251 CCCCOCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011995733 [0,1,0,1,0,0|2,0,0]=4 15583 B15R1.251 CCCCOCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100011995733 [0,1,0,1,0,0|2,0,0]=4 15584 B15R1.251 CCCOCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011215938 [0,1,0,1,0,0|2,0,0]=4 15585 B15R1.251 CCCOCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100011215938 [0,1,0,1,0,0|2,0,0]=4 15586 B15R1.251 CCOCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100012232248 [0,1,0,1,0,0|2,0,0]=4 15587 B15R1.251 CCOCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100012232248 [0,1,0,1,0,0|2,0,0]=4 15588 B15R1.251 CCOCCOC1CCCC1C(=O)OC 34a_200000081814_100000210147 [0,1,0,1,0,0|2,0,0]=4 15589 B15R1.251 CCOCCOC1CCCC1C(=O)OC 7a_200000081814_100011215890 [0,1,0,1,0,0|2,0,0]=4 15590 B15R1.251 CCSCCOC1CCCC1C(=O)OC 34a_200000081814_100000757381 [0,1,0,1,0,0|2,0,0]=4 15591 B15R1.251 CCSCCOC1CCCC1C(=O)OC 7a_200000081814_100000757381 [0,1,0,1,0,0|2,0,0]=4 15592 B15R1.251 COC(=O)C1CCCC1OCCCCF 34a_200000081814_100000729493 [0,1,0,1,0,0|2,0,0]=4 15593 B15R1.251 COC(=O)C1CCCC1OCCCCF 7a_200000081814_100000729493 [0,1,0,1,0,0|2,0,0]=4 15594 B15R1.251 COC(=O)C1CCCC1OCCCCO 34a_200000081814_100011216708 [0,1,0,1,0,0|2,0,0]=4 15595 B15R1.251 COC(=O)C1CCCC1OCCCCO 7a_200000081814_100000210776 [0,1,0,1,0,0|2,0,0]=4 15596 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCCF 2230a_100000752040_100000729378 [0,1,0,1,0,0|2,0,0]=4 15597 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCCF 269982a_100000752040_100000729378 [0,1,0,1,0,0|2,0,0]=4 15598 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCCO 2230a_100000752040_100000746330 [0,1,0,1,0,0|2,0,0]=4 15599 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCCO 269982a_100000752040_100000746330 [0,1,0,1,0,0|2,0,0]=4 15600 B15R1.251 COCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000730899 [0,1,0,1,0,0|2,0,0]=4 15601 B15R1.251 COCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000730899 [0,1,0,1,0,0|2,0,0]=4 15602 B15R1.251 COCCCOC1CCCC1C(=O)OC 34a_200000081814_100000740836 [0,1,0,1,0,0|2,0,0]=4 15603 B15R1.251 COCCCOC1CCCC1C(=O)OC 7a_200000081814_100000740836 [0,1,0,1,0,0|2,0,0]=4 15604 B15R1.273 CCCC1CCCCC1NCC(=O)NC 269862a_100000693194_100011218038 [0,1,0,1,0,0|2,0,0]=4 15605 B15R1.273 CCCC1CCCCC1NCC(=O)NC 270004a_100000693194_100011218038 [0,1,0,1,0,0|2,0,0]=4 15606 B15R1.273 CCCC1CCCCC1OCC(=O)CC 7a_100011217265_100000747405 [0,1,0,1,0,0|2,0,0]=4 15607 B15R1.273 CCCC1CCCCC1OCC(=O)NC 34a_100011217265_100000183359 [0,1,0,1,0,0|2,0,0]=4 15608 B15R1.273 CCCC1CCCCC1OCC(=O)NC 7a_100011217265_100000183359 [0,1,0,1,0,0|2,0,0]=4 15609 B15R1.273 CCCC1CCCCC1OCC(=O)OC 34a_100011217265_100000747449 [0,1,0,1,0,0|1,0,0]=3 15610 B15R1.273 CCCC1CCCCC1OCC(=O)OC 7a_100011217265_100000747449 [0,1,0,1,0,0|1,0,0]=3 15611 B15R1.273 CCCC1CCCCN1CCC(=O)NC 2230a_100000701414_100000737683 [0,1,0,1,0,0|2,0,0]=4 15612 B15R1.273 CCCC1CCCCN1CCC(=O)NC 269982a_100000701414_100000737683 [0,1,0,1,0,0|2,0,0]=4 15613 B15R1.273 CCCC1CCCCN1CCC(=O)NC 34a_100000701414_100012179268 [0,1,0,1,0,0|2,0,0]=4 15614 B15R1.273 CCCC1CCCCN1CCC(=O)OC 2230a_100000701414_100000204255 [0,1,0,1,0,0|1,0,0]=3 15615 B15R1.273 CCCC1CCCCN1CCC(=O)OC 269982a_100000701414_100000204255 [0,1,0,1,0,0|1,0,0]=3 15616 B15R1.273 CCCC1CCCCN1CCC(=O)OC 34a_100000701414_100000742370 [0,1,0,1,0,0|1,0,0]=3 15617 B15R1.273 CCCC1COCCN1CCC(=O)OC 2230a_102495339903_100000204255 [0,1,0,1,0,0|2,0,0]=4 15618 B15R1.273 CCCC1COCCN1CCC(=O)OC 269982a_102495339903_100000204255 [0,1,0,1,0,0|2,0,0]=4 15619 B15R1.273 CCCC1COCCN1CCC(=O)OC 34a_102495339903_100000742370 [0,1,0,1,0,0|2,0,0]=4 15620 B15R1.273 COC(=O)CCN1CCCCC1CCO 2230a_100000211664_100000204255 [0,1,0,1,0,0|2,0,0]=4 15621 B15R1.273 COC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000204255 [0,1,0,1,0,0|2,0,0]=4 15622 B15R1.273 COC(=O)CCN1CCCCC1CCO 34a_100000211664_100000742370 [0,1,0,1,0,0|2,0,0]=4 15623 B15R1.273 COCC1CCCCN1CCC(=O)OC 2230a_100015184032_100000204255 [0,1,0,1,0,0|2,0,0]=4 15624 B15R1.273 COCC1CCCCN1CCC(=O)OC 269982a_100015184032_100000204255 [0,1,0,1,0,0|2,0,0]=4 15625 B15R1.273 COCC1CCCCN1CCC(=O)OC 34a_100015184032_100000742370 [0,1,0,1,0,0|2,0,0]=4 15626 B15R1.605 CCCC1CCCC1NCCC(=O)NC 269862a_100000738227_100000723119 [0,1,0,1,0,0|2,0,0]=4 15627 B15R1.605 CCCC1CCCC1NCCC(=O)NC 270004a_100000738227_100000723119 [0,1,0,1,0,0|2,0,0]=4 15628 B15R1.605 CCCN1CCCC1COCC(=O)OC 34a_200000694710_100000747449 [0,1,0,1,0,0|2,0,0]=4 15629 B15R1.605 CCCN1CCCC1COCC(=O)OC 7a_200000694710_100000747449 [0,1,0,1,0,0|2,0,0]=4 15630 B15R1.605 COC[C@@H]1CCCN1CCCC(=O)OC 2230a_100020646714_100011218270 [0,1,0,1,0,0|2,0,0]=4 15631 B15R1.605 COC[C@@H]1CCCN1CCCC(=O)OC 269982a_100020646714_100011218270 [0,1,0,1,0,0|2,0,0]=4 15632 B15R1.605 COC[C@@H]1CCCN1CCCC(=O)OC 34a_100020646714_100000742333 [0,1,0,1,0,0|2,0,0]=4 15633 B15R1.853 CCCCC1CCCC1NCC(=O)NC 269862a_100000693194_100000750825 [0,1,0,1,0,0|2,0,0]=4 15634 B15R1.853 CCCCC1CCCC1NCC(=O)NC 270004a_100000693194_100000750825 [0,1,0,1,0,0|2,0,0]=4 15635 B15R1.962 CCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210202 [0,1,0,1,0,0|2,0,0]=4 15636 B15R1.962 CCC(=O)COCCCC1CCCCC1 34a_100000725409_100011713725 [0,1,0,1,0,0|2,0,0]=4 15637 B15R1.962 CCC(=O)COCCCC1CCCCC1 7a_100000198086_100000747405 [0,1,0,1,0,0|2,0,0]=4 15638 B15R1.962 CCC(=O)CSCCCC1CCCCC1 62a_100000747405_100011713725 [0,1,0,1,0,0|2,0,0]=4 15639 B15R1.962 CCC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747405 [0,1,0,1,0,0|2,0,0]=4 15640 B15R1.962 CNC(=O)CCCCCN1CCCCC1 11a_106832991635_100012051570 [0,1,0,1,0,0|2,0,0]=4 15641 B15R1.962 CNC(=O)CCCCCN1CCCCC1 240690a_100102657272_100012051570 [0,1,0,1,0,0|2,0,0]=4 15642 B15R1.962 CNC(=O)CCCNCC1CCCCC1 2230a_100000210473_100000741757 [0,1,0,1,0,0|2,0,0]=4 15643 B15R1.962 CNC(=O)CCCNCC1CCCCC1 2230a_100000740002_100000211423 [0,1,0,1,0,0|2,0,0]=4 15644 B15R1.962 CNC(=O)CCCNCC1CCCCC1 269862a_100000740002_100000211278 [0,1,0,1,0,0|2,0,0]=4 15645 B15R1.962 CNC(=O)CCCNCC1CCCCC1 34a_100000210473_100000741757 [0,1,0,1,0,0|2,0,0]=4 15646 B15R1.962 CNC(=O)CCCNCC1CCCCC1 34a_100000740002_100000211423 [0,1,0,1,0,0|2,0,0]=4 15647 B15R1.962 CNC(=O)CCCOCC1CCCCC1 34a_100000212181_100000741757 [0,1,0,1,0,0|2,0,0]=4 15648 B15R1.962 CNC(=O)CCCOCC1CCCCC1 7a_100000212181_100000741757 [0,1,0,1,0,0|2,0,0]=4 15649 B15R1.962 CNC(=O)CCCSCC1CCCCC1 62a_100000211423_100000741757 [0,1,0,1,0,0|2,0,0]=4 15650 B15R1.962 CNC(=O)CCCSCC1CCCCC1 62a_100000741757_100000211423 [0,1,0,1,0,0|2,0,0]=4 15651 B15R1.962 CNC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000737683 [0,1,0,1,0,0|2,0,0]=4 15652 B15R1.962 CNC(=O)CCNCCC1CCCCC1 2230a_100000738227_100012355289 [0,1,0,1,0,0|2,0,0]=4 15653 B15R1.962 CNC(=O)CCNCCC1CCCCC1 270004a_100000738227_100011713444 [0,1,0,1,0,0|2,0,0]=4 15654 B15R1.962 CNC(=O)CCNCCC1CCCCC1 34a_100000738074_100012179268 [0,1,0,1,0,0|2,0,0]=4 15655 B15R1.962 CNC(=O)CCNCCC1CCCCC1 34a_100000738227_100011209188 [0,1,0,1,0,0|2,0,0]=4 15656 B15R1.962 CNC(=O)CCOCCC1CCCCC1 34a_100000754576_100011209188 [0,1,0,1,0,0|2,0,0]=4 15657 B15R1.962 CNC(=O)CCOCCC1CCCCC1 34a_100011217863_100012179268 [0,1,0,1,0,0|2,0,0]=4 15658 B15R1.962 CNC(=O)CCOCCC1CCCCC1 7a_100011217863_100000737683 [0,1,0,1,0,0|2,0,0]=4 15659 B15R1.962 CNC(=O)CCSCCC1CCCCC1 62a_100000737683_100012355289 [0,1,0,1,0,0|2,0,0]=4 15660 B15R1.962 CNC(=O)CCSCCC1CCCCC1 62a_100012355289_100000737683 [0,1,0,1,0,0|2,0,0]=4 15661 B15R1.962 CNC(=O)CNCCCC1CCCCC1 2230a_100000693194_100011713725 [0,1,0,1,0,0|2,0,0]=4 15662 B15R1.962 CNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183359 [0,1,0,1,0,0|2,0,0]=4 15663 B15R1.962 CNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183359 [0,1,0,1,0,0|2,0,0]=4 15664 B15R1.962 CNC(=O)COCCCC1CCCCC1 34a_100000198086_100000183359 [0,1,0,1,0,0|2,0,0]=4 15665 B15R1.962 CNC(=O)COCCCC1CCCCC1 34a_100000750040_100011713725 [0,1,0,1,0,0|2,0,0]=4 15666 B15R1.962 CNC(=O)COCCCC1CCCCC1 7a_100000198086_100000183359 [0,1,0,1,0,0|2,0,0]=4 15667 B15R1.962 CNC(=O)CSCCCC1CCCCC1 62a_100000183359_100011713725 [0,1,0,1,0,0|2,0,0]=4 15668 B15R1.962 CNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183359 [0,1,0,1,0,0|2,0,0]=4 15669 B15R1.962 COC(=O)CCCCCN1CCCOC1 2230a_100000131196_100009816466 [0,1,0,1,0,0|2,0,0]=4 15670 B15R1.962 COC(=O)CCCCCN1CCCOC1 269982a_100000131196_100009816466 [0,1,0,1,0,0|2,0,0]=4 15671 B15R1.962 COC(=O)CCCCCN1CCCOC1 34a_100000131196_100009816466 [0,1,0,1,0,0|2,0,0]=4 15672 B15R1.962 COC(=O)CCCCCN1CCOCC1 2230a_100015191051_100009816466 [0,1,0,1,0,0|2,0,0]=4 15673 B15R1.962 COC(=O)CCCCCN1CCOCC1 269982a_100015191051_100009816466 [0,1,0,1,0,0|2,0,0]=4 15674 B15R1.962 COC(=O)CCCCCN1CCOCC1 34a_100015191051_100009816466 [0,1,0,1,0,0|2,0,0]=4 15675 B15R1.962 COC(=O)CCCCCN1CCSCC1 2230a_100000737611_100009816466 [0,1,0,1,0,0|2,0,0]=4 15676 B15R1.962 COC(=O)CCCCCN1CCSCC1 269982a_100000737611_100009816466 [0,1,0,1,0,0|2,0,0]=4 15677 B15R1.962 COC(=O)CCCCNC1CCCCC1 2230a_100000182618_100000204269 [0,1,0,1,0,0|1,0,0]=3 15678 B15R1.962 COC(=O)CCCCNC1CCCCC1 34a_100000182618_100000204269 [0,1,0,1,0,0|1,0,0]=3 15679 B15R1.962 COC(=O)CCCCNC1CCCOC1 2230a_100000719290_100000204269 [0,1,0,1,0,0|2,0,0]=4 15680 B15R1.962 COC(=O)CCCCNC1CCCOC1 34a_100000719290_100000204269 [0,1,0,1,0,0|2,0,0]=4 15681 B15R1.962 COC(=O)CCCCNC1CCOCC1 2230a_100000741149_100000204269 [0,1,0,1,0,0|2,0,0]=4 15682 B15R1.962 COC(=O)CCCCNC1CCOCC1 34a_100000741149_100000204269 [0,1,0,1,0,0|2,0,0]=4 15683 B15R1.962 COC(=O)CCCCNC1CCSCC1 2230a_100000748639_100000204269 [0,1,0,1,0,0|2,0,0]=4 15684 B15R1.962 COC(=O)CCCCNC1CCSCC1 34a_100000748639_100000204269 [0,1,0,1,0,0|2,0,0]=4 15685 B15R1.962 COC(=O)CCCCOC1CCCCC1 34a_100000059025_100000210327 [0,1,0,1,0,0|1,0,0]=3 15686 B15R1.962 COC(=O)CCCCOC1CCCCC1 34a_100000210231_100000204269 [0,1,0,1,0,0|1,0,0]=3 15687 B15R1.962 COC(=O)CCCCOC1CCCCC1 7a_100000059025_100000210327 [0,1,0,1,0,0|1,0,0]=3 15688 B15R1.962 COC(=O)CCCCOC1CCCCC1 7a_100000210231_100000204269 [0,1,0,1,0,0|1,0,0]=3 15689 B15R1.962 COC(=O)CCCCOC1CCCCO1 34a_100000033831_100000204269 [0,1,0,1,0,0|2,0,0]=4 15690 B15R1.962 COC(=O)CCCCOC1CCCOC1 34a_100000059025_100000693364 [0,1,0,1,0,0|2,0,0]=4 15691 B15R1.962 COC(=O)CCCCOC1CCCOC1 34a_100000754041_100000204269 [0,1,0,1,0,0|2,0,0]=4 15692 B15R1.962 COC(=O)CCCCOC1CCCOC1 7a_100000059025_100000693364 [0,1,0,1,0,0|2,0,0]=4 15693 B15R1.962 COC(=O)CCCCOC1CCCSC1 7a_100015962668_100000204269 [0,1,0,1,0,0|2,0,0]=4 15694 B15R1.962 COC(=O)CCCCOC1CCOCC1 34a_100000744328_100000204269 [0,1,0,1,0,0|2,0,0]=4 15695 B15R1.962 COC(=O)CCCCOC1CCOCC1 7a_100000059025_100000686592 [0,1,0,1,0,0|2,0,0]=4 15696 B15R1.962 COC(=O)CCCCOC1CCSCC1 34a_100000059025_100000069128 [0,1,0,1,0,0|2,0,0]=4 15697 B15R1.962 COC(=O)CCCCOC1CCSCC1 34a_100000731022_100000204269 [0,1,0,1,0,0|2,0,0]=4 15698 B15R1.962 COC(=O)CCCCOC1CCSCC1 7a_100000059025_100011500858 [0,1,0,1,0,0|2,0,0]=4 15699 B15R1.962 COC(=O)CCCCOC1CCSCC1 7a_100000731022_100000204269 [0,1,0,1,0,0|2,0,0]=4 15700 B15R1.962 COC(=O)CCCCSC1CCCCC1 62a_100000204269_100000210327 [0,1,0,1,0,0|1,0,0]=3 15701 B15R1.962 COC(=O)CCCCSC1CCCCC1 62a_100000210327_100000204269 [0,1,0,1,0,0|1,0,0]=3 15702 B15R1.962 COC(=O)CCCCSC1CCCOC1 62a_100000204269_100000693364 [0,1,0,1,0,0|2,0,0]=4 15703 B15R1.962 COC(=O)CCCCSC1CCOCC1 62a_100000204269_100011324220 [0,1,0,1,0,0|2,0,0]=4 15704 B15R1.962 COC(=O)CCCCSC1CCSCC1 62a_100000204269_100000069128 [0,1,0,1,0,0|2,0,0]=4 15705 B15R1.962 COC(=O)CCCNCC1CCCCC1 2230a_100000210473_100011218270 [0,1,0,1,0,0|1,0,0]=3 15706 B15R1.962 COC(=O)CCCNCC1CCCCC1 34a_100000210473_100000742333 [0,1,0,1,0,0|1,0,0]=3 15707 B15R1.962 COC(=O)CCCNCC1CCCCO1 2230a_100000174945_100011218270 [0,1,0,1,0,0|2,0,0]=4 15708 B15R1.962 COC(=O)CCCNCC1CCCCO1 34a_100000174945_100000742333 [0,1,0,1,0,0|2,0,0]=4 15709 B15R1.962 COC(=O)CCCNCC1CCCOC1 2230a_100000720124_100011218270 [0,1,0,1,0,0|2,0,0]=4 15710 B15R1.962 COC(=O)CCCNCC1CCCOC1 34a_100000720124_100000742333 [0,1,0,1,0,0|2,0,0]=4 15711 B15R1.962 COC(=O)CCCNCC1CCOCC1 2230a_100000746373_100011218270 [0,1,0,1,0,0|2,0,0]=4 15712 B15R1.962 COC(=O)CCCNCC1CCOCC1 34a_100000746373_100000742333 [0,1,0,1,0,0|2,0,0]=4 15713 B15R1.962 COC(=O)CCCNCC1CCSCC1 2230a_100015188806_100011218270 [0,1,0,1,0,0|2,0,0]=4 15714 B15R1.962 COC(=O)CCCNCC1CCSCC1 34a_100015188806_100000742333 [0,1,0,1,0,0|2,0,0]=4 15715 B15R1.962 COC(=O)CCCOCC1CCCCC1 34a_100000212181_100000742333 [0,1,0,1,0,0|1,0,0]=3 15716 B15R1.962 COC(=O)CCCOCC1CCCCC1 7a_100000212181_100011218270 [0,1,0,1,0,0|1,0,0]=3 15717 B15R1.962 COC(=O)CCCOCC1CCCCN1 34a_100000210821_100000742333 [0,1,0,1,0,0|2,0,0]=4 15718 B15R1.962 COC(=O)CCCOCC1CCCCO1 34a_100000211370_100000742333 [0,1,0,1,0,0|2,0,0]=4 15719 B15R1.962 COC(=O)CCCOCC1CCCCO1 7a_100000211370_100011218270 [0,1,0,1,0,0|2,0,0]=4 15720 B15R1.962 COC(=O)CCCOCC1CCCNC1 34a_100000211344_100000742333 [0,1,0,1,0,0|2,0,0]=4 15721 B15R1.962 COC(=O)CCCOCC1CCCOC1 34a_100000741520_100000742333 [0,1,0,1,0,0|2,0,0]=4 15722 B15R1.962 COC(=O)CCCOCC1CCNCC1 34a_100000738675_100000742333 [0,1,0,1,0,0|2,0,0]=4 15723 B15R1.962 COC(=O)CCCOCC1CCOCC1 34a_100000749013_100000742333 [0,1,0,1,0,0|2,0,0]=4 15724 B15R1.962 COC(=O)CCCOCC1CCSCC1 34a_100000070558_100000742333 [0,1,0,1,0,0|2,0,0]=4 15725 B15R1.962 COC(=O)CCCOCC1CCSCC1 7a_100000070558_100011218270 [0,1,0,1,0,0|2,0,0]=4 15726 B15R1.962 COC(=O)CCCSCC1CCCCC1 62a_100000211423_100011218270 [0,1,0,1,0,0|1,0,0]=3 15727 B15R1.962 COC(=O)CCCSCC1CCCCC1 62a_100011218270_100000211423 [0,1,0,1,0,0|1,0,0]=3 15728 B15R1.962 COC(=O)CCCSCC1CCCCO1 62a_100000211543_100011218270 [0,1,0,1,0,0|2,0,0]=4 15729 B15R1.962 COC(=O)CCCSCC1CCCCO1 62a_100011218270_100000211543 [0,1,0,1,0,0|2,0,0]=4 15730 B15R1.962 COC(=O)CCCSCC1CCCOC1 62a_100000741521_100011218270 [0,1,0,1,0,0|2,0,0]=4 15731 B15R1.962 COC(=O)CCCSCC1CCCOC1 62a_100011218270_100000741521 [0,1,0,1,0,0|2,0,0]=4 15732 B15R1.962 COC(=O)CCCSCC1CCOCC1 62a_100000754603_100011218270 [0,1,0,1,0,0|2,0,0]=4 15733 B15R1.962 COC(=O)CCCSCC1CCOCC1 62a_100011218270_100000749018 [0,1,0,1,0,0|2,0,0]=4 15734 B15R1.962 COC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000204255 [0,1,0,1,0,0|1,0,0]=3 15735 B15R1.962 COC(=O)CCNCCC1CCCCC1 34a_100000738074_100000742370 [0,1,0,1,0,0|1,0,0]=3 15736 B15R1.962 COC(=O)CCNCCC1CCCCO1 2230a_100015183643_100000204255 [0,1,0,1,0,0|2,0,0]=4 15737 B15R1.962 COC(=O)CCNCCC1CCCCO1 34a_100015183643_100000742370 [0,1,0,1,0,0|2,0,0]=4 15738 B15R1.962 COC(=O)CCNCCC1CCOCC1 2230a_100000755988_100000204255 [0,1,0,1,0,0|2,0,0]=4 15739 B15R1.962 COC(=O)CCNCCC1CCOCC1 34a_100000755988_100000742370 [0,1,0,1,0,0|2,0,0]=4 15740 B15R1.962 COC(=O)CCOCCC1CCCCC1 34a_100011217863_100000742370 [0,1,0,1,0,0|1,0,0]=3 15741 B15R1.962 COC(=O)CCOCCC1CCCCC1 7a_100011217863_100000204255 [0,1,0,1,0,0|1,0,0]=3 15742 B15R1.962 COC(=O)CCOCCC1CCCCN1 34a_100000211664_100000742370 [0,1,0,1,0,0|2,0,0]=4 15743 B15R1.962 COC(=O)CCOCCC1CCCNC1 34a_100000752241_100000742370 [0,1,0,1,0,0|2,0,0]=4 15744 B15R1.962 COC(=O)CCOCCC1CCNCC1 34a_100015190746_100000742370 [0,1,0,1,0,0|2,0,0]=4 15745 B15R1.962 COC(=O)CCOCCC1CCOCC1 34a_100011933979_100000742370 [0,1,0,1,0,0|2,0,0]=4 15746 B15R1.962 COC(=O)CCOCCC1CCOCC1 7a_100011933979_100000204255 [0,1,0,1,0,0|2,0,0]=4 15747 B15R1.962 COC(=O)CCSCCC1CCCCC1 62a_100000204255_100012355289 [0,1,0,1,0,0|1,0,0]=3 15748 B15R1.962 COC(=O)CCSCCC1CCCCC1 62a_100012355289_100000204255 [0,1,0,1,0,0|1,0,0]=3 15749 B15R1.962 COC(=O)CCSCCC1CCOCC1 62a_100000204255_100011934994 [0,1,0,1,0,0|2,0,0]=4 15750 B15R1.962 COC(=O)CCSCCC1CCOCC1 62a_100011934994_100000204255 [0,1,0,1,0,0|2,0,0]=4 15751 B15R1.962 COC(=O)CCSCCN1CCCCC1 62a_100000204255_100000739454 [0,1,0,1,0,0|2,0,0]=4 15752 B15R1.962 COC(=O)CCSCCN1CCCCC1 62a_100000739454_100000204255 [0,1,0,1,0,0|2,0,0]=4 15753 B15R1.962 COC(=O)CCSCOC1CCCCC1 62a_100000204255_100011935260 [0,1,0,1,0,0|2,0,0]=4 15754 B15R1.962 COC(=O)CCSCOC1CCCCC1 62a_100011935260_100000204255 [0,1,0,1,0,0|2,0,0]=4 15755 B15R1.962 COC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747449 [0,1,0,1,0,0|1,0,0]=3 15756 B15R1.962 COC(=O)CNCCCC1CCCCC1 34a_100011211642_100000747449 [0,1,0,1,0,0|1,0,0]=3 15757 B15R1.962 COC(=O)CNCCOC1CCCCC1 34a_100015206981_100000747449 [0,1,0,1,0,0|2,0,0]=4 15758 B15R1.962 COC(=O)COCCCC1CCCCC1 34a_100000198086_100000747449 [0,1,0,1,0,0|1,0,0]=3 15759 B15R1.962 COC(=O)COCCCC1CCCCC1 7a_100000198086_100000747449 [0,1,0,1,0,0|1,0,0]=3 15760 B15R1.962 COC(=O)COCCCC1CCCCN1 34a_100011934581_100000747449 [0,1,0,1,0,0|2,0,0]=4 15761 B15R1.962 COC(=O)COCCCC1CCCNC1 34a_100150707839_100000747449 [0,1,0,1,0,0|2,0,0]=4 15762 B15R1.962 COC(=O)COCCCC1CCNCC1 34a_100016988962_100000747449 [0,1,0,1,0,0|2,0,0]=4 15763 B15R1.962 COC(=O)COCCCN1CCCCC1 34a_100000212458_100000747449 [0,1,0,1,0,0|2,0,0]=4 15764 B15R1.962 COC(=O)COCCNC1CCCCC1 2230a_100000182618_100000090808 [0,1,0,1,0,0|2,0,0]=4 15765 B15R1.962 COC(=O)COCCNC1CCCCC1 34a_100000182618_100000090808 [0,1,0,1,0,0|2,0,0]=4 15766 B15R1.962 COC(=O)COCCNC1CCCCC1 34a_100000200466_100000747449 [0,1,0,1,0,0|2,0,0]=4 15767 B15R1.962 COC(=O)COCCOC1CCCCC1 34a_100000210231_100000090808 [0,1,0,1,0,0|2,0,0]=4 15768 B15R1.962 COC(=O)COCCOC1CCCCC1 34a_100011249652_100000747449 [0,1,0,1,0,0|2,0,0]=4 15769 B15R1.962 COC(=O)COCCOC1CCCCC1 7a_100000210231_100000090808 [0,1,0,1,0,0|2,0,0]=4 15770 B15R1.962 COC(=O)COCCOC1CCCCC1 7a_100011249652_100000747449 [0,1,0,1,0,0|2,0,0]=4 15771 B15R1.962 COC(=O)COCCSC1CCCCC1 62a_100000090808_100000210327 [0,1,0,1,0,0|2,0,0]=4 15772 B15R1.962 COC(=O)COCCSC1CCCCC1 62a_100000210327_100000090808 [0,1,0,1,0,0|2,0,0]=4 15773 B15R1.962 COC(=O)CSCCCC1CCCCC1 62a_100000747449_100011713725 [0,1,0,1,0,0|1,0,0]=3 15774 B15R1.962 COC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747449 [0,1,0,1,0,0|1,0,0]=3 15775 B15R1.962 COC(=O)CSCCCN1CCCCC1 62a_100000747449_100000007876 [0,1,0,1,0,0|2,0,0]=4 15776 B15R1.962 COC(=O)CSCCCN1CCCCC1 62a_100132302099_100000747449 [0,1,0,1,0,0|2,0,0]=4 15777 B15R1.962 COC(=O)CSCCOC1CCCCC1 62a_100000747449_100011211530 [0,1,0,1,0,0|2,0,0]=4 15778 B15R1.962 COC(=O)CSCCOC1CCCCC1 62a_100011211530_100000747449 [0,1,0,1,0,0|2,0,0]=4 15779 B15R1.962 COC(=O)NCCOCC1CCCCC1 34a_100000757965_100000211423 [0,1,0,1,0,0|2,0,0]=4 15780 B15R1.962 COC(=O)OCCOCC1CCCCC1 34a_100010262106_100000211423 [0,1,0,1,0,0|2,0,0]=4 15781 B15R1.962 COC(=O)OCSCCC1CCCCC1 62a_100012355289_100000139417 [0,1,0,1,0,0|2,0,0]=4 15782 B15R1.962 NC(=NO)CCOCCC1CCCCC1 34a_100000749954_100011209188 [0,1,0,1,0,0|2,0,0]=4 15783 B15R1.962 NNC(=O)CCCOCC1CCCCC1 34a_100000211488_100000211423 [0,1,0,1,0,0|2,0,0]=4 15784 B15R1.962 O=C(CF)CCCCCN1CCCCC1 1458a_100012051570_100015361967 [0,1,0,1,0,0|2,0,0]=4 15785 B15R1.962 O=C(CO)CCCCOC1CCCCO1 1458a_100000210174_100000031530 [0,1,0,1,0,0|2,0,0]=4 15786 B15R1.962 O=C(CO)NCCCCN1CCCCC1 240690a_200011207366_100000210174 [0,1,0,1,0,0|2,0,0]=4 15787 B15R1.962 O=C(CO)NCCCOC1CCCCC1 240690a_100000205933_100000210174 [0,1,0,1,0,0|2,0,0]=4 15788 B15R1.962 O=C(CO)NCCCOC1CCCCC1 527a_100000205933_100000210174 [0,1,0,1,0,0|2,0,0]=4 15789 B15R1.975 CNC(=O)CCCNCCC1CCCC1 2230a_100000739158_100000741757 [0,1,0,1,0,0|2,0,0]=4 15790 B15R1.975 CNC(=O)CCCNCCC1CCCC1 2230a_100000740002_100000760354 [0,1,0,1,0,0|2,0,0]=4 15791 B15R1.975 CNC(=O)CCCNCCC1CCCC1 34a_100000739158_100000741757 [0,1,0,1,0,0|2,0,0]=4 15792 B15R1.975 CNC(=O)CCCNCCC1CCCC1 34a_100000740002_100000760354 [0,1,0,1,0,0|2,0,0]=4 15793 B15R1.975 CNC(=O)CCCOCCC1CCCC1 34a_100000749090_100000741757 [0,1,0,1,0,0|2,0,0]=4 15794 B15R1.975 CNC(=O)CCCOCCC1CCCC1 7a_100000749090_100000741757 [0,1,0,1,0,0|2,0,0]=4 15795 B15R1.975 CNC(=O)CCCSCCC1CCCC1 62a_100000741757_100000760354 [0,1,0,1,0,0|2,0,0]=4 15796 B15R1.975 CNC(=O)CCCSCCC1CCCC1 62a_100000760354_100000741757 [0,1,0,1,0,0|2,0,0]=4 15797 B15R1.975 CNC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000737683 [0,1,0,1,0,0|2,0,0]=4 15798 B15R1.975 CNC(=O)CCNCCCC1CCCC1 2230a_100000738227_100011713738 [0,1,0,1,0,0|2,0,0]=4 15799 B15R1.975 CNC(=O)CCNCCCC1CCCC1 34a_100000736752_100012179268 [0,1,0,1,0,0|2,0,0]=4 15800 B15R1.975 CNC(=O)CCNCCCC1CCCC1 34a_100000738227_100011713738 [0,1,0,1,0,0|2,0,0]=4 15801 B15R1.975 CNC(=O)CCOCCCC1CCCC1 34a_100000754576_100011713738 [0,1,0,1,0,0|2,0,0]=4 15802 B15R1.975 CNC(=O)CCOCCCC1CCCC1 34a_100011215328_100012179268 [0,1,0,1,0,0|2,0,0]=4 15803 B15R1.975 CNC(=O)CCOCCCC1CCCC1 7a_100011215328_100000737683 [0,1,0,1,0,0|2,0,0]=4 15804 B15R1.975 CNC(=O)CCSCCCC1CCCC1 62a_100000737683_100011713738 [0,1,0,1,0,0|2,0,0]=4 15805 B15R1.975 CNC(=O)CCSCCCC1CCCC1 62a_100011713738_100000737683 [0,1,0,1,0,0|2,0,0]=4 15806 B15R1.975 COC(=O)CCCCCCN1CCCC1 2230a_100000188435_100009815986 [0,1,0,1,0,0|1,0,0]=3 15807 B15R1.975 COC(=O)CCCCCCN1CCCC1 269982a_100000188435_100009815986 [0,1,0,1,0,0|1,0,0]=3 15808 B15R1.975 COC(=O)CCCCCCN1CCSC1 2230a_100011215254_100009815986 [0,1,0,1,0,0|2,0,0]=4 15809 B15R1.975 COC(=O)CCCCCCN1CCSC1 269982a_100011215254_100009815986 [0,1,0,1,0,0|2,0,0]=4 15810 B15R1.975 COC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009816466 [0,1,0,1,0,0|1,0,0]=3 15811 B15R1.975 COC(=O)CCCCCNC1CCCC1 34a_100000211070_100009816466 [0,1,0,1,0,0|1,0,0]=3 15812 B15R1.975 COC(=O)CCCCCN[C@@H]1CCOC1 2230a_200015188469_100009816466 [0,1,0,1,0,0|2,0,0]=4 15813 B15R1.975 COC(=O)CCCCCN[C@H]1CCOC1 2230a_100015188467_100009816466 [0,1,0,1,0,0|2,0,0]=4 15814 B15R1.975 COC(=O)CCCCCN[C@H]1CCOC1 34a_100015188467_100009816466 [0,1,0,1,0,0|2,0,0]=4 15815 B15R1.975 COC(=O)CCCCCOC1CCCC1 34a_100000074720_100000179811 [0,1,0,1,0,0|1,0,0]=3 15816 B15R1.975 COC(=O)CCCCCOC1CCCC1 34a_100000210269_100009816466 [0,1,0,1,0,0|1,0,0]=3 15817 B15R1.975 COC(=O)CCCCCOC1CCCC1 7a_100000074720_100000179811 [0,1,0,1,0,0|1,0,0]=3 15818 B15R1.975 COC(=O)CCCCCOC1CCCC1 7a_100000210269_100009816466 [0,1,0,1,0,0|1,0,0]=3 15819 B15R1.975 COC(=O)CCCCCOC1CCCO1 34a_100000085407_100009816466 [0,1,0,1,0,0|2,0,0]=4 15820 B15R1.975 COC(=O)CCCCCOC1CCOC1 34a_100000074720_100000690089 [0,1,0,1,0,0|2,0,0]=4 15821 B15R1.975 COC(=O)CCCCCOC1CCOC1 7a_100000074720_100000731011 [0,1,0,1,0,0|2,0,0]=4 15822 B15R1.975 COC(=O)CCCCCOC1CCSC1 7a_100011232664_100009816466 [0,1,0,1,0,0|2,0,0]=4 15823 B15R1.975 COC(=O)CCCCCO[C@H]1CCOC1 34a_100000717292_100009816466 [0,1,0,1,0,0|2,0,0]=4 15824 B15R1.975 COC(=O)CCCCCSC1CCCC1 62a_100009816466_100000179811 [0,1,0,1,0,0|1,0,0]=3 15825 B15R1.975 COC(=O)CCCCCSC1CCCC1 62a_100011217020_100009816466 [0,1,0,1,0,0|1,0,0]=3 15826 B15R1.975 COC(=O)CCCCCSC1CCOC1 62a_100009816466_100000690089 [0,1,0,1,0,0|2,0,0]=4 15827 B15R1.975 COC(=O)CCCCNCC1CCCC1 2230a_100000737975_100000204269 [0,1,0,1,0,0|1,0,0]=3 15828 B15R1.975 COC(=O)CCCCNCC1CCCC1 34a_100000737975_100000204269 [0,1,0,1,0,0|1,0,0]=3 15829 B15R1.975 COC(=O)CCCCNCC1CCOC1 2230a_100000737293_100000204269 [0,1,0,1,0,0|2,0,0]=4 15830 B15R1.975 COC(=O)CCCCNCC1CCOC1 34a_100000737293_100000204269 [0,1,0,1,0,0|2,0,0]=4 15831 B15R1.975 COC(=O)CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000204269 [0,1,0,1,0,0|2,0,0]=4 15832 B15R1.975 COC(=O)CCCCNC[C@@H]1CCCO1 34a_100020590478_100000204269 [0,1,0,1,0,0|2,0,0]=4 15833 B15R1.975 COC(=O)CCCCOCC1CCCC1 34a_100000059025_100000740388 [0,1,0,1,0,0|1,0,0]=3 15834 B15R1.975 COC(=O)CCCCOCC1CCCC1 34a_100000742336_100000204269 [0,1,0,1,0,0|1,0,0]=3 15835 B15R1.975 COC(=O)CCCCOCC1CCCC1 7a_100000059025_100000740388 [0,1,0,1,0,0|1,0,0]=3 15836 B15R1.975 COC(=O)CCCCOCC1CCCC1 7a_100000742336_100000204269 [0,1,0,1,0,0|1,0,0]=3 15837 B15R1.975 COC(=O)CCCCOCC1CCCO1 34a_100000210270_100000204269 [0,1,0,1,0,0|2,0,0]=4 15838 B15R1.975 COC(=O)CCCCOCC1CCCO1 7a_100000059025_100000203698 [0,1,0,1,0,0|2,0,0]=4 15839 B15R1.975 COC(=O)CCCCOCC1CCCO1 7a_100000210270_100000204269 [0,1,0,1,0,0|2,0,0]=4 15840 B15R1.975 COC(=O)CCCCOCC1CCNC1 34a_100000748654_100000204269 [0,1,0,1,0,0|2,0,0]=4 15841 B15R1.975 COC(=O)CCCCOCC1CCOC1 34a_100000059025_100011261433 [0,1,0,1,0,0|2,0,0]=4 15842 B15R1.975 COC(=O)CCCCOCC1CCOC1 34a_100000740260_100000204269 [0,1,0,1,0,0|2,0,0]=4 15843 B15R1.975 COC(=O)CCCCOCC1CCOC1 7a_100000059025_100000702531 [0,1,0,1,0,0|2,0,0]=4 15844 B15R1.975 COC(=O)CCCCOC[C@H]1CCCN1 34a_100000745186_100000204269 [0,1,0,1,0,0|2,0,0]=4 15845 B15R1.975 COC(=O)CCCCSCC1CCCC1 62a_100000204269_100000740388 [0,1,0,1,0,0|1,0,0]=3 15846 B15R1.975 COC(=O)CCCCSCC1CCCC1 62a_100000740388_100000204269 [0,1,0,1,0,0|1,0,0]=3 15847 B15R1.975 COC(=O)CCCCSCC1CCCO1 62a_100000203698_100000204269 [0,1,0,1,0,0|2,0,0]=4 15848 B15R1.975 COC(=O)CCCCSCC1CCCO1 62a_100000204269_100000203698 [0,1,0,1,0,0|2,0,0]=4 15849 B15R1.975 COC(=O)CCCCSCC1CCOC1 62a_100000204269_100000702531 [0,1,0,1,0,0|2,0,0]=4 15850 B15R1.975 COC(=O)CCCCSCC1CCOC1 62a_100000702531_100000204269 [0,1,0,1,0,0|2,0,0]=4 15851 B15R1.975 COC(=O)CCCNCCC1CCCC1 2230a_100000739158_100011218270 [0,1,0,1,0,0|1,0,0]=3 15852 B15R1.975 COC(=O)CCCNCCC1CCCC1 34a_100000739158_100000742333 [0,1,0,1,0,0|1,0,0]=3 15853 B15R1.975 COC(=O)CCCOCCC1CCCC1 34a_100000749090_100000742333 [0,1,0,1,0,0|1,0,0]=3 15854 B15R1.975 COC(=O)CCCOCCC1CCCC1 7a_100000749090_100011218270 [0,1,0,1,0,0|1,0,0]=3 15855 B15R1.975 COC(=O)CCCOCCC1CCNC1 34a_100016987287_100000742333 [0,1,0,1,0,0|2,0,0]=4 15856 B15R1.975 COC(=O)CCCOCCC1CCOC1 34a_100011879284_100000742333 [0,1,0,1,0,0|2,0,0]=4 15857 B15R1.975 COC(=O)CCCSCCC1CCCC1 62a_100000760354_100011218270 [0,1,0,1,0,0|1,0,0]=3 15858 B15R1.975 COC(=O)CCCSCCC1CCCC1 62a_100011218270_100000760354 [0,1,0,1,0,0|1,0,0]=3 15859 B15R1.975 COC(=O)CCCSCCN1CCCC1 62a_100000700749_100011218270 [0,1,0,1,0,0|2,0,0]=4 15860 B15R1.975 COC(=O)CCCSCCN1CCCC1 62a_100011218270_100000004467 [0,1,0,1,0,0|2,0,0]=4 15861 B15R1.975 COC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000204255 [0,1,0,1,0,0|1,0,0]=3 15862 B15R1.975 COC(=O)CCNCCCC1CCCC1 34a_100000736752_100000742370 [0,1,0,1,0,0|1,0,0]=3 15863 B15R1.975 COC(=O)CCNCCOC1CCCC1 34a_100000741755_100000742370 [0,1,0,1,0,0|2,0,0]=4 15864 B15R1.975 COC(=O)CCOCCCC1CCCC1 34a_100011215328_100000742370 [0,1,0,1,0,0|1,0,0]=3 15865 B15R1.975 COC(=O)CCOCCCC1CCCC1 7a_100011215328_100000204255 [0,1,0,1,0,0|1,0,0]=3 15866 B15R1.975 COC(=O)CCOCCNC1CCCC1 34a_200000200444_100000742370 [0,1,0,1,0,0|2,0,0]=4 15867 B15R1.975 COC(=O)CCOCCOC1CCCC1 34a_100000738311_100000742370 [0,1,0,1,0,0|2,0,0]=4 15868 B15R1.975 COC(=O)CCOCCOC1CCCC1 7a_100000738311_100000204255 [0,1,0,1,0,0|2,0,0]=4 15869 B15R1.975 COC(=O)CCSCCCC1CCCC1 62a_100000204255_100011713738 [0,1,0,1,0,0|1,0,0]=3 15870 B15R1.975 COC(=O)CCSCCCC1CCCC1 62a_100011713738_100000204255 [0,1,0,1,0,0|1,0,0]=3 15871 B15R1.975 COC(=O)CCSCCCN1CCCC1 62a_100000204255_100011445909 [0,1,0,1,0,0|2,0,0]=4 15872 B15R1.975 COC(=O)CCSCCCN1CCCC1 62a_100016991639_100000204255 [0,1,0,1,0,0|2,0,0]=4 15873 B15R1.975 COC(=O)CNCCCOC1CCCC1 34a_100000747560_100000747449 [0,1,0,1,0,0|2,0,0]=4 15874 B15R1.975 COC(=O)COCCNCC1CCCC1 2230a_100000737975_100000090808 [0,1,0,1,0,0|2,0,0]=4 15875 B15R1.975 COC(=O)COCCNCC1CCCC1 34a_100000737975_100000090808 [0,1,0,1,0,0|2,0,0]=4 15876 B15R1.975 COC(=O)COCCOCC1CCCC1 34a_100000742336_100000090808 [0,1,0,1,0,0|2,0,0]=4 15877 B15R1.975 COC(=O)COCCOCC1CCCC1 7a_100000742336_100000090808 [0,1,0,1,0,0|2,0,0]=4 15878 B15R1.975 COC(=O)COCCSCC1CCCC1 62a_100000090808_100000740388 [0,1,0,1,0,0|2,0,0]=4 15879 B15R1.975 COC(=O)COCCSCC1CCCC1 62a_100000740388_100000090808 [0,1,0,1,0,0|2,0,0]=4 15880 B15R1.975 COC(=O)NCCOCCC1CCCC1 34a_100000757965_100000760354 [0,1,0,1,0,0|2,0,0]=4 15881 B15R1.975 COC(=O)OCCOCCC1CCCC1 34a_100010262106_100000760354 [0,1,0,1,0,0|2,0,0]=4 15882 B15R1.975 COC(=O)OCSCCCC1CCCC1 62a_100011713738_100000139417 [0,1,0,1,0,0|2,0,0]=4 15883 B15R1.975 NC(=NO)CCOCCCC1CCCC1 34a_100000749954_100011713738 [0,1,0,1,0,0|2,0,0]=4 15884 B15R1.975 NNC(=O)CCCOCCC1CCCC1 34a_100000211488_100000760354 [0,1,0,1,0,0|2,0,0]=4 15885 B15R1.975 O=C(CO)NCCCCCN1CCCC1 240690a_100011491779_100000210174 [0,1,0,1,0,0|2,0,0]=4 15886 B15R1.1052 CCCCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210211 [0,1,0,1,0,0|2,0,0]=4 15887 B15R1.1052 CCCCN1CCOCC1CC(=O)OC 34a_100000731486_100000210210 [0,1,0,1,0,0|2,0,0]=4 15888 B15R1.1052 COC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000747449 [0,1,0,1,0,0|2,0,0]=4 15889 B15R1.1052 COC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000747449 [0,1,0,1,0,0|2,0,0]=4 15890 B15R1.1052 COC(=O)CN1CCCCC1CCCO 34a_100011934581_100000747449 [0,1,0,1,0,0|2,0,0]=4 15891 B15R1.1052 COCCC1CCCCN1CC(=O)OC 2230a_100015186528_100000747449 [0,1,0,1,0,0|2,0,0]=4 15892 B15R1.1052 COCCC1CCCCN1CC(=O)OC 269982a_100015186528_100000747449 [0,1,0,1,0,0|2,0,0]=4 15893 B15R1.1052 COCCC1CCCCN1CC(=O)OC 34a_100015186528_100000747449 [0,1,0,1,0,0|2,0,0]=4 15894 B15R1.1091 CC1CCCCN1CCCNC(=O)CO 240690a_100000212276_100000210174 [0,1,0,1,0,0|2,0,0]=4 15895 B15R1.1091 CC1CCCCN1CCCNC(=O)CO 527a_100000212276_100000210174 [0,1,0,1,0,0|2,0,0]=4 15896 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 2230a_100000211402_100000741757 [0,1,0,1,0,0|2,0,0]=4 15897 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 269862a_100000740002_100000210921 [0,1,0,1,0,0|2,0,0]=4 15898 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 270004a_100000740002_100000210921 [0,1,0,1,0,0|2,0,0]=4 15899 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 34a_100000211402_100000741757 [0,1,0,1,0,0|2,0,0]=4 15900 B15R1.1091 CNC(=O)CCCOC1CCCCC1C 34a_100000211207_100000741757 [0,1,0,1,0,0|2,0,0]=4 15901 B15R1.1091 CNC(=O)CCCOC1CCCCC1C 7a_100000211207_100000741757 [0,1,0,1,0,0|2,0,0]=4 15902 B15R1.1091 COC(=O)CCCCN1CCCCC1C 2230a_100000211376_100000204269 [0,1,0,1,0,0|1,0,0]=3 15903 B15R1.1091 COC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000204269 [0,1,0,1,0,0|1,0,0]=3 15904 B15R1.1091 COC(=O)CCCCN1CCCCC1C 34a_100000211376_100000204269 [0,1,0,1,0,0|1,0,0]=3 15905 B15R1.1091 COC(=O)CCCCN1CCOC[C@@H]1C 2230a_100009815349_100000204269 [0,1,0,1,0,0|2,0,0]=4 15906 B15R1.1091 COC(=O)CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000204269 [0,1,0,1,0,0|2,0,0]=4 15907 B15R1.1091 COC(=O)CCCCN1CCOC[C@@H]1C 34a_100009815349_100000204269 [0,1,0,1,0,0|2,0,0]=4 15908 B15R1.1091 COC(=O)CCCNC1CCCCC1C 2230a_100000211402_100011218270 [0,1,0,1,0,0|1,0,0]=3 15909 B15R1.1091 COC(=O)CCCNC1CCCCC1C 34a_100000211402_100000742333 [0,1,0,1,0,0|1,0,0]=3 15910 B15R1.1091 COC(=O)CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011218270 [0,1,0,1,0,0|2,0,0]=4 15911 B15R1.1091 COC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000742333 [0,1,0,1,0,0|2,0,0]=4 15912 B15R1.1091 COC(=O)CCCOC1CCCCC1C 34a_100000211207_100000742333 [0,1,0,1,0,0|1,0,0]=3 15913 B15R1.1091 COC(=O)CCCOC1CCCCC1C 7a_100000211207_100011218270 [0,1,0,1,0,0|1,0,0]=3 15914 B15R1.1091 COC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100000742333 [0,1,0,1,0,0|2,0,0]=4 15915 B15R1.1091 COC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100011218270 [0,1,0,1,0,0|2,0,0]=4 15916 B15R1.1091 COC(=O)CCCOC1CCNCC1C 34a_100011998114_100000742333 [0,1,0,1,0,0|2,0,0]=4 15917 B15R1.1091 COC(=O)CCCOC1CNCCC1C 34a_100000696640_100000742333 [0,1,0,1,0,0|2,0,0]=4 15918 B15R1.1091 COC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000742333 [0,1,0,1,0,0|2,0,0]=4 15919 B15R1.1091 COC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011218270 [0,1,0,1,0,0|2,0,0]=4 15920 B15R1.1091 COC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000742333 [0,1,0,1,0,0|2,0,0]=4 15921 B15R1.1091 COC(=O)CCCSC1CCCCC1F 62a_100011218270_100015423560 [0,1,0,1,0,0|2,0,0]=4 15922 B15R1.1091 COC(=O)CCCSC1CCCCC1F 62a_100015423560_100011218270 [0,1,0,1,0,0|2,0,0]=4 15923 B15R1.1091 COC(=O)CCCSC1CCCCC1O 62a_100000038908_100011218270 [0,1,0,1,0,0|2,0,0]=4 15924 B15R1.1091 COC(=O)CCCSC1CCCCC1O 62a_100011218270_100000038908 [0,1,0,1,0,0|2,0,0]=4 15925 B15R1.1091 COC(=O)CCNCC1CCCCC1O 34a_100011216029_100000742370 [0,1,0,1,0,0|2,0,0]=4 15926 B15R1.1091 COC(=O)CCNCC1CCCCN1C 34a_100011228421_100000742370 [0,1,0,1,0,0|2,0,0]=4 15927 B15R1.1091 COC(=O)CCOCC1CCCCN1C 34a_100000225079_100000742370 [0,1,0,1,0,0|2,0,0]=4 15928 B15R1.1091 COC(=O)CCSCC1CCCCN1C 62a_100000204255_100015185383 [0,1,0,1,0,0|2,0,0]=4 15929 B15R1.1091 COC(=O)CCSCC1CCCCN1C 62a_100015185383_100000204255 [0,1,0,1,0,0|2,0,0]=4 15930 B15R1.1091 COC(=O)CNCCN1CCCCC1C 2230a_100000739827_100000747449 [0,1,0,1,0,0|2,0,0]=4 15931 B15R1.1091 COC(=O)CNCCN1CCCCC1C 34a_100000739827_100000747449 [0,1,0,1,0,0|2,0,0]=4 15932 B15R1.1091 COC(=O)COCCN1CCCCC1C 2230a_100000211376_100000090808 [0,1,0,1,0,0|2,0,0]=4 15933 B15R1.1091 COC(=O)COCCN1CCCCC1C 34a_100000211376_100000090808 [0,1,0,1,0,0|2,0,0]=4 15934 B15R1.1091 COC(=O)COCCN1CCCCC1C 34a_100011305533_100000747449 [0,1,0,1,0,0|2,0,0]=4 15935 B15R1.1091 COC(=O)CSCCC1CCCCN1C 62a_100000211948_100000747449 [0,1,0,1,0,0|2,0,0]=4 15936 B15R1.1091 COC(=O)CSCCC1CCCCN1C 62a_100000747449_100000211948 [0,1,0,1,0,0|2,0,0]=4 15937 B15R1.1102 COC(=O)CCCCCCCN1CCC1 269982a_100000754969_100010004213 [0,1,0,1,0,0|1,0,0]=3 15938 B15R1.1102 COC(=O)CCCCCCNC1CCC1 2230a_100000749019_100009815986 [0,1,0,1,0,0|1,0,0]=3 15939 B15R1.1102 COC(=O)CCCCCCNC1CCC1 34a_100000749019_100009815986 [0,1,0,1,0,0|1,0,0]=3 15940 B15R1.1102 COC(=O)CCCCCCNC1COC1 2230a_100016991112_100009815986 [0,1,0,1,0,0|2,0,0]=4 15941 B15R1.1102 COC(=O)CCCCCCOC1CCC1 34a_100000748187_100009815986 [0,1,0,1,0,0|1,0,0]=3 15942 B15R1.1102 COC(=O)CCCCCCOC1CCC1 34a_100009863599_100000749161 [0,1,0,1,0,0|1,0,0]=3 15943 B15R1.1102 COC(=O)CCCCCCOC1COC1 34a_100009863599_100009818527 [0,1,0,1,0,0|2,0,0]=4 15944 B15R1.1102 COC(=O)CCCCCCOC1COC1 7a_100009863599_100009818527 [0,1,0,1,0,0|2,0,0]=4 15945 B15R1.1102 COC(=O)CCCCCCOC1CSC1 7a_100000072292_100009815986 [0,1,0,1,0,0|2,0,0]=4 15946 B15R1.1102 COC(=O)CCCCCCSC1CCC1 62a_100009815986_100000749161 [0,1,0,1,0,0|1,0,0]=3 15947 B15R1.1102 COC(=O)CCCCCCSC1COC1 62a_100009815986_100009818527 [0,1,0,1,0,0|2,0,0]=4 15948 B15R1.1102 COC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009816466 [0,1,0,1,0,0|1,0,0]=3 15949 B15R1.1102 COC(=O)CCCCCNCC1CCC1 34a_100000738700_100009816466 [0,1,0,1,0,0|1,0,0]=3 15950 B15R1.1102 COC(=O)CCCCCNCC1COC1 2230a_100015281925_100009816466 [0,1,0,1,0,0|2,0,0]=4 15951 B15R1.1102 COC(=O)CCCCCNCC1COC1 34a_100015281925_100009816466 [0,1,0,1,0,0|2,0,0]=4 15952 B15R1.1102 COC(=O)CCCCCNC[C@@H]1CCO1 2230a_100020831831_100009816466 [0,1,0,1,0,0|2,0,0]=4 15953 B15R1.1102 COC(=O)CCCCCNC[C@@H]1CCO1 34a_100020831831_100009816466 [0,1,0,1,0,0|2,0,0]=4 15954 B15R1.1102 COC(=O)CCCCCOCC1CCC1 34a_100000074720_100000763275 [0,1,0,1,0,0|1,0,0]=3 15955 B15R1.1102 COC(=O)CCCCCOCC1CCC1 34a_100000760304_100009816466 [0,1,0,1,0,0|1,0,0]=3 15956 B15R1.1102 COC(=O)CCCCCOCC1CCC1 7a_100000074720_100000763275 [0,1,0,1,0,0|1,0,0]=3 15957 B15R1.1102 COC(=O)CCCCCOCC1CCO1 34a_100000039022_100009816466 [0,1,0,1,0,0|2,0,0]=4 15958 B15R1.1102 COC(=O)CCCCCOCC1CCO1 34a_100000074720_100000103362 [0,1,0,1,0,0|2,0,0]=4 15959 B15R1.1102 COC(=O)CCCCCOCC1CCO1 7a_100000074720_100000103362 [0,1,0,1,0,0|2,0,0]=4 15960 B15R1.1102 COC(=O)CCCCCOCC1CNC1 34a_100016987283_100009816466 [0,1,0,1,0,0|2,0,0]=4 15961 B15R1.1102 COC(=O)CCCCCOCC1COC1 34a_100000060846_100009816466 [0,1,0,1,0,0|2,0,0]=4 15962 B15R1.1102 COC(=O)CCCCCOCC1COC1 34a_100000074720_100010264016 [0,1,0,1,0,0|2,0,0]=4 15963 B15R1.1102 COC(=O)CCCCCOCC1COC1 7a_100000074720_100010264016 [0,1,0,1,0,0|2,0,0]=4 15964 B15R1.1102 COC(=O)CCCCCSCC1CCC1 62a_100000763275_100009816466 [0,1,0,1,0,0|1,0,0]=3 15965 B15R1.1102 COC(=O)CCCCCSCC1CCC1 62a_100009816466_100000763275 [0,1,0,1,0,0|1,0,0]=3 15966 B15R1.1102 COC(=O)CCCCCSCC1CCO1 62a_100000103362_100009816466 [0,1,0,1,0,0|2,0,0]=4 15967 B15R1.1102 COC(=O)CCCCCSCC1CCO1 62a_100009816466_100000103362 [0,1,0,1,0,0|2,0,0]=4 15968 B15R1.1102 COC(=O)CCCCCSCC1COC1 62a_100009816466_100010264016 [0,1,0,1,0,0|2,0,0]=4 15969 B15R1.1102 COC(=O)CCCCCSCC1COC1 62a_100010264016_100009816466 [0,1,0,1,0,0|2,0,0]=4 15970 B15R1.1102 COC(=O)CCCCOCCC1COC1 34a_100009855314_100000204269 [0,1,0,1,0,0|2,0,0]=4 15971 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210326 [0,1,0,1,0,0|2,0,0]=4 15972 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210215 [0,1,0,1,0,0|2,0,0]=4 15973 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 34a_100011209383_100000718602 [0,1,0,1,0,0|2,0,0]=4 15974 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210326 [0,1,0,1,0,0|1,0,0]=3 15975 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210215 [0,1,0,1,0,0|1,0,0]=3 15976 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 34a_100000734855_100000718602 [0,1,0,1,0,0|1,0,0]=3 15977 B15R1.1191 CCCCCN1CCOCC1C(=O)OC 2230a_100000765174_100000210326 [0,1,0,1,0,0|2,0,0]=4 15978 B15R1.1191 CCCCCN1CCOCC1C(=O)OC 34a_100000765174_100000718602 [0,1,0,1,0,0|2,0,0]=4 15979 B15R1.1191 CCCCOC1CCNCC1C(=O)OC 34a_200103168510_100000210210 [0,1,0,1,0,0|2,0,0]=4 15980 B15R1.1191 CCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210210 [0,1,0,1,0,0|1,0,0]=3 15981 B15R1.1191 CCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210211 [0,1,0,1,0,0|1,0,0]=3 15982 B15R1.1191 CCOCCN1CCCCC1C(=O)OC 2230a_100000734855_100011215890 [0,1,0,1,0,0|2,0,0]=4 15983 B15R1.1191 CCOCCN1CCCCC1C(=O)OC 269982a_100000734855_100011215890 [0,1,0,1,0,0|2,0,0]=4 15984 B15R1.1191 CCOCCN1CCCCC1C(=O)OC 34a_100000734855_100000210147 [0,1,0,1,0,0|2,0,0]=4 15985 B15R1.1191 CCSCCN1CCCCC1C(=O)OC 2230a_100000734855_100000757381 [0,1,0,1,0,0|2,0,0]=4 15986 B15R1.1191 CCSCCN1CCCCC1C(=O)OC 269982a_100000734855_100000757381 [0,1,0,1,0,0|2,0,0]=4 15987 B15R1.1191 CCSCCN1CCCCC1C(=O)OC 34a_100000734855_100000757381 [0,1,0,1,0,0|2,0,0]=4 15988 B15R1.1191 COC(=O)C1CCCCN1CCCCF 2230a_100000734855_100000729493 [0,1,0,1,0,0|2,0,0]=4 15989 B15R1.1191 COC(=O)C1CCCCN1CCCCF 269982a_100000734855_100000729493 [0,1,0,1,0,0|2,0,0]=4 15990 B15R1.1191 COC(=O)C1CCCCN1CCCCF 34a_100000734855_100000729493 [0,1,0,1,0,0|2,0,0]=4 15991 B15R1.1191 COC(=O)C1CCCCN1CCCCO 2230a_100000734855_100000210776 [0,1,0,1,0,0|2,0,0]=4 15992 B15R1.1191 COC(=O)C1CCCCN1CCCCO 269982a_100000734855_100000210776 [0,1,0,1,0,0|2,0,0]=4 15993 B15R1.1191 COC(=O)C1CCCCN1CCCCO 34a_100000734855_100011216708 [0,1,0,1,0,0|2,0,0]=4 15994 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCCF 34a_100015709673_100011934791 [0,1,0,1,0,0|2,0,0]=4 15995 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCCF 7a_100015709673_100011934791 [0,1,0,1,0,0|2,0,0]=4 15996 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCCO 34a_100015709673_100000230001 [0,1,0,1,0,0|2,0,0]=4 15997 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCCO 7a_100015709673_100011215043 [0,1,0,1,0,0|2,0,0]=4 15998 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCSC 34a_100015709673_100000212216 [0,1,0,1,0,0|2,0,0]=4 15999 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCSC 7a_100015709673_100000212216 [0,1,0,1,0,0|2,0,0]=4 16000 B15R1.1191 COCCCC1CCCCN1C(=O)CO 240690a_100011804088_100000210174 [0,1,0,1,0,0|2,0,0]=4 16001 B15R1.1191 COCCCC1CCCCN1C(=O)CO 527a_100011804088_100000210174 [0,1,0,1,0,0|2,0,0]=4 16002 B15R1.1191 COCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000740836 [0,1,0,1,0,0|2,0,0]=4 16003 B15R1.1191 COCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000740836 [0,1,0,1,0,0|2,0,0]=4 16004 B15R1.1191 COCCCN1CCCCC1C(=O)OC 34a_100000734855_100000740836 [0,1,0,1,0,0|2,0,0]=4 16005 B15R1.1191 COCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100011201679 [0,1,0,1,0,0|2,0,0]=4 16006 B15R1.1191 COCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000233755 [0,1,0,1,0,0|2,0,0]=4 16007 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210326 [0,1,0,1,0,0|1,0,0]=3 16008 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210215 [0,1,0,1,0,0|1,0,0]=3 16009 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000718602 [0,1,0,1,0,0|1,0,0]=3 16010 B15R1.1203 CCOCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100011215890 [0,1,0,1,0,0|2,0,0]=4 16011 B15R1.1203 CCOCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100011215890 [0,1,0,1,0,0|2,0,0]=4 16012 B15R1.1203 CCOCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210147 [0,1,0,1,0,0|2,0,0]=4 16013 B15R1.1203 CCSCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000757381 [0,1,0,1,0,0|2,0,0]=4 16014 B15R1.1203 CCSCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000757381 [0,1,0,1,0,0|2,0,0]=4 16015 B15R1.1203 CCSCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000757381 [0,1,0,1,0,0|2,0,0]=4 16016 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCF 2230a_100025726698_100000729493 [0,1,0,1,0,0|2,0,0]=4 16017 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCF 269982a_100025726698_100000729493 [0,1,0,1,0,0|2,0,0]=4 16018 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCF 34a_100025726698_100000729493 [0,1,0,1,0,0|2,0,0]=4 16019 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCO 2230a_100025726698_100000210776 [0,1,0,1,0,0|2,0,0]=4 16020 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCO 269982a_100025726698_100000210776 [0,1,0,1,0,0|2,0,0]=4 16021 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCO 34a_100025726698_100011216708 [0,1,0,1,0,0|2,0,0]=4 16022 B15R1.1203 COCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000740836 [0,1,0,1,0,0|2,0,0]=4 16023 B15R1.1203 COCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000740836 [0,1,0,1,0,0|2,0,0]=4 16024 B15R1.1203 COCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000740836 [0,1,0,1,0,0|2,0,0]=4 16025 B15R1.3174 COC(=O)CCCCCN1CCC[C@@H]1C 2230a_100020605311_100009816466 [0,1,0,1,0,0|1,0,0]=3 16026 B15R1.3174 COC(=O)CCCCCN1CCC[C@@H]1C 269982a_100020605311_100009816466 [0,1,0,1,0,0|1,0,0]=3 16027 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 2230a_100015189458_100009816466 [0,1,0,1,0,0|1,0,0]=3 16028 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 269982a_100015189458_100009816466 [0,1,0,1,0,0|1,0,0]=3 16029 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 34a_100015189458_100009816466 [0,1,0,1,0,0|1,0,0]=3 16030 B15R1.3174 COC(=O)CCCCCN1CCSC1C 2230a_200011216479_100009816466 [0,1,0,1,0,0|2,0,0]=4 16031 B15R1.3174 COC(=O)CCCCCN1CCSC1C 269982a_200011216479_100009816466 [0,1,0,1,0,0|2,0,0]=4 16032 B15R1.3174 COC(=O)CCCCCN1CCSC1C 34a_200011216479_100009816466 [0,1,0,1,0,0|2,0,0]=4 16033 B15R1.3174 COC(=O)CCCCOC1CCCC1C 34a_100011216460_100000204269 [0,1,0,1,0,0|1,0,0]=3 16034 B15R1.3174 COC(=O)CCCCOC1CCCC1C 7a_100011216460_100000204269 [0,1,0,1,0,0|1,0,0]=3 16035 B15R1.3174 COC(=O)CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000204269 [0,1,0,1,0,0|2,0,0]=4 16036 B15R1.3174 COC(=O)CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000204269 [0,1,0,1,0,0|2,0,0]=4 16037 B15R1.3174 COC(=O)CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000204269 [0,1,0,1,0,0|2,0,0]=4 16038 B15R1.3174 COC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_100000204269_200016002552 [0,1,0,1,0,0|2,0,0]=4 16039 B15R1.3174 COC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000204269 [0,1,0,1,0,0|2,0,0]=4 16040 B15R1.3174 COC(=O)CCCOCC1CCCN1C 34a_100000743107_100000742333 [0,1,0,1,0,0|2,0,0]=4 16041 B15R1.3174 COC(=O)CCOCCC1CCCN1C 34a_100011215177_100000742370 [0,1,0,1,0,0|2,0,0]=4 16042 B15R1.3174 COC(=O)CCOCCC1CCCN1C 7a_100011215177_100000204255 [0,1,0,1,0,0|2,0,0]=4 16043 B15R1.3174 COC(=O)CCSCCC1CCCN1C 62a_100000005710_100000204255 [0,1,0,1,0,0|2,0,0]=4 16044 B15R1.3174 COC(=O)CCSCCC1CCCN1C 62a_100000204255_100000005710 [0,1,0,1,0,0|2,0,0]=4 16045 B15R1.3174 COC(=O)COCCOC1CCCC1C 34a_100011216460_100000090808 [0,1,0,1,0,0|2,0,0]=4 16046 B15R1.3174 COC(=O)COCCOC1CCCC1C 7a_100011216460_100000090808 [0,1,0,1,0,0|2,0,0]=4 16047 B15R1.3179 COC(=O)CCCCCCN1CCC1C 269982a_100000755817_100009815986 [0,1,0,1,0,0|1,0,0]=3 16048 B15R1.3179 COC(=O)CCCCCCN1CCC1C 34a_100000755817_100009815986 [0,1,0,1,0,0|1,0,0]=3 16049 B15R1.3523 CCCCCCCCCNC1CCC1=O 34a_100000212291_100009892977 [0,1,0,1,0,0|2,0,0]=4 16050 B15R1.3523 CCCCCCCCCOC1CCC1=O 34a_100000210712_100009892977 [0,1,0,1,0,0|2,0,0]=4 16051 B15R1.3523 CCCCCCCCCOC1CCC1=O 7a_100000210712_100009892977 [0,1,0,1,0,0|2,0,0]=4 16052 B15R1.3523 CCCCCCCCCSC1CCC1=O 62a_100009892977_100000210670 [0,1,0,1,0,0|2,0,0]=4 16053 B15R1.3523 CCCCCCCNCCC1CCC1=O 2230a_100000229938_200016118888 [0,1,0,1,0,0|2,0,0]=4 16054 B15R1.3523 CCCCCCCOCCC1CCC1=O 7a_100000210272_200016118888 [0,1,0,1,0,0|2,0,0]=4 16055 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_100000210614_200016118888 [0,1,0,1,0,0|2,0,0]=4 16056 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_200016118888_100000210316 [0,1,0,1,0,0|2,0,0]=4 16057 B15R1.3529 CCC1CCCC1NCCCC(=O)NC 269862a_100000740002_100000749056 [0,1,0,1,0,0|2,0,0]=4 16058 B15R1.3529 CCC1CCCC1NCCCC(=O)NC 270004a_100000740002_100000749056 [0,1,0,1,0,0|2,0,0]=4 16059 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 2230a_100000754278_100000204269 [0,1,0,1,0,0|1,0,0]=3 16060 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 269982a_100000754278_100000204269 [0,1,0,1,0,0|1,0,0]=3 16061 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 34a_100000754278_100000204269 [0,1,0,1,0,0|1,0,0]=3 16062 B15R1.3529 CCC1CCCN1CCOCC(=O)OC 2230a_100000754278_100000090808 [0,1,0,1,0,0|2,0,0]=4 16063 B15R1.3529 CCC1CCCN1CCOCC(=O)OC 34a_100000754278_100000090808 [0,1,0,1,0,0|2,0,0]=4 16064 B15R1.3529 CCN1CCCC1CNCCC(=O)OC 2230a_100000211693_100000204255 [0,1,0,1,0,0|2,0,0]=4 16065 B15R1.3529 CCN1CCC[C@@H]1COCCC(=O)OC 34a_100011739246_100000742370 [0,1,0,1,0,0|2,0,0]=4 16066 B15R1.3529 CCN1CCC[C@@H]1COCCC(=O)OC 7a_100011739246_100000204255 [0,1,0,1,0,0|2,0,0]=4 16067 B15R1.3529 COC(=O)CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000204269 [0,1,0,1,0,0|2,0,0]=4 16068 B15R1.3529 COC(=O)CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000204269 [0,1,0,1,0,0|2,0,0]=4 16069 B15R1.3529 COC(=O)CCCCN1CCC[C@@H]1CO 34a_100000745186_100000204269 [0,1,0,1,0,0|2,0,0]=4 16070 B15R1.3871 COCC1CCN1CCCCC(=O)OC 2230a_100015195929_100000204269 [0,1,0,1,0,0|2,0,0]=4 16071 B15R1.3871 COCC1CCN1CCCCC(=O)OC 269982a_100015195929_100000204269 [0,1,0,1,0,0|2,0,0]=4 16072 B15R1.3871 COCC1CCN1CCCCC(=O)OC 34a_100015195929_100000204269 [0,1,0,1,0,0|2,0,0]=4 16073 B15R1.4155 CCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210681 [0,1,0,1,0,0|1,0,0]=3 16074 B15R1.4155 CCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210681 [0,1,0,1,0,0|1,0,0]=3 16075 B15R1.4155 CCCCOCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000743108 [0,1,0,1,0,0|2,0,0]=4 16076 B15R1.4155 CCCCOCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000743108 [0,1,0,1,0,0|2,0,0]=4 16077 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCCF 2230a_102516456887_100015922095 [0,1,0,1,0,0|2,0,0]=4 16078 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCCF 269982a_102516456887_100015922095 [0,1,0,1,0,0|2,0,0]=4 16079 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCCO 2230a_102516456887_100000766143 [0,1,0,1,0,0|2,0,0]=4 16080 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCCO 269982a_102516456887_100000766143 [0,1,0,1,0,0|2,0,0]=4 16081 B15R1.6326 CCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210759 [0,1,0,1,0,0|1,0,0]=3 16082 B15R1.6326 COC(=O)C1CN1CCCCCCCO 2230a_200009830135_100000760002 [0,1,0,1,0,0|2,0,0]=4 16083 B15R1.6326 COCCCCCCN1CC1C(=O)OC 2230a_200009830135_100011998445 [0,1,0,1,0,0|2,0,0]=4 16084 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000737683 [0,1,0,1,0,0|2,0,0]=4 16085 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000737683 [0,1,0,1,0,0|2,0,0]=4 16086 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 34a_100000039187_100012179268 [0,1,0,1,0,0|2,0,0]=4 16087 B15R1.11427 CNC(=O)CNC1CCCCCCCC1 270004a_100000693194_100000038600 [0,1,0,1,0,0|2,0,0]=4 16088 B15R1.11427 COC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000204255 [0,1,0,1,0,0|1,0,0]=3 16089 B15R1.11427 COC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000204255 [0,1,0,1,0,0|1,0,0]=3 16090 B15R1.11427 COC(=O)CCN1CCCCCCCC1 34a_100000039187_100000742370 [0,1,0,1,0,0|1,0,0]=3 16091 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 2230a_100000210984_100000741757 [0,1,0,1,0,0|2,0,0]=4 16092 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 270004a_100000740002_100000210131 [0,1,0,1,0,0|2,0,0]=4 16093 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 34a_100000210984_100000741757 [0,1,0,1,0,0|2,0,0]=4 16094 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 34a_100000740002_100011217769 [0,1,0,1,0,0|2,0,0]=4 16095 B15R1.12309 CNC(=O)CCCOC1CCCCCC1 34a_100000210887_100000741757 [0,1,0,1,0,0|2,0,0]=4 16096 B15R1.12309 CNC(=O)CCCOC1CCCCCC1 7a_100000210887_100000741757 [0,1,0,1,0,0|2,0,0]=4 16097 B15R1.12309 CNC(=O)CCCSC1CCCCCC1 62a_100000741757_100011217769 [0,1,0,1,0,0|2,0,0]=4 16098 B15R1.12309 CNC(=O)CCCSC1CCCCCC1 62a_100011217769_100000741757 [0,1,0,1,0,0|2,0,0]=4 16099 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 2230a_100000738227_200000696569 [0,1,0,1,0,0|2,0,0]=4 16100 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000737683 [0,1,0,1,0,0|2,0,0]=4 16101 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 269862a_100000738227_200000763224 [0,1,0,1,0,0|2,0,0]=4 16102 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 34a_100000738227_200000696569 [0,1,0,1,0,0|2,0,0]=4 16103 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 34a_100015204231_100012179268 [0,1,0,1,0,0|2,0,0]=4 16104 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 34a_100000699130_100012179268 [0,1,0,1,0,0|2,0,0]=4 16105 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 34a_100000754576_200000696569 [0,1,0,1,0,0|2,0,0]=4 16106 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 7a_100000699130_100000737683 [0,1,0,1,0,0|2,0,0]=4 16107 B15R1.12309 CNC(=O)CCSCC1CCCCCC1 62a_100000737683_200000696569 [0,1,0,1,0,0|2,0,0]=4 16108 B15R1.12309 CNC(=O)CCSCC1CCCCCC1 62a_200000696569_100000737683 [0,1,0,1,0,0|2,0,0]=4 16109 B15R1.12309 CNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183359 [0,1,0,1,0,0|2,0,0]=4 16110 B15R1.12309 CNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183359 [0,1,0,1,0,0|2,0,0]=4 16111 B15R1.12309 COC(=O)CCCCN1CCCCCC1 2230a_100000185865_100000204269 [0,1,0,1,0,0|1,0,0]=3 16112 B15R1.12309 COC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000204269 [0,1,0,1,0,0|1,0,0]=3 16113 B15R1.12309 COC(=O)CCCCN1CCCCCC1 34a_100000185865_100000204269 [0,1,0,1,0,0|1,0,0]=3 16114 B15R1.12309 COC(=O)CCCCN1CCCOCC1 2230a_100000685342_100000204269 [0,1,0,1,0,0|2,0,0]=4 16115 B15R1.12309 COC(=O)CCCCN1CCCOCC1 269982a_100000685342_100000204269 [0,1,0,1,0,0|2,0,0]=4 16116 B15R1.12309 COC(=O)CCCCN1CCCOCC1 34a_100000685342_100000204269 [0,1,0,1,0,0|2,0,0]=4 16117 B15R1.12309 COC(=O)CCCNC1CCCCCC1 2230a_100000210984_100011218270 [0,1,0,1,0,0|1,0,0]=3 16118 B15R1.12309 COC(=O)CCCNC1CCCCCC1 34a_100000210984_100000742333 [0,1,0,1,0,0|1,0,0]=3 16119 B15R1.12309 COC(=O)CCCOC1CCCCCC1 34a_100000210887_100000742333 [0,1,0,1,0,0|1,0,0]=3 16120 B15R1.12309 COC(=O)CCCOC1CCCCCC1 7a_100000210887_100011218270 [0,1,0,1,0,0|1,0,0]=3 16121 B15R1.12309 COC(=O)CCCSC1CCCCCC1 62a_100011217769_100011218270 [0,1,0,1,0,0|1,0,0]=3 16122 B15R1.12309 COC(=O)CCCSC1CCCCCC1 62a_100011218270_100011217769 [0,1,0,1,0,0|1,0,0]=3 16123 B15R1.12309 COC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000204255 [0,1,0,1,0,0|1,0,0]=3 16124 B15R1.12309 COC(=O)CCNCC1CCCCCC1 34a_100015204231_100000742370 [0,1,0,1,0,0|1,0,0]=3 16125 B15R1.12309 COC(=O)CCOCC1CCCCCC1 34a_100000699130_100000742370 [0,1,0,1,0,0|1,0,0]=3 16126 B15R1.12309 COC(=O)CCOCC1CCCCCC1 7a_100000699130_100000204255 [0,1,0,1,0,0|1,0,0]=3 16127 B15R1.12309 COC(=O)CCSCC1CCCCCC1 62a_100000204255_200000696569 [0,1,0,1,0,0|1,0,0]=3 16128 B15R1.12309 COC(=O)CCSCC1CCCCCC1 62a_200000696569_100000204255 [0,1,0,1,0,0|1,0,0]=3 16129 B15R1.12309 COC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747449 [0,1,0,1,0,0|1,0,0]=3 16130 B15R1.12309 COC(=O)CNCCC1CCCCCC1 34a_100011532351_100000747449 [0,1,0,1,0,0|1,0,0]=3 16131 B15R1.12309 COC(=O)COCCN1CCCCCC1 2230a_100000185865_100000090808 [0,1,0,1,0,0|2,0,0]=4 16132 B15R1.12309 COC(=O)COCCN1CCCCCC1 34a_100000185865_100000090808 [0,1,0,1,0,0|2,0,0]=4 16133 B15R1.12309 COC(=O)COCCN1CCCCCC1 34a_100000238007_100000747449 [0,1,0,1,0,0|2,0,0]=4 16134 B15R1.12309 COC(=O)CSCCN1CCCCCC1 62a_100000722644_100000747449 [0,1,0,1,0,0|2,0,0]=4 16135 B15R1.12309 COC(=O)CSCCN1CCCCCC1 62a_100000747449_100000722644 [0,1,0,1,0,0|2,0,0]=4 16136 B15R1.12309 COC(=O)NCCOC1CCCCCC1 34a_100000757965_100011217769 [0,1,0,1,0,0|2,0,0]=4 16137 B15R1.12309 COC(=O)OCCOC1CCCCCC1 34a_100010262106_100011217769 [0,1,0,1,0,0|2,0,0]=4 16138 B15R1.12309 COC(=O)OCSCC1CCCCCC1 62a_200000696569_100000139417 [0,1,0,1,0,0|2,0,0]=4 16139 B15R1.12309 NC(=NO)CCOCC1CCCCCC1 34a_100000749954_200000696569 [0,1,0,1,0,0|2,0,0]=4 16140 B15R1.12309 NNC(=O)CCCOC1CCCCCC1 34a_100000211488_100011217769 [0,1,0,1,0,0|2,0,0]=4 16141 B15R1.12309 O=C(CO)NCCCN1CCCCCC1 240690a_100000181460_100000210174 [0,1,0,1,0,0|2,0,0]=4 16142 B15R1.12309 O=C(CO)NCCCN1CCCCCC1 527a_100000181460_100000210174 [0,1,0,1,0,0|2,0,0]=4 16143 B15R1.12436 C=CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000185746 [0,1,0,1,0,0|2,0,0]=4 16144 B15R1.12436 C=CC(=O)NCCC1CCCCCCC1 240690a_100011532352_200121576911 [0,1,0,1,0,0|2,0,0]=4 16145 B15R1.12436 CCC(=O)COCC1CCCCCCC1 7a_100011216312_100000747405 [0,1,0,1,0,0|2,0,0]=4 16146 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000210414 [0,1,0,1,0,0|2,0,0]=4 16147 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000210414 [0,1,0,1,0,0|2,0,0]=4 16148 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000210414 [0,1,0,1,0,0|2,0,0]=4 16149 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000210414 [0,1,0,1,0,0|2,0,0]=4 16150 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 2230a_100000211400_100000741757 [0,1,0,1,0,0|2,0,0]=4 16151 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 269982a_100000211400_100000741757 [0,1,0,1,0,0|2,0,0]=4 16152 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 34a_100000211400_100000741757 [0,1,0,1,0,0|2,0,0]=4 16153 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000737683 [0,1,0,1,0,0|2,0,0]=4 16154 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 270004a_100000738227_100000210524 [0,1,0,1,0,0|2,0,0]=4 16155 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 34a_100000211152_100012179268 [0,1,0,1,0,0|2,0,0]=4 16156 B15R1.12436 CNC(=O)CCOC1CCCCCCC1 34a_100000210054_100012179268 [0,1,0,1,0,0|2,0,0]=4 16157 B15R1.12436 CNC(=O)CCOC1CCCCCCC1 7a_100000210054_100000737683 [0,1,0,1,0,0|2,0,0]=4 16158 B15R1.12436 CNC(=O)COCC1CCCCCCC1 34a_100011216312_100000183359 [0,1,0,1,0,0|2,0,0]=4 16159 B15R1.12436 CNC(=O)COCC1CCCCCCC1 7a_100011216312_100000183359 [0,1,0,1,0,0|2,0,0]=4 16160 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 2708a_100011532352_106832991635 [0,1,0,1,0,0|2,0,0]=4 16161 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 2708a_100102657272_100011532352 [0,1,0,1,0,0|2,0,0]=4 16162 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100102657272 [0,1,0,1,0,0|2,0,0]=4 16163 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 273464a_100102657272_100011532352 [0,1,0,1,0,0|2,0,0]=4 16164 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 512a_106832991638_100011532352 [0,1,0,1,0,0|2,0,0]=4 16165 B15R1.12436 COC(=O)CCCN1CCCCCCC1 2230a_100000211400_100011218270 [0,1,0,1,0,0|1,0,0]=3 16166 B15R1.12436 COC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011218270 [0,1,0,1,0,0|1,0,0]=3 16167 B15R1.12436 COC(=O)CCCN1CCCCCCC1 34a_100000211400_100000742333 [0,1,0,1,0,0|1,0,0]=3 16168 B15R1.12436 COC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000204255 [0,1,0,1,0,0|1,0,0]=3 16169 B15R1.12436 COC(=O)CCNC1CCCCCCC1 34a_100000211152_100000742370 [0,1,0,1,0,0|1,0,0]=3 16170 B15R1.12436 COC(=O)CCOC1CCCCCCC1 34a_100000210054_100000742370 [0,1,0,1,0,0|1,0,0]=3 16171 B15R1.12436 COC(=O)CCOC1CCCCCCC1 7a_100000210054_100000204255 [0,1,0,1,0,0|1,0,0]=3 16172 B15R1.12436 COC(=O)COCC1CCCCCCC1 34a_100011216312_100000747449 [0,1,0,1,0,0|1,0,0]=3 16173 B15R1.12436 COC(=O)COCC1CCCCCCC1 7a_100011216312_100000747449 [0,1,0,1,0,0|1,0,0]=3 16174 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 240690a_100011532352_100000210174 [0,1,0,1,0,0|1,0,0]=3 16175 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 527a_100011532352_100000210174 [0,1,0,1,0,0|1,0,0]=3 16176 B15R1.237 CCCCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210314 [0,1,0,1,0,0|2,0,0]=4 16177 B15R1.237 CCCCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210757 [0,1,0,1,0,0|2,0,0]=4 16178 B15R1.237 CCCCCCN1CCCC(C1)C(=O)N 34a_100000195536_100000210314 [0,1,0,1,0,0|2,0,0]=4 16179 B15R1.237 CCCCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210326 [0,1,0,1,0,0|2,0,0]=4 16180 B15R1.237 CCCCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000718602 [0,1,0,1,0,0|2,0,0]=4 16181 B15R1.237 CCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210326 [0,1,0,1,0,0|1,0,0]=3 16182 B15R1.237 CCOCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210147 [0,1,0,1,0,0|2,0,0]=4 16183 B15R1.237 CCSCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000757381 [0,1,0,1,0,0|2,0,0]=4 16184 B15R1.237 COCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000740836 [0,1,0,1,0,0|2,0,0]=4 16185 B15R1.237 O=C(O)C1CCCC(C1)NCCCCF 269956a_100011216634_100000729493 [0,1,0,1,0,0|2,0,0]=4 16186 B15R1.237 O=C(O)C1CCCC(C1)NCCCCO 269956a_100011216634_100000210776 [0,1,0,1,0,0|2,0,0]=4 16187 B15R1.257 CC(CNCC1CCCCN1C)C(=O)O 269956a_100000749485_100015185383 [0,1,0,1,0,0|2,0,0]=4 16188 B15R1.257 CN1CCCCC1CNCC(F)C(=O)O 269956a_100000084737_100015185383 [0,1,0,1,0,0|2,0,0]=4 16189 B15R1.257 C[C@H](NCCC1CCCCN1C)C(=O)O 269956a_100000743915_100000211948 [0,1,0,1,0,0|2,0,0]=4 16190 B15R1.272 CCCC1CCCCC1N[C@H](C)C(=O)N 270004a_100000119354_100011218038 [0,1,0,1,0,0|2,0,0]=4 16191 B15R1.272 CCCC1CCCCC1OC(C)C(=O)C 7a_100011217265_100000179758 [0,1,0,1,0,0|2,0,0]=4 16192 B15R1.272 CCCC1CCCCC1OC(C)C(=O)N 34a_100011217265_100000702099 [0,1,0,1,0,0|2,0,0]=4 16193 B15R1.272 CCCC1CCCCC1OC(C)C(=O)N 7a_100011217265_100000702099 [0,1,0,1,0,0|2,0,0]=4 16194 B15R1.272 CCCC1CCCCC1OC(F)C(=O)N 34a_100011217265_100009813875 [0,1,0,1,0,0|2,0,0]=4 16195 B15R1.272 CCCC1CCCCC1OC(F)C(=O)N 7a_100011217265_100009813875 [0,1,0,1,0,0|2,0,0]=4 16196 B15R1.272 CCCC1CCCCC1OC(F)C(=O)[O-] 34a_100011217265_100020610796 [0,1,0,1,0,0|1,0,1]=4 16197 B15R1.356 CC(CNCCC1CCCN1C)C(=O)O 269956a_100000749485_100000005710 [0,1,0,1,0,0|2,0,0]=4 16198 B15R1.356 CN1CCCC1CCNCC(F)C(=O)O 269956a_100000084737_100000005710 [0,1,0,1,0,0|2,0,0]=4 16199 B15R1.2098 CC1(CCCCN1CCCCF)C(=O)O 269956a_100000698061_100000729493 [0,1,0,1,0,0|2,0,0]=4 16200 B15R1.2098 CC1(CCCCN1CCCCO)C(=O)O 269956a_100000698061_100000210776 [0,1,0,1,0,0|2,0,0]=4 16201 B15R1.2098 CCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210326 [0,1,0,1,0,0|1,0,0]=3 16202 B15R1.2098 CCOCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210147 [0,1,0,1,0,0|2,0,0]=4 16203 B15R1.2098 CCSCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000757381 [0,1,0,1,0,0|2,0,0]=4 16204 B15R1.2098 COCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000740836 [0,1,0,1,0,0|2,0,0]=4 16205 B15R1.3664 CC(=O)C(C)COCCC1CCCCC1 34a_100000032740_100011209188 [0,1,0,1,0,0|2,0,0]=4 16206 B15R1.3664 CC(=O)C(C)COCCC1CCCCC1 7a_100000032740_100011273959 [0,1,0,1,0,0|2,0,0]=4 16207 B15R1.3664 CC(=O)C(C)NCCCC1CCCCC1 2230a_100011211642_100009814033 [0,1,0,1,0,0|2,0,0]=4 16208 B15R1.3664 CC(=O)C(C)OCCCC1CCCCC1 34a_100000212229_100011713725 [0,1,0,1,0,0|2,0,0]=4 16209 B15R1.3664 CC(=O)C(C)OCCCC1CCCCC1 7a_100000198086_100000179758 [0,1,0,1,0,0|2,0,0]=4 16210 B15R1.3664 CC(=O)C(C)SCCCC1CCCCC1 62a_100009814033_100011713725 [0,1,0,1,0,0|2,0,0]=4 16211 B15R1.3664 CC(=O)C(C)SCCCC1CCCCC1 62a_100011713725_100009814033 [0,1,0,1,0,0|2,0,0]=4 16212 B15R1.3664 CC(CNCCC1CCCCC1)C(=O)O 269956a_100000749485_100011273959 [0,1,0,1,0,0|1,0,0]=3 16213 B15R1.3664 CC(CNCCC1CCOCC1)C(=O)O 269956a_100000749485_100011934994 [0,1,0,1,0,0|2,0,0]=4 16214 B15R1.3664 CC(CNCCN1CCCCC1)C(=O)O 269956a_100000749485_100000739454 [0,1,0,1,0,0|2,0,0]=4 16215 B15R1.3664 CC(CNCOC1CCCCC1)C(=O)O 269956a_100000749485_100011935260 [0,1,0,1,0,0|2,0,0]=4 16216 B15R1.3664 CC(NCCCC1CCCCC1)C(=O)N 2230a_100011211642_100000702099 [0,1,0,1,0,0|2,0,0]=4 16217 B15R1.3664 CC(NCCCC1CCCCC1)C(=O)N 34a_100011211642_100000702099 [0,1,0,1,0,0|2,0,0]=4 16218 B15R1.3664 CC(OCCCC1CCCCC1)C(=O)N 34a_100000198086_100000702099 [0,1,0,1,0,0|2,0,0]=4 16219 B15R1.3664 CC(OCCCC1CCCCC1)C(=O)N 7a_100000198086_100000702099 [0,1,0,1,0,0|2,0,0]=4 16220 B15R1.3664 CC(SCCCC1CCCCC1)C(=O)N 62a_100000702099_100011713725 [0,1,0,1,0,0|2,0,0]=4 16221 B15R1.3664 CC(SCCCC1CCCCC1)C(=O)N 62a_100011713725_100000702099 [0,1,0,1,0,0|2,0,0]=4 16222 B15R1.3664 C[C@@H](NCCCC1CCCCC1)C(=O)N 2230a_100000119354_100011713725 [0,1,0,1,0,0|2,0,0]=4 16223 B15R1.3664 C[C@@H](NCCCC1CCCCC1)C(=O)N 34a_100000119354_100011713725 [0,1,0,1,0,0|2,0,0]=4 16224 B15R1.3664 C[C@@H](OCCCC1CCCCC1)C(=O)N 34a_100000731257_100011713725 [0,1,0,1,0,0|2,0,0]=4 16225 B15R1.3664 C[C@@H](OCCCC1CCCCC1)C(=O)N 7a_100000731257_100011713725 [0,1,0,1,0,0|2,0,0]=4 16226 B15R1.3664 C[C@H](NCCCC1CCCCC1)C(=O)O 269956a_100000743915_100011713725 [0,1,0,1,0,0|1,0,0]=3 16227 B15R1.3664 C[C@H](NCCCN1CCCCC1)C(=O)O 269956a_100000743915_100000007876 [0,1,0,1,0,0|2,0,0]=4 16228 B15R1.3664 C[C@H](NCCOC1CCCCC1)C(=O)O 269956a_100000743915_100011211530 [0,1,0,1,0,0|2,0,0]=4 16229 B15R1.3664 C[C@H](OCCCC1CCCCC1)C(=O)[O-] 7a_217856618621_100011713725 [0,1,0,1,0,0|1,0,1]=4 16230 B15R1.3664 NC(=O)C(F)NCCCC1CCCCC1 2230a_100011211642_100009813875 [0,1,0,1,0,0|2,0,0]=4 16231 B15R1.3664 NC(=O)C(F)NCCCC1CCCCC1 34a_100011211642_100009813875 [0,1,0,1,0,0|2,0,0]=4 16232 B15R1.3664 NC(=O)C(F)OCCCC1CCCCC1 34a_100000198086_100009813875 [0,1,0,1,0,0|2,0,0]=4 16233 B15R1.3664 NC(=O)C(F)OCCCC1CCCCC1 7a_100000198086_100009813875 [0,1,0,1,0,0|2,0,0]=4 16234 B15R1.3664 NC(=O)C(F)SCCCC1CCCCC1 62a_100009813875_100011713725 [0,1,0,1,0,0|2,0,0]=4 16235 B15R1.3664 NC(=O)C(F)SCCCC1CCCCC1 62a_100011713725_100009813875 [0,1,0,1,0,0|2,0,0]=4 16236 B15R1.3664 NC(=O)[C@@H](N)COCCC1CCCCC1 34a_100000729942_100011209188 [0,1,0,1,0,0|2,0,0]=4 16237 B15R1.3664 O=C(O)C(F)CNCCC1CCCCC1 269956a_100000084737_100011273959 [0,1,0,1,0,0|1,0,0]=3 16238 B15R1.3664 O=C(O)C(F)CNCCC1CCOCC1 269956a_100000084737_100011934994 [0,1,0,1,0,0|2,0,0]=4 16239 B15R1.3664 O=C(O)C(F)CNCCN1CCCCC1 269956a_100000084737_100000739454 [0,1,0,1,0,0|2,0,0]=4 16240 B15R1.3664 O=C(O)C(F)CNCOC1CCCCC1 269956a_100000084737_100011935260 [0,1,0,1,0,0|2,0,0]=4 16241 B15R1.3664 O=C([O-])C(F)NCCCC1CCCCC1 34a_100011211642_100020610796 [0,1,0,1,0,0|1,0,1]=4 16242 B15R1.3664 O=C([O-])C(F)OCCCC1CCCCC1 34a_100000198086_100020610796 [0,1,0,1,0,0|1,0,1]=4 16243 B15R1.3664 O=C([O-])C(F)SCCCC1CCCCC1 62a_100011713725_100020610796 [0,1,0,1,0,0|1,0,1]=4 16244 B15R1.3664 O=C([O-])C(F)SCCCC1CCCCC1 62a_100020610796_100011713725 [0,1,0,1,0,0|1,0,1]=4 16245 B15R1.3670 CC(=O)C(C)COCCCC1CCCC1 34a_100000032740_100011713738 [0,1,0,1,0,0|2,0,0]=4 16246 B15R1.3670 CC(=O)C(C)COCCCC1CCCC1 7a_100000032740_100011713738 [0,1,0,1,0,0|2,0,0]=4 16247 B15R1.3670 CC(CNCCCC1CCCC1)C(=O)O 269956a_100000749485_100011713738 [0,1,0,1,0,0|1,0,0]=3 16248 B15R1.3670 CC(CNCCCN1CCCC1)C(=O)O 269956a_100000749485_100011445909 [0,1,0,1,0,0|2,0,0]=4 16249 B15R1.3670 NC(=O)[C@@H](N)COCCCC1CCCC1 34a_100000729942_100011713738 [0,1,0,1,0,0|2,0,0]=4 16250 B15R1.3670 O=C(O)C(F)CNCCCC1CCCC1 269956a_100000084737_100011713738 [0,1,0,1,0,0|1,0,0]=3 16251 B15R1.3670 O=C(O)C(F)CNCCCN1CCCC1 269956a_100000084737_100011445909 [0,1,0,1,0,0|2,0,0]=4 16252 B15R1.4018 CCCCC1CCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000750825 [0,1,0,1,0,0|2,0,0]=4 16253 B15R1.6330 CCCCCCCCN1CC(C1)C(=O)N 34a_100025753142_100000210759 [0,1,0,1,0,0|2,0,0]=4 16254 B15R1.6330 CCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210614 [0,1,0,1,0,0|1,0,0]=3 16255 B15R1.6330 CCCCOCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000743108 [0,1,0,1,0,0|2,0,0]=4 16256 B15R1.6330 O=C(O)[C@H]1C[C@H](C1)NCCCCCCF 269956a_100000738708_100015922095 [0,1,0,1,0,0|2,0,0]=4 16257 B15R1.6330 O=C(O)[C@H]1C[C@H](C1)NCCCCCCO 269956a_100000738708_100000766143 [0,1,0,1,0,0|2,0,0]=4 16258 B15R1.6435 CCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210757 [0,1,0,1,0,0|1,0,0]=3 16259 B15R1.6435 CCCCOCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011995733 [0,1,0,1,0,0|2,0,0]=4 16260 B15R1.6435 CCCOCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011215938 [0,1,0,1,0,0|2,0,0]=4 16261 B15R1.6435 CCOCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100012232248 [0,1,0,1,0,0|2,0,0]=4 16262 B15R1.6435 COCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000730899 [0,1,0,1,0,0|2,0,0]=4 16263 B15R1.6435 C[C@]1(CCCN1CCCCCF)C(=O)O 269956a_100009816582_100000729378 [0,1,0,1,0,0|2,0,0]=4 16264 B15R1.6435 C[C@]1(CCCN1CCCCCO)C(=O)O 269956a_100009816582_100000746330 [0,1,0,1,0,0|2,0,0]=4 16265 B15R1.15940 CC(=O)C(C)COCC1CCCCCC1 34a_100000032740_200000696569 [0,1,0,1,0,0|2,0,0]=4 16266 B15R1.15940 CC(=O)C(C)COCC1CCCCCC1 7a_100000032740_200000696569 [0,1,0,1,0,0|2,0,0]=4 16267 B15R1.15940 CC(=O)C(C)NCCC1CCCCCC1 2230a_100011532351_100009814033 [0,1,0,1,0,0|2,0,0]=4 16268 B15R1.15940 CC(CNCC1CCCCCC1)C(=O)O 269956a_100000749485_200000696569 [0,1,0,1,0,0|1,0,0]=3 16269 B15R1.15940 CC(NCCC1CCCCCC1)C(=O)N 2230a_100011532351_100000702099 [0,1,0,1,0,0|2,0,0]=4 16270 B15R1.15940 CC(NCCC1CCCCCC1)C(=O)N 34a_100011532351_100000702099 [0,1,0,1,0,0|2,0,0]=4 16271 B15R1.15940 C[C@H](NCCN1CCCCCC1)C(=O)O 269956a_100000743915_100000722644 [0,1,0,1,0,0|2,0,0]=4 16272 B15R1.15940 NC(=O)C(F)NCCC1CCCCCC1 2230a_100011532351_100009813875 [0,1,0,1,0,0|2,0,0]=4 16273 B15R1.15940 NC(=O)C(F)NCCC1CCCCCC1 34a_100011532351_100009813875 [0,1,0,1,0,0|2,0,0]=4 16274 B15R1.15940 NC(=O)[C@@H](N)COCC1CCCCCC1 34a_100000729942_200000696569 [0,1,0,1,0,0|2,0,0]=4 16275 B15R1.15940 O=C(O)C(F)CNCC1CCCCCC1 269956a_100000084737_200000696569 [0,1,0,1,0,0|1,0,0]=3 16276 B15R1.15940 O=C([O-])C(F)NCCC1CCCCCC1 34a_100011532351_100020610796 [0,1,0,1,0,0|1,0,1]=4 16277 B15R1.15979 CC(=O)C(C)OCC1CCCCCCC1 7a_100011216312_100000179758 [0,1,0,1,0,0|2,0,0]=4 16278 B15R1.15979 CC(OCC1CCCCCCC1)C(=O)N 34a_100011216312_100000702099 [0,1,0,1,0,0|2,0,0]=4 16279 B15R1.15979 CC(OCC1CCCCCCC1)C(=O)N 7a_100011216312_100000702099 [0,1,0,1,0,0|2,0,0]=4 16280 B15R1.15979 NC(=O)C(F)OCC1CCCCCCC1 34a_100011216312_100009813875 [0,1,0,1,0,0|2,0,0]=4 16281 B15R1.15979 NC(=O)C(F)OCC1CCCCCCC1 7a_100011216312_100009813875 [0,1,0,1,0,0|2,0,0]=4 16282 B15R1.15979 O=C([O-])C(F)OCC1CCCCCCC1 34a_100011216312_100020610796 [0,1,0,1,0,0|1,0,1]=4 16283 B15R1.16044 C[C@@H](NC1CCCCCCCC1)C(=O)N 270004a_100000119354_100000038600 [0,1,0,1,0,0|2,0,0]=4 16284 B15R1.86 CCC1CCCCC1N(C)CCC(=O)N 270004a_100000730477_100000757040 [0,1,0,1,0,0|2,0,0]=4 16285 B15R1.233 CCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210314 [0,1,0,1,0,0|2,0,0]=4 16286 B15R1.233 CCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210757 [0,1,0,1,0,0|2,0,0]=4 16287 B15R1.233 CCCCCCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210314 [0,1,0,1,0,0|2,0,0]=4 16288 B15R1.233 CCCCCCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210757 [0,1,0,1,0,0|2,0,0]=4 16289 B15R1.233 CCCCCCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210314 [0,1,0,1,0,0|2,0,0]=4 16290 B15R1.233 CCCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210757 [0,1,0,1,0,0|1,0,0]=3 16291 B15R1.233 CCCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210757 [0,1,0,1,0,0|1,0,0]=3 16292 B15R1.233 CCCCOCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011995733 [0,1,0,1,0,0|2,0,0]=4 16293 B15R1.233 CCCCOCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011995733 [0,1,0,1,0,0|2,0,0]=4 16294 B15R1.233 CCCOCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011215938 [0,1,0,1,0,0|2,0,0]=4 16295 B15R1.233 CCCOCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011215938 [0,1,0,1,0,0|2,0,0]=4 16296 B15R1.233 CCOCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100012232248 [0,1,0,1,0,0|2,0,0]=4 16297 B15R1.233 CCOCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100012232248 [0,1,0,1,0,0|2,0,0]=4 16298 B15R1.233 COCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000730899 [0,1,0,1,0,0|2,0,0]=4 16299 B15R1.233 COCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000730899 [0,1,0,1,0,0|2,0,0]=4 16300 B15R1.233 O=C(O)[C@@H]1C[C@@H](CN1CCCCCF)F 269956a_100016993324_100000729378 [0,1,0,1,0,0|2,0,0]=4 16301 B15R1.233 O=C(O)[C@@H]1C[C@@H](CN1CCCCCF)O 269956a_100000750407_100000729378 [0,1,0,1,0,0|2,0,0]=4 16302 B15R1.233 O=C(O)[C@@H]1C[C@@H](CN1CCCCCO)F 269956a_100016993324_100000746330 [0,1,0,1,0,0|2,0,0]=4 16303 B15R1.233 O=C(O)[C@@H]1C[C@@H](CN1CCCCCO)O 269956a_100000750407_100000746330 [0,1,0,1,0,0|2,0,0]=4 16304 B15R1.559 CCCCCN1CCN(CC1C(=O)O)C 269956a_100020626280_100000210326 [0,1,0,1,0,0|2,0,0]=4 16305 B15R1.559 CCCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210326 [0,1,0,1,0,0|1,0,0]=3 16306 B15R1.559 CCOCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210147 [0,1,0,1,0,0|2,0,0]=4 16307 B15R1.559 CCSCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000757381 [0,1,0,1,0,0|2,0,0]=4 16308 B15R1.559 COCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000740836 [0,1,0,1,0,0|2,0,0]=4 16309 B15R1.559 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCCF 269956a_100009817619_100000729493 [0,1,0,1,0,0|2,0,0]=4 16310 B15R1.559 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCCO 269956a_100009817619_100000210776 [0,1,0,1,0,0|2,0,0]=4 16311 B15R1.606 CCCC1CCCC1N(C)CCC(=O)N 270004a_100000730477_100000723119 [0,1,0,1,0,0|2,0,0]=4 16312 B15R1.4696 CCCCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210759 [0,1,0,1,0,0|1,0,1]=4 16313 B15R1.4696 CCCCCCCCN(C)C1CC(=O)C1 269982a_100000207567_100009894365 [0,1,0,1,0,0|2,0,0]=4 16314 B15R1.5919 CN(CCC(=O)N)CCC1CCCCC1 2230a_100000730477_100012355289 [0,1,0,1,0,0|2,0,0]=4 16315 B15R1.5919 CN(CCC(=O)N)CCC1CCCCC1 270004a_100000730477_100011713444 [0,1,0,1,0,0|2,0,0]=4 16316 B15R1.5919 NC(=O)CCC(=O)CCC1CCCCC1 1458a_100011215257_100011273959 [0,1,0,1,0,0|1,0,1]=4 16317 B15R1.12292 CC(=O)CCN(C)CCCC1CCCC1 269982a_100015186261_100000053229 [0,1,0,1,0,0|2,0,0]=4 16318 B15R1.12292 CN(CCCC1CCCC1)CCC(=O)N 2230a_100000730477_100011713738 [0,1,0,1,0,0|2,0,0]=4 16319 B15R1.12292 CN(CCCC1CCCC1)CCC(=O)N 2230a_100015186261_100000744528 [0,1,0,1,0,0|2,0,0]=4 16320 B15R1.12292 CN(CCCC1CCCC1)CCC(=O)N 269982a_100015186261_100000744528 [0,1,0,1,0,0|2,0,0]=4 16321 B15R1.12292 CN(CCCC1CCCC1)CCC(=O)N 34a_100015186261_100000731001 [0,1,0,1,0,0|2,0,0]=4 16322 B15R1.12292 NC(=O)CCC(=O)CCCC1CCCC1 1458a_100011215257_100011713738 [0,1,0,1,0,0|1,0,1]=4 16323 B15R1.16735 CN(CCC(=O)N)C1CCCCCCC1 270004a_100000730477_100000210524 [0,1,0,1,0,0|2,0,0]=4 16324 B15R1.16777 CN(CCC(=O)N)CC1CCCCCC1 2230a_100000730477_200000696569 [0,1,0,1,0,0|2,0,0]=4 16325 B15R1.16777 NC(=O)CCC(=O)CC1CCCCCC1 1458a_100011215257_200000696569 [0,1,0,1,0,0|1,0,1]=4 16326 B15R1.130 CN(CCC1CCCCN1C)CC(=O)O 269956a_100000746989_100000211948 [0,1,0,1,0,0|2,0,0]=4 16327 B15R1.130 O=C(O)CC(O)CNC1CCCCC1F 269956a_100011218706_100015423560 [0,1,0,1,0,0|2,0,0]=4 16328 B15R1.130 O=C(O)CC(O)CNC1CCCCC1O 269956a_100011218706_100000038908 [0,1,0,1,0,0|2,0,0]=4 16329 B15R1.224 CCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210757 [0,1,0,1,0,0|1,0,0]=3 16330 B15R1.224 CCCCOCN1CCC(C1)CC(=O)O 269956a_100000719201_100011995733 [0,1,0,1,0,0|2,0,0]=4 16331 B15R1.224 CCCOCCN1CCC(C1)CC(=O)O 269956a_100000719201_100011215938 [0,1,0,1,0,0|2,0,0]=4 16332 B15R1.224 CCOCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100012232248 [0,1,0,1,0,0|2,0,0]=4 16333 B15R1.224 COCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000730899 [0,1,0,1,0,0|2,0,0]=4 16334 B15R1.224 O=C(O)CC1CCN(C1)CCCCCF 269956a_100000719201_100000729378 [0,1,0,1,0,0|2,0,0]=4 16335 B15R1.224 O=C(O)CC1CCN(C1)CCCCCO 269956a_100000719201_100000746330 [0,1,0,1,0,0|2,0,0]=4 16336 B15R1.271 CCCC1CCCCC1N(C)CC(=O)N 270004a_100000739694_100011218038 [0,1,0,1,0,0|2,0,0]=4 16337 B15R1.829 CCCCC1CCCC1N(C)CC(=O)N 270004a_100000739694_100000750825 [0,1,0,1,0,0|2,0,0]=4 16338 B15R1.5503 O=C(O)CC(O)CNCCC1CCCC1 269956a_100011218706_100000760354 [0,1,0,1,0,0|1,0,0]=3 16339 B15R1.5503 O=C(O)CC(O)CNCCN1CCCC1 269956a_100011218706_100000004467 [0,1,0,1,0,0|2,0,0]=4 16340 B15R1.9084 CN(CCCC1CCCCC1)CC(=O)N 2230a_100000739694_100011713725 [0,1,0,1,0,0|2,0,0]=4 16341 B15R1.9084 CN(CCCC1CCCCC1)CC(=O)O 269956a_100000746989_100011713725 [0,1,0,1,0,0|1,0,0]=3 16342 B15R1.9084 CN(CCCN1CCCCC1)CC(=O)O 269956a_100000746989_100000007876 [0,1,0,1,0,0|2,0,0]=4 16343 B15R1.9084 CN(CCOC1CCCCC1)CC(=O)O 269956a_100000746989_100011211530 [0,1,0,1,0,0|2,0,0]=4 16344 B15R1.9084 NC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000187820 [0,1,0,1,0,0|1,0,1]=4 16345 B15R1.9084 NC(=O)CC(=O)CCCC1CCCCC1 1458a_100134613110_100011713725 [0,1,0,1,0,0|1,0,1]=4 16346 B15R1.9084 O=C(O)CC(O)CNCC1CCCCC1 269956a_100011218706_100000211423 [0,1,0,1,0,0|1,0,0]=3 16347 B15R1.9084 O=C(O)CC(O)CNCC1CCCCO1 269956a_100011218706_100000211543 [0,1,0,1,0,0|2,0,0]=4 16348 B15R1.9084 O=C(O)CC(O)CNCC1CCCOC1 269956a_100011218706_100000741521 [0,1,0,1,0,0|2,0,0]=4 16349 B15R1.9084 O=C(O)CC(O)CNCC1CCOCC1 269956a_100011218706_100000754603 [0,1,0,1,0,0|2,0,0]=4 16350 B15R1.9084 O=C([O-])CC(=O)CCCC1CCCCC1 1458a_100000211478_100020667443 [0,1,0,1,0,0|0,0,2]=4 16351 B15R1.22526 CN(CC(=O)N)C1CCCCCCCC1 270004a_100000739694_100000038600 [0,1,0,1,0,0|2,0,0]=4 16352 B15R1.22532 CN(CCN1CCCCCC1)CC(=O)O 269956a_100000746989_100000722644 [0,1,0,1,0,0|2,0,0]=4 16353 B15R1.22532 O=C(O)CC(O)CNC1CCCCCC1 269956a_100011218706_100011217769 [0,1,0,1,0,0|1,0,0]=3 16354 B15R1.84 CC(=O)CCCCN1CCCCC1CO 269982a_100000210821_100000735457 [0,1,0,1,0,0|2,0,0]=4 16355 B15R1.84 CC(=O)CCCCN1CCCCC1CO 34a_100000210821_100009817362 [0,1,0,1,0,0|2,0,0]=4 16356 B15R1.84 CC(=O)CCCOC1CCCCC1CN 34a_100011216029_100000685027 [0,1,0,1,0,0|2,0,0]=4 16357 B15R1.84 CCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000757040 [0,1,0,1,0,0|1,0,0]=3 16358 B15R1.84 CCC1CCCCC1NCCCS(=O)C 270004a_200000753449_100000757040 [0,1,0,1,0,0|2,0,0]=4 16359 B15R1.84 CCC1CCCCC1NCCNC(=O)C 269862a_100000209853_100000757040 [0,1,0,1,0,0|2,0,0]=4 16360 B15R1.84 CCC1CCCCC1NCCNC(=O)N 269862a_100020590234_100000757040 [0,1,0,1,0,0|2,0,0]=4 16361 B15R1.84 CCC1CCCCC1NCCSC(=O)C 269862a_100020647217_100000757040 [0,1,0,1,0,0|2,0,0]=4 16362 B15R1.84 CCC1CCCCC1OCCCC(=O)C 34a_100000210738_100000685027 [0,1,0,1,0,0|1,0,0]=3 16363 B15R1.84 CCC1CCCCC1OCCCC(=O)C 7a_100000210738_100011215641 [0,1,0,1,0,0|1,0,0]=3 16364 B15R1.84 CCC1CCCCC1OCCCC(=O)N 34a_100000210738_100102525003 [0,1,0,1,0,0|1,0,0]=3 16365 B15R1.84 CCC1CCCCC1OCCCC(=O)N 7a_100000210738_100102525003 [0,1,0,1,0,0|1,0,0]=3 16366 B15R1.84 CCC1CCCCC1OCCCC(C)O 34a_100000210738_200000718107 [0,1,0,1,0,0|1,0,1]=4 16367 B15R1.84 CCC1CCCCC1OCCCC(C)O 7a_100000210738_200000718107 [0,1,0,1,0,0|1,0,1]=4 16368 B15R1.84 CCC1CCCCC1OCCNC(=O)C 7a_100000210738_100000189650 [0,1,0,1,0,0|2,0,0]=4 16369 B15R1.84 CCC1CCCCC1OCCNC(=O)N 7a_100000210738_200000034859 [0,1,0,1,0,0|2,0,0]=4 16370 B15R1.84 CCC1CCCCC1OCCOC(=O)C 34a_100000210738_100009814007 [0,1,0,1,0,0|2,0,0]=4 16371 B15R1.84 CCC1CCCCC1OCCOC(=O)C 7a_100000210738_100009814007 [0,1,0,1,0,0|2,0,0]=4 16372 B15R1.84 CCC1CCCCC1OCCOC(=O)N 34a_100000210738_200011214921 [0,1,0,1,0,0|2,0,0]=4 16373 B15R1.84 CCC1CCCCC1OCCOC(=O)N 7a_100000210738_200011214921 [0,1,0,1,0,0|2,0,0]=4 16374 B15R1.84 CCC1CCCCN1CCCCB(O)O 2230a_100000210034_200009817182 [0,1,0,1,0,0|1,0,1]=4 16375 B15R1.84 CCC1CCCCN1CCCCB(O)O 269982a_100000210034_200009817182 [0,1,0,1,0,0|1,0,1]=4 16376 B15R1.84 CCC1CCCCN1CCCCB(O)O 34a_100000210034_200009817182 [0,1,0,1,0,0|1,0,1]=4 16377 B15R1.84 CCC1CCCCN1CCCCC(=O)C 269982a_100000210034_100000735457 [0,1,0,1,0,0|1,0,0]=3 16378 B15R1.84 CCC1CCCCN1CCCCC(=O)C 34a_100000210034_100009817362 [0,1,0,1,0,0|1,0,0]=3 16379 B15R1.84 CCC1CCCCN1CCCNC(=O)C 11a_100011191702_100015343762 [0,1,0,1,0,0|2,0,0]=4 16380 B15R1.84 CCC1CCCCN1CCCNC(=O)C 1626a_100011191702_100015343762 [0,1,0,1,0,0|2,0,0]=4 16381 B15R1.84 CCC1CCCCN1CCCNC(=O)C 240690a_100011191702_100015343762 [0,1,0,1,0,0|2,0,0]=4 16382 B15R1.84 CCC1CCCCN1CCCNC(=O)C 527a_100011191702_100103153847 [0,1,0,1,0,0|2,0,0]=4 16383 B15R1.84 CCC1CCCCN1CCCOC(=O)C 269982a_100000210034_100000042594 [0,1,0,1,0,0|2,0,0]=4 16384 B15R1.84 CCC1CCCCN1CCCOC(=O)C 34a_100000210034_100000042594 [0,1,0,1,0,0|2,0,0]=4 16385 B15R1.84 CCC1CCCCN1CCCSC(=O)C 2230a_100000210034_100000038929 [0,1,0,1,0,0|2,0,0]=4 16386 B15R1.84 CCC1CCCCN1CCCSC(=O)C 269982a_100000210034_100000038929 [0,1,0,1,0,0|2,0,0]=4 16387 B15R1.84 CCC1CCCCN1CCCSC(=O)C 34a_100000210034_100000038929 [0,1,0,1,0,0|2,0,0]=4 16388 B15R1.84 CCC1CCCCN1CCNCC(=O)N 2230a_100000755458_100000747473 [0,1,0,1,0,0|2,0,0]=4 16389 B15R1.84 CCC1CCCCN1CCNCC(=O)N 34a_100000755458_100000187820 [0,1,0,1,0,0|2,0,0]=4 16390 B15R1.84 CCC1CCCCN1CCNCC(=O)[O-] 34a_100000755458_100020667443 [0,1,0,1,0,0|1,0,1]=4 16391 B15R1.84 CCC1CCCCN1CCOCC(=O)N 2230a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 16392 B15R1.84 CCC1CCCCN1CCOCC(=O)N 269982a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 16393 B15R1.84 CCC1CCCCN1CCOCC(=O)N 34a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 16394 B15R1.84 CCN1CCCCC1CNCCC(=O)N 2230a_100000754393_100000744528 [0,1,0,1,0,0|2,0,0]=4 16395 B15R1.84 CCN1CCCCC1CNCCC(=O)N 34a_100000754393_100000731001 [0,1,0,1,0,0|2,0,0]=4 16396 B15R1.84 CCN1CCCCC1COCCC(=O)C 7a_100000225091_100000053229 [0,1,0,1,0,0|2,0,0]=4 16397 B15R1.84 CCN1CCCCC1COCCC(=O)N 34a_100000225091_100000731001 [0,1,0,1,0,0|2,0,0]=4 16398 B15R1.84 CCN1CCCCC1COCCC(=O)N 7a_100000225091_100000744528 [0,1,0,1,0,0|2,0,0]=4 16399 B15R1.84 CC[C@H]1COCCN1CCCCC(=O)C 269982a_100016988097_100000735457 [0,1,0,1,0,0|2,0,0]=4 16400 B15R1.84 CC[C@H]1COCCN1CCCCC(=O)C 34a_100016988097_100009817362 [0,1,0,1,0,0|2,0,0]=4 16401 B15R1.84 CN[C@@H]1CCCC[C@H]1OCCCC(=O)C 34a_100000708425_100000685027 [0,1,0,1,0,0|2,0,0]=4 16402 B15R1.84 CN[C@@H]1CCCC[C@H]1OCCCC(=O)N 34a_100000708425_100102525003 [0,1,0,1,0,0|2,0,0]=4 16403 B15R1.84 COC1CCCCC1NCCCC(=O)C 34a_100011208099_100000685027 [0,1,0,1,0,0|2,0,0]=4 16404 B15R1.84 COC1CCCCC1NCCCC(=O)N 34a_100011208099_100102525003 [0,1,0,1,0,0|2,0,0]=4 16405 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)C 34a_200009815850_100000685027 [0,1,0,1,0,0|2,0,0]=4 16406 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)C 7a_200009815850_100011215641 [0,1,0,1,0,0|2,0,0]=4 16407 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)N 34a_200009815850_100102525003 [0,1,0,1,0,0|2,0,0]=4 16408 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)N 7a_200009815850_100102525003 [0,1,0,1,0,0|2,0,0]=4 16409 B15R1.84 NCC1CCCCC1OCCCC(=O)N 34a_100011216029_100102525003 [0,1,0,1,0,0|2,0,0]=4 16410 B15R1.95 CCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000749056 [0,1,0,1,0,0|1,0,0]=3 16411 B15R1.95 CCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000749056 [0,1,0,1,0,0|1,0,0]=3 16412 B15R1.95 CCC1CCCC1NCCCNC(=O)C 269862a_100000736810_100000749056 [0,1,0,1,0,0|2,0,0]=4 16413 B15R1.95 CCC1CCCC1NCCCNC(=O)C 270004a_100000736810_100000749056 [0,1,0,1,0,0|2,0,0]=4 16414 B15R1.95 CCC1CCCN1CCCCCB(O)O 2230a_100000754278_200009817188 [0,1,0,1,0,0|1,0,1]=4 16415 B15R1.95 CCC1CCCN1CCCCCB(O)O 269982a_100000754278_200009817188 [0,1,0,1,0,0|1,0,1]=4 16416 B15R1.95 CCC1CCCN1CCCCCB(O)O 34a_100000754278_200009817188 [0,1,0,1,0,0|1,0,1]=4 16417 B15R1.95 CCC1CCCN1CCCCCC(=O)N 2230a_100000754278_100009817443 [0,1,0,1,0,0|1,0,0]=3 16418 B15R1.95 CCC1CCCN1CCCCCC(=O)N 269982a_100000754278_100009817443 [0,1,0,1,0,0|1,0,0]=3 16419 B15R1.95 CCC1CCCN1CCCCCC(=O)N 34a_100000754278_100009817443 [0,1,0,1,0,0|1,0,0]=3 16420 B15R1.95 CCC1CCCN1CCCCOC(=O)C 269982a_100000754278_100000033659 [0,1,0,1,0,0|2,0,0]=4 16421 B15R1.95 CCC1CCCN1CCCCOC(=O)C 34a_100000754278_100000033659 [0,1,0,1,0,0|2,0,0]=4 16422 B15R1.95 CCC1CCCN1CCCCSC(=O)C 2230a_100000754278_200010402107 [0,1,0,1,0,0|2,0,0]=4 16423 B15R1.95 CCC1CCCN1CCCCSC(=O)C 269982a_100000754278_200010402107 [0,1,0,1,0,0|2,0,0]=4 16424 B15R1.95 CCC1CCCN1CCCCSC(=O)C 34a_100000754278_200010402107 [0,1,0,1,0,0|2,0,0]=4 16425 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)C 34a_100011739246_100000685027 [0,1,0,1,0,0|2,0,0]=4 16426 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)C 7a_100011739246_100011215641 [0,1,0,1,0,0|2,0,0]=4 16427 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)N 34a_100011739246_100102525003 [0,1,0,1,0,0|2,0,0]=4 16428 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)N 7a_100011739246_100102525003 [0,1,0,1,0,0|2,0,0]=4 16429 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 16430 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 16431 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 34a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 16432 B15R1.106 CCCCCCCCN1CCCC(C1)O 2230a_100000211013_100000210759 [0,1,0,1,0,0|1,0,1]=4 16433 B15R1.106 CCCCCCCCN1CCCC(C1)O 269982a_100000211013_100000210759 [0,1,0,1,0,0|1,0,1]=4 16434 B15R1.106 CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210759 [0,1,0,1,0,0|2,0,0]=4 16435 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [0,1,0,1,0,0|2,0,0]=4 16436 B15R1.106 CCCCCCCNC1CCCC(C1)O 2230a_100015190357_100000210681 [0,1,0,1,0,0|1,0,1]=4 16437 B15R1.106 CCCCCCCNC1CCCC(C1)O 270004a_100000229938_100012613340 [0,1,0,1,0,0|1,0,1]=4 16438 B15R1.106 CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210681 [0,1,0,1,0,0|2,0,0]=4 16439 B15R1.106 CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210614 [0,1,0,1,0,0|2,0,0]=4 16440 B15R1.106 CCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210614 [0,1,0,1,0,0|2,0,0]=4 16441 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [0,1,0,1,0,0|1,0,0]=3 16442 B15R1.106 CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210614 [0,1,0,1,0,0|2,0,0]=4 16443 B15R1.106 CCCCCCNCC1CCCC(C1)O 2230a_100011254705_100000210314 [0,1,0,1,0,0|1,0,1]=4 16444 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [0,1,0,1,0,0|1,0,0]=3 16445 B15R1.106 CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210314 [0,1,0,1,0,0|2,0,0]=4 16446 B15R1.106 CCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210314 [0,1,0,1,0,0|2,0,0]=4 16447 B15R1.106 CCCCOCCOC1CCCC(=O)C1 34a_100012613340_100000743108 [0,1,0,1,0,0|2,0,0]=4 16448 B15R1.106 CCCCOCOCC1CCCC(=O)N1 34a_200000102386_100011995733 [0,1,0,1,0,0|2,0,0]=4 16449 B15R1.106 CCCOCCOCC1CCCC(=O)N1 34a_200000102386_100011215938 [0,1,0,1,0,0|2,0,0]=4 16450 B15R1.106 CCOCCCOCC1CCCC(=O)N1 34a_200000102386_100012232248 [0,1,0,1,0,0|2,0,0]=4 16451 B15R1.106 COCCCCOCC1CCCC(=O)N1 34a_200000102386_100000755781 [0,1,0,1,0,0|2,0,0]=4 16452 B15R1.106 O=C1CCCC(C1)OCCCCCCF 34a_100012613340_100015922095 [0,1,0,1,0,0|2,0,0]=4 16453 B15R1.106 O=C1CCCC(C1)OCCCCCCO 34a_100012613340_100000766143 [0,1,0,1,0,0|2,0,0]=4 16454 B15R1.106 O=C1CCCC(N1)COCCCCCF 34a_200000102386_100000729378 [0,1,0,1,0,0|2,0,0]=4 16455 B15R1.106 O=C1CCCC(N1)COCCCCCO 34a_200000102386_100000746330 [0,1,0,1,0,0|2,0,0]=4 16456 B15R1.241 C#CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100010269958 [0,1,0,1,0,0|0,0,2]=4 16457 B15R1.241 C#CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215417 [0,1,0,1,0,0|0,0,2]=4 16458 B15R1.241 C=CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215482 [0,1,0,1,0,0|0,0,2]=4 16459 B15R1.241 C=CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011713584 [0,1,0,1,0,0|0,0,2]=4 16460 B15R1.241 CC/C=C\CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100015370543 [0,1,0,1,0,0|0,0,2]=4 16461 B15R1.241 CC/C=C\CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100103147603 [0,1,0,1,0,0|0,0,2]=4 16462 B15R1.241 CCC#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009813939 [0,1,0,1,0,0|0,0,2]=4 16463 B15R1.241 CCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210314 [0,1,0,1,0,0|1,0,0]=3 16464 B15R1.241 CCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210757 [0,1,0,1,0,0|1,0,0]=3 16465 B15R1.241 CCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210314 [0,1,0,1,0,0|1,0,0]=3 16466 B15R1.241 CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210757 [0,1,0,1,0,0|0,0,0]=2 16467 B15R1.241 CCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210757 [0,1,0,1,0,0|1,0,0]=3 16468 B15R1.241 CCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210757 [0,1,0,1,0,0|1,0,0]=3 16469 B15R1.241 CCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210757 [0,1,0,1,0,0|1,0,0]=3 16470 B15R1.241 CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210326 [0,1,0,1,0,0|0,0,0]=2 16471 B15R1.241 CCCCOCN1CCCCC1C(=O)N 2230a_100000181395_100011995733 [0,1,0,1,0,0|2,0,0]=4 16472 B15R1.241 CCCCOCN1CCCCC1C(=O)N 269982a_100000181395_100011995733 [0,1,0,1,0,0|2,0,0]=4 16473 B15R1.241 CCCCOCN1CCCCC1C(=O)N 34a_100000181395_100011995733 [0,1,0,1,0,0|2,0,0]=4 16474 B15R1.241 CCCCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011995733 [0,1,0,1,0,0|1,0,0]=3 16475 B15R1.241 CCCCOCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011995733 [0,1,0,1,0,0|2,0,0]=4 16476 B15R1.241 CCCCOCN1CCSCC1C(=O)O 269956a_100011346106_100011995733 [0,1,0,1,0,0|2,0,0]=4 16477 B15R1.241 CCCCOCN1CSCCC1C(=O)O 269956a_100015185162_100011995733 [0,1,0,1,0,0|2,0,0]=4 16478 B15R1.241 CCCOCCN1CCCCC1C(=O)N 2230a_100000181395_100011215938 [0,1,0,1,0,0|2,0,0]=4 16479 B15R1.241 CCCOCCN1CCCCC1C(=O)N 269982a_100000181395_100011215938 [0,1,0,1,0,0|2,0,0]=4 16480 B15R1.241 CCCOCCN1CCCCC1C(=O)N 34a_100000181395_100011215938 [0,1,0,1,0,0|2,0,0]=4 16481 B15R1.241 CCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215938 [0,1,0,1,0,0|1,0,0]=3 16482 B15R1.241 CCCOCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011215938 [0,1,0,1,0,0|2,0,0]=4 16483 B15R1.241 CCCOCCN1CCSCC1C(=O)O 269956a_100011346106_100011215938 [0,1,0,1,0,0|2,0,0]=4 16484 B15R1.241 CCCOCCN1CSCCC1C(=O)O 269956a_100015185162_100011215938 [0,1,0,1,0,0|2,0,0]=4 16485 B15R1.241 CCOCCCN1CCCCC1C(=O)N 2230a_100000181395_100012232248 [0,1,0,1,0,0|2,0,0]=4 16486 B15R1.241 CCOCCCN1CCCCC1C(=O)N 269982a_100000181395_100012232248 [0,1,0,1,0,0|2,0,0]=4 16487 B15R1.241 CCOCCCN1CCCCC1C(=O)N 34a_100000181395_100012232248 [0,1,0,1,0,0|2,0,0]=4 16488 B15R1.241 CCOCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012232248 [0,1,0,1,0,0|1,0,0]=3 16489 B15R1.241 CCOCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100012232248 [0,1,0,1,0,0|2,0,0]=4 16490 B15R1.241 CCOCCCN1CCSCC1C(=O)O 269956a_100011346106_100012232248 [0,1,0,1,0,0|2,0,0]=4 16491 B15R1.241 CCOCCCN1CSCCC1C(=O)O 269956a_100015185162_100012232248 [0,1,0,1,0,0|2,0,0]=4 16492 B15R1.241 CCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210147 [0,1,0,1,0,0|1,0,0]=3 16493 B15R1.241 CCSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000757381 [0,1,0,1,0,0|1,0,0]=3 16494 B15R1.241 COCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000730899 [0,1,0,1,0,0|2,0,0]=4 16495 B15R1.241 COCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000730899 [0,1,0,1,0,0|2,0,0]=4 16496 B15R1.241 COCCCCN1CCCCC1C(=O)N 34a_100000181395_100000755781 [0,1,0,1,0,0|2,0,0]=4 16497 B15R1.241 COCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730899 [0,1,0,1,0,0|1,0,0]=3 16498 B15R1.241 COCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000730899 [0,1,0,1,0,0|2,0,0]=4 16499 B15R1.241 COCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000730899 [0,1,0,1,0,0|2,0,0]=4 16500 B15R1.241 COCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000730899 [0,1,0,1,0,0|2,0,0]=4 16501 B15R1.241 COCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000740836 [0,1,0,1,0,0|1,0,0]=3 16502 B15R1.241 COCCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000231047 [0,1,0,1,0,0|2,0,0]=4 16503 B15R1.241 N#CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011219923 [0,1,0,1,0,0|1,0,1]=4 16504 B15R1.241 N#CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000687738 [0,1,0,1,0,0|1,0,1]=4 16505 B15R1.241 NC(=O)C1CCCCN1CCCCCF 2230a_100000181395_100000729378 [0,1,0,1,0,0|2,0,0]=4 16506 B15R1.241 NC(=O)C1CCCCN1CCCCCF 269982a_100000181395_100000729378 [0,1,0,1,0,0|2,0,0]=4 16507 B15R1.241 NC(=O)C1CCCCN1CCCCCF 34a_100000181395_100000729378 [0,1,0,1,0,0|2,0,0]=4 16508 B15R1.241 NC(=O)C1CCCCN1CCCCCO 2230a_100000181395_100000746330 [0,1,0,1,0,0|2,0,0]=4 16509 B15R1.241 NC(=O)C1CCCCN1CCCCCO 269982a_100000181395_100000746330 [0,1,0,1,0,0|2,0,0]=4 16510 B15R1.241 NC(=O)C1CCCCN1CCCCCO 34a_100000181395_100000746330 [0,1,0,1,0,0|2,0,0]=4 16511 B15R1.241 O=C(O)C1CCSCN1CCCCCF 269956a_100015185162_100000729378 [0,1,0,1,0,0|2,0,0]=4 16512 B15R1.241 O=C(O)C1CCSCN1CCCCCO 269956a_100015185162_100000746330 [0,1,0,1,0,0|2,0,0]=4 16513 B15R1.241 O=C(O)C1CSCCN1CCCCCF 269956a_100011346106_100000729378 [0,1,0,1,0,0|2,0,0]=4 16514 B15R1.241 O=C(O)C1CSCCN1CCCCCO 269956a_100011346106_100000746330 [0,1,0,1,0,0|2,0,0]=4 16515 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCF 269956a_100009816435_100000729493 [0,1,0,1,0,0|1,0,0]=3 16516 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCO 269956a_100009816435_100000210776 [0,1,0,1,0,0|1,0,0]=3 16517 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCF 269956a_100000763471_100000729378 [0,1,0,1,0,0|1,0,0]=3 16518 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCO 269956a_100000763471_100000746330 [0,1,0,1,0,0|1,0,0]=3 16519 B15R1.241 O=C(O)[C@H]1CCCCN1CCOCCO 269956a_100000763471_100011215305 [0,1,0,1,0,0|2,0,0]=4 16520 B15R1.241 O=C(O)[C@H]1COCCN1CCCCCF 269956a_100016993156_100000729378 [0,1,0,1,0,0|2,0,0]=4 16521 B15R1.241 O=C(O)[C@H]1COCCN1CCCCCO 269956a_100016993156_100000746330 [0,1,0,1,0,0|2,0,0]=4 16522 B15R1.241 O=CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000139335 [0,1,0,1,0,0|1,0,1]=4 16523 B15R1.241 O=CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200011292268 [0,1,0,1,0,0|1,0,1]=4 16524 B15R1.255 CC(=O)CCCCOCC1CCCN1C 34a_100000743107_100009817362 [0,1,0,1,0,0|2,0,0]=4 16525 B15R1.255 CC(=O)CCCOCCC1CCCN1C 34a_100000759063_100000005710 [0,1,0,1,0,0|2,0,0]=4 16526 B15R1.255 CC(=O)CCCOCCC1CCCN1C 34a_100011215177_100000685027 [0,1,0,1,0,0|2,0,0]=4 16527 B15R1.255 CC(=O)CCCOCCC1CCCN1C 7a_100000759063_100000005710 [0,1,0,1,0,0|2,0,0]=4 16528 B15R1.255 CC(=O)CCCOCCC1CCCN1C 7a_100011215177_100011215641 [0,1,0,1,0,0|2,0,0]=4 16529 B15R1.255 CC(=O)CCCSCCC1CCCN1C 62a_100000005710_100011215641 [0,1,0,1,0,0|2,0,0]=4 16530 B15R1.255 CC(=O)CCCSCCC1CCCN1C 62a_100011215641_100000005710 [0,1,0,1,0,0|2,0,0]=4 16531 B15R1.255 CC(=O)NCCCCNC1CCCC1C 269862a_200011368371_100000752053 [0,1,0,1,0,0|2,0,0]=4 16532 B15R1.255 CC(=O)OCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009813381 [0,1,0,1,0,0|2,0,0]=4 16533 B15R1.255 CC(=O)OCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000033007 [0,1,0,1,0,0|2,0,0]=4 16534 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 2230a_100015189458_100009813381 [0,1,0,1,0,0|2,0,0]=4 16535 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 269982a_100015189458_100000033007 [0,1,0,1,0,0|2,0,0]=4 16536 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 34a_100015189458_100000033007 [0,1,0,1,0,0|2,0,0]=4 16537 B15R1.255 CC(=O)OCCCCOC1CCCC1C 34a_100011216460_100000033659 [0,1,0,1,0,0|2,0,0]=4 16538 B15R1.255 CC(=O)OCCCCOC1CCCC1C 7a_100011216460_100000033659 [0,1,0,1,0,0|2,0,0]=4 16539 B15R1.255 CC(=O)SCCCCOC1CCCC1C 34a_100011216460_200010402107 [0,1,0,1,0,0|2,0,0]=4 16540 B15R1.255 CC(=O)SCCCCOC1CCCC1C 7a_100011216460_200010402107 [0,1,0,1,0,0|2,0,0]=4 16541 B15R1.255 CC1CCCC1OCCCCCB(O)O 34a_100011216460_200009817188 [0,1,0,1,0,0|1,0,1]=4 16542 B15R1.255 CC1CCCC1OCCCCCB(O)O 7a_100011216460_200009817188 [0,1,0,1,0,0|1,0,1]=4 16543 B15R1.255 CC1CCCC1OCCCCCC(=O)N 34a_100011216460_100009817443 [0,1,0,1,0,0|1,0,0]=3 16544 B15R1.255 CC1CCCC1OCCCCCC(=O)N 7a_100011216460_100009817443 [0,1,0,1,0,0|1,0,0]=3 16545 B15R1.255 CN1CCCC1CCNCCCC(=O)N 34a_100000739312_100000005710 [0,1,0,1,0,0|2,0,0]=4 16546 B15R1.255 CN1CCCC1CCOCCCC(=O)N 34a_100011215177_100102525003 [0,1,0,1,0,0|2,0,0]=4 16547 B15R1.255 CN1CCCC1CCOCCCC(=O)N 7a_100011215177_100102525003 [0,1,0,1,0,0|2,0,0]=4 16548 B15R1.255 CN1CCCC1CCSCCCC(=O)N 62a_100000005710_100102525003 [0,1,0,1,0,0|2,0,0]=4 16549 B15R1.255 CN1CCCC1CCSCCCC(=O)N 62a_100102525003_100000005710 [0,1,0,1,0,0|2,0,0]=4 16550 B15R1.255 C[C@@H]1CCCN1CCCCCCB(O)O 2230a_100015189458_100009817187 [0,1,0,1,0,0|1,0,1]=4 16551 B15R1.255 C[C@@H]1CCCN1CCCCCCB(O)O 269982a_100015189458_100009817187 [0,1,0,1,0,0|1,0,1]=4 16552 B15R1.255 C[C@@H]1CCCN1CCCCCCB(O)O 34a_100015189458_100009817187 [0,1,0,1,0,0|1,0,1]=4 16553 B15R1.255 C[C@@H]1CNC[C@@H]1OCCCCCC(=O)N 34a_200015306588_100009817443 [0,1,0,1,0,0|2,0,0]=4 16554 B15R1.255 C[C@H]1CCCN1CCCCCCB(O)O 2230a_100020605311_100009817187 [0,1,0,1,0,0|1,0,1]=4 16555 B15R1.255 C[C@H]1CCCN1CCCCCCB(O)O 269982a_100020605311_100009817187 [0,1,0,1,0,0|1,0,1]=4 16556 B15R1.255 NC(=O)CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817443 [0,1,0,1,0,0|2,0,0]=4 16557 B15R1.255 NC(=O)CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817443 [0,1,0,1,0,0|2,0,0]=4 16558 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_100009817443_200016002552 [0,1,0,1,0,0|2,0,0]=4 16559 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009817443 [0,1,0,1,0,0|2,0,0]=4 16560 B15R1.270 COCC1CCN1CCCCCC(=O)N 2230a_100015195929_100009817443 [0,1,0,1,0,0|2,0,0]=4 16561 B15R1.270 COCC1CCN1CCCCCC(=O)N 269982a_100015195929_100009817443 [0,1,0,1,0,0|2,0,0]=4 16562 B15R1.270 COCC1CCN1CCCCCC(=O)N 34a_100015195929_100009817443 [0,1,0,1,0,0|2,0,0]=4 16563 B15R1.489 CC(=O)CCCCNCCC1CCCC1 34a_100000739158_100009817362 [0,1,0,1,0,0|1,0,0]=3 16564 B15R1.489 CC(=O)CCCCOCCC1CCCC1 34a_100000749090_100009817362 [0,1,0,1,0,0|1,0,0]=3 16565 B15R1.489 CC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000735457 [0,1,0,1,0,0|1,0,0]=3 16566 B15R1.489 CC(=O)CCCCOCCC1CCNC1 34a_100016987287_100009817362 [0,1,0,1,0,0|2,0,0]=4 16567 B15R1.489 CC(=O)CCCCOCCC1CCOC1 34a_100011879284_100009817362 [0,1,0,1,0,0|2,0,0]=4 16568 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000735457_100000760354 [0,1,0,1,0,0|1,0,0]=3 16569 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000735457 [0,1,0,1,0,0|1,0,0]=3 16570 B15R1.489 CC(=O)CCCCSCCN1CCCC1 62a_100000700749_100000735457 [0,1,0,1,0,0|2,0,0]=4 16571 B15R1.489 CC(=O)CCCCSCCN1CCCC1 62a_100000735457_100000004467 [0,1,0,1,0,0|2,0,0]=4 16572 B15R1.489 CC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000685027 [0,1,0,1,0,0|1,0,0]=3 16573 B15R1.489 CC(=O)CCCNCCOC1CCCC1 34a_100000741755_100000685027 [0,1,0,1,0,0|2,0,0]=4 16574 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100000759063_100011713738 [0,1,0,1,0,0|1,0,0]=3 16575 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000685027 [0,1,0,1,0,0|1,0,0]=3 16576 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100000759063_100011713738 [0,1,0,1,0,0|1,0,0]=3 16577 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011215641 [0,1,0,1,0,0|1,0,0]=3 16578 B15R1.489 CC(=O)CCCOCCCN1CCCC1 34a_100000759063_100016991639 [0,1,0,1,0,0|2,0,0]=4 16579 B15R1.489 CC(=O)CCCOCCCN1CCCC1 7a_100000759063_100011445909 [0,1,0,1,0,0|2,0,0]=4 16580 B15R1.489 CC(=O)CCCOCCNC1CCCC1 34a_200000200444_100000685027 [0,1,0,1,0,0|2,0,0]=4 16581 B15R1.489 CC(=O)CCCOCCOC1CCCC1 34a_100000738311_100000685027 [0,1,0,1,0,0|2,0,0]=4 16582 B15R1.489 CC(=O)CCCOCCOC1CCCC1 7a_100000738311_100011215641 [0,1,0,1,0,0|2,0,0]=4 16583 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011215641_100011713738 [0,1,0,1,0,0|1,0,0]=3 16584 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011215641 [0,1,0,1,0,0|1,0,0]=3 16585 B15R1.489 CC(=O)CCCSCCCN1CCCC1 62a_100011215641_100011445909 [0,1,0,1,0,0|2,0,0]=4 16586 B15R1.489 CC(=O)CCCSCCCN1CCCC1 62a_100016991639_100011215641 [0,1,0,1,0,0|2,0,0]=4 16587 B15R1.489 CC(=O)NCCCCCNC1CCCC1 2230a_200012022750_100000179811 [0,1,0,1,0,0|2,0,0]=4 16588 B15R1.489 CC(=O)NCCCCCNC1CCCC1 270004a_200012022750_100000210133 [0,1,0,1,0,0|2,0,0]=4 16589 B15R1.489 CC(=O)NCCCCCNC1CCCC1 34a_200012022750_100000179811 [0,1,0,1,0,0|2,0,0]=4 16590 B15R1.489 CC(=O)NCCCCNCC1CCCC1 2230a_200011368371_100000740388 [0,1,0,1,0,0|2,0,0]=4 16591 B15R1.489 CC(=O)NCCCCNCC1CCCC1 269862a_200011368371_100000746403 [0,1,0,1,0,0|2,0,0]=4 16592 B15R1.489 CC(=O)NCCCCNCC1CCCC1 34a_200011368371_100000740388 [0,1,0,1,0,0|2,0,0]=4 16593 B15R1.489 CC(=O)NCCCNCCC1CCCC1 34a_100000736810_100000760354 [0,1,0,1,0,0|2,0,0]=4 16594 B15R1.489 CC(=O)NCCCOCCC1CCCC1 34a_100000752032_100000760354 [0,1,0,1,0,0|2,0,0]=4 16595 B15R1.489 CC(=O)NCCNCCCC1CCCC1 2230a_100000209853_100011713738 [0,1,0,1,0,0|2,0,0]=4 16596 B15R1.489 CC(=O)NCCNCCCC1CCCC1 2230a_100000736752_100000189650 [0,1,0,1,0,0|2,0,0]=4 16597 B15R1.489 CC(=O)NCCOCCCC1CCCC1 34a_100000158858_100011713738 [0,1,0,1,0,0|2,0,0]=4 16598 B15R1.489 CC(=O)NCCOCCCC1CCCC1 7a_100011215328_100000189650 [0,1,0,1,0,0|2,0,0]=4 16599 B15R1.489 CC(=O)NCCSCCCC1CCCC1 62a_100000189650_100011713738 [0,1,0,1,0,0|2,0,0]=4 16600 B15R1.489 CC(=O)NCCSCCCC1CCCC1 62a_100011713738_100000189650 [0,1,0,1,0,0|2,0,0]=4 16601 B15R1.489 CC(=O)OCCCCCNC1CCCC1 2230a_100000211070_100009813381 [0,1,0,1,0,0|2,0,0]=4 16602 B15R1.489 CC(=O)OCCCCCNC1CCCC1 34a_100000211070_100000033007 [0,1,0,1,0,0|2,0,0]=4 16603 B15R1.489 CC(=O)OCCCCCOC1CCCC1 34a_100000210269_100000033007 [0,1,0,1,0,0|2,0,0]=4 16604 B15R1.489 CC(=O)OCCCCCOC1CCCC1 7a_100000210269_100000033007 [0,1,0,1,0,0|2,0,0]=4 16605 B15R1.489 CC(=O)OCCCCCSC1CCCC1 62a_100000033007_100000179811 [0,1,0,1,0,0|2,0,0]=4 16606 B15R1.489 CC(=O)OCCCCCSC1CCCC1 62a_100011217020_100000033007 [0,1,0,1,0,0|2,0,0]=4 16607 B15R1.489 CC(=O)OCCCCNCC1CCCC1 34a_100000737975_100000033659 [0,1,0,1,0,0|2,0,0]=4 16608 B15R1.489 CC(=O)OCCCCOCC1CCCC1 34a_100000073216_100000740388 [0,1,0,1,0,0|2,0,0]=4 16609 B15R1.489 CC(=O)OCCCCOCC1CCCC1 34a_100000742336_100000033659 [0,1,0,1,0,0|2,0,0]=4 16610 B15R1.489 CC(=O)OCCCCOCC1CCCC1 7a_100000073216_100000740388 [0,1,0,1,0,0|2,0,0]=4 16611 B15R1.489 CC(=O)OCCCCOCC1CCCC1 7a_100000742336_100000033659 [0,1,0,1,0,0|2,0,0]=4 16612 B15R1.489 CC(=O)OCCCCSCC1CCCC1 62a_100000033659_100000740388 [0,1,0,1,0,0|2,0,0]=4 16613 B15R1.489 CC(=O)OCCCCSCC1CCCC1 62a_100000740388_100000033659 [0,1,0,1,0,0|2,0,0]=4 16614 B15R1.489 CC(=O)OCCCNCCC1CCCC1 34a_100000739158_100000042594 [0,1,0,1,0,0|2,0,0]=4 16615 B15R1.489 CC(=O)OCCCOCCC1CCCC1 34a_100000749090_100000042594 [0,1,0,1,0,0|2,0,0]=4 16616 B15R1.489 CC(=O)OCCCOCCC1CCCC1 7a_100000749090_100000042594 [0,1,0,1,0,0|2,0,0]=4 16617 B15R1.489 CC(=O)OCCCSCCC1CCCC1 62a_100000042594_100000760354 [0,1,0,1,0,0|2,0,0]=4 16618 B15R1.489 CC(=O)OCCCSCCC1CCCC1 62a_100000760354_100000042594 [0,1,0,1,0,0|2,0,0]=4 16619 B15R1.489 CC(=O)OCCNCCCC1CCCC1 34a_100000736752_100009814007 [0,1,0,1,0,0|2,0,0]=4 16620 B15R1.489 CC(=O)OCCOCCCC1CCCC1 34a_100011215328_100009814007 [0,1,0,1,0,0|2,0,0]=4 16621 B15R1.489 CC(=O)OCCOCCCC1CCCC1 7a_100011215328_100009814007 [0,1,0,1,0,0|2,0,0]=4 16622 B15R1.489 CC(=O)OCCSCCCC1CCCC1 62a_100009814007_100011713738 [0,1,0,1,0,0|2,0,0]=4 16623 B15R1.489 CC(=O)OCCSCCCC1CCCC1 62a_100011713738_100009814007 [0,1,0,1,0,0|2,0,0]=4 16624 B15R1.489 CC(=O)SCCCCNCC1CCCC1 2230a_100000737975_200010402107 [0,1,0,1,0,0|2,0,0]=4 16625 B15R1.489 CC(=O)SCCCCNCC1CCCC1 34a_100000737975_200010402107 [0,1,0,1,0,0|2,0,0]=4 16626 B15R1.489 CC(=O)SCCCCOCC1CCCC1 34a_100000742336_200010402107 [0,1,0,1,0,0|2,0,0]=4 16627 B15R1.489 CC(=O)SCCCCOCC1CCCC1 7a_100000742336_200010402107 [0,1,0,1,0,0|2,0,0]=4 16628 B15R1.489 CC(=O)SCCCCSCC1CCCC1 62a_100000740388_200010402107 [0,1,0,1,0,0|2,0,0]=4 16629 B15R1.489 CC(=O)SCCCCSCC1CCCC1 62a_200010402107_100000740388 [0,1,0,1,0,0|2,0,0]=4 16630 B15R1.489 CC(=O)SCCCNCCC1CCCC1 2230a_100000739158_100000038929 [0,1,0,1,0,0|2,0,0]=4 16631 B15R1.489 CC(=O)SCCCNCCC1CCCC1 34a_100000739158_100000038929 [0,1,0,1,0,0|2,0,0]=4 16632 B15R1.489 CC(=O)SCCCOCCC1CCCC1 34a_100000749090_100000038929 [0,1,0,1,0,0|2,0,0]=4 16633 B15R1.489 CC(=O)SCCCOCCC1CCCC1 7a_100000749090_100000038929 [0,1,0,1,0,0|2,0,0]=4 16634 B15R1.489 CC(=O)SCCCSCCC1CCCC1 62a_100000038929_100000760354 [0,1,0,1,0,0|2,0,0]=4 16635 B15R1.489 CC(=O)SCCCSCCC1CCCC1 62a_100000760354_100000038929 [0,1,0,1,0,0|2,0,0]=4 16636 B15R1.489 CC(O)CCCNCCCC1CCCC1 2230a_100000736752_200000718107 [0,1,0,1,0,0|1,0,1]=4 16637 B15R1.489 CC(O)CCCNCCCC1CCCC1 34a_100000736752_200000718107 [0,1,0,1,0,0|1,0,1]=4 16638 B15R1.489 CC(O)CCCOCCCC1CCCC1 34a_100011215328_200000718107 [0,1,0,1,0,0|1,0,1]=4 16639 B15R1.489 CC(O)CCCOCCCC1CCCC1 7a_100011215328_200000718107 [0,1,0,1,0,0|1,0,1]=4 16640 B15R1.489 CC(O)CCCSCCCC1CCCC1 62a_100011713738_200000718107 [0,1,0,1,0,0|1,0,1]=4 16641 B15R1.489 CC(O)CCCSCCCC1CCCC1 62a_200000718107_100011713738 [0,1,0,1,0,0|1,0,1]=4 16642 B15R1.489 CS(=O)CCCNCCCC1CCCC1 2230a_200000753449_100011713738 [0,1,0,1,0,0|2,0,0]=4 16643 B15R1.489 NC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100009817443 [0,1,0,1,0,0|1,0,0]=3 16644 B15R1.489 NC(=O)CCCCCNCC1CCCC1 34a_100000737975_100009817443 [0,1,0,1,0,0|1,0,0]=3 16645 B15R1.489 NC(=O)CCCCCNCC1CCOC1 2230a_100000737293_100009817443 [0,1,0,1,0,0|2,0,0]=4 16646 B15R1.489 NC(=O)CCCCCNCC1CCOC1 34a_100000737293_100009817443 [0,1,0,1,0,0|2,0,0]=4 16647 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009817443 [0,1,0,1,0,0|2,0,0]=4 16648 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 34a_100020590478_100009817443 [0,1,0,1,0,0|2,0,0]=4 16649 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000123541_100000740388 [0,1,0,1,0,0|1,0,0]=3 16650 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000742336_100009817443 [0,1,0,1,0,0|1,0,0]=3 16651 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000123541_100000740388 [0,1,0,1,0,0|1,0,0]=3 16652 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000742336_100009817443 [0,1,0,1,0,0|1,0,0]=3 16653 B15R1.489 NC(=O)CCCCCOCC1CCCO1 34a_100000210270_100009817443 [0,1,0,1,0,0|2,0,0]=4 16654 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000123541_100000203698 [0,1,0,1,0,0|2,0,0]=4 16655 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000210270_100009817443 [0,1,0,1,0,0|2,0,0]=4 16656 B15R1.489 NC(=O)CCCCCOCC1CCNC1 34a_100000748654_100009817443 [0,1,0,1,0,0|2,0,0]=4 16657 B15R1.489 NC(=O)CCCCCOCC1CCOC1 34a_100000123541_100011261433 [0,1,0,1,0,0|2,0,0]=4 16658 B15R1.489 NC(=O)CCCCCOCC1CCOC1 34a_100000740260_100009817443 [0,1,0,1,0,0|2,0,0]=4 16659 B15R1.489 NC(=O)CCCCCOCC1CCOC1 7a_100000123541_100000702531 [0,1,0,1,0,0|2,0,0]=4 16660 B15R1.489 NC(=O)CCCCCOC[C@H]1CCCN1 34a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 16661 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100000740388_100009817443 [0,1,0,1,0,0|1,0,0]=3 16662 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100009817443_100000740388 [0,1,0,1,0,0|1,0,0]=3 16663 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100000203698_100009817443 [0,1,0,1,0,0|2,0,0]=4 16664 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100009817443_100000203698 [0,1,0,1,0,0|2,0,0]=4 16665 B15R1.489 NC(=O)CCCCCSCC1CCOC1 62a_100000702531_100009817443 [0,1,0,1,0,0|2,0,0]=4 16666 B15R1.489 NC(=O)CCCCCSCC1CCOC1 62a_100009817443_100000702531 [0,1,0,1,0,0|2,0,0]=4 16667 B15R1.489 NC(=O)CCCCNCCC1CCCC1 34a_100000696515_100000760354 [0,1,0,1,0,0|1,0,0]=3 16668 B15R1.489 NC(=O)CCCCOCCC1CCCC1 34a_100012022536_100000760354 [0,1,0,1,0,0|1,0,0]=3 16669 B15R1.489 NC(=O)CCCCOCCC1CCCC1 7a_100012022536_100000760354 [0,1,0,1,0,0|1,0,0]=3 16670 B15R1.489 NC(=O)CCCCOCCN1CCCC1 7a_100012022536_100000004467 [0,1,0,1,0,0|2,0,0]=4 16671 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000736752_100102525003 [0,1,0,1,0,0|1,0,0]=3 16672 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000739312_100011713738 [0,1,0,1,0,0|1,0,0]=3 16673 B15R1.489 NC(=O)CCCNCCCN1CCCC1 34a_100000739312_100016991639 [0,1,0,1,0,0|2,0,0]=4 16674 B15R1.489 NC(=O)CCCNCCOC1CCCC1 34a_100000741755_100102525003 [0,1,0,1,0,0|2,0,0]=4 16675 B15R1.489 NC(=O)CCCOCCCC1CCCC1 34a_100011215328_100102525003 [0,1,0,1,0,0|1,0,0]=3 16676 B15R1.489 NC(=O)CCCOCCCC1CCCC1 7a_100011215328_100102525003 [0,1,0,1,0,0|1,0,0]=3 16677 B15R1.489 NC(=O)CCCOCCNC1CCCC1 34a_200000200444_100102525003 [0,1,0,1,0,0|2,0,0]=4 16678 B15R1.489 NC(=O)CCCOCCOC1CCCC1 34a_100000738311_100102525003 [0,1,0,1,0,0|2,0,0]=4 16679 B15R1.489 NC(=O)CCCOCCOC1CCCC1 7a_100000738311_100102525003 [0,1,0,1,0,0|2,0,0]=4 16680 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100011713738_100102525003 [0,1,0,1,0,0|1,0,0]=3 16681 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100102525003_100011713738 [0,1,0,1,0,0|1,0,0]=3 16682 B15R1.489 NC(=O)CCCSCCCN1CCCC1 62a_100016991639_100102525003 [0,1,0,1,0,0|2,0,0]=4 16683 B15R1.489 NC(=O)CCCSCCCN1CCCC1 62a_100102525003_100011445909 [0,1,0,1,0,0|2,0,0]=4 16684 B15R1.489 NC(=O)CCNCCCOC1CCCC1 34a_100000747560_100000731001 [0,1,0,1,0,0|2,0,0]=4 16685 B15R1.489 NC(=O)COCCNCCC1CCCC1 2230a_100000739158_100000076697 [0,1,0,1,0,0|2,0,0]=4 16686 B15R1.489 NC(=O)COCCNCCC1CCCC1 34a_100000739158_100000076697 [0,1,0,1,0,0|2,0,0]=4 16687 B15R1.489 NC(=O)COCCOCCC1CCCC1 34a_100000749090_100000076697 [0,1,0,1,0,0|2,0,0]=4 16688 B15R1.489 NC(=O)COCCOCCC1CCCC1 7a_100000749090_100000076697 [0,1,0,1,0,0|2,0,0]=4 16689 B15R1.489 NC(=O)COCCSCCC1CCCC1 62a_100000076697_100000760354 [0,1,0,1,0,0|2,0,0]=4 16690 B15R1.489 NC(=O)COCCSCCC1CCCC1 62a_100000760354_100000076697 [0,1,0,1,0,0|2,0,0]=4 16691 B15R1.489 NC(=O)NCCNCCCC1CCCC1 2230a_100000736752_200000034859 [0,1,0,1,0,0|2,0,0]=4 16692 B15R1.489 NC(=O)NCCNCCCC1CCCC1 34a_100020590234_100011713738 [0,1,0,1,0,0|2,0,0]=4 16693 B15R1.489 NC(=O)NCCOCCCC1CCCC1 34a_100000181757_100011713738 [0,1,0,1,0,0|2,0,0]=4 16694 B15R1.489 NC(=O)NCCOCCCC1CCCC1 7a_100011215328_200000034859 [0,1,0,1,0,0|2,0,0]=4 16695 B15R1.489 NC(=O)NCCSCCCC1CCCC1 62a_100011713738_200000034859 [0,1,0,1,0,0|2,0,0]=4 16696 B15R1.489 NC(=O)NCCSCCCC1CCCC1 62a_200000034859_100011713738 [0,1,0,1,0,0|2,0,0]=4 16697 B15R1.489 NC(=O)OCCNCCCC1CCCC1 34a_100000736752_200011214921 [0,1,0,1,0,0|2,0,0]=4 16698 B15R1.489 NC(=O)OCCOCCCC1CCCC1 34a_100011215328_200011214921 [0,1,0,1,0,0|2,0,0]=4 16699 B15R1.489 NC(=O)OCCOCCCC1CCCC1 7a_100000766696_100011713738 [0,1,0,1,0,0|2,0,0]=4 16700 B15R1.489 NC(=O)OCCOCCCC1CCCC1 7a_100011215328_200011214921 [0,1,0,1,0,0|2,0,0]=4 16701 B15R1.489 NC(=O)OCCSCCCC1CCCC1 62a_100011713738_200011214921 [0,1,0,1,0,0|2,0,0]=4 16702 B15R1.489 NC(=O)OCCSCCCC1CCCC1 62a_200011214921_100011713738 [0,1,0,1,0,0|2,0,0]=4 16703 B15R1.489 O=C(O)COCCNCCC1CCCC1 269956a_100000700818_100000760354 [0,1,0,1,0,0|1,0,0]=3 16704 B15R1.489 O=C(O)COCCNCCN1CCCC1 269956a_100000700818_100000004467 [0,1,0,1,0,0|2,0,0]=4 16705 B15R1.489 O=C([O-])CCCCCOCC1CCCC1 7a_100102619762_100000740388 [0,1,0,1,0,0|0,0,1]=3 16706 B15R1.489 O=C([O-])CCCCCOCC1CCCO1 7a_100102619762_100000203698 [0,1,0,1,0,0|1,0,1]=4 16707 B15R1.489 O=C([O-])CCCCCOCC1CCOC1 7a_100102619762_100000702531 [0,1,0,1,0,0|1,0,1]=4 16708 B15R1.489 O=[N+]([O-])CCCCOCCC1CCCC1 34a_200015379883_100000760354 [0,1,0,1,0,0|1,0,1]=4 16709 B15R1.489 O=[N+]([O-])CCCCOCCC1CCCC1 7a_200015379883_100000760354 [0,1,0,1,0,0|1,0,1]=4 16710 B15R1.489 O=[N+]([O-])CCCOCCCC1CCCC1 34a_200000037920_100011713738 [0,1,0,1,0,0|1,0,1]=4 16711 B15R1.489 OB(O)CCCCCCNC1CCCC1 2230a_100000211070_100009817187 [0,1,0,1,0,0|1,0,1]=4 16712 B15R1.489 OB(O)CCCCCCNC1CCCC1 34a_100000211070_100009817187 [0,1,0,1,0,0|1,0,1]=4 16713 B15R1.489 OB(O)CCCCCCOC1CCCC1 34a_100000210269_100009817187 [0,1,0,1,0,0|1,0,1]=4 16714 B15R1.489 OB(O)CCCCCCOC1CCCC1 7a_100000210269_100009817187 [0,1,0,1,0,0|1,0,1]=4 16715 B15R1.489 OB(O)CCCCCCSC1CCCC1 62a_100009817187_100000179811 [0,1,0,1,0,0|1,0,1]=4 16716 B15R1.489 OB(O)CCCCCCSC1CCCC1 62a_100011217020_100009817187 [0,1,0,1,0,0|1,0,1]=4 16717 B15R1.489 OB(O)CCCCCNCC1CCCC1 2230a_100000737975_200009817188 [0,1,0,1,0,0|1,0,1]=4 16718 B15R1.489 OB(O)CCCCCNCC1CCCC1 34a_100000737975_200009817188 [0,1,0,1,0,0|1,0,1]=4 16719 B15R1.489 OB(O)CCCCCOCC1CCCC1 34a_100000742336_200009817188 [0,1,0,1,0,0|1,0,1]=4 16720 B15R1.489 OB(O)CCCCCOCC1CCCC1 7a_100000742336_200009817188 [0,1,0,1,0,0|1,0,1]=4 16721 B15R1.489 OB(O)CCCCCSCC1CCCC1 62a_100000740388_200009817188 [0,1,0,1,0,0|1,0,1]=4 16722 B15R1.489 OB(O)CCCCCSCC1CCCC1 62a_200009817188_100000740388 [0,1,0,1,0,0|1,0,1]=4 16723 B15R1.489 OB(O)CCCCNCCC1CCCC1 2230a_100000739158_200009817182 [0,1,0,1,0,0|1,0,1]=4 16724 B15R1.489 OB(O)CCCCNCCC1CCCC1 34a_100000739158_200009817182 [0,1,0,1,0,0|1,0,1]=4 16725 B15R1.489 OB(O)CCCCOCCC1CCCC1 34a_100000749090_200009817182 [0,1,0,1,0,0|1,0,1]=4 16726 B15R1.489 OB(O)CCCCOCCC1CCCC1 7a_100000749090_200009817182 [0,1,0,1,0,0|1,0,1]=4 16727 B15R1.489 OB(O)CCCCSCCC1CCCC1 62a_100000760354_200009817182 [0,1,0,1,0,0|1,0,1]=4 16728 B15R1.489 OB(O)CCCCSCCC1CCCC1 62a_200009817182_100000760354 [0,1,0,1,0,0|1,0,1]=4 16729 B15R1.589 C=C(C)CCOC1CCCCC1CCC 34a_100011217265_100000730704 [0,1,0,1,0,0|2,0,0]=4 16730 B15R1.589 C=C(C)CCOC1CCCCC1CCC 7a_100011217265_100000730704 [0,1,0,1,0,0|2,0,0]=4 16731 B15R1.589 CC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100011215641 [0,1,0,1,0,0|2,0,0]=4 16732 B15R1.589 CC(=O)CCCN1CCCCC1CCO 34a_100000211664_100000685027 [0,1,0,1,0,0|2,0,0]=4 16733 B15R1.589 CCCC1CCCCC1NCCC(=O)N 269862a_100000740010_100011218038 [0,1,0,1,0,0|1,0,0]=3 16734 B15R1.589 CCCC1CCCCC1NCCC(C)O 269862a_200000755665_100011218038 [0,1,0,1,0,0|1,0,1]=4 16735 B15R1.589 CCCC1CCCCC1NCCC(C)O 270004a_200000755665_100011218038 [0,1,0,1,0,0|1,0,1]=4 16736 B15R1.589 CCCC1CCCCC1OCCC(=O)C 7a_100011217265_100000053229 [0,1,0,1,0,0|1,0,0]=3 16737 B15R1.589 CCCC1CCCCC1OCCC(=O)N 34a_100011217265_100000731001 [0,1,0,1,0,0|1,0,0]=3 16738 B15R1.589 CCCC1CCCCC1OCCC(=O)N 7a_100011217265_100000744528 [0,1,0,1,0,0|1,0,0]=3 16739 B15R1.589 CCCC1CCCCC1OCCC(C)O 34a_100011217265_100012276601 [0,1,0,1,0,0|1,0,1]=4 16740 B15R1.589 CCCC1CCCCC1OCCC(C)O 7a_100011217265_100012276601 [0,1,0,1,0,0|1,0,1]=4 16741 B15R1.589 CCCC1CCCCC1OCOC(=O)C 34a_100011217265_100009813279 [0,1,0,1,0,0|2,0,0]=4 16742 B15R1.589 CCCC1CCCCN1CCCC(=O)C 269982a_100000701414_100011215641 [0,1,0,1,0,0|1,0,0]=3 16743 B15R1.589 CCCC1CCCCN1CCCC(=O)C 34a_100000701414_100000685027 [0,1,0,1,0,0|1,0,0]=3 16744 B15R1.589 CCCC1CCCCN1CCCC(=O)N 269982a_100000701414_100102525003 [0,1,0,1,0,0|1,0,0]=3 16745 B15R1.589 CCCC1CCCCN1CCCC(=O)N 34a_100000701414_100102525003 [0,1,0,1,0,0|1,0,0]=3 16746 B15R1.589 CCCC1CCCCN1CCCC(C)O 2230a_100000701414_200000718107 [0,1,0,1,0,0|1,0,1]=4 16747 B15R1.589 CCCC1CCCCN1CCCC(C)O 269982a_100000701414_200000718107 [0,1,0,1,0,0|1,0,1]=4 16748 B15R1.589 CCCC1CCCCN1CCCC(C)O 34a_100000701414_200000718107 [0,1,0,1,0,0|1,0,1]=4 16749 B15R1.589 CCCC1CCCCN1CCNC(=O)C 2230a_100000701414_100000189650 [0,1,0,1,0,0|2,0,0]=4 16750 B15R1.589 CCCC1CCCCN1CCNC(=O)C 269982a_100000701414_100000189650 [0,1,0,1,0,0|2,0,0]=4 16751 B15R1.589 CCCC1CCCCN1CCNC(=O)N 2230a_100000701414_200000034859 [0,1,0,1,0,0|2,0,0]=4 16752 B15R1.589 CCCC1CCCCN1CCNC(=O)N 269982a_100000701414_200000034859 [0,1,0,1,0,0|2,0,0]=4 16753 B15R1.589 CCCC1CCCCN1CCOC(=O)C 269982a_100000701414_100009814007 [0,1,0,1,0,0|2,0,0]=4 16754 B15R1.589 CCCC1CCCCN1CCOC(=O)C 34a_100000701414_100009814007 [0,1,0,1,0,0|2,0,0]=4 16755 B15R1.589 CCCC1CCCCN1CCOC(=O)N 269982a_100000701414_200011214921 [0,1,0,1,0,0|2,0,0]=4 16756 B15R1.589 CCCC1CCCCN1CCOC(=O)N 34a_100000701414_200011214921 [0,1,0,1,0,0|2,0,0]=4 16757 B15R1.589 CCCC1COCCN1CCCC(=O)C 269982a_102495339903_100011215641 [0,1,0,1,0,0|2,0,0]=4 16758 B15R1.589 CCCC1COCCN1CCCC(=O)C 34a_102495339903_100000685027 [0,1,0,1,0,0|2,0,0]=4 16759 B15R1.589 CCCC1COCCN1CCCC(=O)N 269982a_102495339903_100102525003 [0,1,0,1,0,0|2,0,0]=4 16760 B15R1.589 CCCC1COCCN1CCCC(=O)N 34a_102495339903_100102525003 [0,1,0,1,0,0|2,0,0]=4 16761 B15R1.589 CCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210303 [0,1,0,1,0,0|2,0,0]=4 16762 B15R1.589 CCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210303 [0,1,0,1,0,0|2,0,0]=4 16763 B15R1.589 CCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210303 [0,1,0,1,0,0|2,0,0]=4 16764 B15R1.589 COCC1CCCCN1CCCC(=O)C 269982a_100015184032_100011215641 [0,1,0,1,0,0|2,0,0]=4 16765 B15R1.589 COCC1CCCCN1CCCC(=O)C 34a_100015184032_100000685027 [0,1,0,1,0,0|2,0,0]=4 16766 B15R1.589 COCC1CCCCN1CCCC(=O)N 269982a_100015184032_100102525003 [0,1,0,1,0,0|2,0,0]=4 16767 B15R1.589 COCC1CCCCN1CCCC(=O)N 34a_100015184032_100102525003 [0,1,0,1,0,0|2,0,0]=4 16768 B15R1.589 NC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100102525003 [0,1,0,1,0,0|2,0,0]=4 16769 B15R1.589 NC(=O)CCCN1CCCCC1CCO 34a_100000211664_100102525003 [0,1,0,1,0,0|2,0,0]=4 16770 B15R1.604 CCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000723119 [0,1,0,1,0,0|1,0,0]=3 16771 B15R1.604 CCCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000723119 [0,1,0,1,0,0|2,0,0]=4 16772 B15R1.604 CCCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000723119 [0,1,0,1,0,0|2,0,0]=4 16773 B15R1.604 CCCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000723119 [0,1,0,1,0,0|2,0,0]=4 16774 B15R1.604 CCCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000723119 [0,1,0,1,0,0|2,0,0]=4 16775 B15R1.604 CCCN1CCCC1COCCC(=O)C 7a_200000694710_100000053229 [0,1,0,1,0,0|2,0,0]=4 16776 B15R1.604 CCCN1CCCC1COCCC(=O)N 34a_200000694710_100000731001 [0,1,0,1,0,0|2,0,0]=4 16777 B15R1.604 CCCN1CCCC1COCCC(=O)N 7a_200000694710_100000744528 [0,1,0,1,0,0|2,0,0]=4 16778 B15R1.604 COC[C@@H]1CCCN1CCCCC(=O)C 269982a_100020646714_100000735457 [0,1,0,1,0,0|2,0,0]=4 16779 B15R1.604 COC[C@@H]1CCCN1CCCCC(=O)C 34a_100020646714_100009817362 [0,1,0,1,0,0|2,0,0]=4 16780 B15R1.1051 C#CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000688953 [0,1,0,1,0,0|0,0,2]=4 16781 B15R1.1051 C/C=C/CN1CCCCC1CCC(=O)O 269956a_100000694054_100102629194 [0,1,0,1,0,0|0,0,2]=4 16782 B15R1.1051 C=CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000754431 [0,1,0,1,0,0|0,0,2]=4 16783 B15R1.1051 CC#CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000748600 [0,1,0,1,0,0|0,0,2]=4 16784 B15R1.1051 CC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000053229 [0,1,0,1,0,0|2,0,0]=4 16785 B15R1.1051 CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210211 [0,1,0,1,0,0|0,0,0]=2 16786 B15R1.1051 CCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100000739092 [0,1,0,1,0,0|1,0,0]=3 16787 B15R1.1051 COCCC1CCCCN1CCC(=O)C 269982a_100015186528_100000053229 [0,1,0,1,0,0|2,0,0]=4 16788 B15R1.1051 COCCC1CCCCN1CCC(=O)N 2230a_100015186528_100000744528 [0,1,0,1,0,0|2,0,0]=4 16789 B15R1.1051 COCCC1CCCCN1CCC(=O)N 269982a_100015186528_100000744528 [0,1,0,1,0,0|2,0,0]=4 16790 B15R1.1051 COCCC1CCCCN1CCC(=O)N 34a_100015186528_100000731001 [0,1,0,1,0,0|2,0,0]=4 16791 B15R1.1051 COCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000233755 [0,1,0,1,0,0|1,0,0]=3 16792 B15R1.1051 CSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000212216 [0,1,0,1,0,0|1,0,0]=3 16793 B15R1.1051 N#CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215226 [0,1,0,1,0,0|1,0,1]=4 16794 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100000744528 [0,1,0,1,0,0|2,0,0]=4 16795 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000744528 [0,1,0,1,0,0|2,0,0]=4 16796 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 34a_100011934581_100000731001 [0,1,0,1,0,0|2,0,0]=4 16797 B15R1.1051 O=C(O)CCC1CCCCN1CCCF 269956a_100000694054_100011934791 [0,1,0,1,0,0|1,0,0]=3 16798 B15R1.1051 O=C(O)CCC1CCCCN1CCCO 269956a_100000694054_100011215043 [0,1,0,1,0,0|1,0,0]=3 16799 B15R1.1068 CCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000750825 [0,1,0,1,0,0|1,0,0]=3 16800 B15R1.1068 CCCCC1CCCC1NCCC(C)O 269862a_200000755665_100000750825 [0,1,0,1,0,0|1,0,1]=4 16801 B15R1.1068 CCCCC1CCCC1NCCC(C)O 270004a_200000755665_100000750825 [0,1,0,1,0,0|1,0,1]=4 16802 B15R1.1168 C=C1CC(C1)CNCCCCCCCC 2230a_100102567296_100000210759 [0,1,0,1,0,0|2,0,0]=4 16803 B15R1.1168 C=C1CC(C1)CNCCCCCCCC 34a_100102567296_100000210759 [0,1,0,1,0,0|2,0,0]=4 16804 B15R1.1168 C=C1CC(C1)COCCCCCCCC 34a_100011011225_100000210759 [0,1,0,1,0,0|2,0,0]=4 16805 B15R1.1168 C=C1CC(C1)NCCCCCCCCC 2230a_100132301982_100011214924 [0,1,0,1,0,0|2,0,0]=4 16806 B15R1.1168 CCCCCCCCCCN1CC(C1)O 269982a_100000749847_100000210320 [0,1,0,1,0,0|1,0,1]=4 16807 B15R1.1168 CCCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011214924 [0,1,0,1,0,0|1,0,1]=4 16808 B15R1.1168 CCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210670 [0,1,0,1,0,0|1,0,0]=3 16809 B15R1.1168 CCCCCCCCNCC1CC(=O)C1 2230a_100000229939_100009874392 [0,1,0,1,0,0|1,0,0]=3 16810 B15R1.1168 CCCCCCCCNCC1CC(C1)O 2230a_100016992100_100000210759 [0,1,0,1,0,0|1,0,1]=4 16811 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210759 [0,1,0,1,0,0|1,0,0]=3 16812 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 7a_100000210232_100009874392 [0,1,0,1,0,0|1,0,0]=3 16813 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100000210759_100009874392 [0,1,0,1,0,0|1,0,0]=3 16814 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210317 [0,1,0,1,0,0|1,0,0]=3 16815 B15R1.1168 CCCCCOCCOCC1CC(=O)C1 7a_100011215259_100009874392 [0,1,0,1,0,0|2,0,0]=4 16816 B15R1.1168 CCCCOCCCNCC1CC(=O)C1 2230a_200000211371_100009874392 [0,1,0,1,0,0|2,0,0]=4 16817 B15R1.1168 CCCCOCCCOCC1CC(=O)C1 7a_200011215613_100009874392 [0,1,0,1,0,0|2,0,0]=4 16818 B15R1.1168 COCCCCCCOCC1CC(=O)C1 34a_100000101936_100011998445 [0,1,0,1,0,0|2,0,0]=4 16819 B15R1.1168 COCCCCCCOCC1CC(=O)C1 7a_200012092642_100009874392 [0,1,0,1,0,0|2,0,0]=4 16820 B15R1.1168 COCCCCCCSCC1CC(=O)C1 62a_100009874392_100011998445 [0,1,0,1,0,0|2,0,0]=4 16821 B15R1.1168 COCCCCCCSCC1CC(=O)C1 62a_100011998445_100009874392 [0,1,0,1,0,0|2,0,0]=4 16822 B15R1.1168 O=C1CC(C1)CNCCCCCCCO 2230a_100011996573_100009874392 [0,1,0,1,0,0|2,0,0]=4 16823 B15R1.1168 O=C1CC(C1)COCCCCCCCBr 7a_100000760002_100009874392 [0,1,0,1,0,0|2,0,0]=4 16824 B15R1.1168 O=C1CC(C1)COCCCCCCCO 34a_100000101936_100000760002 [0,1,0,1,0,0|2,0,0]=4 16825 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100000760002_100009874392 [0,1,0,1,0,0|2,0,0]=4 16826 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100009874392_100000760002 [0,1,0,1,0,0|2,0,0]=4 16827 B15R1.1168 O=C1CC(C1)SCCCCCCCCO 62a_100009894365_100000033203 [0,1,0,1,0,0|2,0,0]=4 16828 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210326 [0,1,0,1,0,0|1,0,0]=3 16829 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210215 [0,1,0,1,0,0|1,0,0]=3 16830 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000718602 [0,1,0,1,0,0|1,0,0]=3 16831 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 2230a_100015184752_100011215890 [0,1,0,1,0,0|2,0,0]=4 16832 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 269982a_100015184752_100011215890 [0,1,0,1,0,0|2,0,0]=4 16833 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 34a_100015184752_100000210147 [0,1,0,1,0,0|2,0,0]=4 16834 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 2230a_100015184752_100000757381 [0,1,0,1,0,0|2,0,0]=4 16835 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 269982a_100015184752_100000757381 [0,1,0,1,0,0|2,0,0]=4 16836 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 34a_100015184752_100000757381 [0,1,0,1,0,0|2,0,0]=4 16837 B15R1.1188 COCCCC1CCCCN1CC(=O)N 2230a_100011804088_100000747473 [0,1,0,1,0,0|2,0,0]=4 16838 B15R1.1188 COCCCC1CCCCN1CC(=O)N 269982a_100011804088_100000187820 [0,1,0,1,0,0|2,0,0]=4 16839 B15R1.1188 COCCCC1CCCCN1CC(=O)N 34a_100011804088_100000187820 [0,1,0,1,0,0|2,0,0]=4 16840 B15R1.1188 COCCCC1CCCCN1CC(=O)[O-] 269982a_100011804088_100020667443 [0,1,0,1,0,0|1,0,1]=4 16841 B15R1.1188 COCCCC1CCCCN1CC(=O)[O-] 34a_100011804088_100020667443 [0,1,0,1,0,0|1,0,1]=4 16842 B15R1.1188 COCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000740836 [0,1,0,1,0,0|2,0,0]=4 16843 B15R1.1188 COCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000740836 [0,1,0,1,0,0|2,0,0]=4 16844 B15R1.1188 COCCCN1CCCCC1CC(=O)N 34a_100015184752_100000740836 [0,1,0,1,0,0|2,0,0]=4 16845 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 2230a_100015184752_100000729493 [0,1,0,1,0,0|2,0,0]=4 16846 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 269982a_100015184752_100000729493 [0,1,0,1,0,0|2,0,0]=4 16847 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 34a_100015184752_100000729493 [0,1,0,1,0,0|2,0,0]=4 16848 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 2230a_100015184752_100000210776 [0,1,0,1,0,0|2,0,0]=4 16849 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 269982a_100015184752_100000210776 [0,1,0,1,0,0|2,0,0]=4 16850 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 34a_100015184752_100011216708 [0,1,0,1,0,0|2,0,0]=4 16851 B15R1.1201 CCCCCC1CCCC1NCC(C)O 269862a_100000210904_200000198059 [0,1,0,1,0,0|1,0,1]=4 16852 B15R1.1201 CCCCCC1CCCC1NCC(C)O 270004a_100000210904_200000198059 [0,1,0,1,0,0|1,0,1]=4 16853 B15R1.1949 CCCCCCCN1CCCCC(C1)O 2230a_100025706797_100000210681 [0,1,0,1,0,0|1,0,1]=4 16854 B15R1.1949 CCCCCCCN1CCCCC(C1)O 269982a_100025706797_100000210681 [0,1,0,1,0,0|1,0,1]=4 16855 B15R1.1949 CCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210681 [0,1,0,1,0,0|2,0,0]=4 16856 B15R1.3525 C#CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012094781 [0,1,0,1,0,0|0,0,2]=4 16857 B15R1.3525 C=CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000700193 [0,1,0,1,0,0|0,0,2]=4 16858 B15R1.3525 CCCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210614 [0,1,0,1,0,0|0,0,2]=4 16859 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210681 [0,1,0,1,0,0|1,0,0]=3 16860 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210614 [0,1,0,1,0,0|0,0,0]=2 16861 B15R1.3525 CCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210614 [0,1,0,1,0,0|1,0,0]=3 16862 B15R1.3525 CCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210614 [0,1,0,1,0,0|1,0,0]=3 16863 B15R1.3525 CCCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000718602 [0,1,0,1,0,0|2,0,0]=4 16864 B15R1.3525 CCCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210326 [0,1,0,1,0,0|2,0,0]=4 16865 B15R1.3525 CCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000718602 [0,1,0,1,0,0|2,0,0]=4 16866 B15R1.3525 CCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210326 [0,1,0,1,0,0|2,0,0]=4 16867 B15R1.3525 CCCCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000743108 [0,1,0,1,0,0|2,0,0]=4 16868 B15R1.3525 CCCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000743108 [0,1,0,1,0,0|1,0,0]=3 16869 B15R1.3525 CCCCOCCN1CCSC1C(=O)O 269956a_100000035718_100000743108 [0,1,0,1,0,0|2,0,0]=4 16870 B15R1.3525 CCCCOCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000743108 [0,1,0,1,0,0|2,0,0]=4 16871 B15R1.3525 COCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000695917 [0,1,0,1,0,0|2,0,0]=4 16872 B15R1.3525 N#CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009813376 [0,1,0,1,0,0|1,0,1]=4 16873 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCF 2230a_100000003125_100015922095 [0,1,0,1,0,0|2,0,0]=4 16874 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100000003125_100000766143 [0,1,0,1,0,0|2,0,0]=4 16875 B15R1.3525 O=C(O)C1SCCN1CCCCCCF 269956a_100000035718_100015922095 [0,1,0,1,0,0|2,0,0]=4 16876 B15R1.3525 O=C(O)C1SCCN1CCCCCCO 269956a_100000035718_100000766143 [0,1,0,1,0,0|2,0,0]=4 16877 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCF 269956a_100000743916_100015922095 [0,1,0,1,0,0|1,0,0]=3 16878 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCO 269956a_100000743916_100000766143 [0,1,0,1,0,0|1,0,0]=3 16879 B15R1.3525 O=C(O)[C@@H]1CSCN1CCCCCCF 269956a_100000743924_100015922095 [0,1,0,1,0,0|2,0,0]=4 16880 B15R1.3525 O=C(O)[C@@H]1CSCN1CCCCCCO 269956a_100000743924_100000766143 [0,1,0,1,0,0|2,0,0]=4 16881 B15R1.3525 O=CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000139337 [0,1,0,1,0,0|1,0,1]=4 16882 B15R1.3745 C#CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215417 [0,1,0,1,0,0|0,0,2]=4 16883 B15R1.3745 C=CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011713584 [0,1,0,1,0,0|0,0,2]=4 16884 B15R1.3745 CC/C=C\CN1CCCCCC1C(=O)O 269956a_100000758484_100103147603 [0,1,0,1,0,0|0,0,2]=4 16885 B15R1.3745 CCC#CCN1CCCCCC1C(=O)O 269956a_100000758484_100009813939 [0,1,0,1,0,0|0,0,2]=4 16886 B15R1.3745 CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210326 [0,1,0,1,0,0|0,0,0]=2 16887 B15R1.3745 CCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210147 [0,1,0,1,0,0|1,0,0]=3 16888 B15R1.3745 CCSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000757381 [0,1,0,1,0,0|1,0,0]=3 16889 B15R1.3745 COCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000740836 [0,1,0,1,0,0|1,0,0]=3 16890 B15R1.3745 N#CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000687738 [0,1,0,1,0,0|1,0,1]=4 16891 B15R1.3745 O=C(O)C1CCCCCN1CCCCF 269956a_100000758484_100000729493 [0,1,0,1,0,0|1,0,0]=3 16892 B15R1.3745 O=C(O)C1CCCCCN1CCCCO 269956a_100000758484_100000210776 [0,1,0,1,0,0|1,0,0]=3 16893 B15R1.3745 O=CCCCN1CCCCCC1C(=O)O 269956a_100000758484_200011292268 [0,1,0,1,0,0|1,0,1]=4 16894 B15R1.5368 CCCCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210681 [0,1,0,1,0,0|1,0,1]=4 16895 B15R1.5368 CCCCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210614 [0,1,0,1,0,0|1,0,1]=4 16896 B15R1.8920 C=C(C)CCOCC1CCCCCCC1 34a_100011216312_100000730704 [0,1,0,1,0,0|2,0,0]=4 16897 B15R1.8920 C=C(C)CCOCC1CCCCCCC1 7a_100011216312_100000730704 [0,1,0,1,0,0|2,0,0]=4 16898 B15R1.8920 C=C(C)CNCCC1CCCCCCC1 2230a_100011532352_100000748629 [0,1,0,1,0,0|2,0,0]=4 16899 B15R1.8920 C=C(C)CNCCC1CCCCCCC1 34a_100011532352_100000748629 [0,1,0,1,0,0|2,0,0]=4 16900 B15R1.8920 C=C(F)CNCCC1CCCCCCC1 2230a_100011532352_100009893438 [0,1,0,1,0,0|2,0,0]=4 16901 B15R1.8920 C=C(F)CNCCC1CCCCCCC1 34a_100011532352_100009893438 [0,1,0,1,0,0|2,0,0]=4 16902 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000735457 [0,1,0,1,0,0|1,0,0]=3 16903 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 34a_100000211400_100009817362 [0,1,0,1,0,0|1,0,0]=3 16904 B15R1.8920 CC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000685027 [0,1,0,1,0,0|1,0,0]=3 16905 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000685027 [0,1,0,1,0,0|1,0,0]=3 16906 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011215641 [0,1,0,1,0,0|1,0,0]=3 16907 B15R1.8920 CC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000053229 [0,1,0,1,0,0|1,0,0]=3 16908 B15R1.8920 CC(=O)NCCNC1CCCCCCC1 2230a_100000211152_100000189650 [0,1,0,1,0,0|2,0,0]=4 16909 B15R1.8920 CC(=O)NCCOC1CCCCCCC1 7a_100000210054_100000189650 [0,1,0,1,0,0|2,0,0]=4 16910 B15R1.8920 CC(=O)OCCCN1CCCCCCC1 269982a_100000211400_100000042594 [0,1,0,1,0,0|2,0,0]=4 16911 B15R1.8920 CC(=O)OCCCN1CCCCCCC1 34a_100000211400_100000042594 [0,1,0,1,0,0|2,0,0]=4 16912 B15R1.8920 CC(=O)OCCNC1CCCCCCC1 34a_100000211152_100009814007 [0,1,0,1,0,0|2,0,0]=4 16913 B15R1.8920 CC(=O)OCCOC1CCCCCCC1 34a_100000210054_100009814007 [0,1,0,1,0,0|2,0,0]=4 16914 B15R1.8920 CC(=O)OCCOC1CCCCCCC1 7a_100000210054_100009814007 [0,1,0,1,0,0|2,0,0]=4 16915 B15R1.8920 CC(=O)OCOCC1CCCCCCC1 34a_100011216312_100009813279 [0,1,0,1,0,0|2,0,0]=4 16916 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 2230a_100000211400_100000038929 [0,1,0,1,0,0|2,0,0]=4 16917 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 269982a_100000211400_100000038929 [0,1,0,1,0,0|2,0,0]=4 16918 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 34a_100000211400_100000038929 [0,1,0,1,0,0|2,0,0]=4 16919 B15R1.8920 CC(O)CCCNC1CCCCCCC1 2230a_100000211152_200000718107 [0,1,0,1,0,0|1,0,1]=4 16920 B15R1.8920 CC(O)CCCNC1CCCCCCC1 34a_100000211152_200000718107 [0,1,0,1,0,0|1,0,1]=4 16921 B15R1.8920 CC(O)CCCOC1CCCCCCC1 34a_100000210054_200000718107 [0,1,0,1,0,0|1,0,1]=4 16922 B15R1.8920 CC(O)CCCOC1CCCCCCC1 7a_100000210054_200000718107 [0,1,0,1,0,0|1,0,1]=4 16923 B15R1.8920 CC(O)CCOCC1CCCCCCC1 34a_100011216312_100012276601 [0,1,0,1,0,0|1,0,1]=4 16924 B15R1.8920 CC(O)CCOCC1CCCCCCC1 7a_100011216312_100012276601 [0,1,0,1,0,0|1,0,1]=4 16925 B15R1.8920 CC(O)CNCCC1CCCCCCC1 2230a_100011532352_100011218427 [0,1,0,1,0,0|1,0,1]=4 16926 B15R1.8920 CC(O)CNCCC1CCCCCCC1 34a_100011532352_100011218427 [0,1,0,1,0,0|1,0,1]=4 16927 B15R1.8920 CS(=O)CCCNC1CCCCCCC1 270004a_200000753449_100000210524 [0,1,0,1,0,0|2,0,0]=4 16928 B15R1.8920 C[C@@H](O)CNCCC1CCCCCCC1 2230a_100011532352_100009817552 [0,1,0,1,0,0|1,0,1]=4 16929 B15R1.8920 C[C@@H](O)CNCCC1CCCCCCC1 34a_100011532352_100009817552 [0,1,0,1,0,0|1,0,1]=4 16930 B15R1.8920 NC(=O)CCCNC1CCCCCCC1 34a_100000211152_100102525003 [0,1,0,1,0,0|1,0,0]=3 16931 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 34a_100000210054_100102525003 [0,1,0,1,0,0|1,0,0]=3 16932 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 7a_100000210054_100102525003 [0,1,0,1,0,0|1,0,0]=3 16933 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000731001 [0,1,0,1,0,0|1,0,0]=3 16934 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000744528 [0,1,0,1,0,0|1,0,0]=3 16935 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747473 [0,1,0,1,0,0|1,0,0]=3 16936 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000187820 [0,1,0,1,0,0|1,0,0]=3 16937 B15R1.8920 NC(=O)COCCN1CCCCCCC1 2230a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 16938 B15R1.8920 NC(=O)COCCN1CCCCCCC1 269982a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 16939 B15R1.8920 NC(=O)COCCN1CCCCCCC1 34a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 16940 B15R1.8920 NC(=O)NCCNC1CCCCCCC1 2230a_100000211152_200000034859 [0,1,0,1,0,0|2,0,0]=4 16941 B15R1.8920 NC(=O)NCCOC1CCCCCCC1 7a_100000210054_200000034859 [0,1,0,1,0,0|2,0,0]=4 16942 B15R1.8920 NC(=O)OCCNC1CCCCCCC1 34a_100000211152_200011214921 [0,1,0,1,0,0|2,0,0]=4 16943 B15R1.8920 NC(=O)OCCOC1CCCCCCC1 34a_100000210054_200011214921 [0,1,0,1,0,0|2,0,0]=4 16944 B15R1.8920 NC(=O)OCCOC1CCCCCCC1 7a_100000210054_200011214921 [0,1,0,1,0,0|2,0,0]=4 16945 B15R1.8920 O=C([O-])CNCCC1CCCCCCC1 34a_100011532352_100020667443 [0,1,0,1,0,0|0,0,1]=3 16946 B15R1.8920 O=[N+]([O-])CNCCC1CCCCCCC1 34a_100011532352_100000761209 [0,1,0,1,0,0|1,0,1]=4 16947 B15R1.8920 OB(O)CCCCN1CCCCCCC1 2230a_100000211400_200009817182 [0,1,0,1,0,0|1,0,1]=4 16948 B15R1.8920 OB(O)CCCCN1CCCCCCC1 269982a_100000211400_200009817182 [0,1,0,1,0,0|1,0,1]=4 16949 B15R1.8920 OB(O)CCCCN1CCCCCCC1 34a_100000211400_200009817182 [0,1,0,1,0,0|1,0,1]=4 16950 B15R1.9199 CCCCCCCCCCNCC1CO1 2230a_100000684558_100011216344 [0,1,0,1,0,0|1,0,1]=4 16951 B15R1.9199 CCCCCCCCCCNCC1CO1 34a_100000684558_102125554688 [0,1,0,1,0,0|1,0,1]=4 16952 B15R1.9199 CCCCCCCCCCOCC1CO1 34a_100000210711_102125554688 [0,1,0,1,0,0|1,0,1]=4 16953 B15R1.9199 CCCCCCCCCCOCC1CO1 7a_100000210711_102125554688 [0,1,0,1,0,0|1,0,1]=4 16954 B15R1.9199 CCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210320 [0,1,0,1,0,0|1,0,1]=4 16955 B15R1.9199 CCCCCCCCCCOC[C@@H]1CO1 7a_100000210711_100000745022 [0,1,0,1,0,0|1,0,1]=4 16956 B15R1.9199 CCCCCCCCCCSCC1CO1 62a_102125554688_100000210320 [0,1,0,1,0,0|1,0,1]=4 16957 B15R1.9199 CCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210320 [0,1,0,1,0,0|1,0,1]=4 16958 B15R1.9199 CCCCCCCCCNCCC1CO1 2230a_100000212291_100000732470 [0,1,0,1,0,0|1,0,1]=4 16959 B15R1.9199 CCCCCCCCCNCCC1CO1 34a_100000212291_100000732470 [0,1,0,1,0,0|1,0,1]=4 16960 B15R1.9199 CCCCCCCCCOCCC1CO1 34a_100000210712_100000732470 [0,1,0,1,0,0|1,0,1]=4 16961 B15R1.9199 CCCCCCCCCOCCC1CO1 7a_100000210712_100000732470 [0,1,0,1,0,0|1,0,1]=4 16962 B15R1.9199 CCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100011214924 [0,1,0,1,0,0|1,0,1]=4 16963 B15R1.9199 CCCCCCCCCSCCC1CO1 62a_100000732470_100000210670 [0,1,0,1,0,0|1,0,1]=4 16964 B15R1.9199 CCCCCCCCNCCCC1CO1 2230a_100000229939_100000733510 [0,1,0,1,0,0|1,0,1]=4 16965 B15R1.9199 CCCCCCCCNCCCC1CO1 34a_100000229939_100000733510 [0,1,0,1,0,0|1,0,1]=4 16966 B15R1.9199 CCCCCCCCOCCCC1CO1 34a_100000210232_100000733510 [0,1,0,1,0,0|1,0,1]=4 16967 B15R1.9199 CCCCCCCCOCCCC1CO1 7a_100000210232_100000733510 [0,1,0,1,0,0|1,0,1]=4 16968 B15R1.9199 CCCCCCCCSCCCC1CO1 62a_100000210759_100000733510 [0,1,0,1,0,0|1,0,1]=4 16969 B15R1.9199 CCCCCCCCSCCCC1CO1 62a_100000733510_100000210317 [0,1,0,1,0,0|1,0,1]=4 16970 B15R1.9274 C#CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100012276617 [0,1,0,1,0,0|0,0,2]=4 16971 B15R1.9274 C=CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215473 [0,1,0,1,0,0|0,0,2]=4 16972 B15R1.9274 CCCCCC#CCN1CCC1C(=O)O 269956a_100000021838_100009816472 [0,1,0,1,0,0|0,0,2]=4 16973 B15R1.9274 CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210759 [0,1,0,1,0,0|0,0,0]=2 16974 B15R1.9274 CCOCCOCCN1CCC1C(=O)O 269956a_100000021838_100011211534 [0,1,0,1,0,0|2,0,0]=4 16975 B15R1.9274 COCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011998445 [0,1,0,1,0,0|1,0,0]=3 16976 B15R1.9274 COCCOCCCN1CCC1C(=O)O 269956a_100000021838_100011216529 [0,1,0,1,0,0|2,0,0]=4 16977 B15R1.9274 N#CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100009813337 [0,1,0,1,0,0|1,0,1]=4 16978 B15R1.9274 O=C(O)C1CCN1CCCCCCCO 269956a_100000021838_100000760002 [0,1,0,1,0,0|1,0,0]=3 16979 B15R1.10901 C#CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000184674 [0,1,0,1,0,0|0,0,2]=4 16980 B15R1.10901 C=CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210623 [0,1,0,1,0,0|0,0,2]=4 16981 B15R1.10901 CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210207 [0,1,0,1,0,0|0,0,0]=2 16982 B15R1.10901 COCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000766300 [0,1,0,1,0,0|1,0,0]=3 16983 B15R1.10901 CSCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011218213 [0,1,0,1,0,0|1,0,0]=3 16984 B15R1.10901 N#CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215382 [0,1,0,1,0,0|1,0,1]=4 16985 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCF 269956a_200049070474_100011217306 [0,1,0,1,0,0|1,0,0]=3 16986 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCO 269956a_200049070474_100000211926 [0,1,0,1,0,0|1,0,0]=3 16987 B15R1.10901 O=CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200015260668 [0,1,0,1,0,0|1,0,1]=4 16988 B15R1.633 CCCC(C)COCC1CCCC(=O)N1 34a_200000102386_100011216630 [0,1,0,1,0,0|2,0,0]=4 16989 B15R1.777 CCCC(C)CCCOC1COC(=O)O1 34a_100011713154_100000032252 [0,1,0,1,0,0|2,0,0]=4 16990 B15R1.777 CCCC(C)CCOCC1CNC(=O)O1 34a_100011217855_100000181169 [0,1,0,1,0,0|2,0,0]=4 16991 B15R1.777 CCCC(C)CCOCC1CNC(=O)O1 7a_100011217855_100000181169 [0,1,0,1,0,0|2,0,0]=4 16992 B15R1.777 CCCC(C)CCOCC1COC(=O)O1 34a_100011217855_100000073702 [0,1,0,1,0,0|2,0,0]=4 16993 B15R1.777 CCCC(C)CCOC[C@@H]1CCC(=O)N1 7a_100011217855_100015189358 [0,1,0,1,0,0|2,0,0]=4 16994 B15R1.777 CCC[C@H](N)CCOCC1CNC(=O)O1 34a_100015193777_100000181169 [0,1,0,1,0,0|2,0,0]=4 16995 B15R1.777 CCC[C@H](N)CCOCC1COC(=O)O1 34a_100015193777_100000073702 [0,1,0,1,0,0|2,0,0]=4 16996 B15R1.784 CCCC(C)CCCOCC1CC(=O)C1 7a_100011713154_100009874392 [0,1,0,1,0,0|2,0,0]=4 16997 B15R1.810 CCCC(C)N1CCCCC1CC(=O)N 2230a_100015184752_100000766640 [0,1,0,1,0,0|2,0,0]=4 16998 B15R1.810 CCCC(C)N1CCCCC1CC(=O)N 269982a_100015184752_100000766640 [0,1,0,1,0,0|2,0,0]=4 16999 B15R1.810 CCCC(C)N1CCCCC1CC(=O)N 270004a_100015184752_100000211909 [0,1,0,1,0,0|2,0,0]=4 17000 B15R1.810 CCCC(C)N1CCCCC1CC(=O)N 34a_100015184752_100000766640 [0,1,0,1,0,0|2,0,0]=4 17001 B15R1.1274 CC(CCO)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009893172 [0,1,0,1,0,0|2,0,0]=4 17002 B15R1.1274 CCCC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000747444 [0,1,0,1,0,0|1,0,1]=4 17003 B15R1.1274 CCCC(C)CN1CCCCC1C(=O)N 2230a_100000181395_100011216630 [0,1,0,1,0,0|2,0,0]=4 17004 B15R1.1274 CCCC(C)CN1CCCCC1C(=O)N 269982a_100000181395_100011216630 [0,1,0,1,0,0|2,0,0]=4 17005 B15R1.1274 CCCC(C)CN1CCCCC1C(=O)N 270004a_100000181395_100000243154 [0,1,0,1,0,0|2,0,0]=4 17006 B15R1.1274 CCCC(C)CN1CCCCC1C(=O)N 34a_100000181395_100011216630 [0,1,0,1,0,0|2,0,0]=4 17007 B15R1.1274 CCCC(C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011216630 [0,1,0,1,0,0|1,0,0]=3 17008 B15R1.1274 CCCC(C)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011216630 [0,1,0,1,0,0|2,0,0]=4 17009 B15R1.1274 CCCC(C)CN1CCSCC1C(=O)O 269956a_100011346106_100011216630 [0,1,0,1,0,0|2,0,0]=4 17010 B15R1.1274 CCCC(C)CN1CSCCC1C(=O)O 269956a_100015185162_100011216630 [0,1,0,1,0,0|2,0,0]=4 17011 B15R1.1274 CCCC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000766640 [0,1,0,1,0,0|1,0,0]=3 17012 B15R1.1274 COCC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000765312 [0,1,0,1,0,0|2,0,0]=4 17013 B15R1.1274 COCC(O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215053 [0,1,0,1,0,0|2,0,0]=4 17014 B15R1.5821 CC(=O)CCCOC1CCC(CC1C)C 34a_100011539931_100000685027 [0,1,0,1,0,0|2,0,0]=4 17015 B15R1.5821 CC(=O)CCCOC1CCC(CC1C)C 7a_100011539931_100011215641 [0,1,0,1,0,0|2,0,0]=4 17016 B15R1.5821 CC1CCC(C(C1)C)OCCCC(=O)N 34a_100011539931_100102525003 [0,1,0,1,0,0|2,0,0]=4 17017 B15R1.5821 CC1CCC(C(C1)C)OCCCC(=O)N 7a_100011539931_100102525003 [0,1,0,1,0,0|2,0,0]=4 17018 B15R1.10579 CC(CCO)N1CCCCCC1C(=O)O 269956a_100000758484_100009893172 [0,1,0,1,0,0|2,0,0]=4 17019 B15R1.10579 CCCC(C)N1CCCCCC1C(=O)O 269956a_100000758484_100000766640 [0,1,0,1,0,0|1,0,0]=3 17020 B15R1.10579 COCC(C)N1CCCCCC1C(=O)O 269956a_100000758484_100000765312 [0,1,0,1,0,0|2,0,0]=4 17021 B15R1.12289 NC(=O)CCCCCNCC(O)C1CC1 2230a_100000751198_100009817443 [0,1,0,1,0,0|2,0,0]=4 17022 B15R1.12289 NC(=O)CCCCCNCC(O)C1CC1 34a_100000751198_100009817443 [0,1,0,1,0,0|2,0,0]=4 17023 B15R1.12289 NC(=O)CCCCCOC[C@H](N)C1CC1 34a_100020623730_100009817443 [0,1,0,1,0,0|2,0,0]=4 17024 B15R1.31279 CC1(CCC1)CNCCCCCC(=O)N 2230a_100000706607_100009817443 [0,1,0,1,0,0|2,0,0]=4 17025 B15R1.31279 CC1(CCC1)COCCCCCC(=O)N 34a_100000123541_100000726658 [0,1,0,1,0,0|2,0,0]=4 17026 B15R1.31279 CC1(CCC1)COCCCCCC(=O)N 7a_100000123541_100000726658 [0,1,0,1,0,0|2,0,0]=4 17027 B15R1.31279 CC1(CCC1)COCCCCCC(=O)[O-] 7a_100102619762_100000726658 [0,1,0,1,0,0|1,0,1]=4 17028 B15R1.31279 CC1(CCC1)CSCCCCCC(=O)N 62a_100000726658_100009817443 [0,1,0,1,0,0|2,0,0]=4 17029 B15R1.31279 CC1(CCC1)CSCCCCCC(=O)N 62a_100009817443_100000726658 [0,1,0,1,0,0|2,0,0]=4 17030 B15R1.31279 NC(=O)CCCCCNCC1(CCC1)O 2230a_100000752638_100009817443 [0,1,0,1,0,0|2,0,0]=4 17031 B15R1.31 CCCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210757 [0,1,0,1,0,0|1,0,1]=4 17032 B15R1.82 CCCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210757 [0,1,0,1,0,0|1,0,1]=4 17033 B15R1.82 CCCCCCC(=O)CC1CNC(=O)O1 1458a_100102632555_100000181169 [0,1,0,1,0,0|1,0,1]=4 17034 B15R1.82 CCCCCCC(=O)CC1COC(=O)O1 1458a_100102632555_100000073702 [0,1,0,1,0,0|1,0,1]=4 17035 B15R1.82 CCCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100102632555_100015189358 [0,1,0,1,0,0|1,0,1]=4 17036 B15R1.82 CCCCCCC(C)NC1COC(=O)O1 34a_100000210919_100000032252 [0,1,0,1,0,0|2,0,0]=4 17037 B15R1.82 CCCCCCC(C)OC1CCC(=O)C1 34a_100012614533_100011215978 [0,1,0,1,0,0|2,0,0]=4 17038 B15R1.82 CCCCCCC(C)OC1COC(=O)O1 34a_100000210265_100000032252 [0,1,0,1,0,0|2,0,0]=4 17039 B15R1.82 CCCCCCC(C)SC1COC(=O)O1 62a_100011215978_100000032252 [0,1,0,1,0,0|2,0,0]=4 17040 B15R1.82 CCCCCCN(C)CC1CNC(=O)O1 2230a_106256046315_100000181169 [0,1,0,1,0,0|2,0,0]=4 17041 B15R1.82 CCCCCCN(C)CC1CNC(=O)O1 269982a_106256046315_100000181169 [0,1,0,1,0,0|2,0,0]=4 17042 B15R1.82 CCCCCCN(C)CC1COC(=O)O1 269982a_106256046315_100000073702 [0,1,0,1,0,0|2,0,0]=4 17043 B15R1.82 CCCCCCN(C)C[C@@H]1CCC(=O)N1 2230a_106256046315_100015189358 [0,1,0,1,0,0|2,0,0]=4 17044 B15R1.82 CCCCCCN(C)C[C@@H]1CCC(=O)N1 269982a_106256046315_100015189358 [0,1,0,1,0,0|2,0,0]=4 17045 B15R1.497 CC(=O)CCCCC(=O)C1CCCCC1 1458a_100000210647_100000735457 [0,1,0,1,0,0|1,0,1]=4 17046 B15R1.497 CC(=O)CCCCN(C)C1CCCCC1 269982a_100000207522_100000735457 [0,1,0,1,0,0|2,0,0]=4 17047 B15R1.497 CC(=O)CCCCN(C)C1CCCCC1 34a_100000207522_100009817362 [0,1,0,1,0,0|2,0,0]=4 17048 B15R1.497 CC(=O)CCCN[C@H](C)C1CCCCC1 34a_100025707633_100000685027 [0,1,0,1,0,0|2,0,0]=4 17049 B15R1.497 CC(=O)CCCOC(C)C1CCCCC1 34a_100011216961_100000685027 [0,1,0,1,0,0|2,0,0]=4 17050 B15R1.497 CC(=O)CCCOC(C)C1CCCCC1 7a_100011216961_100011215641 [0,1,0,1,0,0|2,0,0]=4 17051 B15R1.497 CC(NCCCC(=O)N)C1CCCCC1 269862a_100000739312_100000210989 [0,1,0,1,0,0|2,0,0]=4 17052 B15R1.497 CC(OCCCC(=O)N)C1CCCCC1 34a_100011216961_100102525003 [0,1,0,1,0,0|2,0,0]=4 17053 B15R1.497 CC(OCCCC(=O)N)C1CCCCC1 7a_100011216961_100102525003 [0,1,0,1,0,0|2,0,0]=4 17054 B15R1.497 C[C@@H](NCCCC(=O)N)C1CCCCC1 34a_100025707633_100102525003 [0,1,0,1,0,0|2,0,0]=4 17055 B15R1.497 NC(=O)CCOC[C@H](N)C1CCCCC1 34a_100009817630_100000731001 [0,1,0,1,0,0|2,0,0]=4 17056 B15R1.497 NC(=O)COCCC(N)C1CCCCC1 34a_200020622111_100000187820 [0,1,0,1,0,0|2,0,0]=4 17057 B15R1.497 NC(CCOCC(=O)[O-])C1CCCCC1 34a_200020622111_100020667443 [0,1,0,1,0,0|1,0,1]=4 17058 B15R1.507 CC(=O)CCCCC(=O)CC1CCCC1 1458a_100000210891_100000735457 [0,1,0,1,0,0|1,0,1]=4 17059 B15R1.3990 CC1CCCC(N1CCCCF)C(=O)O 269956a_100000704260_100000729493 [0,1,0,1,0,0|2,0,0]=4 17060 B15R1.3990 CC1CCCC(N1CCCCO)C(=O)O 269956a_100000704260_100000210776 [0,1,0,1,0,0|2,0,0]=4 17061 B15R1.3990 CCCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210326 [0,1,0,1,0,0|1,0,0]=3 17062 B15R1.3990 CCOCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210147 [0,1,0,1,0,0|2,0,0]=4 17063 B15R1.3990 CCSCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000757381 [0,1,0,1,0,0|2,0,0]=4 17064 B15R1.3990 COCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000740836 [0,1,0,1,0,0|2,0,0]=4 17065 B15R1.4539 CCCCCCC(C)NCC1CC(=O)C1 2230a_100000210919_100009874392 [0,1,0,1,0,0|2,0,0]=4 17066 B15R1.4539 CCCCCCC(C)OCC1CC(=O)C1 34a_100000101936_100011215978 [0,1,0,1,0,0|2,0,0]=4 17067 B15R1.4539 CCCCCCC(C)OCC1CC(=O)C1 7a_100000210265_100009874392 [0,1,0,1,0,0|2,0,0]=4 17068 B15R1.4539 CCCCCCC(C)SCC1CC(=O)C1 62a_100009874392_100011215978 [0,1,0,1,0,0|2,0,0]=4 17069 B15R1.4539 CCCCCCC(C)SCC1CC(=O)C1 62a_100011215978_100009874392 [0,1,0,1,0,0|2,0,0]=4 17070 B15R1.5858 CC(=O)CCCCC(=O)C1CCCC1C 1458a_100000690547_100000735457 [0,1,0,1,0,0|1,0,1]=4 17071 B15R1.17020 CCCCCCC(C)N1CCC1C(=O)O 269956a_100000021838_100011215978 [0,1,0,1,0,0|1,0,0]=3 17072 B15R1.31162 CC(=O)CCCNC1(CCCCCC1)C 34a_100000704638_100000685027 [0,1,0,1,0,0|2,0,0]=4 17073 B15R1.31162 CC(=O)CCCOC1(CCCCCC1)C 34a_100000708895_100000685027 [0,1,0,1,0,0|2,0,0]=4 17074 B15R1.31162 CC(=O)CCCOC1(CCCCCC1)C 7a_100000708895_100011215641 [0,1,0,1,0,0|2,0,0]=4 17075 B15R1.31162 CC1(CCCCCC1)NCCCC(=O)N 34a_100000704638_100102525003 [0,1,0,1,0,0|2,0,0]=4 17076 B15R1.31162 CC1(CCCCCC1)OCCCC(=O)N 34a_100000708895_100102525003 [0,1,0,1,0,0|2,0,0]=4 17077 B15R1.31162 CC1(CCCCCC1)OCCCC(=O)N 7a_100000708895_100102525003 [0,1,0,1,0,0|2,0,0]=4 17078 B15R2.31 O=C1CCCC(C1)OC2CCCCC2 34a_100012613340_100000210327 [0,0,0,2,0,0|2,0,0]=4 17079 B15R2.1117 O=C1CCCC(C1)OCC2CCCC2 34a_100012613340_100000740388 [0,0,0,2,0,0|2,0,0]=4 17080 B15R2.1117 O=C1CCCC(N1)COC2CCCC2 34a_200000102386_100000179811 [0,0,0,2,0,0|2,0,0]=4 17081 B15R2.7133 O=C1CCCC(N1)COCCC2CC2 34a_200000102386_100000694398 [0,0,0,2,0,0|2,0,0]=4 17082 B15R2.7146 O=C1CCCC(N1)COCC2CCC2 34a_200000102386_100000763275 [0,0,0,2,0,0|2,0,0]=4 17083 B15R2.627 CN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_200000210301 [0,0,0,2,0,0|1,0,0]=3 17084 B15R2.627 [13CH3]N1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_200025704644 [0,0,0,2,0,0|1,0,0]=3 17085 B15R2.1668 NC(=O)CN1CCC2CCCCC2C1 2230a_100000211783_100000747473 [0,0,0,2,0,0|2,0,0]=4 17086 B15R2.1668 NC(=O)CN1CCC2CCCCC2C1 269982a_100000211783_100000187820 [0,0,0,2,0,0|2,0,0]=4 17087 B15R2.1668 NC(=O)CN1CCC2CCCCC2C1 34a_100000211783_100000187820 [0,0,0,2,0,0|2,0,0]=4 17088 B15R2.1668 O=C([O-])CN1CCC2CCCCC2C1 269982a_100000211783_100020667443 [0,0,0,2,0,0|1,0,1]=4 17089 B15R2.1668 O=C([O-])CN1CCC2CCCCC2C1 34a_100000211783_100020667443 [0,0,0,2,0,0|1,0,1]=4 17090 B15R2.1921 CCC1CCCCN1CC2CC(=O)C2 2230a_100000210034_100009874392 [0,0,0,2,0,0|2,0,0]=4 17091 B15R2.1921 CCC1CCCCN1CC2CC(=O)C2 269982a_100000210034_100009874392 [0,0,0,2,0,0|2,0,0]=4 17092 B15R2.2189 CCC1CCCCN1C2COC(=O)O2 34a_100000210034_100000032252 [0,0,0,2,0,0|2,0,0]=4 17093 B15R2.16256 CC(=O)CCCN1CC2CCC1CC2 269982a_100000750499_100011215641 [0,0,0,2,0,0|2,0,0]=4 17094 B15R2.16256 CC(=O)CCCN1CC2CCC1CC2 34a_100000750499_100000685027 [0,0,0,2,0,0|2,0,0]=4 17095 B15R2.16256 NC(=O)CCCN1CC2CCC1CC2 269982a_100000750499_100102525003 [0,0,0,2,0,0|2,0,0]=4 17096 B15R2.16256 NC(=O)CCCN1CC2CCC1CC2 34a_100000750499_100102525003 [0,0,0,2,0,0|2,0,0]=4 17097 B15R2.119 CCC1CCCN1CC2CNC(=O)O2 2230a_100000754278_100000181169 [0,0,0,2,0,0|2,0,0]=4 17098 B15R2.119 CCC1CCCN1CC2CNC(=O)O2 269982a_100000754278_100000181169 [0,0,0,2,0,0|2,0,0]=4 17099 B15R2.119 CCC1CCCN1CC2CNC(=O)O2 34a_100000754278_100000181169 [0,0,0,2,0,0|2,0,0]=4 17100 B15R2.119 CCC1CCCN1CC2COC(=O)O2 269982a_100000754278_100000073702 [0,0,0,2,0,0|2,0,0]=4 17101 B15R2.119 CCC1CCCN1CC2COC(=O)O2 34a_100000754278_100000073702 [0,0,0,2,0,0|2,0,0]=4 17102 B15R2.119 CCC1CCCN1C[C@@H]2CCC(=O)N2 2230a_100000754278_100015189358 [0,0,0,2,0,0|2,0,0]=4 17103 B15R2.119 CCC1CCCN1C[C@@H]2CCC(=O)N2 269982a_100000754278_100015189358 [0,0,0,2,0,0|2,0,0]=4 17104 B15R2.7688 NC(=O)COC1CCC2CCCC2C1 34a_100000073670_100000187820 [0,0,0,2,0,0|2,0,0]=4 17105 B15R2.7688 NC(=O)COC1CCC2CCCC2C1 7a_100000073670_100000187820 [0,0,0,2,0,0|2,0,0]=4 17106 B15R2.7688 O=C([O-])COC1CCC2CCCC2C1 34a_100000073670_100020667443 [0,0,0,2,0,0|1,0,1]=4 17107 B15R2.16181 CC(=O)CCCCN1C2CCC1CC2 269982a_100000735658_100000735457 [0,0,0,2,0,0|2,0,0]=4 17108 B15R2.16181 CC(=O)CCCCN1C2CCC1CC2 34a_100000735658_100009817362 [0,0,0,2,0,0|2,0,0]=4 17109 B15R2.16181 CC(=O)CCCOC1C2CCC1CC2 34a_100000759063_100009813300 [0,0,0,2,0,0|2,0,0]=4 17110 B15R2.16181 CC(=O)CCCSC1C2CCC1CC2 62a_100009813300_100011215641 [0,0,0,2,0,0|2,0,0]=4 17111 B15R2.16181 CC(=O)CCCSC1C2CCC1CC2 62a_100011215641_100009813300 [0,0,0,2,0,0|2,0,0]=4 17112 B15R2.16181 NC(=O)CCCNC1C2CCC1CC2 34a_100000739312_100009813300 [0,0,0,2,0,0|2,0,0]=4 17113 B15R2.16181 NC(=O)CCCSC1C2CCC1CC2 62a_100009813300_100102525003 [0,0,0,2,0,0|2,0,0]=4 17114 B15R2.16181 NC(=O)CCCSC1C2CCC1CC2 62a_100102525003_100009813300 [0,0,0,2,0,0|2,0,0]=4 17115 B15R2.16214 CC(=O)CCCCN1CCCC12CC2 269982a_100020620911_100000735457 [0,0,0,2,0,0|2,0,0]=4 17116 B15R2.16214 CC(=O)CCCCN1CCCC12CC2 34a_100020620911_100009817362 [0,0,0,2,0,0|2,0,0]=4 17117 B15R2.16214 NC(=O)CCCNC1CCCC12CC2 269862a_100000739312_100009881796 [0,0,0,2,0,0|2,0,0]=4 17118 B15R2.19801 CC(=O)CCCCN1CC2CCC1C2 269982a_100000743476_100000735457 [0,0,0,2,0,0|2,0,0]=4 17119 B15R2.19801 CC(=O)CCCCN1CC2CCC1C2 34a_100000743476_100009817362 [0,0,0,2,0,0|2,0,0]=4 17120 B15R2.19801 CC(=O)CCCNC1CC2CCC1C2 34a_100000758229_100000685027 [0,0,0,2,0,0|2,0,0]=4 17121 B15R2.19801 CC(=O)CCCOC1CC2CCC1C2 34a_100000211339_100000685027 [0,0,0,2,0,0|2,0,0]=4 17122 B15R2.19801 CC(=O)CCCOC1CC2CCC1C2 34a_100000759063_100000727232 [0,0,0,2,0,0|2,0,0]=4 17123 B15R2.19801 CC(=O)CCCSC1CC2CCC1C2 62a_100000727232_100011215641 [0,0,0,2,0,0|2,0,0]=4 17124 B15R2.19801 CC(=O)CCCSC1CC2CCC1C2 62a_100011215641_100000727232 [0,0,0,2,0,0|2,0,0]=4 17125 B15R2.19801 NC(=O)CCCNC1CC2CCC1C2 269862a_100000739312_100000223372 [0,0,0,2,0,0|2,0,0]=4 17126 B15R2.19801 NC(=O)CCCNC1CC2CCC1C2 34a_100000739312_100000727232 [0,0,0,2,0,0|2,0,0]=4 17127 B15R2.19801 NC(=O)CCCNC1CC2CCC1C2 34a_100000758229_100102525003 [0,0,0,2,0,0|2,0,0]=4 17128 B15R2.19801 NC(=O)CCCOC1CC2CCC1C2 34a_100000211339_100102525003 [0,0,0,2,0,0|2,0,0]=4 17129 B15R2.19801 NC(=O)CCCSC1CC2CCC1C2 62a_100000727232_100102525003 [0,0,0,2,0,0|2,0,0]=4 17130 B15R2.19801 NC(=O)CCCSC1CC2CCC1C2 62a_100102525003_100000727232 [0,0,0,2,0,0|2,0,0]=4 17131 B15R2.19801 NC(=O)CCNCC1CC2CCC1C2 269862a_100000740010_100000697602 [0,0,0,2,0,0|2,0,0]=4 17132 B15R2.19801 NC(=O)CCOCC1CC2CCC1C2 34a_100000229996_100000731001 [0,0,0,2,0,0|2,0,0]=4 17133 B15R2.283 O=C1CCC(C1)OCC2CCCCC2 34a_100012614533_100000211423 [0,0,0,2,0,0|2,0,0]=4 17134 B15R2.283 O=C1CCC(N1)COC2CCCCC2 34a_100000737831_100000210327 [0,0,0,2,0,0|2,0,0]=4 17135 B15R2.283 O=C1CC[C@@H](N1)CNC2CCCCC2 270004a_100015423886_100000210434 [0,0,0,2,0,0|2,0,0]=4 17136 B15R2.283 O=C1CC[C@@H](N1)CNC2CCCCC2 34a_100015423886_100000210327 [0,0,0,2,0,0|2,0,0]=4 17137 B15R2.283 O=C1CC[C@H](N1)CNC2CCCCC2 2230a_100000182618_100015189358 [0,0,0,2,0,0|2,0,0]=4 17138 B15R2.283 O=C1CC[C@H](N1)COC2CCCCC2 7a_100000210231_100015189358 [0,0,0,2,0,0|2,0,0]=4 17139 B15R2.283 O=C1CC[C@H](N1)CSC2CCCCC2 62a_100000210327_100015189358 [0,0,0,2,0,0|2,0,0]=4 17140 B15R2.283 O=C1CC[C@H](N1)CSC2CCCCC2 62a_100015189358_100000210327 [0,0,0,2,0,0|2,0,0]=4 17141 B15R2.283 O=C1NCC(O1)CNC2CCCCC2 2230a_100000182618_100000181169 [0,0,0,2,0,0|2,0,0]=4 17142 B15R2.283 O=C1NCC(O1)CNC2CCCCC2 34a_100000182618_100000181169 [0,0,0,2,0,0|2,0,0]=4 17143 B15R2.283 O=C1NCC(O1)COC2CCCCC2 34a_100000210231_100000181169 [0,0,0,2,0,0|2,0,0]=4 17144 B15R2.283 O=C1NCC(O1)COC2CCCCC2 34a_100011315639_100000210327 [0,0,0,2,0,0|2,0,0]=4 17145 B15R2.283 O=C1NCC(O1)COC2CCCCC2 7a_100000210231_100000181169 [0,0,0,2,0,0|2,0,0]=4 17146 B15R2.283 O=C1NCC(O1)CSC2CCCCC2 62a_100000181169_100000210327 [0,0,0,2,0,0|2,0,0]=4 17147 B15R2.283 O=C1NCC(O1)CSC2CCCCC2 62a_100000210327_100000181169 [0,0,0,2,0,0|2,0,0]=4 17148 B15R2.283 O=C1OCC(O1)CNC2CCCCC2 34a_100000182618_100000073702 [0,0,0,2,0,0|2,0,0]=4 17149 B15R2.283 O=C1OCC(O1)COC2CCCCC2 34a_100000210231_100000073702 [0,0,0,2,0,0|2,0,0]=4 17150 B15R2.283 O=C1OCC(O1)CSC2CCCCC2 62a_100000073702_100000210327 [0,0,0,2,0,0|2,0,0]=4 17151 B15R2.283 O=C1OCC(O1)CSC2CCCCC2 62a_100000210327_100000073702 [0,0,0,2,0,0|2,0,0]=4 17152 B15R2.283 O=C1OCC(O1)NCC2CCCCC2 34a_100000210473_100000032252 [0,0,0,2,0,0|2,0,0]=4 17153 B15R2.283 O=C1OCC(O1)OCC2CCCCC2 34a_100000212181_100000032252 [0,0,0,2,0,0|2,0,0]=4 17154 B15R2.283 O=C1OCC(O1)SCC2CCCCC2 62a_100000211423_100000032252 [0,0,0,2,0,0|2,0,0]=4 17155 B15R2.286 O=C1CCC(C1)OCCC2CCCC2 34a_100012614533_100000760354 [0,0,0,2,0,0|2,0,0]=4 17156 B15R2.286 O=C1CCC(N1)COCC2CCCC2 34a_100000737831_100000740388 [0,0,0,2,0,0|2,0,0]=4 17157 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCCC2 2230a_100015423886_100000740388 [0,0,0,2,0,0|2,0,0]=4 17158 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCCC2 269862a_100015423886_100000746403 [0,0,0,2,0,0|2,0,0]=4 17159 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCCC2 34a_100015423886_100000740388 [0,0,0,2,0,0|2,0,0]=4 17160 B15R2.286 O=C1CC[C@H](N1)CNCC2CCCC2 2230a_100000737975_100015189358 [0,0,0,2,0,0|2,0,0]=4 17161 B15R2.286 O=C1CC[C@H](N1)COCC2CCCC2 7a_100000742336_100015189358 [0,0,0,2,0,0|2,0,0]=4 17162 B15R2.286 O=C1CC[C@H](N1)CSCC2CCCC2 62a_100000740388_100015189358 [0,0,0,2,0,0|2,0,0]=4 17163 B15R2.286 O=C1CC[C@H](N1)CSCC2CCCC2 62a_100015189358_100000740388 [0,0,0,2,0,0|2,0,0]=4 17164 B15R2.286 O=C1NCC(O1)CNCC2CCCC2 2230a_100000737975_100000181169 [0,0,0,2,0,0|2,0,0]=4 17165 B15R2.286 O=C1NCC(O1)CNCC2CCCC2 34a_100000737975_100000181169 [0,0,0,2,0,0|2,0,0]=4 17166 B15R2.286 O=C1NCC(O1)COCC2CCCC2 34a_100000742336_100000181169 [0,0,0,2,0,0|2,0,0]=4 17167 B15R2.286 O=C1NCC(O1)COCC2CCCC2 34a_100011315639_100000740388 [0,0,0,2,0,0|2,0,0]=4 17168 B15R2.286 O=C1NCC(O1)COCC2CCCC2 7a_100000742336_100000181169 [0,0,0,2,0,0|2,0,0]=4 17169 B15R2.286 O=C1NCC(O1)CSCC2CCCC2 62a_100000181169_100000740388 [0,0,0,2,0,0|2,0,0]=4 17170 B15R2.286 O=C1NCC(O1)CSCC2CCCC2 62a_100000740388_100000181169 [0,0,0,2,0,0|2,0,0]=4 17171 B15R2.286 O=C1OCC(O1)CNCC2CCCC2 34a_100000737975_100000073702 [0,0,0,2,0,0|2,0,0]=4 17172 B15R2.286 O=C1OCC(O1)COCC2CCCC2 34a_100000742336_100000073702 [0,0,0,2,0,0|2,0,0]=4 17173 B15R2.286 O=C1OCC(O1)CSCC2CCCC2 62a_100000073702_100000740388 [0,0,0,2,0,0|2,0,0]=4 17174 B15R2.286 O=C1OCC(O1)CSCC2CCCC2 62a_100000740388_100000073702 [0,0,0,2,0,0|2,0,0]=4 17175 B15R2.286 O=C1OCC(O1)NCCC2CCCC2 34a_100000739158_100000032252 [0,0,0,2,0,0|2,0,0]=4 17176 B15R2.286 O=C1OCC(O1)OCCC2CCCC2 34a_100000749090_100000032252 [0,0,0,2,0,0|2,0,0]=4 17177 B15R2.286 O=C1OCC(O1)SCCC2CCCC2 62a_100000760354_100000032252 [0,0,0,2,0,0|2,0,0]=4 17178 B15R2.287 CC1CCCC1NC[C@H]2CCC(=O)N2 269862a_100015423886_100000752053 [0,0,0,2,0,0|2,0,0]=4 17179 B15R2.287 CC1CCCC1OCC2CNC(=O)O2 34a_100011216460_100000181169 [0,0,0,2,0,0|2,0,0]=4 17180 B15R2.287 CC1CCCC1OCC2CNC(=O)O2 7a_100011216460_100000181169 [0,0,0,2,0,0|2,0,0]=4 17181 B15R2.287 CC1CCCC1OCC2COC(=O)O2 34a_100011216460_100000073702 [0,0,0,2,0,0|2,0,0]=4 17182 B15R2.287 CC1CCCC1OC[C@@H]2CCC(=O)N2 7a_100011216460_100015189358 [0,0,0,2,0,0|2,0,0]=4 17183 B15R2.305 CC1CCCCC1NC2COC(=O)O2 34a_100000211402_100000032252 [0,0,0,2,0,0|2,0,0]=4 17184 B15R2.305 CC1CCCCC1OC2COC(=O)O2 34a_100000211207_100000032252 [0,0,0,2,0,0|2,0,0]=4 17185 B15R2.305 CC1CCCCN1CC2CNC(=O)O2 2230a_100000211376_100000181169 [0,0,0,2,0,0|2,0,0]=4 17186 B15R2.305 CC1CCCCN1CC2CNC(=O)O2 269982a_100000211376_100000181169 [0,0,0,2,0,0|2,0,0]=4 17187 B15R2.305 CC1CCCCN1CC2CNC(=O)O2 34a_100000211376_100000181169 [0,0,0,2,0,0|2,0,0]=4 17188 B15R2.305 CC1CCCCN1CC2COC(=O)O2 269982a_100000211376_100000073702 [0,0,0,2,0,0|2,0,0]=4 17189 B15R2.305 CC1CCCCN1CC2COC(=O)O2 34a_100000211376_100000073702 [0,0,0,2,0,0|2,0,0]=4 17190 B15R2.305 CC1CCCCN1C[C@@H]2CCC(=O)N2 2230a_100000211376_100015189358 [0,0,0,2,0,0|2,0,0]=4 17191 B15R2.305 CC1CCCCN1C[C@@H]2CCC(=O)N2 269982a_100000211376_100015189358 [0,0,0,2,0,0|2,0,0]=4 17192 B15R2.6887 O=C1OCC(O1)N2CCCCCCC2 34a_100000211400_100000032252 [0,0,0,2,0,0|2,0,0]=4 17193 B15R2.6962 O=C1CCC(C1)OC2CCCCCC2 34a_100012614533_100011217769 [0,0,0,2,0,0|2,0,0]=4 17194 B15R2.6962 O=C1CC[C@H](N1)CN2CCCCCC2 2230a_100000185865_100015189358 [0,0,0,2,0,0|2,0,0]=4 17195 B15R2.6962 O=C1CC[C@H](N1)CN2CCCCCC2 269982a_100000185865_100015189358 [0,0,0,2,0,0|2,0,0]=4 17196 B15R2.6962 O=C1NCC(O1)CN2CCCCCC2 2230a_100000185865_100000181169 [0,0,0,2,0,0|2,0,0]=4 17197 B15R2.6962 O=C1NCC(O1)CN2CCCCCC2 269982a_100000185865_100000181169 [0,0,0,2,0,0|2,0,0]=4 17198 B15R2.6962 O=C1NCC(O1)CN2CCCCCC2 34a_100000185865_100000181169 [0,0,0,2,0,0|2,0,0]=4 17199 B15R2.6962 O=C1OCC(O1)CN2CCCCCC2 269982a_100000185865_100000073702 [0,0,0,2,0,0|2,0,0]=4 17200 B15R2.6962 O=C1OCC(O1)CN2CCCCCC2 34a_100000185865_100000073702 [0,0,0,2,0,0|2,0,0]=4 17201 B15R2.6962 O=C1OCC(O1)NC2CCCCCC2 34a_100000210984_100000032252 [0,0,0,2,0,0|2,0,0]=4 17202 B15R2.6962 O=C1OCC(O1)OC2CCCCCC2 34a_100000210887_100000032252 [0,0,0,2,0,0|2,0,0]=4 17203 B15R2.6962 O=C1OCC(O1)SC2CCCCCC2 62a_100011217769_100000032252 [0,0,0,2,0,0|2,0,0]=4 17204 B15R2.1660 CC(=O)CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000053229 [0,0,0,2,0,0|2,0,0]=4 17205 B15R2.1660 NC(=O)CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000744528 [0,0,0,2,0,0|2,0,0]=4 17206 B15R2.1660 NC(=O)CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000744528 [0,0,0,2,0,0|2,0,0]=4 17207 B15R2.1660 NC(=O)CCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000731001 [0,0,0,2,0,0|2,0,0]=4 17208 B15R2.8792 O=C(O)C1CCN1C2CCCCC2F 269956a_100000021838_100015423560 [0,0,0,2,0,0|2,0,0]=4 17209 B15R2.8792 O=C(O)C1CCN1C2CCCCC2O 269956a_100000021838_100000038908 [0,0,0,2,0,0|2,0,0]=4 17210 B15R2.8833 CC1CCCCC1NCC2CC(=O)C2 2230a_100000211402_100009874392 [0,0,0,2,0,0|2,0,0]=4 17211 B15R2.8833 CC1CCCCC1OCC2CC(=O)C2 7a_100000211207_100009874392 [0,0,0,2,0,0|2,0,0]=4 17212 B15R2.68399 NC(=O)CCCNC1CCCC2C1C2 269862a_100000739312_100000697651 [0,0,0,2,0,0|2,0,0]=4 17213 B15R2.516 O=C(O)[C@@H]1CCCN1[C@@H]2CCC[C@H]2O 269956a_100000743916_200016002552 [0,0,0,2,0,0|2,0,0]=4 17214 B15R2.1238 CC(=O)CCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100011215641 [0,0,0,2,0,0|2,0,0]=4 17215 B15R2.1238 CC(=O)CCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000685027 [0,0,0,2,0,0|2,0,0]=4 17216 B15R2.1238 NC(=O)CCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100102525003 [0,0,0,2,0,0|2,0,0]=4 17217 B15R2.1238 NC(=O)CCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100102525003 [0,0,0,2,0,0|2,0,0]=4 17218 B15R2.68602 CC(=O)CCCCOC1CCC2C1C2 34a_200012295571_100009817362 [0,0,0,2,0,0|2,0,0]=4 17219 B15R2.68602 NC(=O)CCCCNC1CCC2C1C2 269862a_100000696515_100000692480 [0,0,0,2,0,0|2,0,0]=4 17220 B15R2.68602 NC(=O)CCCCNC1CCC2C1C2 270004a_100000696515_100000692480 [0,0,0,2,0,0|2,0,0]=4 17221 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 11a_100011206067_100015343762 [0,0,0,2,0,0|2,0,0]=4 17222 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 1626a_100011206067_100015343762 [0,0,0,2,0,0|2,0,0]=4 17223 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 240690a_100011206067_100015343762 [0,0,0,2,0,0|2,0,0]=4 17224 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 527a_100011206067_100103153847 [0,0,0,2,0,0|2,0,0]=4 17225 B15R2.63 NC(=O)[C@@H]1CCCN1C2CCCCC2 270004a_100000003125_100000210434 [0,0,0,2,0,0|2,0,0]=4 17226 B15R2.63 O=C(O)C1SCCN1C2CCCCC2 269956a_100000035718_100000210327 [0,0,0,2,0,0|2,0,0]=4 17227 B15R2.63 O=C(O)[C@@H]1CCCN1C2CCCCC2 269956a_100000743916_100000210327 [0,0,0,2,0,0|1,0,0]=3 17228 B15R2.63 O=C(O)[C@@H]1CCCN1C2CCCOC2 269956a_100000743916_100000693364 [0,0,0,2,0,0|2,0,0]=4 17229 B15R2.63 O=C(O)[C@@H]1CCCN1C2CCOCC2 269956a_100000743916_100011324220 [0,0,0,2,0,0|2,0,0]=4 17230 B15R2.63 O=C(O)[C@@H]1CCCN1C2CCSCC2 269956a_100000743916_100000069128 [0,0,0,2,0,0|2,0,0]=4 17231 B15R2.63 O=C(O)[C@@H]1CSCN1C2CCCCC2 269956a_100000743924_100000210327 [0,0,0,2,0,0|2,0,0]=4 17232 B15R2.1243 NC(=O)[C@@H]1CCCN1CC2CCCC2 2230a_100000003125_100000740388 [0,0,0,2,0,0|2,0,0]=4 17233 B15R2.1243 O=C(O)C1SCCN1CC2CCCC2 269956a_100000035718_100000740388 [0,0,0,2,0,0|2,0,0]=4 17234 B15R2.1243 O=C(O)[C@@H]1CCCN1CC2CCCC2 269956a_100000743916_100000740388 [0,0,0,2,0,0|1,0,0]=3 17235 B15R2.1243 O=C(O)[C@@H]1CCCN1CC2CCCO2 269956a_100000743916_100000183445 [0,0,0,2,0,0|2,0,0]=4 17236 B15R2.1243 O=C(O)[C@@H]1CCCN1CC2CCOC2 269956a_100000743916_100011261433 [0,0,0,2,0,0|2,0,0]=4 17237 B15R2.1243 O=C(O)[C@@H]1CSCN1CC2CCCC2 269956a_100000743924_100000740388 [0,0,0,2,0,0|2,0,0]=4 17238 B15R2.16392 O=C(O)[C@@H]1CCCN1CCCC2CO2 269956a_100000743916_100000733510 [0,0,0,2,0,0|2,0,0]=4 17239 B15R2.16228 NC(=O)CCCCCN1CC2CC2C1 2230a_100000741873_100009817443 [0,0,0,2,0,0|2,0,0]=4 17240 B15R2.16228 NC(=O)CCCCCN1CC2CC2C1 269982a_100000741873_100009817443 [0,0,0,2,0,0|2,0,0]=4 17241 B15R2.16228 NC(=O)CCCCCN1CC2CC2C1 34a_100000741873_100009817443 [0,0,0,2,0,0|2,0,0]=4 17242 B15R2.16228 NC(=O)CCCCNC1CC2CC2C1 270004a_100000696515_100010340937 [0,0,0,2,0,0|2,0,0]=4 17243 B15R2.617 O=C1CC(C1)CNCC2CCCCC2 2230a_100000210473_100009874392 [0,0,0,2,0,0|2,0,0]=4 17244 B15R2.617 O=C1CC(C1)COCC2CCCCC2 34a_100000101936_100000211423 [0,0,0,2,0,0|2,0,0]=4 17245 B15R2.617 O=C1CC(C1)COCC2CCCCC2 7a_100000212181_100009874392 [0,0,0,2,0,0|2,0,0]=4 17246 B15R2.617 O=C1CC(C1)CSCC2CCCCC2 62a_100000211423_100009874392 [0,0,0,2,0,0|2,0,0]=4 17247 B15R2.617 O=C1CC(C1)CSCC2CCCCC2 62a_100009874392_100000211423 [0,0,0,2,0,0|2,0,0]=4 17248 B15R2.617 O=C1CC(C1)SCCC2CCCCC2 62a_100009894365_100012355289 [0,0,0,2,0,0|2,0,0]=4 17249 B15R2.1241 O=C(O)C1CCN1CC2CCCCC2 269956a_100000021838_100000211423 [0,0,0,2,0,0|1,0,0]=3 17250 B15R2.1241 O=C(O)C1CCN1CC2CCCCO2 269956a_100000021838_100000211543 [0,0,0,2,0,0|2,0,0]=4 17251 B15R2.1241 O=C(O)C1CCN1CC2CCCOC2 269956a_100000021838_100000741521 [0,0,0,2,0,0|2,0,0]=4 17252 B15R2.1241 O=C(O)C1CCN1CC2CCOCC2 269956a_100000021838_100000754603 [0,0,0,2,0,0|2,0,0]=4 17253 B15R2.1661 NC(=O)CNCC1CC12CCCCC2 2230a_100015185624_100000747473 [0,0,0,2,0,0|2,0,0]=4 17254 B15R2.1661 NC(=O)CNCC1CC12CCCCC2 34a_100015185624_100000187820 [0,0,0,2,0,0|2,0,0]=4 17255 B15R2.1661 O=C([O-])CNCC1CC12CCCCC2 34a_100015185624_100020667443 [0,0,0,2,0,0|1,0,1]=4 17256 B15R2.68122 NC(=O)CN1CCCC2C1CCCC2 2230a_100000211887_100000747473 [0,0,0,2,0,0|2,0,0]=4 17257 B15R2.68122 NC(=O)CN1CCCC2C1CCCC2 269982a_100000211887_100000187820 [0,0,0,2,0,0|2,0,0]=4 17258 B15R2.68122 NC(=O)CN1CCCC2C1CCCC2 34a_100000211887_100000187820 [0,0,0,2,0,0|2,0,0]=4 17259 B15R2.68122 O=C([O-])CN1CCCC2C1CCCC2 269982a_100000211887_100020667443 [0,0,0,2,0,0|1,0,1]=4 17260 B15R2.68122 O=C([O-])CN1CCCC2C1CCCC2 34a_100000211887_100020667443 [0,0,0,2,0,0|1,0,1]=4 17261 B15R2.1087 O=C1CC(C1)CNCCC2CCCC2 2230a_100000739158_100009874392 [0,0,0,2,0,0|2,0,0]=4 17262 B15R2.1087 O=C1CC(C1)COCCC2CCCC2 34a_100000101936_100000760354 [0,0,0,2,0,0|2,0,0]=4 17263 B15R2.1087 O=C1CC(C1)COCCC2CCCC2 7a_100000749090_100009874392 [0,0,0,2,0,0|2,0,0]=4 17264 B15R2.1087 O=C1CC(C1)CSCCC2CCCC2 62a_100000760354_100009874392 [0,0,0,2,0,0|2,0,0]=4 17265 B15R2.1087 O=C1CC(C1)CSCCC2CCCC2 62a_100009874392_100000760354 [0,0,0,2,0,0|2,0,0]=4 17266 B15R2.1087 O=C1CC(C1)SCCCC2CCCC2 62a_100009894365_100011713738 [0,0,0,2,0,0|2,0,0]=4 17267 B15R2.1221 NC(=O)C1CCCCN1C2CCCC2 2230a_100000181395_100000179811 [0,0,0,2,0,0|2,0,0]=4 17268 B15R2.1221 NC(=O)C1CCCCN1C2CCCC2 269982a_100000181395_100000179811 [0,0,0,2,0,0|2,0,0]=4 17269 B15R2.1221 NC(=O)C1CCCCN1C2CCCC2 270004a_100000181395_100000210133 [0,0,0,2,0,0|2,0,0]=4 17270 B15R2.1221 NC(=O)C1CCCCN1C2CCCC2 34a_100000181395_100000179811 [0,0,0,2,0,0|2,0,0]=4 17271 B15R2.1221 O=C(O)C1CCSCN1C2CCCC2 269956a_100015185162_100000179811 [0,0,0,2,0,0|2,0,0]=4 17272 B15R2.1221 O=C(O)C1CSCCN1C2CCCC2 269956a_100011346106_100000179811 [0,0,0,2,0,0|2,0,0]=4 17273 B15R2.1221 O=C(O)[C@H]1CCCCN1C2CCCC2 269956a_100000763471_100000179811 [0,0,0,2,0,0|1,0,0]=3 17274 B15R2.1221 O=C(O)[C@H]1CCCCN1C2CCOC2 269956a_100000763471_100000731011 [0,0,0,2,0,0|2,0,0]=4 17275 B15R2.1221 O=C(O)[C@H]1COCCN1C2CCCC2 269956a_100016993156_100000179811 [0,0,0,2,0,0|2,0,0]=4 17276 B15R2.1236 O=C(O)C1CCN1CCC2CCCC2 269956a_100000021838_100000760354 [0,0,0,2,0,0|1,0,0]=3 17277 B15R2.1236 O=C(O)C1CCN1CCN2CCCC2 269956a_100000021838_100000004467 [0,0,0,2,0,0|2,0,0]=4 17278 B15R2.1253 NC(=O)CN1CCCC1C2CCCC2 2230a_100000743374_100000747473 [0,0,0,2,0,0|2,0,0]=4 17279 B15R2.1253 NC(=O)CN1CCCC1C2CCCC2 269982a_100000743374_100000187820 [0,0,0,2,0,0|2,0,0]=4 17280 B15R2.1253 NC(=O)CN1CCCC1C2CCCC2 34a_100000743374_100000187820 [0,0,0,2,0,0|2,0,0]=4 17281 B15R2.1253 O=C([O-])CN1CCCC1C2CCCC2 269982a_100000743374_100020667443 [0,0,0,2,0,0|1,0,1]=4 17282 B15R2.1253 O=C([O-])CN1CCCC1C2CCCC2 34a_100000743374_100020667443 [0,0,0,2,0,0|1,0,1]=4 17283 B15R2.726 CCCC1CCCCN1C2CC(=O)C2 269982a_100000701414_100009894365 [0,0,0,2,0,0|2,0,0]=4 17284 B15R2.4190 CCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000210202 [0,0,0,2,0,0|1,0,0]=3 17285 B15R2.4190 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CF 269956a_100000703543_100015361967 [0,0,0,2,0,0|2,0,0]=4 17286 B15R2.16162 O=C(O)CCC1CCCCN1C2CC2 269956a_100000694054_100000211595 [0,0,0,2,0,0|1,0,0]=3 17287 B15R2.19758 CC(=O)CCCN1CCCC1C2CC2 269982a_200000757794_100011215641 [0,0,0,2,0,0|2,0,0]=4 17288 B15R2.19758 CC(=O)CCCN1CCCC1C2CC2 34a_200000757794_100000685027 [0,0,0,2,0,0|2,0,0]=4 17289 B15R2.19758 NC(=O)CCCN1CCCC1C2CC2 269982a_200000757794_100102525003 [0,0,0,2,0,0|2,0,0]=4 17290 B15R2.19758 NC(=O)CCCN1CCCC1C2CC2 34a_200000757794_100102525003 [0,0,0,2,0,0|2,0,0]=4 17291 B15R2.82866 NC(=O)CNCC12CCCC1CCC2 2230a_100159271432_100000747473 [0,0,0,2,0,0|2,0,0]=4 17292 B15R2.82866 NC(=O)CNCC12CCCC1CCC2 34a_100159271432_100000187820 [0,0,0,2,0,0|2,0,0]=4 17293 B15R2.82866 O=C([O-])CNCC12CCCC1CCC2 34a_100159271432_100020667443 [0,0,0,2,0,0|1,0,1]=4 17294 B15R2.16245 O=C(O)C1CCCCCN1CC2CC2 269956a_100000758484_100000742324 [0,0,0,2,0,0|1,0,0]=3 17295 B15R2.16245 O=C(O)C1CCCCCN1CC2CO2 269956a_100000758484_102125554688 [0,0,0,2,0,0|2,0,0]=4 17296 B15R2.16245 O=C(O)C1CCCCCN1CC2CS2 269956a_100000758484_100000031435 [0,0,0,2,0,0|2,0,0]=4 17297 B15R2.16245 O=C(O)C1CCCCCN1C[C@@H]2CO2 269956a_100000758484_100000745022 [0,0,0,2,0,0|2,0,0]=4 17298 B15R2.69067 O=C(O)C1CCCCCN1C2CCC2 269956a_100000758484_100000749161 [0,0,0,2,0,0|1,0,0]=3 17299 B15R2.69067 O=C(O)C1CCCCCN1C2COC2 269956a_100000758484_100009818527 [0,0,0,2,0,0|2,0,0]=4 17300 B15R2.15210 O=C1CC(C1)CNC2CCCCCC2 2230a_100000210984_100009874392 [0,0,0,2,0,0|2,0,0]=4 17301 B15R2.15210 O=C1CC(C1)COC2CCCCCC2 34a_100000101936_100011217769 [0,0,0,2,0,0|2,0,0]=4 17302 B15R2.15210 O=C1CC(C1)COC2CCCCCC2 7a_100000210887_100009874392 [0,0,0,2,0,0|2,0,0]=4 17303 B15R2.15210 O=C1CC(C1)CSC2CCCCCC2 62a_100009874392_100011217769 [0,0,0,2,0,0|2,0,0]=4 17304 B15R2.15210 O=C1CC(C1)CSC2CCCCCC2 62a_100011217769_100009874392 [0,0,0,2,0,0|2,0,0]=4 17305 B15R2.15210 O=C1CC(C1)SCC2CCCCCC2 62a_100009894365_200000696569 [0,0,0,2,0,0|2,0,0]=4 17306 B15R2.15242 O=C1CC(C1)N2CCCCCCCC2 269982a_100000039187_100009894365 [0,0,0,2,0,0|2,0,0]=4 17307 B15R2.15298 O=C1CC(C1)CN2CCCCCCC2 2230a_100000211400_100009874392 [0,0,0,2,0,0|2,0,0]=4 17308 B15R2.15298 O=C1CC(C1)CN2CCCCCCC2 269982a_100000211400_100009874392 [0,0,0,2,0,0|2,0,0]=4 17309 B15R2.1162 CC(=O)N1C(CCC2C1CCCC2)C 11a_100132302184_100015343762 [0,0,0,2,0,0|2,0,0]=4 17310 B15R2.1162 CC(=O)N1C(CCC2C1CCCC2)C 240690a_100132302184_100015343762 [0,0,0,2,0,0|2,0,0]=4 17311 B15R2.1162 CC(=O)N1C(CCC2C1CCCC2)C 527a_100132302184_100103153847 [0,0,0,2,0,0|2,0,0]=4 17312 B15R2.19809 NC(=O)CC1CCCCN1CC2CC2 2230a_100015184752_100000742324 [0,0,0,2,0,0|2,0,0]=4 17313 B15R2.19809 NC(=O)CC1CCCCN1CC2CC2 269982a_100015184752_100000756562 [0,0,0,2,0,0|2,0,0]=4 17314 B15R2.19809 NC(=O)CC1CCCCN1CC2CC2 34a_100015184752_100000742324 [0,0,0,2,0,0|2,0,0]=4 17315 B15R2.19826 NC(=O)CC1CCCCN1C2CCC2 269982a_100015184752_100000749161 [0,0,0,2,0,0|2,0,0]=4 17316 B15R2.19826 NC(=O)CC1CCCCN1C2CCC2 270004a_100015184752_100000241760 [0,0,0,2,0,0|2,0,0]=4 17317 B15R2.19826 NC(=O)CC1CCCCN1C2CCC2 34a_100015184752_100000749161 [0,0,0,2,0,0|2,0,0]=4 17318 B15R2.714 CCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000210207 [0,0,0,2,0,0|1,0,0]=3 17319 B15R2.714 COCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000766300 [0,0,0,2,0,0|2,0,0]=4 17320 B15R2.714 CSCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100011218213 [0,0,0,2,0,0|2,0,0]=4 17321 B15R2.714 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCF 269956a_100015758391_100011217306 [0,0,0,2,0,0|2,0,0]=4 17322 B15R2.714 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCO 269956a_100015758391_100000211926 [0,0,0,2,0,0|2,0,0]=4 17323 B15R2.16319 NC(=O)C1CCCCN1CCC2CC2 2230a_100000181395_100000694398 [0,0,0,2,0,0|2,0,0]=4 17324 B15R2.16319 NC(=O)C1CCCCN1CCC2CC2 269982a_100000181395_100000694398 [0,0,0,2,0,0|2,0,0]=4 17325 B15R2.16319 NC(=O)C1CCCCN1CCC2CC2 34a_100000181395_100000694398 [0,0,0,2,0,0|2,0,0]=4 17326 B15R2.16319 O=C(O)C1CCSCN1CCC2CC2 269956a_100015185162_100000694398 [0,0,0,2,0,0|2,0,0]=4 17327 B15R2.16319 O=C(O)C1CSCCN1CCC2CC2 269956a_100011346106_100000694398 [0,0,0,2,0,0|2,0,0]=4 17328 B15R2.16319 O=C(O)[C@@H]1CCCC[C@H]1NCC2CC2 269956a_100009816435_100000742324 [0,0,0,2,0,0|1,0,0]=3 17329 B15R2.16319 O=C(O)[C@@H]1CCCC[C@H]1NCC2CO2 269956a_100009816435_102125554688 [0,0,0,2,0,0|2,0,0]=4 17330 B15R2.16319 O=C(O)[C@@H]1CCCC[C@H]1NCC2CS2 269956a_100009816435_100000031435 [0,0,0,2,0,0|2,0,0]=4 17331 B15R2.16319 O=C(O)[C@@H]1CCCC[C@H]1NC[C@@H]2CO2 269956a_100009816435_100000745022 [0,0,0,2,0,0|2,0,0]=4 17332 B15R2.16319 O=C(O)[C@H]1CCCCN1CCC2CC2 269956a_100000763471_100000694398 [0,0,0,2,0,0|1,0,0]=3 17333 B15R2.16319 O=C(O)[C@H]1CCCCN1CCC2CO2 269956a_100000763471_100000732470 [0,0,0,2,0,0|2,0,0]=4 17334 B15R2.16319 O=C(O)[C@H]1COCCN1CCC2CC2 269956a_100016993156_100000694398 [0,0,0,2,0,0|2,0,0]=4 17335 B15R2.16320 NC(=O)C1CCCCN1CC2CCC2 2230a_100000181395_100000763275 [0,0,0,2,0,0|2,0,0]=4 17336 B15R2.16320 NC(=O)C1CCCCN1CC2CCC2 269982a_100000181395_100000763275 [0,0,0,2,0,0|2,0,0]=4 17337 B15R2.16320 NC(=O)C1CCCCN1CC2CCC2 34a_100000181395_100000763275 [0,0,0,2,0,0|2,0,0]=4 17338 B15R2.16320 O=C(O)C1CCSCN1CC2CCC2 269956a_100015185162_100000763275 [0,0,0,2,0,0|2,0,0]=4 17339 B15R2.16320 O=C(O)C1CSCCN1CC2CCC2 269956a_100011346106_100000763275 [0,0,0,2,0,0|2,0,0]=4 17340 B15R2.16320 O=C(O)[C@@H]1CCCC[C@H]1NC2CCC2 269956a_100009816435_100000749161 [0,0,0,2,0,0|1,0,0]=3 17341 B15R2.16320 O=C(O)[C@@H]1CCCC[C@H]1NC2COC2 269956a_100009816435_100009818527 [0,0,0,2,0,0|2,0,0]=4 17342 B15R2.16320 O=C(O)[C@H]1CCCCN1CC2CCC2 269956a_100000763471_100000763275 [0,0,0,2,0,0|1,0,0]=3 17343 B15R2.16320 O=C(O)[C@H]1CCCCN1CC2CCO2 269956a_100000763471_100000103362 [0,0,0,2,0,0|2,0,0]=4 17344 B15R2.16320 O=C(O)[C@H]1CCCCN1CC2COC2 269956a_100000763471_100010264016 [0,0,0,2,0,0|2,0,0]=4 17345 B15R2.16320 O=C(O)[C@H]1COCCN1CC2CCC2 269956a_100016993156_100000763275 [0,0,0,2,0,0|2,0,0]=4 17346 B15R2.69054 O=C(O)C1CCN1C2CCCCCC2 269956a_100000021838_100011217769 [0,0,0,2,0,0|1,0,0]=3