0 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)C 34a_100000054667_100000685027 [0,0,0,0,0,0|3,0,1]=4 1 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)C 7a_100000054667_100011215641 [0,0,0,0,0,0|3,0,1]=4 2 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)N 34a_100000054667_100102525003 [0,0,0,0,0,0|3,0,1]=4 3 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)N 7a_100000054667_100102525003 [0,0,0,0,0,0|3,0,1]=4 4 B18R0.176 C#CCCCCCCCCCOCCCCC(=O)C 34a_100000034437_100009817362 [0,0,0,0,0,0|3,0,1]=4 5 B18R0.176 C#CCCCCCCCCCOCCCCC(=O)C 7a_100000034437_100000735457 [0,0,0,0,0,0|3,0,1]=4 6 B18R0.176 C#CCCCCCCCCOCCCCCC(=O)N 34a_100000065265_100009817443 [0,0,0,0,0,0|3,0,1]=4 7 B18R0.176 C#CCCCCCCCCOCCCCCC(=O)N 7a_100000065265_100009817443 [0,0,0,0,0,0|3,0,1]=4 8 B18R0.176 C#CCCCNCCCCCCCCCCC(=O)N 34a_100000718082_200010167045 [0,0,0,0,0,0|3,0,1]=4 9 B18R0.176 C#CCCCOCCCCCCCCCCC(=O)N 34a_100000215630_200010167045 [0,0,0,0,0,0|3,0,1]=4 10 B18R0.176 C#CCCCOCCCCCCCCCCC(=O)N 7a_100000215630_200010167045 [0,0,0,0,0,0|3,0,1]=4 11 B18R0.176 C#CCCCSCCCCCCCCCCC(=O)N 62a_100011215417_200010167045 [0,0,0,0,0,0|3,0,1]=4 12 B18R0.176 C#CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100011215417 [0,0,0,0,0,0|3,0,1]=4 13 B18R0.176 CC(=CCNCCCCCCCCCCCCO)C 2230a_100000066677_100000761012 [0,0,0,0,0,0|3,0,1]=4 14 B18R0.176 CC(=CCNCCCCCCCCCCCCO)C 34a_100000066677_100000761012 [0,0,0,0,0,0|3,0,1]=4 15 B18R0.176 CC(=CCNCCCCCCCCCCCCO)C 34a_100000718196_100009813331 [0,0,0,0,0,0|3,0,1]=4 16 B18R0.176 CC(=CCOCCCCCCCCCCCCO)C 34a_100000753907_100009813331 [0,0,0,0,0,0|3,0,1]=4 17 B18R0.176 CC(=O)NCCCCCCNCCCCCCCO 2230a_200011996284_100000760002 [0,0,0,0,0,0|3,0,0]=3 18 B18R0.176 CC(=O)NCCCCCCNCCCCCCCO 34a_200011996284_100000760002 [0,0,0,0,0,0|3,0,0]=3 19 B18R0.176 CC(=O)NCCCCCNCCCCCCCCO 2230a_200012022750_100000033203 [0,0,0,0,0,0|3,0,0]=3 20 B18R0.176 CC(=O)NCCCCCNCCCCCCCCO 34a_200012022750_100000033203 [0,0,0,0,0,0|3,0,0]=3 21 B18R0.176 CC(=O)NCCCCNCCCCCCCCCO 2230a_200011368371_100009813782 [0,0,0,0,0,0|3,0,0]=3 22 B18R0.176 CC(=O)NCCCCNCCCCCCCCCO 34a_200011368371_100009813782 [0,0,0,0,0,0|3,0,0]=3 23 B18R0.176 CC(=O)NCCCNCCCCCCCCCCO 34a_100000736810_100009813290 [0,0,0,0,0,0|3,0,0]=3 24 B18R0.176 CC(=O)NCCCOCCCCCCCCCCO 34a_100000752032_100009813290 [0,0,0,0,0,0|3,0,0]=3 25 B18R0.176 CC(=O)NCCNCCCCCCCCCCCO 2230a_100000209853_100009812471 [0,0,0,0,0,0|3,0,0]=3 26 B18R0.176 CC(=O)NCCOCCCCCCCCCCCBr 7a_100009812471_100000189650 [0,0,0,0,0,0|4,0,0]=4 27 B18R0.176 CC(=O)NCCOCCCCCCCCCCCO 34a_100000158858_100009812471 [0,0,0,0,0,0|3,0,0]=3 28 B18R0.176 CC(=O)NCCSCCCCCCCCCCCO 62a_100009812471_100000189650 [0,0,0,0,0,0|3,0,0]=3 29 B18R0.176 CC(=O)OCCCCCNCCCCCCCCO 2230a_102515433106_100009813381 [0,0,0,0,0,0|3,0,0]=3 30 B18R0.176 CC(=O)OCCCCCNCCCCCCCCO 34a_102515433106_100000033007 [0,0,0,0,0,0|3,0,0]=3 31 B18R0.176 CC(=O)OCCCCCOCCCCCCCCBr 34a_100009813846_100000033007 [0,0,0,0,0,0|4,0,0]=4 32 B18R0.176 CC(=O)OCCCCCOCCCCCCCCBr 7a_100009813846_100000033007 [0,0,0,0,0,0|4,0,0]=4 33 B18R0.176 CC(=O)OCCCCCOCCCCCCCCCl 34a_100000033203_100000033007 [0,0,0,0,0,0|4,0,0]=4 34 B18R0.176 CC(=O)OCCCCCOCCCCCCCCCl 7a_100000033203_100000033007 [0,0,0,0,0,0|4,0,0]=4 35 B18R0.176 CC(=O)OCCCCCOCCCCCCCCN 34a_102515433106_100000033007 [0,0,0,0,0,0|4,0,0]=4 36 B18R0.176 CC(=O)OCCCCCSCCCCCCCCO 62a_100000033007_100000033203 [0,0,0,0,0,0|3,0,0]=3 37 B18R0.176 CC(=O)OCCCCCSCCCCCCCCO 62a_100000033203_100000033007 [0,0,0,0,0,0|3,0,0]=3 38 B18R0.176 CC(=O)OCCCCNCCCCCCCCCO 34a_100000078944_100000033659 [0,0,0,0,0,0|3,0,0]=3 39 B18R0.176 CC(=O)OCCCCOCCCCCCCCCBr 34a_100009813782_100000033659 [0,0,0,0,0,0|4,0,0]=4 40 B18R0.176 CC(=O)OCCCCOCCCCCCCCCBr 7a_100009813782_100000033659 [0,0,0,0,0,0|4,0,0]=4 41 B18R0.176 CC(=O)OCCCCOCCCCCCCCCCl 34a_100009868337_100000033659 [0,0,0,0,0,0|4,0,0]=4 42 B18R0.176 CC(=O)OCCCCOCCCCCCCCCCl 7a_100009868337_100000033659 [0,0,0,0,0,0|4,0,0]=4 43 B18R0.176 CC(=O)OCCCCOCCCCCCCCCN 34a_100000078944_100000033659 [0,0,0,0,0,0|4,0,0]=4 44 B18R0.176 CC(=O)OCCCCOCCCCCCCCCO 34a_100000073216_100009813782 [0,0,0,0,0,0|3,0,0]=3 45 B18R0.176 CC(=O)OCCCCOCCCCCCCCCO 7a_100000073216_100009813782 [0,0,0,0,0,0|3,0,0]=3 46 B18R0.176 CC(=O)OCCCCSCCCCCCCCCO 62a_100000033659_100009813782 [0,0,0,0,0,0|3,0,0]=3 47 B18R0.176 CC(=O)OCCCCSCCCCCCCCCO 62a_100009813782_100000033659 [0,0,0,0,0,0|3,0,0]=3 48 B18R0.176 CC(=O)OCCCNCCCCCCCCCCO 34a_100000066964_100000042594 [0,0,0,0,0,0|3,0,0]=3 49 B18R0.176 CC(=O)OCCCOCCCCCCCCCCBr 34a_100009813290_100000042594 [0,0,0,0,0,0|4,0,0]=4 50 B18R0.176 CC(=O)OCCCOCCCCCCCCCCBr 7a_100009813290_100000042594 [0,0,0,0,0,0|4,0,0]=4 51 B18R0.176 CC(=O)OCCCOCCCCCCCCCCCl 34a_200000033068_100000042594 [0,0,0,0,0,0|4,0,0]=4 52 B18R0.176 CC(=O)OCCCOCCCCCCCCCCCl 7a_200000033068_100000042594 [0,0,0,0,0,0|4,0,0]=4 53 B18R0.176 CC(=O)OCCCOCCCCCCCCCCN 34a_100000066964_100000042594 [0,0,0,0,0,0|4,0,0]=4 54 B18R0.176 CC(=O)OCCCSCCCCCCCCCCO 62a_100000042594_200000033068 [0,0,0,0,0,0|3,0,0]=3 55 B18R0.176 CC(=O)OCCCSCCCCCCCCCCO 62a_100009813290_100000042594 [0,0,0,0,0,0|3,0,0]=3 56 B18R0.176 CC(=O)OCCOCCCCCCCCCCCBr 34a_100009812471_100009814007 [0,0,0,0,0,0|4,0,0]=4 57 B18R0.176 CC(=O)OCCOCCCCCCCCCCCBr 7a_100009812471_100009814007 [0,0,0,0,0,0|4,0,0]=4 58 B18R0.176 CC(=O)OCCOCCNCCCCCCCCO 2230a_102515433106_200000083610 [0,0,0,0,0,0|4,0,0]=4 59 B18R0.176 CC(=O)OCCOCCNCCCCCCCCO 34a_102515433106_200000083610 [0,0,0,0,0,0|4,0,0]=4 60 B18R0.176 CC(=O)OCCOCCSCCCCCCCCO 62a_100000033203_200000083610 [0,0,0,0,0,0|4,0,0]=4 61 B18R0.176 CC(=O)OCCOCCSCCCCCCCCO 62a_200000083610_100000033203 [0,0,0,0,0,0|4,0,0]=4 62 B18R0.176 CC(=O)OCCOCNCCCCCCCCCO 34a_100000078944_100000076355 [0,0,0,0,0,0|4,0,0]=4 63 B18R0.176 CC(=O)OCCOCSCCCCCCCCCO 62a_100000076355_100009813782 [0,0,0,0,0,0|4,0,0]=4 64 B18R0.176 CC(=O)OCCOCSCCCCCCCCCO 62a_100009813782_100000076355 [0,0,0,0,0,0|4,0,0]=4 65 B18R0.176 CC(=O)OCCSCCCCCCCCCCCO 62a_100009812471_100009814007 [0,0,0,0,0,0|3,0,0]=3 66 B18R0.176 CC(=O)OCNCCCCCCCCCCCCO 34a_100000066677_100009813279 [0,0,0,0,0,0|3,0,0]=3 67 B18R0.176 CC(=O)OCOCCCCCCCCCCCCBr 34a_100009813331_100009813279 [0,0,0,0,0,0|4,0,0]=4 68 B18R0.176 CC(=O)OCOCCCCCCCCCCCCN 34a_100000066677_100009813279 [0,0,0,0,0,0|4,0,0]=4 69 B18R0.176 CC(=O)OCSCCCCCCCCCCCCO 62a_100009813331_100000076356 [0,0,0,0,0,0|3,0,0]=3 70 B18R0.176 CC(=O)OCSCCCCCCOCCCCCO 62a_100000076356_200132310570 [0,0,0,0,0,0|4,0,0]=4 71 B18R0.176 CC(=O)OCSCCCCCCOCCCCCO 62a_200132310570_100000076356 [0,0,0,0,0,0|4,0,0]=4 72 B18R0.176 CC(=O)SCCCCCCCCCCCNCCF 34a_100000724931_100010140907 [0,0,0,0,0,0|4,0,0]=4 73 B18R0.176 CC(=O)SCCCCCCCCCCCNCCO 2230a_100016997473_100010140907 [0,0,0,0,0,0|3,0,0]=3 74 B18R0.176 CC(=O)SCCCCCCCCCCCNCCO 34a_100016990907_100010140907 [0,0,0,0,0,0|3,0,0]=3 75 B18R0.176 CC(=O)SCCCCCCCCCCCOCCN 34a_100000210304_100010140907 [0,0,0,0,0,0|4,0,0]=4 76 B18R0.176 CC(=O)SCCCCCCCCCCCSCCO 62a_100000211926_100010140907 [0,0,0,0,0,0|3,0,0]=3 77 B18R0.176 CC(=O)SCCCCCCCCCCCSCCO 62a_100010140907_100000211926 [0,0,0,0,0,0|3,0,0]=3 78 B18R0.176 CC(=O)SCCCCNCCCCCCCCCO 2230a_100000078944_200010402107 [0,0,0,0,0,0|3,0,0]=3 79 B18R0.176 CC(=O)SCCCCNCCCCCCCCCO 34a_100000078944_200010402107 [0,0,0,0,0,0|3,0,0]=3 80 B18R0.176 CC(=O)SCCCCOCCCCCCCCCN 34a_100000078944_200010402107 [0,0,0,0,0,0|4,0,0]=4 81 B18R0.176 CC(=O)SCCCCSCCCCCCCCCO 62a_100009813782_200010402107 [0,0,0,0,0,0|3,0,0]=3 82 B18R0.176 CC(=O)SCCCCSCCCCCCCCCO 62a_200010402107_100009813782 [0,0,0,0,0,0|3,0,0]=3 83 B18R0.176 CC(=O)SCCCNCCCCCCCCCCO 2230a_100000066964_100000038929 [0,0,0,0,0,0|3,0,0]=3 84 B18R0.176 CC(=O)SCCCNCCCCCCCCCCO 34a_100000066964_100000038929 [0,0,0,0,0,0|3,0,0]=3 85 B18R0.176 CC(=O)SCCCOCCCCCCCCCCN 34a_100000066964_100000038929 [0,0,0,0,0,0|4,0,0]=4 86 B18R0.176 CC(=O)SCCCSCCCCCCCCCCO 62a_100000038929_200000033068 [0,0,0,0,0,0|3,0,0]=3 87 B18R0.176 CC(=O)SCCCSCCCCCCCCCCO 62a_100009813290_100000038929 [0,0,0,0,0,0|3,0,0]=3 88 B18R0.176 CC(=S)OCCCNCCCCCCCCCCO 2230a_100000066964_200135323944 [0,0,0,0,0,0|3,1,0]=4 89 B18R0.176 CC(=S)OCCCNCCCCCCCCCCO 34a_100000066964_200135323944 [0,0,0,0,0,0|3,1,0]=4 90 B18R0.176 CC(=S)OCCCSCCCCCCCCCCO 62a_100009813290_200135323944 [0,0,0,0,0,0|3,1,0]=4 91 B18R0.176 CC(=S)OCCCSCCCCCCCCCCO 62a_200135323944_200000033068 [0,0,0,0,0,0|3,1,0]=4 92 B18R0.176 CCCCCCCCCCCCCNCOC(=O)C 34a_100011215765_100009813279 [0,0,0,0,0,0|4,0,0]=4 93 B18R0.176 CCCCCCCCCCCCCOCOC(=O)C 34a_100000185773_100009813279 [0,0,0,0,0,0|4,0,0]=4 94 B18R0.176 CCCCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011215052 [0,0,0,0,0,0|4,0,0]=4 95 B18R0.176 CCCCCCCCCCCCNCCNC(=O)C 2230a_100000210451_100000189650 [0,0,0,0,0,0|4,0,0]=4 96 B18R0.176 CCCCCCCCCCCCNCCNC(=O)N 2230a_100000210451_200000034859 [0,0,0,0,0,0|4,0,0]=4 97 B18R0.176 CCCCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000759014 [0,0,0,0,0,0|4,0,0]=4 98 B18R0.176 CCCCCCCCCCCCNCCOC(=O)C 34a_100000210451_100009814007 [0,0,0,0,0,0|4,0,0]=4 99 B18R0.176 CCCCCCCCCCCCNCCOC(=O)N 34a_100000210451_200011214921 [0,0,0,0,0,0|4,0,0]=4 100 B18R0.176 CCCCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000759014 [0,0,0,0,0,0|4,0,0]=4 101 B18R0.176 CCCCCCCCCCCCOCCNC(=O)C 7a_100000210810_100000189650 [0,0,0,0,0,0|4,0,0]=4 102 B18R0.176 CCCCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000759014 [0,0,0,0,0,0|4,0,0]=4 103 B18R0.176 CCCCCCCCCCCCOCCNC(=O)N 7a_100000210810_200000034859 [0,0,0,0,0,0|4,0,0]=4 104 B18R0.176 CCCCCCCCCCCCOCCOC(=O)C 34a_100000210810_100009814007 [0,0,0,0,0,0|4,0,0]=4 105 B18R0.176 CCCCCCCCCCCCOCCOC(=O)C 7a_100000210810_100009814007 [0,0,0,0,0,0|4,0,0]=4 106 B18R0.176 CCCCCCCCCCCCOCCOC(=O)N 34a_100000210810_200011214921 [0,0,0,0,0,0|4,0,0]=4 107 B18R0.176 CCCCCCCCCCCCOCCOC(=O)N 7a_100000210810_200011214921 [0,0,0,0,0,0|4,0,0]=4 108 B18R0.176 CCCCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000759014 [0,0,0,0,0,0|4,0,0]=4 109 B18R0.176 CCCCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000759014 [0,0,0,0,0,0|4,0,0]=4 110 B18R0.176 CCCCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000759014 [0,0,0,0,0,0|4,0,0]=4 111 B18R0.176 CCCCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000759014 [0,0,0,0,0,0|4,0,0]=4 112 B18R0.176 CCCCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011215454 [0,0,0,0,0,0|4,0,0]=4 113 B18R0.176 CCCCCCCCCCCNCCCOC(=O)C 34a_200011215754_100000042594 [0,0,0,0,0,0|4,0,0]=4 114 B18R0.176 CCCCCCCCCCCNCCCSC(=O)C 2230a_200011215754_100000038929 [0,0,0,0,0,0|4,0,0]=4 115 B18R0.176 CCCCCCCCCCCNCCCSC(=O)C 34a_200011215754_100000038929 [0,0,0,0,0,0|4,0,0]=4 116 B18R0.176 CCCCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011215454 [0,0,0,0,0,0|4,0,0]=4 117 B18R0.176 CCCCCCCCCCCOCCCOC(=O)C 34a_100000210809_100000042594 [0,0,0,0,0,0|4,0,0]=4 118 B18R0.176 CCCCCCCCCCCOCCCOC(=O)C 7a_100000210809_100000042594 [0,0,0,0,0,0|4,0,0]=4 119 B18R0.176 CCCCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210320 [0,0,0,0,0,0|4,0,0]=4 120 B18R0.176 CCCCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210320 [0,0,0,0,0,0|4,0,0]=4 121 B18R0.176 CCCCCCCCCCNCCCCOC(=O)C 34a_100000684558_100000033659 [0,0,0,0,0,0|4,0,0]=4 122 B18R0.176 CCCCCCCCCCNCCCCSC(=O)C 2230a_100000684558_200010402107 [0,0,0,0,0,0|4,0,0]=4 123 B18R0.176 CCCCCCCCCCNCCCCSC(=O)C 34a_100000684558_200010402107 [0,0,0,0,0,0|4,0,0]=4 124 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210320 [0,0,0,0,0,0|4,0,0]=4 125 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 34a_100000210711_100000033659 [0,0,0,0,0,0|4,0,0]=4 126 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210320 [0,0,0,0,0,0|4,0,0]=4 127 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 7a_100000210711_100000033659 [0,0,0,0,0,0|4,0,0]=4 128 B18R0.176 CCCCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100011214924 [0,0,0,0,0,0|4,0,0]=4 129 B18R0.176 CCCCCCCCCNCCCCCNC(=O)C 34a_200012022750_100011214924 [0,0,0,0,0,0|4,0,0]=4 130 B18R0.176 CCCCCCCCCNCCCCCOC(=O)C 2230a_100000212291_100009813381 [0,0,0,0,0,0|4,0,0]=4 131 B18R0.176 CCCCCCCCCNCCCCCOC(=O)C 34a_100000212291_100000033007 [0,0,0,0,0,0|4,0,0]=4 132 B18R0.176 CCCCCCCCCOCCCCCOC(=O)C 34a_100000210712_100000033007 [0,0,0,0,0,0|4,0,0]=4 133 B18R0.176 CCCCCCCCCOCCCCCOC(=O)C 7a_100000210712_100000033007 [0,0,0,0,0,0|4,0,0]=4 134 B18R0.176 CCCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210759 [0,0,0,0,0,0|4,0,0]=4 135 B18R0.176 CCCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210759 [0,0,0,0,0,0|4,0,0]=4 136 B18R0.176 N#CCCCSCCCCCCCCCCC(=O)N 62a_100000687738_200010167045 [0,0,0,0,0,0|3,0,1]=4 137 B18R0.176 N#CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000687738 [0,0,0,0,0,0|3,0,1]=4 138 B18R0.176 NC(=O)CCCCCCCCCCSCC#CCO 62a_200000047223_200010167045 [0,0,0,0,0,0|2,0,2]=4 139 B18R0.176 NC(=O)CCCCCCCCCCSCC#CCO 62a_200010167045_200000047223 [0,0,0,0,0,0|2,0,2]=4 140 B18R0.176 NC(=O)NCCNCCCCCCCCCCCO 34a_100020590234_100009812471 [0,0,0,0,0,0|3,0,0]=3 141 B18R0.176 NC(=O)NCCOCCCCCCCCCCCBr 7a_100009812471_200000034859 [0,0,0,0,0,0|4,0,0]=4 142 B18R0.176 NC(=O)NCCOCCCCCCCCCCCO 34a_100000181757_100009812471 [0,0,0,0,0,0|3,0,0]=3 143 B18R0.176 NC(=O)NCCSCCCCCCCCCCCO 62a_100009812471_200000034859 [0,0,0,0,0,0|3,0,0]=3 144 B18R0.176 NC(=O)OCCOCCCCCCCCCCCBr 34a_100009812471_200011214921 [0,0,0,0,0,0|4,0,0]=4 145 B18R0.176 NC(=O)OCCOCCCCCCCCCCCBr 7a_100009812471_200011214921 [0,0,0,0,0,0|4,0,0]=4 146 B18R0.176 NC(=O)OCCOCCCCCCCCCCCO 7a_100000766696_100009812471 [0,0,0,0,0,0|3,0,0]=3 147 B18R0.176 NC(=O)OCCSCCCCCCCCCCCO 62a_100009812471_200011214921 [0,0,0,0,0,0|3,0,0]=3 148 B17R0.43 C=C(Br)CCOCCCCCCCCCCCO 34a_100009813270_100009812471 [1,0,0,0,0,0|3,0,0]=4 149 B17R0.43 C=C(C)CCOCCCCCCCCCCCO 34a_100000764851_100009812471 [1,0,0,0,0,0|3,0,0]=4 150 B17R0.43 C=C(C)CNCCCCCCCCCCCCO 2230a_100000066677_100000748629 [1,0,0,0,0,0|3,0,0]=4 151 B17R0.43 C=C(C)CNCCCCCCCCCCCCO 34a_100000066677_100000748629 [1,0,0,0,0,0|3,0,0]=4 152 B17R0.43 C=C(C)COCCCCCCCCCCCCO 34a_100000210245_100009813331 [1,0,0,0,0,0|3,0,0]=4 153 B17R0.43 C=C(F)CNCCCCCCCCCCCCO 2230a_100000066677_100009893438 [1,0,0,0,0,0|3,0,0]=4 154 B17R0.43 C=C(F)CNCCCCCCCCCCCCO 34a_100000066677_100009893438 [1,0,0,0,0,0|3,0,0]=4 155 B17R0.43 C=C(F)COCCCCCCCCCCCCO 34a_200010262243_100009813331 [1,0,0,0,0,0|3,0,0]=4 156 B17R0.43 C=CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_102130925996 [1,0,0,0,0,0|1,0,2]=4 157 B17R0.43 CC(=O)CCCCCCCCCCCCCCO 1458a_100000070787_100009828009 [1,0,0,0,0,0|1,0,0]=2 158 B17R0.43 CC(=O)CCCCNCCCCCCCCCO 34a_100000078944_100009817362 [1,0,0,0,0,0|2,0,0]=3 159 B17R0.43 CC(=O)CCCCOCCCCCCCCCBr 34a_100009813782_100009817362 [1,0,0,0,0,0|3,0,0]=4 160 B17R0.43 CC(=O)CCCCOCCCCCCCCCBr 7a_100009813782_100000735457 [1,0,0,0,0,0|3,0,0]=4 161 B17R0.43 CC(=O)CCCCOCCCCCCCCCCl 34a_100009868337_100009817362 [1,0,0,0,0,0|3,0,0]=4 162 B17R0.43 CC(=O)CCCCOCCCCCCCCCCl 7a_100009868337_100000735457 [1,0,0,0,0,0|3,0,0]=4 163 B17R0.43 CC(=O)CCCCOCCCCCCCCCN 34a_100000078944_100009817362 [1,0,0,0,0,0|3,0,0]=4 164 B17R0.43 CC(=O)CCCCSCCCCCCCCCO 62a_100000735457_100009813782 [1,0,0,0,0,0|2,0,0]=3 165 B17R0.43 CC(=O)CCCCSCCCCCCCCCO 62a_100009813782_100000735457 [1,0,0,0,0,0|2,0,0]=3 166 B17R0.43 CC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000685027 [1,0,0,0,0,0|2,0,0]=3 167 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000685027 [1,0,0,0,0,0|3,0,0]=4 168 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100011215641 [1,0,0,0,0,0|3,0,0]=4 169 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000685027 [1,0,0,0,0,0|3,0,0]=4 170 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100011215641 [1,0,0,0,0,0|3,0,0]=4 171 B17R0.43 CC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000685027 [1,0,0,0,0,0|3,0,0]=4 172 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 34a_100000759063_100009813290 [1,0,0,0,0,0|2,0,0]=3 173 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 7a_100000759063_100009813290 [1,0,0,0,0,0|2,0,0]=3 174 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100011215641 [1,0,0,0,0,0|2,0,0]=3 175 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100011215641_200000033068 [1,0,0,0,0,0|2,0,0]=3 176 B17R0.43 CC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000053229 [1,0,0,0,0,0|3,0,0]=4 177 B17R0.43 CC(=O)CCOCCCCCCCCCCCO 34a_100000759926_100009812471 [1,0,0,0,0,0|2,0,0]=3 178 B17R0.43 CC(=O)CCOCCCCCCCCCCCO 7a_100000759926_100009812471 [1,0,0,0,0,0|2,0,0]=3 179 B17R0.43 CC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000053229 [1,0,0,0,0,0|2,0,0]=3 180 B17R0.43 CC(=O)COCCCCCCCCCCCCO 34a_100000211253_100009813331 [1,0,0,0,0,0|2,0,0]=3 181 B17R0.43 CC(=O)COCCCCCCOCCCCCO 34a_100000211253_200132310570 [1,0,0,0,0,0|3,0,0]=4 182 B17R0.43 CC(=O)NCCCCCCNCCCCCCO 2230a_200011996284_100000766143 [1,0,0,0,0,0|3,0,0]=4 183 B17R0.43 CC(=O)NCCCCCCNCCCCCCO 34a_200011996284_100000766143 [1,0,0,0,0,0|3,0,0]=4 184 B17R0.43 CC(=O)NCCCCCNCCCCCCCO 2230a_200012022750_100000760002 [1,0,0,0,0,0|3,0,0]=4 185 B17R0.43 CC(=O)NCCCCCNCCCCCCCO 34a_200012022750_100000760002 [1,0,0,0,0,0|3,0,0]=4 186 B17R0.43 CC(=O)NCCCCNCCCCCCCCO 2230a_200011368371_100000033203 [1,0,0,0,0,0|3,0,0]=4 187 B17R0.43 CC(=O)NCCCCNCCCCCCCCO 34a_200011368371_100000033203 [1,0,0,0,0,0|3,0,0]=4 188 B17R0.43 CC(=O)NCCCNCCCCCCCCCO 34a_100000736810_100009813782 [1,0,0,0,0,0|3,0,0]=4 189 B17R0.43 CC(=O)NCCCOCCCCCCCCCO 34a_100000752032_100009813782 [1,0,0,0,0,0|3,0,0]=4 190 B17R0.43 CC(=O)NCCNCCCCCCCCCCO 2230a_100000066964_100000189650 [1,0,0,0,0,0|3,0,0]=4 191 B17R0.43 CC(=O)NCCNCCCCCCCCCCO 2230a_100000209853_100009813290 [1,0,0,0,0,0|3,0,0]=4 192 B17R0.43 CC(=O)NCCOCCCCCCCCCCO 34a_100000158858_100009813290 [1,0,0,0,0,0|3,0,0]=4 193 B17R0.43 CC(=O)NCCSCCCCCCCCCCO 62a_100000189650_200000033068 [1,0,0,0,0,0|3,0,0]=4 194 B17R0.43 CC(=O)NCCSCCCCCCCCCCO 62a_100009813290_100000189650 [1,0,0,0,0,0|3,0,0]=4 195 B17R0.43 CC(=O)OCCCCCNCCCCCCCO 2230a_100011996573_100009813381 [1,0,0,0,0,0|3,0,0]=4 196 B17R0.43 CC(=O)OCCCCCNCCCCCCCO 34a_100011996573_100000033007 [1,0,0,0,0,0|3,0,0]=4 197 B17R0.43 CC(=O)OCCCCCSCCCCCCCO 62a_100000033007_100000760002 [1,0,0,0,0,0|3,0,0]=4 198 B17R0.43 CC(=O)OCCCCCSCCCCCCCO 62a_100000760002_100000033007 [1,0,0,0,0,0|3,0,0]=4 199 B17R0.43 CC(=O)OCCCCNCCCCCCCCO 34a_102515433106_100000033659 [1,0,0,0,0,0|3,0,0]=4 200 B17R0.43 CC(=O)OCCCCOCCCCCCCCO 34a_100000073216_100000033203 [1,0,0,0,0,0|3,0,0]=4 201 B17R0.43 CC(=O)OCCCCOCCCCCCCCO 7a_100000073216_100000033203 [1,0,0,0,0,0|3,0,0]=4 202 B17R0.43 CC(=O)OCCCCSCCCCCCCCO 62a_100000033203_100000033659 [1,0,0,0,0,0|3,0,0]=4 203 B17R0.43 CC(=O)OCCCCSCCCCCCCCO 62a_100000033659_100000033203 [1,0,0,0,0,0|3,0,0]=4 204 B17R0.43 CC(=O)OCCCNCCCCCCCCCO 34a_100000078944_100000042594 [1,0,0,0,0,0|3,0,0]=4 205 B17R0.43 CC(=O)OCCCSCCCCCCCCCO 62a_100000042594_100009813782 [1,0,0,0,0,0|3,0,0]=4 206 B17R0.43 CC(=O)OCCCSCCCCCCCCCO 62a_100009813782_100000042594 [1,0,0,0,0,0|3,0,0]=4 207 B17R0.43 CC(=O)OCCNCCCCCCCCCCO 34a_100000066964_100009814007 [1,0,0,0,0,0|3,0,0]=4 208 B17R0.43 CC(=O)OCCSCCCCCCCCCCO 62a_100009813290_100009814007 [1,0,0,0,0,0|3,0,0]=4 209 B17R0.43 CC(=O)OCCSCCCCCCCCCCO 62a_100009814007_200000033068 [1,0,0,0,0,0|3,0,0]=4 210 B17R0.43 CC(=O)OCSCCCCCCCCCCCO 62a_100009812471_100000076356 [1,0,0,0,0,0|3,0,0]=4 211 B17R0.43 CC(=O)SCCCCNCCCCCCCCO 2230a_102515433106_200010402107 [1,0,0,0,0,0|3,0,0]=4 212 B17R0.43 CC(=O)SCCCCNCCCCCCCCO 34a_102515433106_200010402107 [1,0,0,0,0,0|3,0,0]=4 213 B17R0.43 CC(=O)SCCCCSCCCCCCCCO 62a_100000033203_200010402107 [1,0,0,0,0,0|3,0,0]=4 214 B17R0.43 CC(=O)SCCCCSCCCCCCCCO 62a_200010402107_100000033203 [1,0,0,0,0,0|3,0,0]=4 215 B17R0.43 CC(=O)SCCCNCCCCCCCCCO 2230a_100000078944_100000038929 [1,0,0,0,0,0|3,0,0]=4 216 B17R0.43 CC(=O)SCCCNCCCCCCCCCO 34a_100000078944_100000038929 [1,0,0,0,0,0|3,0,0]=4 217 B17R0.43 CC(=O)SCCCSCCCCCCCCCO 62a_100000038929_100009813782 [1,0,0,0,0,0|3,0,0]=4 218 B17R0.43 CC(=O)SCCCSCCCCCCCCCO 62a_100009813782_100000038929 [1,0,0,0,0,0|3,0,0]=4 219 B17R0.43 CC(O)CCCNCCCCCCCCCCO 2230a_100000066964_200000718107 [1,0,0,0,0,0|2,0,1]=4 220 B17R0.43 CC(O)CCCNCCCCCCCCCCO 34a_100000066964_200000718107 [1,0,0,0,0,0|2,0,1]=4 221 B17R0.43 CC(O)CCCSCCCCCCCCCCO 62a_100009813290_200000718107 [1,0,0,0,0,0|2,0,1]=4 222 B17R0.43 CC(O)CCCSCCCCCCCCCCO 62a_200000718107_200000033068 [1,0,0,0,0,0|2,0,1]=4 223 B17R0.43 CC(O)CCNCCCCCCCCCCCO 2230a_200000755665_100009812471 [1,0,0,0,0,0|2,0,1]=4 224 B17R0.43 CC(O)CCSCCCCCCCCCCCO 62a_100009812471_100012276601 [1,0,0,0,0,0|2,0,1]=4 225 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000066677_100011218427 [1,0,0,0,0,0|2,0,1]=4 226 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000210904_100009813331 [1,0,0,0,0,0|2,0,1]=4 227 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000066677_100011218427 [1,0,0,0,0,0|2,0,1]=4 228 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000210904_100009813331 [1,0,0,0,0,0|2,0,1]=4 229 B17R0.43 CC(O)CSCCCCCCCCCCCCO 62a_100009813331_100011218427 [1,0,0,0,0,0|2,0,1]=4 230 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 11a_100011217771_100015343762 [1,0,0,0,0,0|2,0,0]=3 231 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 1626a_100011217771_100015343762 [1,0,0,0,0,0|2,0,0]=3 232 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 240690a_100011217771_100015343762 [1,0,0,0,0,0|2,0,0]=3 233 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 527a_100011217771_100103153847 [1,0,0,0,0,0|2,0,0]=3 234 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210684 [1,0,0,0,0,0|2,0,0]=3 235 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100011215765_100000747473 [1,0,0,0,0,0|2,0,0]=3 236 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 34a_100011215765_100000187820 [1,0,0,0,0,0|2,0,0]=3 237 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [1,0,0,0,0,0|1,0,0]=2 238 B17R0.43 CCCCCCCCCCCCCNCC(=O)[O-] 34a_100011215765_100020667443 [1,0,0,0,0,0|1,0,1]=3 239 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100000210904_100000210684 [1,0,0,0,0,0|2,0,1]=4 240 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100011215765_100011218427 [1,0,0,0,0,0|2,0,1]=4 241 B17R0.43 CCCCCCCCCCCCCNCC(C)O 270004a_100000210904_200011215488 [1,0,0,0,0,0|2,0,1]=4 242 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100000210904_100000210684 [1,0,0,0,0,0|2,0,1]=4 243 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100011215765_100011218427 [1,0,0,0,0,0|2,0,1]=4 244 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 2230a_100011215765_100009817552 [1,0,0,0,0,0|2,0,1]=4 245 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 34a_100011215765_100009817552 [1,0,0,0,0,0|2,0,1]=4 246 B17R0.43 CCCCCCCCCCCCCNC[N+](=O)[O-] 34a_100011215765_100000761209 [1,0,0,0,0,0|2,0,1]=4 247 B17R0.43 CCCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000210684 [1,0,0,0,0,0|2,0,0]=3 248 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 34a_100000185773_100000187820 [1,0,0,0,0,0|2,0,0]=3 249 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 7a_100000185773_100000187820 [1,0,0,0,0,0|2,0,0]=3 250 B17R0.43 CCCCCCCCCCCCCOCC(=O)[O-] 34a_100000185773_100020667443 [1,0,0,0,0,0|1,0,1]=3 251 B17R0.43 CCCCCCCCCCCCCOCC(C)O 34a_100000185773_100011218427 [1,0,0,0,0,0|2,0,1]=4 252 B17R0.43 CCCCCCCCCCCCCOCC(C)O 7a_100000185773_100011218427 [1,0,0,0,0,0|2,0,1]=4 253 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 34a_100000185773_100009817552 [1,0,0,0,0,0|2,0,1]=4 254 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 7a_100000185773_100009817552 [1,0,0,0,0,0|2,0,1]=4 255 B17R0.43 CCCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000185773_100000761209 [1,0,0,0,0,0|2,0,1]=4 256 B17R0.43 CCCCCCCCCCCCCSCC(=O)N 62a_100000747473_100011934334 [1,0,0,0,0,0|2,0,0]=3 257 B17R0.43 CCCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011934334 [1,0,0,0,0,0|1,0,1]=3 258 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 2230a_100000210451_100000744528 [1,0,0,0,0,0|2,0,0]=3 259 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 34a_100000210451_100000731001 [1,0,0,0,0,0|2,0,0]=3 260 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_100000210451_100012276601 [1,0,0,0,0,0|2,0,1]=4 261 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215052 [1,0,0,0,0,0|2,0,1]=4 262 B17R0.43 CCCCCCCCCCCCNCCC(C)O 270004a_200000755665_100011218549 [1,0,0,0,0,0|2,0,1]=4 263 B17R0.43 CCCCCCCCCCCCNCCC(C)O 34a_100000210451_100012276601 [1,0,0,0,0,0|2,0,1]=4 264 B17R0.43 CCCCCCCCCCCCNCOC(=O)C 34a_100000210451_100009813279 [1,0,0,0,0,0|3,0,0]=4 265 B17R0.43 CCCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000759014 [1,0,0,0,0,0|2,0,0]=3 266 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 34a_100000759926_100000759014 [1,0,0,0,0,0|2,0,0]=3 267 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000210810_100000053229 [1,0,0,0,0,0|2,0,0]=3 268 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000759926_100000759014 [1,0,0,0,0,0|2,0,0]=3 269 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000210810_100000731001 [1,0,0,0,0,0|2,0,0]=3 270 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000757172_100000759014 [1,0,0,0,0,0|2,0,0]=3 271 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000210810_100000744528 [1,0,0,0,0,0|2,0,0]=3 272 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000757172_100000759014 [1,0,0,0,0,0|2,0,0]=3 273 B17R0.43 CCCCCCCCCCCCOCCC(C)O 34a_100000210810_100012276601 [1,0,0,0,0,0|2,0,1]=4 274 B17R0.43 CCCCCCCCCCCCOCCC(C)O 7a_100000210810_100012276601 [1,0,0,0,0,0|2,0,1]=4 275 B17R0.43 CCCCCCCCCCCCOCOC(=O)C 34a_100000210810_100009813279 [1,0,0,0,0,0|3,0,0]=4 276 B17R0.43 CCCCCCCCCCCCSCCC(=O)N 62a_100000744528_100000759014 [1,0,0,0,0,0|2,0,0]=3 277 B17R0.43 CCCCCCCCCCCNCCCC(=O)C 34a_200011215754_100000685027 [1,0,0,0,0,0|2,0,0]=3 278 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_100000739312_100011215454 [1,0,0,0,0,0|2,0,0]=3 279 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_200011215754_100102525003 [1,0,0,0,0,0|2,0,0]=3 280 B17R0.43 CCCCCCCCCCCNCCCC(C)O 2230a_200011215754_200000718107 [1,0,0,0,0,0|2,0,1]=4 281 B17R0.43 CCCCCCCCCCCNCCCC(C)O 34a_200011215754_200000718107 [1,0,0,0,0,0|2,0,1]=4 282 B17R0.43 CCCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011215454 [1,0,0,0,0,0|3,0,0]=4 283 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011215454 [1,0,0,0,0,0|3,0,0]=4 284 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_200011215754_100000189650 [1,0,0,0,0,0|3,0,0]=4 285 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 2230a_200011215754_200000034859 [1,0,0,0,0,0|3,0,0]=4 286 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 34a_100020590234_100011215454 [1,0,0,0,0,0|3,0,0]=4 287 B17R0.43 CCCCCCCCCCCNCCOC(=O)C 34a_200011215754_100009814007 [1,0,0,0,0,0|3,0,0]=4 288 B17R0.43 CCCCCCCCCCCNCCOC(=O)N 34a_200011215754_200011214921 [1,0,0,0,0,0|3,0,0]=4 289 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000210809_100000685027 [1,0,0,0,0,0|2,0,0]=3 290 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000759063_100011215454 [1,0,0,0,0,0|2,0,0]=3 291 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000210809_100011215641 [1,0,0,0,0,0|2,0,0]=3 292 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000759063_100011215454 [1,0,0,0,0,0|2,0,0]=3 293 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 34a_100000210809_100102525003 [1,0,0,0,0,0|2,0,0]=3 294 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 7a_100000210809_100102525003 [1,0,0,0,0,0|2,0,0]=3 295 B17R0.43 CCCCCCCCCCCOCCCC(C)O 34a_100000210809_200000718107 [1,0,0,0,0,0|2,0,1]=4 296 B17R0.43 CCCCCCCCCCCOCCCC(C)O 7a_100000210809_200000718107 [1,0,0,0,0,0|2,0,1]=4 297 B17R0.43 CCCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215454 [1,0,0,0,0,0|2,0,1]=4 298 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 34a_100000158858_100011215454 [1,0,0,0,0,0|3,0,0]=4 299 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 7a_100000210809_100000189650 [1,0,0,0,0,0|3,0,0]=4 300 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 34a_100000181757_100011215454 [1,0,0,0,0,0|3,0,0]=4 301 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 7a_100000210809_200000034859 [1,0,0,0,0,0|3,0,0]=4 302 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 34a_100000210809_100009814007 [1,0,0,0,0,0|3,0,0]=4 303 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 7a_100000210809_100009814007 [1,0,0,0,0,0|3,0,0]=4 304 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 34a_100000210809_200011214921 [1,0,0,0,0,0|3,0,0]=4 305 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000210809_200011214921 [1,0,0,0,0,0|3,0,0]=4 306 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000766696_100011215454 [1,0,0,0,0,0|3,0,0]=4 307 B17R0.43 CCCCCCCCCCCSCCCC(=O)N 62a_100102525003_100011215454 [1,0,0,0,0,0|2,0,0]=3 308 B17R0.43 CCCCCCCCCCCSCCNC(=O)C 62a_100000189650_100011215454 [1,0,0,0,0,0|3,0,0]=4 309 B17R0.43 CCCCCCCCCCCSCCNC(=O)N 62a_200000034859_100011215454 [1,0,0,0,0,0|3,0,0]=4 310 B17R0.43 CCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100011215454 [1,0,0,0,0,0|3,0,0]=4 311 B17R0.43 CCCCCCCCCCCSCCOC(=O)N 62a_200011214921_100011215454 [1,0,0,0,0,0|3,0,0]=4 312 B17R0.43 CCCCCCCCCCNCCCCB(O)O 2230a_100000684558_200009817182 [1,0,0,0,0,0|2,0,1]=4 313 B17R0.43 CCCCCCCCCCNCCCCB(O)O 34a_100000684558_200009817182 [1,0,0,0,0,0|2,0,1]=4 314 B17R0.43 CCCCCCCCCCNCCCCC(=O)C 34a_100000684558_100009817362 [1,0,0,0,0,0|2,0,0]=3 315 B17R0.43 CCCCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210320 [1,0,0,0,0,0|2,0,0]=3 316 B17R0.43 CCCCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210320 [1,0,0,0,0,0|3,0,0]=4 317 B17R0.43 CCCCCCCCCCNCCCOC(=O)C 34a_100000684558_100000042594 [1,0,0,0,0,0|3,0,0]=4 318 B17R0.43 CCCCCCCCCCNCCCSC(=O)C 2230a_100000684558_100000038929 [1,0,0,0,0,0|3,0,0]=4 319 B17R0.43 CCCCCCCCCCNCCCSC(=O)C 34a_100000684558_100000038929 [1,0,0,0,0,0|3,0,0]=4 320 B17R0.43 CCCCCCCCCCNCCOCC(=O)N 2230a_100000684558_100000076697 [1,0,0,0,0,0|3,0,0]=4 321 B17R0.43 CCCCCCCCCCNCCOCC(=O)N 34a_100000684558_100000076697 [1,0,0,0,0,0|3,0,0]=4 322 B17R0.43 CCCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210320 [1,0,0,0,0,0|2,0,0]=3 323 B17R0.43 CCCCCCCCCCOCCCCB(O)O 34a_100000210711_200009817182 [1,0,0,0,0,0|2,0,1]=4 324 B17R0.43 CCCCCCCCCCOCCCCB(O)O 7a_100000210711_200009817182 [1,0,0,0,0,0|2,0,1]=4 325 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 34a_100000210711_100009817362 [1,0,0,0,0,0|2,0,0]=3 326 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 7a_100000210711_100000735457 [1,0,0,0,0,0|2,0,0]=3 327 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210320 [1,0,0,0,0,0|2,0,0]=3 328 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210320 [1,0,0,0,0,0|2,0,0]=3 329 B17R0.43 CCCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210320 [1,0,0,0,0,0|2,0,1]=4 330 B17R0.43 CCCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210320 [1,0,0,0,0,0|2,0,1]=4 331 B17R0.43 CCCCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210320 [1,0,0,0,0,0|3,0,0]=4 332 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 34a_100000210711_100000042594 [1,0,0,0,0,0|3,0,0]=4 333 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 7a_100000210711_100000042594 [1,0,0,0,0,0|3,0,0]=4 334 B17R0.43 CCCCCCCCCCOCCCSC(=O)C 34a_100000210711_100000038929 [1,0,0,0,0,0|3,0,0]=4 335 B17R0.43 CCCCCCCCCCOCCCSC(=O)C 7a_100000210711_100000038929 [1,0,0,0,0,0|3,0,0]=4 336 B17R0.43 CCCCCCCCCCOCCOCC(=O)N 34a_100000210711_100000076697 [1,0,0,0,0,0|3,0,0]=4 337 B17R0.43 CCCCCCCCCCOCCOCC(=O)N 7a_100000210711_100000076697 [1,0,0,0,0,0|3,0,0]=4 338 B17R0.43 CCCCCCCCCCSCCCCB(O)O 62a_200009817182_100000210320 [1,0,0,0,0,0|2,0,1]=4 339 B17R0.43 CCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210320 [1,0,0,0,0,0|3,0,0]=4 340 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 34a_100011628728_100000187820 [1,0,0,0,0,0|3,0,0]=4 341 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210320 [1,0,0,0,0,0|3,0,0]=4 342 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 7a_100011628728_100000187820 [1,0,0,0,0,0|3,0,0]=4 343 B17R0.43 CCCCCCCCCCSCCOCC(=O)[O-] 34a_100011628728_100020667443 [1,0,0,0,0,0|2,0,1]=4 344 B17R0.43 CCCCCCCCCNCCCCCB(O)O 2230a_100000212291_200009817188 [1,0,0,0,0,0|2,0,1]=4 345 B17R0.43 CCCCCCCCCNCCCCCB(O)O 34a_100000212291_200009817188 [1,0,0,0,0,0|2,0,1]=4 346 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 2230a_100000212291_100009817443 [1,0,0,0,0,0|2,0,0]=3 347 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 34a_100000212291_100009817443 [1,0,0,0,0,0|2,0,0]=3 348 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100011214924 [1,0,0,0,0,0|3,0,0]=4 349 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 34a_200011368371_100011214924 [1,0,0,0,0,0|3,0,0]=4 350 B17R0.43 CCCCCCCCCNCCCCOC(=O)C 34a_100000212291_100000033659 [1,0,0,0,0,0|3,0,0]=4 351 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 2230a_100000212291_200010402107 [1,0,0,0,0,0|3,0,0]=4 352 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 34a_100000212291_200010402107 [1,0,0,0,0,0|3,0,0]=4 353 B17R0.43 CCCCCCCCCOCCCCCB(O)O 34a_100000210712_200009817188 [1,0,0,0,0,0|2,0,1]=4 354 B17R0.43 CCCCCCCCCOCCCCCB(O)O 7a_100000210712_200009817188 [1,0,0,0,0,0|2,0,1]=4 355 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000123541_100011214924 [1,0,0,0,0,0|2,0,0]=3 356 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000210712_100009817443 [1,0,0,0,0,0|2,0,0]=3 357 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210328 [1,0,0,0,0,0|2,0,0]=3 358 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000210712_100009817443 [1,0,0,0,0,0|2,0,0]=3 359 B17R0.43 CCCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210328 [1,0,0,0,0,0|1,0,1]=3 360 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000073216_100011214924 [1,0,0,0,0,0|3,0,0]=4 361 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000210712_100000033659 [1,0,0,0,0,0|3,0,0]=4 362 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210328 [1,0,0,0,0,0|3,0,0]=4 363 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000210712_100000033659 [1,0,0,0,0,0|3,0,0]=4 364 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 34a_100000210712_200010402107 [1,0,0,0,0,0|3,0,0]=4 365 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 7a_100000210712_200010402107 [1,0,0,0,0,0|3,0,0]=4 366 B17R0.43 CCCCCCCCCSCCCCCB(O)O 62a_200009817188_100000210670 [1,0,0,0,0,0|2,0,1]=4 367 B17R0.43 CCCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210670 [1,0,0,0,0,0|2,0,0]=3 368 B17R0.43 CCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210670 [1,0,0,0,0,0|3,0,0]=4 369 B17R0.43 CCCCCCCCNCCCCCCB(O)O 2230a_100000229939_100009817187 [1,0,0,0,0,0|2,0,1]=4 370 B17R0.43 CCCCCCCCNCCCCCCB(O)O 34a_100000229939_100009817187 [1,0,0,0,0,0|2,0,1]=4 371 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210759 [1,0,0,0,0,0|3,0,0]=4 372 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210759 [1,0,0,0,0,0|3,0,0]=4 373 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 2230a_100000229939_100009813381 [1,0,0,0,0,0|3,0,0]=4 374 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 34a_100000229939_100000033007 [1,0,0,0,0,0|3,0,0]=4 375 B17R0.43 CCCCCCCCOCCCCCCB(O)O 34a_100000210232_100009817187 [1,0,0,0,0,0|2,0,1]=4 376 B17R0.43 CCCCCCCCOCCCCCCB(O)O 7a_100000210232_100009817187 [1,0,0,0,0,0|2,0,1]=4 377 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 34a_100000210232_100000033007 [1,0,0,0,0,0|3,0,0]=4 378 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 7a_100000210232_100000033007 [1,0,0,0,0,0|3,0,0]=4 379 B17R0.43 CCCCCCCCSCCCCCCB(O)O 62a_100000210759_100009817187 [1,0,0,0,0,0|2,0,1]=4 380 B17R0.43 CCCCCCCCSCCCCCCB(O)O 62a_100009817187_100000210317 [1,0,0,0,0,0|2,0,1]=4 381 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210317 [1,0,0,0,0,0|3,0,0]=4 382 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000210759_100000033007 [1,0,0,0,0,0|3,0,0]=4 383 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210681 [1,0,0,0,0,0|3,0,0]=4 384 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210614 [1,0,0,0,0,0|3,0,0]=4 385 B17R0.43 CCCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210614 [1,0,0,0,0,0|3,0,0]=4 386 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 34a_100000691444_100009817443 [1,0,0,0,0,0|3,0,0]=4 387 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 7a_100000691444_100009817443 [1,0,0,0,0,0|3,0,0]=4 388 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 2230a_100000102301_200010167045 [1,0,0,0,0,0|2,0,0]=3 389 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 7a_106832991798_200010167045 [1,0,0,0,0,0|2,0,0]=3 390 B17R0.43 CCCCNCCCCOCCCCCC(=O)N 34a_200011216965_100009817443 [1,0,0,0,0,0|3,0,0]=4 391 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 34a_100000210227_200010167045 [1,0,0,0,0,0|2,0,0]=3 392 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 7a_100000210227_200010167045 [1,0,0,0,0,0|2,0,0]=3 393 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 34a_200000760531_100009817443 [1,0,0,0,0,0|3,0,0]=4 394 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 7a_200000760531_100009817443 [1,0,0,0,0,0|3,0,0]=4 395 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_100000210211_200010167045 [1,0,0,0,0,0|2,0,0]=3 396 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210210 [1,0,0,0,0,0|2,0,0]=3 397 B17R0.43 CCNCCCCCCCCCCCSC(=O)C 2230a_100015525214_100010140907 [1,0,0,0,0,0|3,0,0]=4 398 B17R0.43 CCOCCCCCCCCCCCSC(=O)C 34a_100121572206_100010140907 [1,0,0,0,0,0|3,0,0]=4 399 B17R0.43 CCOCCCCCCCCCOCCC(=O)C 7a_100009875440_100000053229 [1,0,0,0,0,0|3,0,0]=4 400 B17R0.43 CCOCCCCCCCCCOCCC(=O)N 34a_100009875440_100000731001 [1,0,0,0,0,0|3,0,0]=4 401 B17R0.43 CCOCCCCCCCCCOCCC(=O)N 7a_100009875440_100000744528 [1,0,0,0,0,0|3,0,0]=4 402 B17R0.43 CCOCSCCCCCCCCCCC(=O)N 62a_100000739092_200010167045 [1,0,0,0,0,0|3,0,0]=4 403 B17R0.43 CCOCSCCCCCCCCCCC(=O)N 62a_200010167045_100000739092 [1,0,0,0,0,0|3,0,0]=4 404 B17R0.43 CN(C)CCCCCCCCCCCCCCO 2230a_100102631434_100009828009 [1,0,0,0,0,0|3,0,0]=4 405 B17R0.43 CN(C)CCCCCCCCCCCCCCO 269982a_100102631434_100009828009 [1,0,0,0,0,0|3,0,0]=4 406 B17R0.43 COCCNCCCCCCCCCCC(=O)N 2230a_100000209980_200010167045 [1,0,0,0,0,0|3,0,0]=4 407 B17R0.43 COCCOCCCCCCCCCCC(=O)N 34a_100000210237_200010167045 [1,0,0,0,0,0|3,0,0]=4 408 B17R0.43 COCCSCCCCCCCCCCC(=O)N 62a_100000233755_200010167045 [1,0,0,0,0,0|3,0,0]=4 409 B17R0.43 COCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000233755 [1,0,0,0,0,0|3,0,0]=4 410 B17R0.43 CS(=O)CCCNCCCCCCCCCCO 2230a_200000753449_100009813290 [1,0,0,0,0,0|3,0,0]=4 411 B17R0.43 CSCCNCCCCCCCCCCC(=O)N 2230a_100020590264_200010167045 [1,0,0,0,0,0|3,0,0]=4 412 B17R0.43 CSCCOCCCCCCCCCCC(=O)N 34a_100000230434_200010167045 [1,0,0,0,0,0|3,0,0]=4 413 B17R0.43 CSCCOCCCCCCCCCCC(=O)N 7a_100000230434_200010167045 [1,0,0,0,0,0|3,0,0]=4 414 B17R0.43 CSCCSCCCCCCCCCCC(=O)N 62a_100000212216_200010167045 [1,0,0,0,0,0|3,0,0]=4 415 B17R0.43 CSCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000751147 [1,0,0,0,0,0|3,0,0]=4 416 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 2230a_100000066677_100009817552 [1,0,0,0,0,0|2,0,1]=4 417 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 34a_100000066677_100009817552 [1,0,0,0,0,0|2,0,1]=4 418 B17R0.43 C[C@@H](O)CSCCCCCCCCCCCCO 62a_100009813331_100009817552 [1,0,0,0,0,0|2,0,1]=4 419 B17R0.43 NC(=O)CCCCCCCCCCNCCCF 2230a_100015189416_200010167045 [1,0,0,0,0,0|3,0,0]=4 420 B17R0.43 NC(=O)CCCCCCCCCCNCCCF 34a_100015189416_200010167045 [1,0,0,0,0,0|3,0,0]=4 421 B17R0.43 NC(=O)CCCCCCCCCCOCCCBr 34a_100011217188_200010167045 [1,0,0,0,0,0|3,0,0]=4 422 B17R0.43 NC(=O)CCCCCCCCCCOCCCCl 34a_100000230001_200010167045 [1,0,0,0,0,0|3,0,0]=4 423 B17R0.43 NC(=O)CCCCCCCCCCOCCCF 34a_100000759539_200010167045 [1,0,0,0,0,0|3,0,0]=4 424 B17R0.43 NC(=O)CCCCCCCCCCSCCCF 62a_100011934791_200010167045 [1,0,0,0,0,0|3,0,0]=4 425 B17R0.43 NC(=O)CCCCCCCCCCSCCCF 62a_200010167045_100011934791 [1,0,0,0,0,0|3,0,0]=4 426 B17R0.43 NC(=O)CCCCCCCCCCSCCCO 62a_100011215043_200010167045 [1,0,0,0,0,0|2,0,0]=3 427 B17R0.43 NC(=O)CCCCCCCCCCSCCCO 62a_200010167045_100011215043 [1,0,0,0,0,0|2,0,0]=3 428 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 2230a_102515433106_100009817443 [1,0,0,0,0,0|2,0,0]=3 429 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 34a_102515433106_100009817443 [1,0,0,0,0,0|2,0,0]=3 430 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 34a_100009813846_100009817443 [1,0,0,0,0,0|3,0,0]=4 431 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 7a_100009813846_100009817443 [1,0,0,0,0,0|3,0,0]=4 432 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 34a_100000033203_100009817443 [1,0,0,0,0,0|3,0,0]=4 433 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 7a_100000033203_100009817443 [1,0,0,0,0,0|3,0,0]=4 434 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 34a_100000123541_100000033203 [1,0,0,0,0,0|2,0,0]=3 435 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 7a_100000123541_100000033203 [1,0,0,0,0,0|2,0,0]=3 436 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100000033203_100009817443 [1,0,0,0,0,0|2,0,0]=3 437 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100009817443_100000033203 [1,0,0,0,0,0|2,0,0]=3 438 B17R0.43 NC(=O)CCCCNCCCCCCCCCO 34a_100000696515_100009813782 [1,0,0,0,0,0|2,0,0]=3 439 B17R0.43 NC(=O)CCCCOCCCCCCCCCO 34a_100012022536_100009813782 [1,0,0,0,0,0|2,0,0]=3 440 B17R0.43 NC(=O)CCCCOCCCCCCCCCO 7a_100012022536_100009813782 [1,0,0,0,0,0|2,0,0]=3 441 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100102525003 [1,0,0,0,0,0|2,0,0]=3 442 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000739312_100009813290 [1,0,0,0,0,0|2,0,0]=3 443 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100102525003 [1,0,0,0,0,0|3,0,0]=4 444 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100102525003 [1,0,0,0,0,0|3,0,0]=4 445 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100102525003 [1,0,0,0,0,0|3,0,0]=4 446 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100102525003 [1,0,0,0,0,0|3,0,0]=4 447 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100102525003 [1,0,0,0,0,0|2,0,0]=3 448 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100102525003_200000033068 [1,0,0,0,0,0|2,0,0]=3 449 B17R0.43 NC(=O)CCOCCCCCCCCCCCBr 34a_100009812471_100000731001 [1,0,0,0,0,0|3,0,0]=4 450 B17R0.43 NC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000744528 [1,0,0,0,0,0|3,0,0]=4 451 B17R0.43 NC(=O)CCOCCCCCCCCCCCO 34a_100000757172_100009812471 [1,0,0,0,0,0|2,0,0]=3 452 B17R0.43 NC(=O)CCOCCCCCCCCCCCO 7a_100000757172_100009812471 [1,0,0,0,0,0|2,0,0]=3 453 B17R0.43 NC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000744528 [1,0,0,0,0,0|2,0,0]=3 454 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 2230a_100000066677_100000747473 [1,0,0,0,0,0|2,0,0]=3 455 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 2230a_100000711301_100009813331 [1,0,0,0,0,0|2,0,0]=3 456 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 34a_100000066677_100000187820 [1,0,0,0,0,0|2,0,0]=3 457 B17R0.43 NC(=O)CNCCCCCCOCCCCCO 2230a_100000711301_200132310570 [1,0,0,0,0,0|3,0,0]=4 458 B17R0.43 NC(=O)COCCCCCCCCCCCCBr 34a_100009813331_100000187820 [1,0,0,0,0,0|3,0,0]=4 459 B17R0.43 NC(=O)COCCCCCCCCCCCCBr 7a_100009813331_100000187820 [1,0,0,0,0,0|3,0,0]=4 460 B17R0.43 NC(=O)COCCNCCCCCCCCCO 2230a_100000078944_100000076697 [1,0,0,0,0,0|3,0,0]=4 461 B17R0.43 NC(=O)COCCNCCCCCCCCCO 34a_100000078944_100000076697 [1,0,0,0,0,0|3,0,0]=4 462 B17R0.43 NC(=O)COCCSCCCCCCCCCO 62a_100000076697_100009813782 [1,0,0,0,0,0|3,0,0]=4 463 B17R0.43 NC(=O)COCCSCCCCCCCCCO 62a_100009813782_100000076697 [1,0,0,0,0,0|3,0,0]=4 464 B17R0.43 NC(=O)CSCCCCCCCCCCCCO 62a_100009813331_100000747473 [1,0,0,0,0,0|2,0,0]=3 465 B17R0.43 NC(=O)CSCCCCCCOCCCCCO 62a_100000747473_200132310570 [1,0,0,0,0,0|3,0,0]=4 466 B17R0.43 NC(=O)CSCCCCCCOCCCCCO 62a_200132310570_100000747473 [1,0,0,0,0,0|3,0,0]=4 467 B17R0.43 NC(=O)NCCNCCCCCCCCCCO 2230a_100000066964_200000034859 [1,0,0,0,0,0|3,0,0]=4 468 B17R0.43 NC(=O)NCCNCCCCCCCCCCO 34a_100020590234_100009813290 [1,0,0,0,0,0|3,0,0]=4 469 B17R0.43 NC(=O)NCCOCCCCCCCCCCO 34a_100000181757_100009813290 [1,0,0,0,0,0|3,0,0]=4 470 B17R0.43 NC(=O)NCCSCCCCCCCCCCO 62a_100009813290_200000034859 [1,0,0,0,0,0|3,0,0]=4 471 B17R0.43 NC(=O)NCCSCCCCCCCCCCO 62a_200000034859_200000033068 [1,0,0,0,0,0|3,0,0]=4 472 B17R0.43 NC(=O)OCCNCCCCCCCCCCO 34a_100000066964_200011214921 [1,0,0,0,0,0|3,0,0]=4 473 B17R0.43 NC(=O)OCCOCCCCCCCCCCO 7a_100000766696_100009813290 [1,0,0,0,0,0|3,0,0]=4 474 B17R0.43 NC(=O)OCCSCCCCCCCCCCO 62a_100009813290_200011214921 [1,0,0,0,0,0|3,0,0]=4 475 B17R0.43 NC(=O)OCCSCCCCCCCCCCO 62a_200011214921_200000033068 [1,0,0,0,0,0|3,0,0]=4 476 B17R0.43 NCCCCCCCCCCCCOCC(=O)N 34a_100000066677_100000187820 [1,0,0,0,0,0|3,0,0]=4 477 B17R0.43 NCCCCCCCCCCCCOCC(=O)[O-] 34a_100000066677_100020667443 [1,0,0,0,0,0|2,0,1]=4 478 B17R0.43 NCCCCCCCCCCOCCCC(=O)N 34a_100000066964_100102525003 [1,0,0,0,0,0|3,0,0]=4 479 B17R0.43 NCCCCCCCCOCCCCCC(=O)N 34a_102515433106_100009817443 [1,0,0,0,0,0|3,0,0]=4 480 B17R0.43 NCCCOCCCCCCCCCCC(=O)N 34a_100000182051_200010167045 [1,0,0,0,0,0|3,0,0]=4 481 B17R0.43 O=C(O)CNCCCCCCCCCCCCO 269956a_100016091260_100009813331 [1,0,0,0,0,0|1,0,0]=2 482 B17R0.43 O=C(O)CNCCCCCCOCCCCCO 269956a_100016091260_200132310570 [1,0,0,0,0,0|2,0,0]=3 483 B17R0.43 O=C(O)COCCNCCCCCCCCCO 269956a_100000700818_100009813782 [1,0,0,0,0,0|2,0,0]=3 484 B17R0.43 O=C(O)COCCOCCNCCCCCCO 269956a_100009854275_100000766143 [1,0,0,0,0,0|3,0,0]=4 485 B17R0.43 O=C(O)CONCCCCCCCCCCCO 269956a_100000106656_100009812471 [1,0,0,0,0,0|2,0,0]=3 486 B17R0.43 O=C([O-])CCCCCOCCCCCCCCO 7a_100102619762_100000033203 [1,0,0,0,0,0|1,0,1]=3 487 B17R0.43 O=C([O-])CNCCCCCCCCCCCCO 34a_100000066677_100020667443 [1,0,0,0,0,0|1,0,1]=3 488 B17R0.43 O=C([O-])COCCCCCCCCCCCCBr 34a_100009813331_100020667443 [1,0,0,0,0,0|2,0,1]=4 489 B17R0.43 O=C([O-])CSCCCCCCCCCCCCO 62a_100009813331_100020667443 [1,0,0,0,0,0|1,0,1]=3 490 B17R0.43 O=C([O-])CSCCCCCCOCCCCCO 62a_100020667443_200132310570 [1,0,0,0,0,0|2,0,1]=4 491 B17R0.43 O=C([O-])CSCCCCCCOCCCCCO 62a_200132310570_100020667443 [1,0,0,0,0,0|2,0,1]=4 492 B17R0.43 O=[N+]([O-])CCCCOCCCCCCCCCO 34a_200015379883_100009813782 [1,0,0,0,0,0|2,0,1]=4 493 B17R0.43 O=[N+]([O-])CCCCOCCCCCCCCCO 7a_200015379883_100009813782 [1,0,0,0,0,0|2,0,1]=4 494 B17R0.43 O=[N+]([O-])CCCOCCCCCCCCCCO 34a_200000037920_100009813290 [1,0,0,0,0,0|2,0,1]=4 495 B17R0.43 O=[N+]([O-])CNCCCCCCCCCCCCO 34a_100000066677_100000761209 [1,0,0,0,0,0|2,0,1]=4 496 B17R0.43 O=[N+]([O-])CSCCCCCCCCCCCCO 62a_100009813331_100000761209 [1,0,0,0,0,0|2,0,1]=4 497 B17R0.43 OCCCCCCCCCNCCCCB(O)O 2230a_100000078944_200009817182 [1,0,0,0,0,0|2,0,1]=4 498 B17R0.43 OCCCCCCCCCNCCCCB(O)O 34a_100000078944_200009817182 [1,0,0,0,0,0|2,0,1]=4 499 B17R0.43 OCCCCCCCCCSCCCCB(O)O 62a_100009813782_200009817182 [1,0,0,0,0,0|2,0,1]=4 500 B17R0.43 OCCCCCCCCCSCCCCB(O)O 62a_200009817182_100009813782 [1,0,0,0,0,0|2,0,1]=4 501 B17R0.43 OCCCCCCCCNCCCCCB(O)O 2230a_102515433106_200009817188 [1,0,0,0,0,0|2,0,1]=4 502 B17R0.43 OCCCCCCCCNCCCCCB(O)O 34a_102515433106_200009817188 [1,0,0,0,0,0|2,0,1]=4 503 B17R0.43 OCCCCCCCCSCCCCCB(O)O 62a_100000033203_200009817188 [1,0,0,0,0,0|2,0,1]=4 504 B17R0.43 OCCCCCCCCSCCCCCB(O)O 62a_200009817188_100000033203 [1,0,0,0,0,0|2,0,1]=4 505 B17R0.43 OCCCCCCCNCCCCCCB(O)O 2230a_100011996573_100009817187 [1,0,0,0,0,0|2,0,1]=4 506 B17R0.43 OCCCCCCCNCCCCCCB(O)O 34a_100011996573_100009817187 [1,0,0,0,0,0|2,0,1]=4 507 B17R0.43 OCCCCCCCSCCCCCCB(O)O 62a_100000760002_100009817187 [1,0,0,0,0,0|2,0,1]=4 508 B17R0.43 OCCCCCCCSCCCCCCB(O)O 62a_100009817187_100000760002 [1,0,0,0,0,0|2,0,1]=4 509 B17R0.117 C#CCCCCCCCCCCOCCCC=O 7a_100000054667_200011292268 [1,0,0,0,0,0|2,0,1]=4 510 B17R0.117 C#CCCCCCCCCCCOCCCCO 34a_100000054667_100011216708 [1,0,0,0,0,0|2,0,1]=4 511 B17R0.117 C#CCCCCCCCCCCOCCCCO 7a_100000054667_100000210776 [1,0,0,0,0,0|2,0,1]=4 512 B17R0.117 C#CCCCCCCCCCOCCCCC=O 7a_100000034437_100000139335 [1,0,0,0,0,0|2,0,1]=4 513 B17R0.117 C#CCCCCCCCCCOCCCCCO 34a_100000034437_100000746330 [1,0,0,0,0,0|2,0,1]=4 514 B17R0.117 C#CCCCCCCCCCOCCCCCO 7a_100000034437_100000746330 [1,0,0,0,0,0|2,0,1]=4 515 B17R0.117 C#CCCCCCCCCOCCCCCC=O 7a_100000065265_100000139337 [1,0,0,0,0,0|2,0,1]=4 516 B17R0.117 C#CCCCCCCCCOCCCCCCO 34a_100000065265_100000766143 [1,0,0,0,0,0|2,0,1]=4 517 B17R0.117 C#CCCCCCCCCOCCCCCCO 7a_100000065265_100000766143 [1,0,0,0,0,0|2,0,1]=4 518 B17R0.117 C#CCCCCCCCNCCCCCCCO 2230a_100011996573_100153394163 [1,0,0,0,0,0|2,0,1]=4 519 B17R0.117 C#CCCCCCCCNCCCCCCCO 34a_100011996573_100153394163 [1,0,0,0,0,0|2,0,1]=4 520 B17R0.117 C#CCCCCCCCOCCCCCCCO 34a_100000054614_100000760002 [1,0,0,0,0,0|2,0,1]=4 521 B17R0.117 C#CCCCCCCCOCCCCCCCO 7a_100000054614_100000760002 [1,0,0,0,0,0|2,0,1]=4 522 B17R0.117 C#CCCCCCCCSCCCCCCCO 62a_100000760002_100153394163 [1,0,0,0,0,0|2,0,1]=4 523 B17R0.117 C#CCCCCCCCSCCCCCCCO 62a_100153394163_100000760002 [1,0,0,0,0,0|2,0,1]=4 524 B17R0.117 C#CCCCCCCNCCCCCCCCO 2230a_102515433106_100012276617 [1,0,0,0,0,0|2,0,1]=4 525 B17R0.117 C#CCCCCCCNCCCCCCCCO 34a_102515433106_100012276617 [1,0,0,0,0,0|2,0,1]=4 526 B17R0.117 C#CCCCCCCOCCCCCCCCO 34a_100011217361_100000033203 [1,0,0,0,0,0|2,0,1]=4 527 B17R0.117 C#CCCCCCCOCCCCCCCCO 7a_100011217361_100000033203 [1,0,0,0,0,0|2,0,1]=4 528 B17R0.117 C#CCCCCCCSCCCCCCCCO 62a_100000033203_100012276617 [1,0,0,0,0,0|2,0,1]=4 529 B17R0.117 C#CCCCCCCSCCCCCCCCO 62a_100012276617_100000033203 [1,0,0,0,0,0|2,0,1]=4 530 B17R0.117 C#CCCCCCNCCCCCCCCCO 2230a_100000078944_100012094781 [1,0,0,0,0,0|2,0,1]=4 531 B17R0.117 C#CCCCCCNCCCCCCCCCO 34a_100000078944_100012094781 [1,0,0,0,0,0|2,0,1]=4 532 B17R0.117 C#CCCCCCOCCCCCCCCCO 34a_100000766912_100009813782 [1,0,0,0,0,0|2,0,1]=4 533 B17R0.117 C#CCCCCCOCCCCCCCCCO 7a_100000766912_100009813782 [1,0,0,0,0,0|2,0,1]=4 534 B17R0.117 C#CCCCCCSCCCCCCCCCO 62a_100009813782_100012094781 [1,0,0,0,0,0|2,0,1]=4 535 B17R0.117 C#CCCCCCSCCCCCCCCCO 62a_100012094781_100009813782 [1,0,0,0,0,0|2,0,1]=4 536 B17R0.117 C#CCCCCNCCCCCCCCCCO 2230a_100000066964_100010269958 [1,0,0,0,0,0|2,0,1]=4 537 B17R0.117 C#CCCCCNCCCCCCCCCCO 2230a_100000706060_100009813290 [1,0,0,0,0,0|2,0,1]=4 538 B17R0.117 C#CCCCCNCCCCCCCCCCO 34a_100000066964_100010269958 [1,0,0,0,0,0|2,0,1]=4 539 B17R0.117 C#CCCCCNCCCCCCCCCCO 34a_100000706060_100009813290 [1,0,0,0,0,0|2,0,1]=4 540 B17R0.117 C#CCCCCOCCCCCCCCCCO 34a_100000766709_100009813290 [1,0,0,0,0,0|2,0,1]=4 541 B17R0.117 C#CCCCCOCCCCCCCCCCO 7a_100000766709_100009813290 [1,0,0,0,0,0|2,0,1]=4 542 B17R0.117 C#CCCCCSCCCCCCCCCCO 62a_100009813290_100010269958 [1,0,0,0,0,0|2,0,1]=4 543 B17R0.117 C#CCCCCSCCCCCCCCCCO 62a_100010269958_200000033068 [1,0,0,0,0,0|2,0,1]=4 544 B17R0.117 C#CCCCNCCCCCCCCCCCO 34a_100000718082_100009812471 [1,0,0,0,0,0|2,0,1]=4 545 B17R0.117 C#CCCCOCCCCCCCCCCCO 34a_100000215630_100009812471 [1,0,0,0,0,0|2,0,1]=4 546 B17R0.117 C#CCCCOCCCCCCCCCCCO 7a_100000215630_100009812471 [1,0,0,0,0,0|2,0,1]=4 547 B17R0.117 C#CCCCSCCCCCCCCCCCO 62a_100009812471_100011215417 [1,0,0,0,0,0|2,0,1]=4 548 B17R0.117 C#CCCNCCCCCCCCCCCCO 2230a_100000066677_100000688953 [1,0,0,0,0,0|2,0,1]=4 549 B17R0.117 C#CCCNCCCCCCCCCCCCO 34a_100000066677_100000688953 [1,0,0,0,0,0|2,0,1]=4 550 B17R0.117 C#CCCNCCCCCCCCCCCCO 34a_100000755551_100009813331 [1,0,0,0,0,0|2,0,1]=4 551 B17R0.117 C#CCCOCCCCCCCCCCCCO 34a_100011215631_100009813331 [1,0,0,0,0,0|2,0,1]=4 552 B17R0.117 C#CCCSCCCCCCCCCCCCO 62a_100009813331_100000688953 [1,0,0,0,0,0|2,0,1]=4 553 B17R0.117 C#CCNCCCCCCCCCCCCCO 34a_100000212058_100009812470 [1,0,0,0,0,0|2,0,1]=4 554 B17R0.117 C#CCOCCCCCCCCCCCCCO 34a_100000210247_100009812470 [1,0,0,0,0,0|2,0,1]=4 555 B17R0.117 C/C=C/CCOCCCCCCCCCCCO 34a_100016278192_100009812471 [1,0,0,0,0,0|2,0,1]=4 556 B17R0.117 C/C=C/CNCCCCCCCCCCCCO 34a_100000066677_100102629194 [1,0,0,0,0,0|2,0,1]=4 557 B17R0.117 C/C=C/COCCCCCCCCCCCCO 34a_100016270725_100009813331 [1,0,0,0,0,0|2,0,1]=4 558 B17R0.117 CC=CCCCOCCCCCCCCCCO 34a_100020645299_100009813290 [1,0,0,0,0,0|2,0,1]=4 559 B17R0.117 CC=CCNCCCCCCCCCCCCO 2230a_100000066677_100000070051 [1,0,0,0,0,0|2,0,1]=4 560 B17R0.117 CC=CCNCCCCCCCCCCCCO 34a_100000066677_100000070051 [1,0,0,0,0,0|2,0,1]=4 561 B17R0.117 N#CCCCCCCNCCCCCCCCO 2230a_102515433106_100009813337 [1,0,0,0,0,0|2,0,1]=4 562 B17R0.117 N#CCCCCCCSCCCCCCCCO 62a_100000033203_100009813337 [1,0,0,0,0,0|2,0,1]=4 563 B17R0.117 N#CCCCCCCSCCCCCCCCO 62a_100009813337_100000033203 [1,0,0,0,0,0|2,0,1]=4 564 B17R0.117 N#CCCCCCNCCCCCCCCCO 2230a_100000078944_100009813376 [1,0,0,0,0,0|2,0,1]=4 565 B17R0.117 N#CCCCCCSCCCCCCCCCO 62a_100009813376_100009813782 [1,0,0,0,0,0|2,0,1]=4 566 B17R0.117 N#CCCCCCSCCCCCCCCCO 62a_100009813782_100009813376 [1,0,0,0,0,0|2,0,1]=4 567 B17R0.117 N#CCCCCNCCCCCCCCCCO 2230a_100000066964_100000211819 [1,0,0,0,0,0|2,0,1]=4 568 B17R0.117 N#CCCCCSCCCCCCCCCCO 62a_100009813290_100000211819 [1,0,0,0,0,0|2,0,1]=4 569 B17R0.117 N#CCCCCSCCCCCCCCCCO 62a_100011219923_200000033068 [1,0,0,0,0,0|2,0,1]=4 570 B17R0.117 N#CCCCSCCCCCCCCCCCO 62a_100009812471_100000687738 [1,0,0,0,0,0|2,0,1]=4 571 B17R0.117 N#CCCNCCCCCCCCCCCCO 2230a_100000066677_100011215226 [1,0,0,0,0,0|2,0,1]=4 572 B17R0.117 N#CCCSCCCCCCCCCCCCO 62a_100009813331_100011215226 [1,0,0,0,0,0|2,0,1]=4 573 B17R0.117 N#CCSCCCCCCCCCCCCCO 62a_100009812470_100011215382 [1,0,0,0,0,0|2,0,1]=4 574 B19R1.274 CCCCCCCCCCCCNC1COC(=O)O1 34a_100000210451_100000032252 [0,0,0,1,0,0|3,0,0]=4 575 B19R1.274 CCCCCCCCCCCCOC1COC(=O)O1 34a_100000210810_100000032252 [0,0,0,1,0,0|3,0,0]=4 576 B19R1.274 CCCCCCCCCCCNCC1CNC(=O)O1 2230a_200011215754_100000181169 [0,0,0,1,0,0|3,0,0]=4 577 B19R1.274 CCCCCCCCCCCNCC1CNC(=O)O1 34a_200011215754_100000181169 [0,0,0,1,0,0|3,0,0]=4 578 B19R1.274 CCCCCCCCCCCNCC1COC(=O)O1 34a_200011215754_100000073702 [0,0,0,1,0,0|3,0,0]=4 579 B19R1.274 CCCCCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_200011215754_100015189358 [0,0,0,1,0,0|3,0,0]=4 580 B19R1.274 CCCCCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215454 [0,0,0,1,0,0|3,0,0]=4 581 B19R1.274 CCCCCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011215454 [0,0,0,1,0,0|3,0,0]=4 582 B19R1.274 CCCCCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100011215454 [0,0,0,1,0,0|3,0,0]=4 583 B19R1.274 CCCCCCCCCCCOCC1CNC(=O)O1 34a_100000210809_100000181169 [0,0,0,1,0,0|3,0,0]=4 584 B19R1.274 CCCCCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100011215454 [0,0,0,1,0,0|3,0,0]=4 585 B19R1.274 CCCCCCCCCCCOCC1CNC(=O)O1 7a_100000210809_100000181169 [0,0,0,1,0,0|3,0,0]=4 586 B19R1.274 CCCCCCCCCCCOCC1COC(=O)O1 34a_100000210809_100000073702 [0,0,0,1,0,0|3,0,0]=4 587 B19R1.274 CCCCCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210809_100015189358 [0,0,0,1,0,0|3,0,0]=4 588 B19R1.274 CCCCCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100011215454 [0,0,0,1,0,0|3,0,0]=4 589 B19R1.274 CCCCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100011215454 [0,0,0,1,0,0|3,0,0]=4 590 B19R1.274 CCCCCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215454 [0,0,0,1,0,0|3,0,0]=4 591 B19R1.274 NCCCCCCCCCCOCC1CNC(=O)O1 34a_100000066964_100000181169 [0,0,0,1,0,0|3,0,0]=4 592 B19R1.274 NCCCCCCCCCCOCC1COC(=O)O1 34a_100000066964_100000073702 [0,0,0,1,0,0|3,0,0]=4 593 B19R1.274 O=C1CC(CN1)CNCCCCCCCCCCO 2230a_100016993742_100009813290 [0,0,0,1,0,0|3,0,0]=4 594 B19R1.274 O=C1CC(CN1)CNCCCCCCCCCCO 34a_100016993742_100009813290 [0,0,0,1,0,0|3,0,0]=4 595 B19R1.274 O=C1CC(CN1)COCCCCCCCCCCO 34a_100016041077_100009813290 [0,0,0,1,0,0|3,0,0]=4 596 B19R1.274 O=C1CC(CN1)NCCCCCCCCCCCO 2230a_100000697751_100009812471 [0,0,0,1,0,0|3,0,0]=4 597 B19R1.274 O=C1CC(CN1)OCCCCCCCCCCCO 34a_100000690082_100009812471 [0,0,0,1,0,0|3,0,0]=4 598 B19R1.274 O=C1CCC(C1)OCCCCCCCCCCCO 34a_100012614533_100009812471 [0,0,0,1,0,0|2,0,0]=3 599 B19R1.274 O=C1CCC(N1)COCCCCCCCCCCO 34a_100000737831_100009813290 [0,0,0,1,0,0|2,0,0]=3 600 B19R1.274 O=C1CC[C@@H](N1)CNCCCCCCCCCCO 2230a_100015423886_100009813290 [0,0,0,1,0,0|2,0,0]=3 601 B19R1.274 O=C1CC[C@@H](N1)CNCCCCCCCCCCO 34a_100015423886_100009813290 [0,0,0,1,0,0|2,0,0]=3 602 B19R1.274 O=C1CC[C@H](N1)CNCCCCCCCCCCO 2230a_100000066964_100015189358 [0,0,0,1,0,0|2,0,0]=3 603 B19R1.274 O=C1CC[C@H](N1)COCCCCCCCCCCBr 7a_100009813290_100015189358 [0,0,0,1,0,0|3,0,0]=4 604 B19R1.274 O=C1CC[C@H](N1)COCCCCCCCCCCCl 7a_200000033068_100015189358 [0,0,0,1,0,0|3,0,0]=4 605 B19R1.274 O=C1CC[C@H](N1)CSCCCCCCCCCCO 62a_100009813290_100015189358 [0,0,0,1,0,0|2,0,0]=3 606 B19R1.274 O=C1CC[C@H](N1)CSCCCCCCCCCCO 62a_100015189358_200000033068 [0,0,0,1,0,0|2,0,0]=3 607 B19R1.274 O=C1CN(CN1)CCCCCCCCCCCCO 2230a_200000708111_100009813331 [0,0,0,1,0,0|3,0,0]=4 608 B19R1.274 O=C1NCC(O1)CNCCCCCCCCCCO 2230a_100000066964_100000181169 [0,0,0,1,0,0|2,0,0]=3 609 B19R1.274 O=C1NCC(O1)CNCCCCCCCCCCO 34a_100000066964_100000181169 [0,0,0,1,0,0|2,0,0]=3 610 B19R1.274 O=C1NCC(O1)COCCCCCCCCCCBr 34a_100009813290_100000181169 [0,0,0,1,0,0|3,0,0]=4 611 B19R1.274 O=C1NCC(O1)COCCCCCCCCCCBr 7a_100009813290_100000181169 [0,0,0,1,0,0|3,0,0]=4 612 B19R1.274 O=C1NCC(O1)COCCCCCCCCCCCl 34a_200000033068_100000181169 [0,0,0,1,0,0|3,0,0]=4 613 B19R1.274 O=C1NCC(O1)COCCCCCCCCCCCl 7a_200000033068_100000181169 [0,0,0,1,0,0|3,0,0]=4 614 B19R1.274 O=C1NCC(O1)COCCCCCCCCCCO 34a_100011315639_100009813290 [0,0,0,1,0,0|2,0,0]=3 615 B19R1.274 O=C1NCC(O1)CSCCCCCCCCCCO 62a_100000181169_200000033068 [0,0,0,1,0,0|2,0,0]=3 616 B19R1.274 O=C1NCC(O1)CSCCCCCCCCCCO 62a_100009813290_100000181169 [0,0,0,1,0,0|2,0,0]=3 617 B19R1.274 O=C1N[C@H](CO1)CNCCCCCCCCCCO 2230a_100000066964_100015307671 [0,0,0,1,0,0|3,0,0]=4 618 B19R1.274 O=C1N[C@H](CO1)CNCCCCCCCCCCO 34a_100000066964_100015307671 [0,0,0,1,0,0|3,0,0]=4 619 B19R1.274 O=C1N[C@H](CO1)CSCCCCCCCCCCO 62a_100009813290_100015307671 [0,0,0,1,0,0|3,0,0]=4 620 B19R1.274 O=C1N[C@H](CO1)CSCCCCCCCCCCO 62a_100015307671_200000033068 [0,0,0,1,0,0|3,0,0]=4 621 B19R1.274 O=C1OCC(O1)CNCCCCCCCCCCO 34a_100000066964_100000073702 [0,0,0,1,0,0|2,0,0]=3 622 B19R1.274 O=C1OCC(O1)COCCCCCCCCCCBr 34a_100009813290_100000073702 [0,0,0,1,0,0|3,0,0]=4 623 B19R1.274 O=C1OCC(O1)COCCCCCCCCCCCl 34a_200000033068_100000073702 [0,0,0,1,0,0|3,0,0]=4 624 B19R1.274 O=C1OCC(O1)CSCCCCCCCCCCO 62a_100000073702_200000033068 [0,0,0,1,0,0|2,0,0]=3 625 B19R1.274 O=C1OCC(O1)CSCCCCCCCCCCO 62a_100009813290_100000073702 [0,0,0,1,0,0|2,0,0]=3 626 B19R1.274 O=C1OCC(O1)OCCCCCCCCCCCBr 34a_100009812471_100000032252 [0,0,0,1,0,0|3,0,0]=4 627 B19R1.274 O=C1OCC(O1)SCCCCCCCCCCCO 62a_100009812471_100000032252 [0,0,0,1,0,0|2,0,0]=3 628 B19R1.274 O=S1OCC(O1)CCSCCCCCCCCCO 62a_100009813782_100009840081 [0,0,0,1,0,0|3,0,0]=4 629 B19R1.274 OCCCCCCCCCCCCN1CCC(C1)O 2230a_100011215560_100009813331 [0,0,0,1,0,0|2,0,1]=4 630 B19R1.274 OCCCCCCCCCCCCN1CCC(C1)O 269982a_100011215560_100009813331 [0,0,0,1,0,0|2,0,1]=4 631 B19R1.274 OCCCCCCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009812471 [0,0,0,1,0,0|2,0,1]=4 632 B19R1.341 CCCCCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000189428 [0,0,0,1,0,0|3,0,0]=4 633 B19R1.341 CCCCCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000189428 [0,0,0,1,0,0|3,0,0]=4 634 B19R1.735 CC(=O)OCCCCCN1CCCCC1CCCO 2230a_100011934581_100009813381 [0,0,0,1,0,0|3,0,0]=4 635 B19R1.735 CC(=O)OCCCCCN1CCCCC1CCCO 269982a_100011934581_100000033007 [0,0,0,1,0,0|3,0,0]=4 636 B19R1.735 CC(=O)OCCCCCN1CCCCC1CCCO 34a_100011934581_100000033007 [0,0,0,1,0,0|3,0,0]=4 637 B19R1.735 OCCCC1CCCCN1CCCCCCB(O)O 2230a_100011934581_100009817187 [0,0,0,1,0,0|2,0,1]=4 638 B19R1.735 OCCCC1CCCCN1CCCCCCB(O)O 269982a_100011934581_100009817187 [0,0,0,1,0,0|2,0,1]=4 639 B19R1.735 OCCCC1CCCCN1CCCCCCB(O)O 34a_100011934581_100009817187 [0,0,0,1,0,0|2,0,1]=4 640 B19R1.970 CC1=CC(CCC1)OCCCCCCCCCCO 34a_100011218613_100009813290 [0,0,0,1,0,0|3,0,0]=4 641 B19R1.970 CCCCCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210320 [0,0,0,1,0,0|3,0,0]=4 642 B19R1.970 O=C1CC(CCN1)COCCCCCCCCCO 34a_100009886756_100009813782 [0,0,0,1,0,0|3,0,0]=4 643 B19R1.970 O=C1CC(CCN1)NCCCCCCCCCCO 2230a_100016994916_100009813290 [0,0,0,1,0,0|3,0,0]=4 644 B19R1.970 O=C1CC(CCN1)NCCCCCCCCCCO 34a_100016994916_100009813290 [0,0,0,1,0,0|3,0,0]=4 645 B19R1.970 O=C1CCCC(C1)OCCCCCCCCCCO 34a_100012613340_100009813290 [0,0,0,1,0,0|2,0,0]=3 646 B19R1.970 O=C1CCCC(N1)COCCCCCCCCCO 34a_200000102386_100009813782 [0,0,0,1,0,0|2,0,0]=3 647 B19R1.970 O=C1CN(CCN1)CCCCCCCCCCCO 2230a_100000184651_100009812471 [0,0,0,1,0,0|3,0,0]=4 648 B19R1.970 O=C1CN(CCO1)CCCCCCCCCCCO 2230a_100000131268_100009812471 [0,0,0,1,0,0|3,0,0]=4 649 B19R1.970 O=C1COCC(N1)COCCCCCCCCCO 34a_200000101122_100009813782 [0,0,0,1,0,0|3,0,0]=4 650 B19R1.970 O=C1C[C@@H](CCN1)OCCCCCCCCCCO 34a_100015189427_100009813290 [0,0,0,1,0,0|3,0,0]=4 651 B19R1.970 OCCCCCCCCCCCN1CCCC(C1)O 2230a_100000211013_100009812471 [0,0,0,1,0,0|2,0,1]=4 652 B19R1.970 OCCCCCCCCCCCN1CCCC(C1)O 269982a_100000211013_100009812471 [0,0,0,1,0,0|2,0,1]=4 653 B19R1.970 OCCCCCCCCCCNC1CCCC(C1)O 2230a_100015190357_100009813290 [0,0,0,1,0,0|2,0,1]=4 654 B19R1.970 OCCCCCCCCCCNC1CCCC(C1)O 270004a_100000066964_100012613340 [0,0,0,1,0,0|2,0,1]=4 655 B19R1.970 OCCCCCCCCCNCC1CCCC(C1)O 2230a_100011254705_100009813782 [0,0,0,1,0,0|2,0,1]=4 656 B19R1.3804 CC(=O)NCCC1CCCCN1CCCCCCO 2230a_200011221479_100000766143 [0,0,0,1,0,0|3,0,0]=4 657 B19R1.3804 CC(=O)NCCC1CCCCN1CCCCCCO 269982a_200011221479_100000766143 [0,0,0,1,0,0|3,0,0]=4 658 B19R1.3804 CC(=O)NCCC1CCCCN1CCCCCCO 34a_200011221479_100000766143 [0,0,0,1,0,0|3,0,0]=4 659 B19R1.3821 CCCCCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_200011216720 [0,0,0,1,0,0|3,0,0]=4 660 B19R1.5152 C=C1CC(C1)CNCCCCCCCCCCCO 2230a_100102567296_100009812471 [0,0,0,1,0,0|3,0,0]=4 661 B19R1.5152 C=C1CC(C1)CNCCCCCCCCCCCO 34a_100102567296_100009812471 [0,0,0,1,0,0|3,0,0]=4 662 B19R1.5152 C=C1CC(C1)COCCCCCCCCCCCO 34a_100011011225_100009812471 [0,0,0,1,0,0|3,0,0]=4 663 B19R1.5152 C=C1CC(C1)NCCCCCCCCCCCCO 2230a_100132301982_100009813331 [0,0,0,1,0,0|3,0,0]=4 664 B19R1.5152 CCCCCCCCCCCCNCC1CC(=O)C1 2230a_100000210451_100009874392 [0,0,0,1,0,0|3,0,0]=4 665 B19R1.5152 CCCCCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000759014 [0,0,0,1,0,0|3,0,0]=4 666 B19R1.5152 CCCCCCCCCCCCOCC1CC(=O)C1 7a_100000210810_100009874392 [0,0,0,1,0,0|3,0,0]=4 667 B19R1.5152 O=C1CC(C1)COCCCCCCCCCCCBr 7a_100009812471_100009874392 [0,0,0,1,0,0|3,0,0]=4 668 B19R1.5152 O=C1CC(C1)COCCCCCCCCCCCO 34a_100000101936_100009812471 [0,0,0,1,0,0|2,0,0]=3 669 B19R1.5152 O=C1CC(C1)CSCCCCCCCCCCCO 62a_100009812471_100009874392 [0,0,0,1,0,0|2,0,0]=3 670 B19R1.5152 O=C1CC(C1)SCCCCCCOCCCCCO 62a_100009894365_200132310570 [0,0,0,1,0,0|3,0,0]=4 671 B19R1.5152 OCCCCCCCCCCCCCN1CC(C1)O 269982a_100000749847_100009812470 [0,0,0,1,0,0|2,0,1]=4 672 B19R1.5152 OCCCCCCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009813331 [0,0,0,1,0,0|2,0,1]=4 673 B19R1.5152 OCCCCCCCCCCCNCC1CC(C1)O 2230a_100016992100_100009812471 [0,0,0,1,0,0|2,0,1]=4 674 B19R1.5167 CCCCCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100011214924 [0,0,0,1,0,0|3,0,0]=4 675 B19R1.5167 CCCCCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210670 [0,0,0,1,0,0|3,0,0]=4 676 B19R1.5167 CCCCCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100011214924 [0,0,0,1,0,0|3,0,0]=4 677 B19R1.5167 NC(=O)CC1CCCCN1CCCCCCCCO 2230a_100015184752_100000033203 [0,0,0,1,0,0|2,0,0]=3 678 B19R1.5167 NC(=O)CC1CCCCN1CCCCCCCCO 269982a_100015184752_100000033203 [0,0,0,1,0,0|2,0,0]=3 679 B19R1.5167 NC(=O)CC1CCCCN1CCCCCCCCO 34a_100015184752_100000033203 [0,0,0,1,0,0|2,0,0]=3 680 B19R1.8985 C#CCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100012276617 [0,0,0,1,0,0|2,0,1]=4 681 B19R1.8985 C=CCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215473 [0,0,0,1,0,0|2,0,1]=4 682 B19R1.8985 CCCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210759 [0,0,0,1,0,0|2,0,0]=3 683 B19R1.8985 COCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011998445 [0,0,0,1,0,0|3,0,0]=4 684 B19R1.8985 N#CCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100009813337 [0,0,0,1,0,0|2,0,1]=4 685 B19R1.8985 O=C(O)CCC1CCCCN1CCCCCCCO 269956a_100000694054_100000760002 [0,0,0,1,0,0|1,0,0]=2 686 B19R1.10905 C[C@@H]1CCCN1CCCCCCCCCCC(=O)N 2230a_100015189458_200010167045 [0,0,0,1,0,0|3,0,0]=4 687 B19R1.10905 C[C@@H]1CCCN1CCCCCCCCCCC(=O)N 269982a_100015189458_200010167045 [0,0,0,1,0,0|3,0,0]=4 688 B19R1.10905 C[C@@H]1CCCN1CCCCCCCCCCC(=O)N 34a_100015189458_200010167045 [0,0,0,1,0,0|3,0,0]=4 689 B19R1.10905 C[C@H]1CCCN1CCCCCCCCCCC(=O)N 2230a_100020605311_200010167045 [0,0,0,1,0,0|3,0,0]=4 690 B19R1.10905 C[C@H]1CCCN1CCCCCCCCCCC(=O)N 269982a_100020605311_200010167045 [0,0,0,1,0,0|3,0,0]=4 691 B19R1.15473 O=C1CN(CCCN1)CCCCCCCCCCO 2230a_100015190381_100009813290 [0,0,0,1,0,0|3,0,0]=4 692 B19R1.15473 OCCCCCCCCCCN1CCCCC(C1)O 2230a_100025706797_100009813290 [0,0,0,1,0,0|2,0,1]=4 693 B19R1.15473 OCCCCCCCCCCN1CCCCC(C1)O 269982a_100025706797_100009813290 [0,0,0,1,0,0|2,0,1]=4 694 B19R1.16543 CC1CC1COCCCCCCCCCCC(=O)N 34a_100000744939_200010167045 [0,0,0,1,0,0|3,0,0]=4 695 B19R1.16543 CC1CC1COCCCCCCCCCCC(=O)N 7a_100000744939_200010167045 [0,0,0,1,0,0|3,0,0]=4 696 B19R1.25715 CC(=O)CCCCSCCCCOC1CCCCO1 62a_100000031530_100000735457 [0,0,0,1,0,0|3,0,0]=4 697 B19R1.25715 CC(=O)CCCCSCCCCOC1CCCCO1 62a_100000735457_100000031530 [0,0,0,1,0,0|3,0,0]=4 698 B19R1.25715 CC(=O)CCOCCCCCCOC1CCCCO1 34a_100000759926_100000033462 [0,0,0,1,0,0|3,0,0]=4 699 B19R1.25715 CC(=O)CCOCCCCCCOC1CCCCO1 7a_100000759926_100000033462 [0,0,0,1,0,0|3,0,0]=4 700 B19R1.25715 CC(=O)CCSCCCCCCOC1CCCCO1 62a_100000033462_100000053229 [0,0,0,1,0,0|3,0,0]=4 701 B19R1.25715 CC(=O)CCSCCCCCCOC1CCCCO1 62a_100000053229_100000033462 [0,0,0,1,0,0|3,0,0]=4 702 B19R1.25715 NC(=O)CCCCCOCCCCC1CCCCC1 34a_100011215267_100009817443 [0,0,0,1,0,0|3,0,0]=4 703 B19R1.25715 NC(=O)CCCCCOCCCCC1CCCCC1 7a_100011215267_100009817443 [0,0,0,1,0,0|3,0,0]=4 704 B19R1.25715 NC(=O)CCCCCOCCCOC1CCCCO1 34a_100000123541_100000700653 [0,0,0,1,0,0|3,0,0]=4 705 B19R1.25715 NC(=O)CCCCCOCCCOC1CCCCO1 7a_100000123541_100000700653 [0,0,0,1,0,0|3,0,0]=4 706 B19R1.25715 NC(=O)CCCCCSCCCOC1CCCCO1 62a_100000700653_100009817443 [0,0,0,1,0,0|3,0,0]=4 707 B19R1.25715 NC(=O)CCCCCSCCCOC1CCCCO1 62a_100009817443_100000700653 [0,0,0,1,0,0|3,0,0]=4 708 B19R1.25715 NC(=O)CCCCNCCCCOC1CCCCO1 34a_100000696515_100000031530 [0,0,0,1,0,0|3,0,0]=4 709 B19R1.25715 NC(=O)CCCCOCCCCOC1CCCCO1 34a_100012022536_100000031530 [0,0,0,1,0,0|3,0,0]=4 710 B19R1.25715 NC(=O)CCCCOCCCCOC1CCCCO1 7a_100012022536_100000031530 [0,0,0,1,0,0|3,0,0]=4 711 B19R1.25715 NC(=O)CCOCCCCCCOC1CCCCO1 34a_100000757172_100000033462 [0,0,0,1,0,0|3,0,0]=4 712 B19R1.25715 NC(=O)CCOCCCCCCOC1CCCCO1 7a_100000757172_100000033462 [0,0,0,1,0,0|3,0,0]=4 713 B19R1.25715 NC(=O)CCSCCCCCCOC1CCCCO1 62a_100000033462_100000744528 [0,0,0,1,0,0|3,0,0]=4 714 B19R1.25715 NC(=O)CCSCCCCCCOC1CCCCO1 62a_100000744528_100000033462 [0,0,0,1,0,0|3,0,0]=4 715 B19R1.25715 O=C(O)COCCNCCCCOC1CCCCO1 269956a_100000700818_100000031530 [0,0,0,1,0,0|3,0,0]=4 716 B19R1.25715 O=C(O)CONCCCCCCOC1CCCCO1 269956a_100000106656_100000033462 [0,0,0,1,0,0|3,0,0]=4 717 B19R1.25715 O=C([O-])CCCCCOCCCOC1CCCCO1 7a_100102619762_100000700653 [0,0,0,1,0,0|2,0,1]=4 718 B19R1.25759 NC(=O)CCCCCCCCCCNCC1CCC1 2230a_100000738700_200010167045 [0,0,0,1,0,0|3,0,0]=4 719 B19R1.25759 NC(=O)CCCCCCCCCCNCC1CCC1 34a_100000738700_200010167045 [0,0,0,1,0,0|3,0,0]=4 720 B19R1.25759 NC(=O)CCCCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_200010167045 [0,0,0,1,0,0|2,0,0]=3 721 B19R1.25759 NC(=O)CCCCCCCCCCNC[C@@H]1CCO1 34a_100020831831_200010167045 [0,0,0,1,0,0|2,0,0]=3 722 B19R1.25759 NC(=O)CCCCCCCCCCOCC1CCC1 34a_100000760304_200010167045 [0,0,0,1,0,0|3,0,0]=4 723 B19R1.25759 NC(=O)CCCCCCCCCCOCC1CCO1 34a_100000039022_200010167045 [0,0,0,1,0,0|2,0,0]=3 724 B19R1.25759 NC(=O)CCCCCCCCCCSCC1CCC1 62a_100000763275_200010167045 [0,0,0,1,0,0|3,0,0]=4 725 B19R1.25759 NC(=O)CCCCCCCCCCSCC1CCC1 62a_200010167045_100000763275 [0,0,0,1,0,0|3,0,0]=4 726 B19R1.25759 NC(=O)CCCCCCCCCCSCC1CCO1 62a_100000103362_200010167045 [0,0,0,1,0,0|2,0,0]=3 727 B19R1.25759 NC(=O)CCCCCCCCCCSCC1CCO1 62a_200010167045_100000103362 [0,0,0,1,0,0|2,0,0]=3 728 B19R1.25913 CC(=O)COCCCCCCCCCC1OCCO1 34a_100000211253_103619048131 [0,0,0,1,0,0|3,0,0]=4 729 B19R1.25913 NC(=O)CCCCCCCCCCNC1CCCC1 2230a_100000211070_200010167045 [0,0,0,1,0,0|3,0,0]=4 730 B19R1.25913 NC(=O)CCCCCCCCCCNC1CCCC1 34a_100000211070_200010167045 [0,0,0,1,0,0|3,0,0]=4 731 B19R1.25913 NC(=O)CCCCCCCCCCOC1CCCC1 34a_100000210269_200010167045 [0,0,0,1,0,0|3,0,0]=4 732 B19R1.25913 NC(=O)CCCCCCCCCCOC1CCCC1 7a_100000210269_200010167045 [0,0,0,1,0,0|3,0,0]=4 733 B19R1.25913 NC(=O)CCCCCCCCCCOC1CCCO1 34a_100000085407_200010167045 [0,0,0,1,0,0|2,0,0]=3 734 B19R1.25913 NC(=O)CCCCCCCCCCSC1CCCC1 62a_100011217020_200010167045 [0,0,0,1,0,0|3,0,0]=4 735 B19R1.25913 NC(=O)CCCCCCCCCCSC1CCCC1 62a_200010167045_100000179811 [0,0,0,1,0,0|3,0,0]=4 736 B19R1.25913 NC(=O)CCCCCOCCCCOC1CCCO1 34a_100011018183_100009817443 [0,0,0,1,0,0|3,0,0]=4 737 B19R1.25913 NC(=O)CCCCCOCCCCOC1CCCO1 7a_100011018183_100009817443 [0,0,0,1,0,0|3,0,0]=4 738 B19R1.25913 NC(=O)CNCCCCCCCCCC1OCCO1 2230a_100000711301_103619048131 [0,0,0,1,0,0|3,0,0]=4 739 B19R1.25913 NC(=O)CSCCCCCCCCCC1OCCO1 62a_100000747473_103619048131 [0,0,0,1,0,0|3,0,0]=4 740 B19R1.25913 O=C(O)CNCCCCCCCCCC1OCCO1 269956a_100016091260_103619048131 [0,0,0,1,0,0|2,0,0]=3 741 B19R1.25913 O=C([O-])CSCCCCCCCCCC1OCCO1 62a_100020667443_103619048131 [0,0,0,1,0,0|2,0,1]=4 742 B19R1.27390 C#CCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100153394163 [0,0,0,1,0,0|2,0,1]=4 743 B19R1.27390 C=CCCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011933949 [0,0,0,1,0,0|2,0,1]=4 744 B19R1.27390 C=CCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012355270 [0,0,0,1,0,0|2,0,1]=4 745 B19R1.27390 CCCCCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210320 [0,0,0,1,0,0|3,0,0]=4 746 B19R1.27390 CCCCCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210320 [0,0,0,1,0,0|3,0,0]=4 747 B19R1.27390 CCCCCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210320 [0,0,0,1,0,0|3,0,0]=4 748 B19R1.27390 CCCCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210320 [0,0,0,1,0,0|2,0,0]=3 749 B19R1.27390 CCCCCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210320 [0,0,0,1,0,0|3,0,0]=4 750 B19R1.27390 CCCCCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210320 [0,0,0,1,0,0|3,0,0]=4 751 B19R1.27390 CCCCCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210320 [0,0,0,1,0,0|3,0,0]=4 752 B19R1.27390 CCCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210670 [0,0,0,1,0,0|2,0,0]=3 753 B19R1.27390 NC(=O)C1CCCCN1CCCCCCCCCO 2230a_100000181395_100009813782 [0,0,0,1,0,0|2,0,0]=3 754 B19R1.27390 NC(=O)C1CCCCN1CCCCCCCCCO 269982a_100000181395_100009813782 [0,0,0,1,0,0|2,0,0]=3 755 B19R1.27390 NC(=O)C1CCCCN1CCCCCCCCCO 34a_100000181395_100009813782 [0,0,0,1,0,0|2,0,0]=3 756 B19R1.27390 O=C(O)C1CCSCN1CCCCCCCCCO 269956a_100015185162_100009813782 [0,0,0,1,0,0|2,0,0]=3 757 B19R1.27390 O=C(O)C1CSCCN1CCCCCCCCCO 269956a_100011346106_100009813782 [0,0,0,1,0,0|2,0,0]=3 758 B19R1.27390 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCCCCO 269956a_100009816435_100000033203 [0,0,0,1,0,0|1,0,0]=2 759 B19R1.27390 O=C(O)[C@@H]1CCCC[C@H]1NCCOCCOCCO 269956a_100009816435_100000032323 [0,0,0,1,0,0|3,0,0]=4 760 B19R1.27390 O=C(O)[C@H]1CCCCN1CCCCCCCCCO 269956a_100000763471_100009813782 [0,0,0,1,0,0|1,0,0]=2 761 B19R1.27390 O=C(O)[C@H]1COCCN1CCCCCCCCCO 269956a_100016993156_100009813782 [0,0,0,1,0,0|2,0,0]=3 762 B19R1.46531 C=CCCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009814027 [0,0,0,1,0,0|2,0,1]=4 763 B19R1.46531 CC(=O)N1CCC[C@@H]1COCCCCCCCCO 34a_100012242843_100000033203 [0,0,0,1,0,0|3,0,0]=4 764 B19R1.46531 CC(=O)N1CCC[C@@H]1COCCCCCCCCO 7a_100012242843_100000033203 [0,0,0,1,0,0|3,0,0]=4 765 B19R1.46531 CCCCCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011215454 [0,0,0,1,0,0|3,0,0]=4 766 B19R1.46531 CCCCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215454 [0,0,0,1,0,0|2,0,0]=3 767 B19R1.46531 CCCCCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100011215454 [0,0,0,1,0,0|3,0,0]=4 768 B19R1.46531 CCCCCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011215454 [0,0,0,1,0,0|3,0,0]=4 769 B19R1.46531 NC(=O)N1CCC[C@H]1COCCCCCCCCO 34a_100012022907_100000033203 [0,0,0,1,0,0|3,0,0]=4 770 B19R1.46531 NC(=O)N1CCC[C@H]1COCCCCCCCCO 7a_100012022907_100000033203 [0,0,0,1,0,0|3,0,0]=4 771 B19R1.46531 NC(=O)[C@@H]1CCCN1CCCCCCCCCCO 2230a_100000003125_100009813290 [0,0,0,1,0,0|2,0,0]=3 772 B19R1.46531 O=C(O)C1SCCN1CCCCCCCCCCO 269956a_100000035718_100009813290 [0,0,0,1,0,0|2,0,0]=3 773 B19R1.46531 O=C(O)[C@@H]1C=CCN1CCCCCCCCCCO 269956a_100000057196_100009813290 [0,0,0,1,0,0|1,0,2]=4 774 B19R1.46531 O=C(O)[C@@H]1CCCN1CCCCCCCCCCO 269956a_100000743916_100009813290 [0,0,0,1,0,0|1,0,0]=2 775 B19R1.46531 O=C(O)[C@@H]1CSCN1CCCCCCCCCCO 269956a_100000743924_100009813290 [0,0,0,1,0,0|2,0,0]=3 776 B19R1.47245 C#CCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100153394163 [0,0,0,1,0,0|2,0,1]=4 777 B19R1.47245 C=CCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100012355270 [0,0,0,1,0,0|2,0,1]=4 778 B19R1.47245 CCCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210670 [0,0,0,1,0,0|2,0,0]=3 779 B19R1.47245 O=C(O)C1CCCCCN1CCCCCCCCO 269956a_100000758484_100000033203 [0,0,0,1,0,0|1,0,0]=2 780 B19R1.47245 O=C(O)C1CCCCCN1CCOCCOCCO 269956a_100000758484_100000032323 [0,0,0,1,0,0|3,0,0]=4 781 B19R1.49099 NC(=O)CCCCCCCCCCNCCC1CC1 34a_100000764129_200010167045 [0,0,0,1,0,0|3,0,0]=4 782 B19R1.49099 NC(=O)CCCCCCCCCCOCCC1CC1 34a_100000754188_200010167045 [0,0,0,1,0,0|3,0,0]=4 783 B19R1.49099 NC(=O)CCCCCCCCCCOCCC1CC1 7a_100000754188_200010167045 [0,0,0,1,0,0|3,0,0]=4 784 B19R1.49099 NC(=O)CCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_200010167045 [0,0,0,1,0,0|2,0,0]=3 785 B19R1.49099 NC(=O)CCCCCCCCCCSCCC1CC1 62a_100000764125_200010167045 [0,0,0,1,0,0|3,0,0]=4 786 B19R1.49099 NC(=O)CCCCCCCCCCSCCC1CC1 62a_200010167045_100000764125 [0,0,0,1,0,0|3,0,0]=4 787 B19R1.49099 NC(=O)CCCCCCCCCCSCCC1CO1 62a_100000732470_200010167045 [0,0,0,1,0,0|2,0,0]=3 788 B19R1.49099 NC(=O)CCCCCCCCCCSCCC1CO1 62a_200010167045_100000732470 [0,0,0,1,0,0|2,0,0]=3 789 B19R1.49447 CC(=O)CCCNC1CCCCCCCCCCC1 34a_100011194316_100000685027 [0,0,0,1,0,0|3,0,0]=4 790 B19R1.49447 NC(=O)CCCNC1CCCCCCCCCCC1 34a_100011194316_100102525003 [0,0,0,1,0,0|3,0,0]=4 791 B19R1.49447 NC(=O)CCCOC1CCCCCCCCCCC1 34a_100000211378_100102525003 [0,0,0,1,0,0|3,0,0]=4 792 B19R1.49447 NC(=O)CCCOC1CCCCCCCCCCC1 7a_100000211378_100102525003 [0,0,0,1,0,0|3,0,0]=4 793 B19R1.50930 CC(=O)CCCCNCCCN1CCCCC1CO 34a_200011473794_100009817362 [0,0,0,1,0,0|3,0,0]=4 794 B19R1.50930 CC(=O)NCCCCCCNC1CCCCC1CO 270004a_200011996284_100009861125 [0,0,0,1,0,0|3,0,0]=4 795 B19R1.50930 CC(=O)SCCCCCCNC1CCCCC1CO 270004a_100000704104_100009861125 [0,0,0,1,0,0|3,0,0]=4 796 B19R1.50930 NC(=O)CCCCCNCCN1CCCCC1CO 2230a_100011473795_100009817443 [0,0,0,1,0,0|3,0,0]=4 797 B19R1.50930 NC(=O)CCCCCNCCN1CCCCC1CO 34a_100011473795_100009817443 [0,0,0,1,0,0|3,0,0]=4 798 B19R1.53165 C[C@]1(CCC[C@H]1NCCCCCCCCCCO)O 2230a_100015977457_100009813290 [0,0,0,1,0,0|2,0,1]=4 799 B19R1.53165 C[C@]1(CCC[C@H]1NCCCCCCCCCCO)O 34a_100015977457_100009813290 [0,0,0,1,0,0|2,0,1]=4 800 B19R1.54339 C#CCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100012094781 [0,0,0,1,0,0|2,0,1]=4 801 B19R1.54339 C=CCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000700193 [0,0,0,1,0,0|2,0,1]=4 802 B19R1.54339 CCCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210614 [0,0,0,1,0,0|2,0,0]=3 803 B19R1.54339 CCCCOCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000743108 [0,0,0,1,0,0|3,0,0]=4 804 B19R1.54339 N#CCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100009813376 [0,0,0,1,0,0|2,0,1]=4 805 B19R1.54339 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCCF 269956a_200049070474_100015922095 [0,0,0,1,0,0|2,0,0]=3 806 B19R1.54339 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCCO 269956a_200049070474_100000766143 [0,0,0,1,0,0|1,0,0]=2 807 B19R1.54339 O=CCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000139337 [0,0,0,1,0,0|1,0,2]=4 808 B19R1.68071 C=CCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011093070 [0,0,0,1,0,0|2,0,1]=4 809 B19R1.68071 CCCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000759014 [0,0,0,1,0,0|2,0,0]=3 810 B19R1.68071 O=C(O)C1CCN1CCCCCCCCCCCO 269956a_100000021838_100009812471 [0,0,0,1,0,0|1,0,0]=2 811 B19R1.280499 NC(=O)CCCCCNCCC1CCCCCCC1 2230a_100011532352_100009817443 [0,0,0,1,0,0|3,0,0]=4 812 B19R1.280499 NC(=O)CCCCCNCCC1CCCCCCC1 34a_100011532352_100009817443 [0,0,0,1,0,0|3,0,0]=4 813 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [2,0,0,0,0,0|1,0,0]=3 814 B16R0.274 CC(=O)CCCCNCCCCCCCCO 34a_102515433106_100009817362 [2,0,0,0,0,0|2,0,0]=4 815 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000735457 [2,0,0,0,0,0|2,0,0]=4 816 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000735457_100000033203 [2,0,0,0,0,0|2,0,0]=4 817 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [2,0,0,0,0,0|2,0,0]=4 818 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [2,0,0,0,0,0|2,0,0]=4 819 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [2,0,0,0,0,0|2,0,0]=4 820 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [2,0,0,0,0,0|2,0,0]=4 821 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [2,0,0,0,0,0|2,0,0]=4 822 B16R0.274 CC(=O)CCOCCCCCCCCCCO 34a_100000759926_100009813290 [2,0,0,0,0,0|2,0,0]=4 823 B16R0.274 CC(=O)CCOCCCCCCCCCCO 7a_100000759926_100009813290 [2,0,0,0,0,0|2,0,0]=4 824 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100000053229_200000033068 [2,0,0,0,0,0|2,0,0]=4 825 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000053229 [2,0,0,0,0,0|2,0,0]=4 826 B16R0.274 CC(=O)COCCCCCCCCCCCO 34a_100000211253_100009812471 [2,0,0,0,0,0|2,0,0]=4 827 B16R0.274 CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100015343762 [2,0,0,0,0,0|2,0,0]=4 828 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [2,0,0,0,0,0|2,0,0]=4 829 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [2,0,0,0,0,0|2,0,0]=4 830 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [2,0,0,0,0,0|2,0,0]=4 831 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [2,0,0,0,0,0|2,0,0]=4 832 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [2,0,0,0,0,0|2,0,0]=4 833 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [2,0,0,0,0,0|2,0,0]=4 834 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [2,0,0,0,0,0|2,0,0]=4 835 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [2,0,0,0,0,0|1,0,0]=3 836 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [2,0,0,0,0,0|1,0,1]=4 837 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [2,0,0,0,0,0|2,0,0]=4 838 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [2,0,0,0,0,0|2,0,0]=4 839 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [2,0,0,0,0,0|2,0,0]=4 840 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [2,0,0,0,0,0|1,0,1]=4 841 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [2,0,0,0,0,0|2,0,0]=4 842 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [2,0,0,0,0,0|1,0,1]=4 843 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [2,0,0,0,0,0|2,0,0]=4 844 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [2,0,0,0,0,0|2,0,0]=4 845 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [2,0,0,0,0,0|2,0,0]=4 846 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [2,0,0,0,0,0|2,0,0]=4 847 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [2,0,0,0,0,0|2,0,0]=4 848 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [2,0,0,0,0,0|2,0,0]=4 849 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [2,0,0,0,0,0|2,0,0]=4 850 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [2,0,0,0,0,0|2,0,0]=4 851 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [2,0,0,0,0,0|2,0,0]=4 852 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [2,0,0,0,0,0|2,0,0]=4 853 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [2,0,0,0,0,0|2,0,0]=4 854 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [2,0,0,0,0,0|2,0,0]=4 855 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [2,0,0,0,0,0|2,0,0]=4 856 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [2,0,0,0,0,0|2,0,0]=4 857 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [2,0,0,0,0,0|2,0,0]=4 858 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [2,0,0,0,0,0|2,0,0]=4 859 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [2,0,0,0,0,0|2,0,0]=4 860 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [2,0,0,0,0,0|2,0,0]=4 861 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [2,0,0,0,0,0|2,0,0]=4 862 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [2,0,0,0,0,0|2,0,0]=4 863 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [2,0,0,0,0,0|2,0,0]=4 864 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [2,0,0,0,0,0|2,0,0]=4 865 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [2,0,0,0,0,0|2,0,0]=4 866 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [2,0,0,0,0,0|2,0,0]=4 867 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [2,0,0,0,0,0|2,0,0]=4 868 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [2,0,0,0,0,0|2,0,0]=4 869 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [2,0,0,0,0,0|2,0,0]=4 870 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [2,0,0,0,0,0|2,0,0]=4 871 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [2,0,0,0,0,0|2,0,0]=4 872 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [2,0,0,0,0,0|2,0,0]=4 873 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [2,0,0,0,0,0|2,0,0]=4 874 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [2,0,0,0,0,0|2,0,0]=4 875 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [2,0,0,0,0,0|2,0,0]=4 876 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [2,0,0,0,0,0|2,0,0]=4 877 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [2,0,0,0,0,0|1,0,1]=4 878 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [2,0,0,0,0,0|2,0,0]=4 879 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [2,0,0,0,0,0|2,0,0]=4 880 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [2,0,0,0,0,0|2,0,0]=4 881 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [2,0,0,0,0,0|2,0,0]=4 882 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [2,0,0,0,0,0|2,0,0]=4 883 B16R0.274 NC(=O)CCCCCCCCCCNCCO 2230a_100016997473_200010167045 [2,0,0,0,0,0|2,0,0]=4 884 B16R0.274 NC(=O)CCCCCCCCCCNCCO 34a_100016990907_200010167045 [2,0,0,0,0,0|2,0,0]=4 885 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_100000211926_200010167045 [2,0,0,0,0,0|2,0,0]=4 886 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_200010167045_100000211926 [2,0,0,0,0,0|2,0,0]=4 887 B16R0.274 NC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009817443 [2,0,0,0,0,0|2,0,0]=4 888 B16R0.274 NC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009817443 [2,0,0,0,0,0|2,0,0]=4 889 B16R0.274 NC(=O)CCCCCOCCCCCCCO 34a_100000123541_100000760002 [2,0,0,0,0,0|2,0,0]=4 890 B16R0.274 NC(=O)CCCCCOCCCCCCCO 7a_100000123541_100000760002 [2,0,0,0,0,0|2,0,0]=4 891 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009817443 [2,0,0,0,0,0|2,0,0]=4 892 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100009817443_100000760002 [2,0,0,0,0,0|2,0,0]=4 893 B16R0.274 NC(=O)CCCCNCCCCCCCCO 34a_100000696515_100000033203 [2,0,0,0,0,0|2,0,0]=4 894 B16R0.274 NC(=O)CCCCOCCCCCCCCO 34a_100012022536_100000033203 [2,0,0,0,0,0|2,0,0]=4 895 B16R0.274 NC(=O)CCCCOCCCCCCCCO 7a_100012022536_100000033203 [2,0,0,0,0,0|2,0,0]=4 896 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [2,0,0,0,0,0|2,0,0]=4 897 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [2,0,0,0,0,0|2,0,0]=4 898 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [2,0,0,0,0,0|2,0,0]=4 899 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [2,0,0,0,0,0|2,0,0]=4 900 B16R0.274 NC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000744528 [2,0,0,0,0,0|2,0,0]=4 901 B16R0.274 NC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000731001 [2,0,0,0,0,0|2,0,0]=4 902 B16R0.274 NC(=O)CCOCCCCCCCCCCO 34a_100000757172_100009813290 [2,0,0,0,0,0|2,0,0]=4 903 B16R0.274 NC(=O)CCOCCCCCCCCCCO 7a_100000757172_100009813290 [2,0,0,0,0,0|2,0,0]=4 904 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100000744528_200000033068 [2,0,0,0,0,0|2,0,0]=4 905 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000744528 [2,0,0,0,0,0|2,0,0]=4 906 B16R0.274 NC(=O)CNCCCCCCCCCCCO 2230a_100000711301_100009812471 [2,0,0,0,0,0|2,0,0]=4 907 B16R0.274 NC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747473 [2,0,0,0,0,0|2,0,0]=4 908 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [2,0,0,0,0,0|1,0,0]=3 909 B16R0.274 O=C(O)COCCNCCCCCCCCO 269956a_100000700818_100000033203 [2,0,0,0,0,0|2,0,0]=4 910 B16R0.274 O=C(O)CONCCCCCCCCCCO 269956a_100000106656_100009813290 [2,0,0,0,0,0|2,0,0]=4 911 B16R0.274 O=C([O-])CCCCCOCCCCCCCO 7a_100102619762_100000760002 [2,0,0,0,0,0|1,0,1]=4 912 B16R0.274 O=C([O-])CSCCCCCCCCCCCO 62a_100009812471_100020667443 [2,0,0,0,0,0|1,0,1]=4 913 B16R0.303 C=CCCCCCCCCCCCNCCO 2230a_100016997473_102130925996 [2,0,0,0,0,0|1,0,1]=4 914 B16R0.303 C=CCCCCCCCCCCCNCCO 34a_100016990907_102130925996 [2,0,0,0,0,0|1,0,1]=4 915 B16R0.303 C=CCCCCCCCCCCCSCCO 62a_100000211926_102130925996 [2,0,0,0,0,0|1,0,1]=4 916 B16R0.303 C=CCCCCCCCCCCCSCCO 62a_102130925996_100000211926 [2,0,0,0,0,0|1,0,1]=4 917 B16R0.303 C=CCCCCCCCCCCSCCCO 62a_100011093070_100011215043 [2,0,0,0,0,0|1,0,1]=4 918 B16R0.303 C=CCCCCCCCCCCSCCCO 62a_100011215043_100011093070 [2,0,0,0,0,0|1,0,1]=4 919 B16R0.303 C=CCCCCCCCCCNCCCCO 2230a_100000081888_100000210776 [2,0,0,0,0,0|1,0,1]=4 920 B16R0.303 C=CCCCCCCCCCNCCCCO 2230a_100000750430_100009814027 [2,0,0,0,0,0|1,0,1]=4 921 B16R0.303 C=CCCCCCCCCCNCCCCO 34a_100000081888_100011216708 [2,0,0,0,0,0|1,0,1]=4 922 B16R0.303 C=CCCCCCCCCCNCCCCO 34a_100000750430_100009814027 [2,0,0,0,0,0|1,0,1]=4 923 B16R0.303 C=CCCCCCCCCCOCCCCO 34a_100000038209_100011216708 [2,0,0,0,0,0|1,0,1]=4 924 B16R0.303 C=CCCCCCCCCCOCCCCO 7a_100000038209_100000210776 [2,0,0,0,0,0|1,0,1]=4 925 B16R0.303 C=CCCCCCCCCCSCCCCO 62a_100000210776_100009814027 [2,0,0,0,0,0|1,0,1]=4 926 B16R0.303 C=CCCCCCCCCCSCCCCO 62a_100009814027_100000210776 [2,0,0,0,0,0|1,0,1]=4 927 B16R0.303 C=CCCCCCCCCNCCCCCO 2230a_100000762737_100011933949 [2,0,0,0,0,0|1,0,1]=4 928 B16R0.303 C=CCCCCCCCCNCCCCCO 34a_100000762737_100011933949 [2,0,0,0,0,0|1,0,1]=4 929 B16R0.303 C=CCCCCCCCCOCCCCCO 34a_100011215194_100000746330 [2,0,0,0,0,0|1,0,1]=4 930 B16R0.303 C=CCCCCCCCCOCCCCCO 7a_100011215194_100000746330 [2,0,0,0,0,0|1,0,1]=4 931 B16R0.303 C=CCCCCCCCCSCCCCCO 62a_100000746330_100011933949 [2,0,0,0,0,0|1,0,1]=4 932 B16R0.303 C=CCCCCCCCCSCCCCCO 62a_100011933949_100000746330 [2,0,0,0,0,0|1,0,1]=4 933 B16R0.303 C=CCCCCCCCNCCCCCCO 2230a_100000686447_100012355270 [2,0,0,0,0,0|1,0,1]=4 934 B16R0.303 C=CCCCCCCCNCCCCCCO 34a_100000686447_100012355270 [2,0,0,0,0,0|1,0,1]=4 935 B16R0.303 C=CCCCCCCCOCCCCCCO 34a_100000730831_100000766143 [2,0,0,0,0,0|1,0,1]=4 936 B16R0.303 C=CCCCCCCCOCCCCCCO 7a_100000730831_100000766143 [2,0,0,0,0,0|1,0,1]=4 937 B16R0.303 C=CCCCCCCCSCCCCCCO 62a_100000766143_100012355270 [2,0,0,0,0,0|1,0,1]=4 938 B16R0.303 C=CCCCCCCCSCCCCCCO 62a_100012355270_100000766143 [2,0,0,0,0,0|1,0,1]=4 939 B16R0.303 C=CCCCCCCNCCCCCCCO 2230a_100011996573_100011215473 [2,0,0,0,0,0|1,0,1]=4 940 B16R0.303 C=CCCCCCCNCCCCCCCO 34a_100011996573_100011215473 [2,0,0,0,0,0|1,0,1]=4 941 B16R0.303 C=CCCCCCCOCCCCCCCO 34a_200011216477_100000760002 [2,0,0,0,0,0|1,0,1]=4 942 B16R0.303 C=CCCCCCCOCCCCCCCO 7a_200011216477_100000760002 [2,0,0,0,0,0|1,0,1]=4 943 B16R0.303 C=CCCCCCCSCCCCCCCO 62a_100000760002_100011215473 [2,0,0,0,0,0|1,0,1]=4 944 B16R0.303 C=CCCCCCCSCCCCCCCO 62a_100011215473_100000760002 [2,0,0,0,0,0|1,0,1]=4 945 B16R0.303 C=CCCCCCNCCCCCCCCO 2230a_102515433106_100000700193 [2,0,0,0,0,0|1,0,1]=4 946 B16R0.303 C=CCCCCCNCCCCCCCCO 34a_102515433106_100000700193 [2,0,0,0,0,0|1,0,1]=4 947 B16R0.303 C=CCCCCCOCCCCCCCCO 34a_100011216702_100000033203 [2,0,0,0,0,0|1,0,1]=4 948 B16R0.303 C=CCCCCCOCCCCCCCCO 7a_100011216702_100000033203 [2,0,0,0,0,0|1,0,1]=4 949 B16R0.303 C=CCCCCCSCCCCCCCCO 62a_100000033203_100000700193 [2,0,0,0,0,0|1,0,1]=4 950 B16R0.303 C=CCCCCCSCCCCCCCCO 62a_100000700193_100000033203 [2,0,0,0,0,0|1,0,1]=4 951 B16R0.303 C=CCCCCNCCCCCCCCCO 2230a_100000078944_100011215482 [2,0,0,0,0,0|1,0,1]=4 952 B16R0.303 C=CCCCCNCCCCCCCCCO 2230a_100000703577_100009813782 [2,0,0,0,0,0|1,0,1]=4 953 B16R0.303 C=CCCCCNCCCCCCCCCO 34a_100000078944_100011215482 [2,0,0,0,0,0|1,0,1]=4 954 B16R0.303 C=CCCCCNCCCCCCCCCO 34a_100000703577_100009813782 [2,0,0,0,0,0|1,0,1]=4 955 B16R0.303 C=CCCCCOCCCCCCCCCO 34a_100000766645_100009813782 [2,0,0,0,0,0|1,0,1]=4 956 B16R0.303 C=CCCCCOCCCCCCCCCO 7a_100000766645_100009813782 [2,0,0,0,0,0|1,0,1]=4 957 B16R0.303 C=CCCCCSCCCCCCCCCO 62a_100009813782_100011215482 [2,0,0,0,0,0|1,0,1]=4 958 B16R0.303 C=CCCCCSCCCCCCCCCO 62a_100011215482_100009813782 [2,0,0,0,0,0|1,0,1]=4 959 B16R0.303 C=CCCCNCCCCCCCCCCO 2230a_100000066964_100011713584 [2,0,0,0,0,0|1,0,1]=4 960 B16R0.303 C=CCCCNCCCCCCCCCCO 2230a_100000700776_100009813290 [2,0,0,0,0,0|1,0,1]=4 961 B16R0.303 C=CCCCNCCCCCCCCCCO 34a_100000066964_100000757094 [2,0,0,0,0,0|1,0,1]=4 962 B16R0.303 C=CCCCNCCCCCCCCCCO 34a_100000700776_100009813290 [2,0,0,0,0,0|1,0,1]=4 963 B16R0.303 C=CCCCOCCCCCCCCCCO 34a_100000758997_100009813290 [2,0,0,0,0,0|1,0,1]=4 964 B16R0.303 C=CCCCOCCCCCCCCCCO 7a_100000758997_100009813290 [2,0,0,0,0,0|1,0,1]=4 965 B16R0.303 C=CCCCSCCCCCCCCCCO 62a_100009813290_100000757094 [2,0,0,0,0,0|1,0,1]=4 966 B16R0.303 C=CCCCSCCCCCCCCCCO 62a_100011713584_200000033068 [2,0,0,0,0,0|1,0,1]=4 967 B16R0.303 C=CCCNCCCCCCCCCCCO 2230a_100015191253_100009812471 [2,0,0,0,0,0|1,0,1]=4 968 B16R0.303 C=CCCOCCCCCCCCCCCO 34a_100011205117_100009812471 [2,0,0,0,0,0|1,0,1]=4 969 B16R0.303 C=CCCSCCCCCCCCCCCO 62a_100009812471_100000754431 [2,0,0,0,0,0|1,0,1]=4 970 B16R0.303 C=CCNCCCCCCCCCCCCO 2230a_100000066677_100000210623 [2,0,0,0,0,0|1,0,1]=4 971 B16R0.303 C=CCNCCCCCCCCCCCCO 2230a_100020586998_100009813331 [2,0,0,0,0,0|1,0,1]=4 972 B16R0.303 C=CCNCCCCCCCCCCCCO 34a_100000066677_100015514636 [2,0,0,0,0,0|1,0,1]=4 973 B16R0.303 C=CCOCCCCCCCCCCCCO 34a_200000210373_100009813331 [2,0,0,0,0,0|1,0,1]=4 974 B16R0.303 C=CCSCCCCCCCCCCCCO 62a_100009813331_100000210623 [2,0,0,0,0,0|1,0,1]=4 975 B16R0.303 CCCCCCCCCCCCCNCC=O 2230a_100011215765_200015260668 [2,0,0,0,0,0|1,0,0]=3 976 B16R0.303 CCCCCCCCCCCCCNCC=O 34a_100011215765_200009817547 [2,0,0,0,0,0|1,0,0]=3 977 B16R0.303 CCCCCCCCCCCCCNCCO 2230a_100011215765_100000211926 [2,0,0,0,0,0|1,0,1]=4 978 B16R0.303 CCCCCCCCCCCCCNCCO 2230a_100016997473_100000210684 [2,0,0,0,0,0|1,0,1]=4 979 B16R0.303 CCCCCCCCCCCCCNCCO 270004a_100000210304_200011215488 [2,0,0,0,0,0|1,0,1]=4 980 B16R0.303 CCCCCCCCCCCCCNCCO 34a_100011215765_100000211926 [2,0,0,0,0,0|1,0,1]=4 981 B16R0.303 CCCCCCCCCCCCCNCCO 34a_100016990907_100000210684 [2,0,0,0,0,0|1,0,1]=4 982 B16R0.303 CCCCCCCCCCCCCOCC=O 34a_100000185773_200009817547 [2,0,0,0,0,0|1,0,0]=3 983 B16R0.303 CCCCCCCCCCCCCOCC=O 7a_100000185773_200015260668 [2,0,0,0,0,0|1,0,0]=3 984 B16R0.303 CCCCCCCCCCCCCOCCO 34a_100000185773_100000211926 [2,0,0,0,0,0|1,0,1]=4 985 B16R0.303 CCCCCCCCCCCCCOCCO 7a_100000185773_100000211926 [2,0,0,0,0,0|1,0,1]=4 986 B16R0.303 CCCCCCCCCCCCNCCCO 2230a_100000210451_100000230001 [2,0,0,0,0,0|1,0,1]=4 987 B16R0.303 CCCCCCCCCCCCNCCCO 270004a_100000182051_100011218549 [2,0,0,0,0,0|1,0,1]=4 988 B16R0.303 CCCCCCCCCCCCNCCCO 34a_100000210451_100000230001 [2,0,0,0,0,0|1,0,1]=4 989 B16R0.303 CCCCCCCCCCCCOCCCO 34a_100000210810_100000230001 [2,0,0,0,0,0|1,0,1]=4 990 B16R0.303 CCCCCCCCCCCCOCCCO 7a_100000210810_100011215043 [2,0,0,0,0,0|1,0,1]=4 991 B16R0.303 CCCCCCCCCCCNCCCC=O 2230a_200011215754_200011292268 [2,0,0,0,0,0|1,0,0]=3 992 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_100000750430_100011215454 [2,0,0,0,0,0|1,0,1]=4 993 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_200011215754_100000210776 [2,0,0,0,0,0|1,0,1]=4 994 B16R0.303 CCCCCCCCCCCNCCCCO 34a_100000750430_100011215454 [2,0,0,0,0,0|1,0,1]=4 995 B16R0.303 CCCCCCCCCCCNCCCCO 34a_200011215754_100011216708 [2,0,0,0,0,0|1,0,1]=4 996 B16R0.303 CCCCCCCCCCCOCCCC=O 7a_100000210809_200011292268 [2,0,0,0,0,0|1,0,0]=3 997 B16R0.303 CCCCCCCCCCCOCCCCO 34a_100000210809_100011216708 [2,0,0,0,0,0|1,0,1]=4 998 B16R0.303 CCCCCCCCCCCOCCCCO 7a_100000210809_100000210776 [2,0,0,0,0,0|1,0,1]=4 999 B16R0.303 CCCCCCCCCCNCCCCC=O 2230a_100000684558_100000139335 [2,0,0,0,0,0|1,0,0]=3 1000 B16R0.303 CCCCCCCCCCNCCCCCO 2230a_100000684558_100000746330 [2,0,0,0,0,0|1,0,1]=4 1001 B16R0.303 CCCCCCCCCCNCCCCCO 2230a_100000762737_100000210320 [2,0,0,0,0,0|1,0,1]=4 1002 B16R0.303 CCCCCCCCCCNCCCCCO 34a_100000684558_100000746330 [2,0,0,0,0,0|1,0,1]=4 1003 B16R0.303 CCCCCCCCCCNCCCCCO 34a_100000762737_100000210320 [2,0,0,0,0,0|1,0,1]=4 1004 B16R0.303 CCCCCCCCCCOCCCCC=O 7a_100000210711_100000139335 [2,0,0,0,0,0|1,0,0]=3 1005 B16R0.303 CCCCCCCCCCOCCCCCO 34a_100000210711_100000746330 [2,0,0,0,0,0|1,0,1]=4 1006 B16R0.303 CCCCCCCCCCOCCCCCO 7a_100000210711_100000746330 [2,0,0,0,0,0|1,0,1]=4 1007 B16R0.303 CCCCCCCCCCSCCOCC=O 34a_100011628728_200009817547 [2,0,0,0,0,0|2,0,0]=4 1008 B16R0.303 CCCCCCCCCCSCCOCC=O 7a_100011628728_200015260668 [2,0,0,0,0,0|2,0,0]=4 1009 B16R0.303 CCCCCCCCCNCCCCCC=O 2230a_100000212291_100000139337 [2,0,0,0,0,0|1,0,0]=3 1010 B16R0.303 CCCCCCCCCNCCCCCCO 2230a_100000212291_100000766143 [2,0,0,0,0,0|1,0,1]=4 1011 B16R0.303 CCCCCCCCCNCCCCCCO 2230a_100000686447_100011214924 [2,0,0,0,0,0|1,0,1]=4 1012 B16R0.303 CCCCCCCCCNCCCCCCO 34a_100000212291_100000766143 [2,0,0,0,0,0|1,0,1]=4 1013 B16R0.303 CCCCCCCCCNCCCCCCO 34a_100000686447_100011214924 [2,0,0,0,0,0|1,0,1]=4 1014 B16R0.303 CCCCCCCCCOCCCCCC=O 7a_100000210712_100000139337 [2,0,0,0,0,0|1,0,0]=3 1015 B16R0.303 CCCCCCCCCOCCCCCCO 34a_100000210712_100000766143 [2,0,0,0,0,0|1,0,1]=4 1016 B16R0.303 CCCCCCCCCOCCCCCCO 7a_100000210712_100000766143 [2,0,0,0,0,0|1,0,1]=4 1017 B16R0.303 CCCCCCCCNCCCCCCCO 2230a_100000229939_100000760002 [2,0,0,0,0,0|1,0,1]=4 1018 B16R0.303 CCCCCCCCNCCCCCCCO 2230a_100011996573_100000210759 [2,0,0,0,0,0|1,0,1]=4 1019 B16R0.303 CCCCCCCCNCCCCCCCO 34a_100000229939_100000760002 [2,0,0,0,0,0|1,0,1]=4 1020 B16R0.303 CCCCCCCCNCCCCCCCO 34a_100011996573_100000210759 [2,0,0,0,0,0|1,0,1]=4 1021 B16R0.303 CCCCCCCCOCCCCCCCO 34a_100000210232_100000760002 [2,0,0,0,0,0|1,0,1]=4 1022 B16R0.303 CCCCCCCCOCCCCCCCO 7a_100000210232_100000760002 [2,0,0,0,0,0|1,0,1]=4 1023 B16R0.303 CCCCCCCNCCCCCCCCO 2230a_100000229938_100000033203 [2,0,0,0,0,0|1,0,1]=4 1024 B16R0.303 CCCCCCCNCCCCCCCCO 2230a_102515433106_100000210681 [2,0,0,0,0,0|1,0,1]=4 1025 B16R0.303 CCCCCCCNCCCCCCCCO 34a_102515433106_100000210614 [2,0,0,0,0,0|1,0,1]=4 1026 B16R0.303 CCCCCCCOCCCCCCCCO 34a_100000210272_100000033203 [2,0,0,0,0,0|1,0,1]=4 1027 B16R0.303 CCCCCCCOCCCCCCCCO 7a_100000210272_100000033203 [2,0,0,0,0,0|1,0,1]=4 1028 B16R0.303 CCCCCCNCCCCCCCCCO 2230a_100000078944_100000210314 [2,0,0,0,0,0|1,0,1]=4 1029 B16R0.303 CCCCCCNCCCCCCCCCO 2230a_100000210581_100009813782 [2,0,0,0,0,0|1,0,1]=4 1030 B16R0.303 CCCCCCNCCCCCCCCCO 34a_100000078944_100000210314 [2,0,0,0,0,0|1,0,1]=4 1031 B16R0.303 CCCCCCOCCCCCCCCCO 34a_100000210259_100009813782 [2,0,0,0,0,0|1,0,1]=4 1032 B16R0.303 CCCCCCOCCCCCCCCCO 7a_100000210259_100009813782 [2,0,0,0,0,0|1,0,1]=4 1033 B16R0.303 CCCCCCOCCOCCCCCC=O 7a_100000691444_100000139337 [2,0,0,0,0,0|2,0,0]=4 1034 B16R0.303 CCCCCNCCCCCCCCCCO 2230a_100000066964_100000210326 [2,0,0,0,0,0|1,0,1]=4 1035 B16R0.303 CCCCCNCCCCCCCCCCO 2230a_100000209983_100009813290 [2,0,0,0,0,0|1,0,1]=4 1036 B16R0.303 CCCCCNCCCCCCCCCCO 34a_100000066964_100000718602 [2,0,0,0,0,0|1,0,1]=4 1037 B16R0.303 CCCCCOCCCCCCCCCCO 34a_100000210253_100009813290 [2,0,0,0,0,0|1,0,1]=4 1038 B16R0.303 CCCCCOCCCCCCCCCCO 7a_100000210253_100009813290 [2,0,0,0,0,0|1,0,1]=4 1039 B16R0.303 CCCCNCCCCCCCCCCCO 2230a_100000102301_100009812471 [2,0,0,0,0,0|1,0,1]=4 1040 B16R0.303 CCCCNCCCCCCCCCCCO 7a_106832991798_100009812471 [2,0,0,0,0,0|1,0,1]=4 1041 B16R0.303 CCCCOCCCCCCCCCCCO 34a_100000210227_100009812471 [2,0,0,0,0,0|1,0,1]=4 1042 B16R0.303 CCCCOCCCCCCCCCCCO 7a_100000210227_100009812471 [2,0,0,0,0,0|1,0,1]=4 1043 B16R0.303 CCCCOCCCCOCCCCCC=O 7a_200000760531_100000139337 [2,0,0,0,0,0|2,0,0]=4 1044 B16R0.303 CCCNCCCCCCCCCCCCO 2230a_100000066677_100000210303 [2,0,0,0,0,0|1,0,1]=4 1045 B16R0.303 CCCNCCCCCCCCCCCCO 34a_100000066677_100000210303 [2,0,0,0,0,0|1,0,1]=4 1046 B16R0.303 CCCOCCCCCCCCCCCCO 34a_100000210258_100009813331 [2,0,0,0,0,0|1,0,1]=4 1047 B16R0.303 CCNCCCCCCCCCCCCCO 2230a_100015525214_100009812470 [2,0,0,0,0,0|1,0,1]=4 1048 B16R0.303 CCOCCCCCCCCCCCCCO 34a_100121572206_100009812470 [2,0,0,0,0,0|1,0,1]=4 1049 B16R0.303 CNCCCCCCCCCCCCCCO 2230a_106832991635_100009828009 [2,0,0,0,0,0|1,0,1]=4 1050 B16R0.303 CNCCCCCCCCCCCCCCO 34a_100102657272_100009828009 [2,0,0,0,0,0|1,0,1]=4 1051 B16R0.303 CNCCCCCCCCCCCCCCO 7a_106832991635_100009828009 [2,0,0,0,0,0|1,0,1]=4 1052 B16R0.303 COCCCCCCCCCCCCCCO 34a_100138415774_100009828009 [2,0,0,0,0,0|1,0,1]=4 1053 B16R0.303 NCCCCCCCCCCCCOCC=O 34a_100000066677_200009817547 [2,0,0,0,0,0|2,0,0]=4 1054 B16R0.303 NCCCCCCCCCCCCOCCO 34a_100000066677_100000211926 [2,0,0,0,0,0|2,0,0]=4 1055 B16R0.303 NCCCCCCCCCCOCCCCO 34a_100000066964_100011216708 [2,0,0,0,0,0|2,0,0]=4 1056 B16R0.303 NCCCCCCCCCOCCCCCO 34a_100000078944_100000746330 [2,0,0,0,0,0|2,0,0]=4 1057 B16R0.303 NCCCCCCCCOCCCCCCO 34a_102515433106_100000766143 [2,0,0,0,0,0|2,0,0]=4 1058 B16R0.303 NCCCCCCCOCCCCCCCO 34a_100011996573_100000760002 [2,0,0,0,0,0|2,0,0]=4 1059 B16R0.303 NCCCCCCOCCCCCCCCO 34a_100000686447_100000033203 [2,0,0,0,0,0|2,0,0]=4 1060 B16R0.303 NCCCCCOCCCCCCCCCO 34a_100000762737_100009813782 [2,0,0,0,0,0|2,0,0]=4 1061 B16R0.303 NCCCCOCCCCCCCCCCO 34a_100000750430_100009813290 [2,0,0,0,0,0|2,0,0]=4 1062 B16R0.303 NCCCOCCCCCCCCCCCO 34a_100000182051_100009812471 [2,0,0,0,0,0|2,0,0]=4 1063 B16R0.303 NCCOCCCCCCCCCCCCO 34a_100000210304_100009813331 [2,0,0,0,0,0|2,0,0]=4 1064 B16R0.303 O=CCCCCCNCCCCCCCCO 2230a_102515433106_100000139337 [2,0,0,0,0,0|1,0,0]=3 1065 B16R0.303 O=CCCCCCOCCCCCCCCBr 7a_100009813846_100000139337 [2,0,0,0,0,0|2,0,0]=4 1066 B16R0.303 O=CCCCCCOCCCCCCCCCl 7a_100000033203_100000139337 [2,0,0,0,0,0|2,0,0]=4 1067 B16R0.303 O=CCCCCCSCCCCCCCCO 62a_100000033203_100000139337 [2,0,0,0,0,0|1,0,0]=3 1068 B16R0.303 O=CCCCCCSCCCCCCCCO 62a_100000139337_100000033203 [2,0,0,0,0,0|1,0,0]=3 1069 B16R0.303 O=CCCCCNCCCCCCCCCO 2230a_100000078944_100000139335 [2,0,0,0,0,0|1,0,0]=3 1070 B16R0.303 O=CCCCCOCCCCCCCCCBr 7a_100009813782_100000139335 [2,0,0,0,0,0|2,0,0]=4 1071 B16R0.303 O=CCCCCOCCCCCCCCCCl 7a_100009868337_100000139335 [2,0,0,0,0,0|2,0,0]=4 1072 B16R0.303 O=CCCCCSCCCCCCCCCO 62a_100000139335_100009813782 [2,0,0,0,0,0|1,0,0]=3 1073 B16R0.303 O=CCCCCSCCCCCCCCCO 62a_100009813782_100000139335 [2,0,0,0,0,0|1,0,0]=3 1074 B16R0.303 O=CCCCNCCCCCCCCCCO 2230a_100000066964_200011292268 [2,0,0,0,0,0|1,0,0]=3 1075 B16R0.303 O=CCCCOCCCCCCCCCCBr 7a_100009813290_200011292268 [2,0,0,0,0,0|2,0,0]=4 1076 B16R0.303 O=CCCCOCCCCCCCCCCCl 7a_200000033068_200011292268 [2,0,0,0,0,0|2,0,0]=4 1077 B16R0.303 O=CCCCSCCCCCCCCCCO 62a_100009813290_200011292268 [2,0,0,0,0,0|1,0,0]=3 1078 B16R0.303 O=CCCCSCCCCCCCCCCO 62a_200011292268_200000033068 [2,0,0,0,0,0|1,0,0]=3 1079 B16R0.303 O=CCNCCCCCCCCCCCCO 2230a_100000066677_200015260668 [2,0,0,0,0,0|1,0,0]=3 1080 B16R0.303 O=CCNCCCCCCCCCCCCO 34a_100000066677_200009817547 [2,0,0,0,0,0|1,0,0]=3 1081 B16R0.303 O=CCOCCCCCCCCCCCCBr 34a_100009813331_200009817547 [2,0,0,0,0,0|2,0,0]=4 1082 B16R0.303 O=CCOCCCCCCCCCCCCBr 7a_100009813331_200015260668 [2,0,0,0,0,0|2,0,0]=4 1083 B16R0.303 O=CCSCCCCCCCCCCCCO 62a_100009813331_200015260668 [2,0,0,0,0,0|1,0,0]=3 1084 B16R0.303 O=CCSCCCCCCOCCCCCO 62a_200015260668_200132310570 [2,0,0,0,0,0|2,0,0]=4 1085 B16R0.303 O=CCSCCCCCCOCCCCCO 62a_200132310570_200015260668 [2,0,0,0,0,0|2,0,0]=4 1086 B16R0.303 OCCCCCCCCCCCCCSCF 62a_100009812470_100015361967 [2,0,0,0,0,0|2,0,0]=4 1087 B16R0.303 OCCCCCCCCCCCCNCCF 2230a_100000066677_100011217306 [2,0,0,0,0,0|2,0,0]=4 1088 B16R0.303 OCCCCCCCCCCCCNCCF 34a_100000066677_100011217306 [2,0,0,0,0,0|2,0,0]=4 1089 B16R0.303 OCCCCCCCCCCCCNCCF 34a_100000724931_100009813331 [2,0,0,0,0,0|2,0,0]=4 1090 B16R0.303 OCCCCCCCCCCCCNCCO 2230a_100000066677_100000211926 [2,0,0,0,0,0|1,0,0]=3 1091 B16R0.303 OCCCCCCCCCCCCNCCO 2230a_100016997473_100009813331 [2,0,0,0,0,0|1,0,0]=3 1092 B16R0.303 OCCCCCCCCCCCCNCCO 34a_100000066677_100000211926 [2,0,0,0,0,0|1,0,0]=3 1093 B16R0.303 OCCCCCCCCCCCCNCCO 34a_100016990907_100009813331 [2,0,0,0,0,0|1,0,0]=3 1094 B16R0.303 OCCCCCCCCCCCCOCCBr 34a_100000211926_100009813331 [2,0,0,0,0,0|2,0,0]=4 1095 B16R0.303 OCCCCCCCCCCCCSCCF 62a_100009813331_100011217306 [2,0,0,0,0,0|2,0,0]=4 1096 B16R0.303 OCCCCCCCCCCCCSCCO 62a_100009813331_100000211926 [2,0,0,0,0,0|1,0,0]=3 1097 B16R0.303 OCCCCCCCCCCCNCCCF 2230a_100015189416_100009812471 [2,0,0,0,0,0|2,0,0]=4 1098 B16R0.303 OCCCCCCCCCCCNCCCF 34a_100015189416_100009812471 [2,0,0,0,0,0|2,0,0]=4 1099 B16R0.303 OCCCCCCCCCCCOCCCBr 34a_100011217188_100009812471 [2,0,0,0,0,0|2,0,0]=4 1100 B16R0.303 OCCCCCCCCCCCOCCCCl 34a_100000230001_100009812471 [2,0,0,0,0,0|2,0,0]=4 1101 B16R0.303 OCCCCCCCCCCCOCCCF 34a_100000759539_100009812471 [2,0,0,0,0,0|2,0,0]=4 1102 B16R0.303 OCCCCCCCCCCCSCCCF 62a_100009812471_100011934791 [2,0,0,0,0,0|2,0,0]=4 1103 B16R0.303 OCCCCCCCCCCCSCCCO 62a_100009812471_100011215043 [2,0,0,0,0,0|1,0,0]=3 1104 B16R0.303 OCCCCCCCCCCNCCCCF 2230a_100000066964_100000729493 [2,0,0,0,0,0|2,0,0]=4 1105 B16R0.303 OCCCCCCCCCCNCCCCF 34a_100000066964_100000729493 [2,0,0,0,0,0|2,0,0]=4 1106 B16R0.303 OCCCCCCCCCCNCCCCO 2230a_100000066964_100000210776 [2,0,0,0,0,0|1,0,0]=3 1107 B16R0.303 OCCCCCCCCCCNCCCCO 2230a_100000750430_100009813290 [2,0,0,0,0,0|1,0,0]=3 1108 B16R0.303 OCCCCCCCCCCNCCCCO 34a_100000066964_100011216708 [2,0,0,0,0,0|1,0,0]=3 1109 B16R0.303 OCCCCCCCCCCNCCCCO 34a_100000750430_100009813290 [2,0,0,0,0,0|1,0,0]=3 1110 B16R0.303 OCCCCCCCCCCOCCCCBr 34a_100011216708_100009813290 [2,0,0,0,0,0|2,0,0]=4 1111 B16R0.303 OCCCCCCCCCCOCCCCCl 34a_100000210776_100009813290 [2,0,0,0,0,0|2,0,0]=4 1112 B16R0.303 OCCCCCCCCCCOCCCCCl 7a_100000210776_100009813290 [2,0,0,0,0,0|2,0,0]=4 1113 B16R0.303 OCCCCCCCCCCOCCCCF 34a_100011995726_100009813290 [2,0,0,0,0,0|2,0,0]=4 1114 B16R0.303 OCCCCCCCCCCOCCCCF 7a_100011995726_100009813290 [2,0,0,0,0,0|2,0,0]=4 1115 B16R0.303 OCCCCCCCCCCOCCCCI 34a_200012148704_100009813290 [2,0,0,0,0,0|2,0,0]=4 1116 B16R0.303 OCCCCCCCCCCSCCCCF 62a_100000729493_200000033068 [2,0,0,0,0,0|2,0,0]=4 1117 B16R0.303 OCCCCCCCCCCSCCCCF 62a_100009813290_100000729493 [2,0,0,0,0,0|2,0,0]=4 1118 B16R0.303 OCCCCCCCCCCSCCCCO 62a_100000210776_200000033068 [2,0,0,0,0,0|1,0,0]=3 1119 B16R0.303 OCCCCCCCCCCSCCCCO 62a_100009813290_100000210776 [2,0,0,0,0,0|1,0,0]=3 1120 B16R0.303 OCCCCCCCCCNCCCCCF 2230a_100000078944_100000729378 [2,0,0,0,0,0|2,0,0]=4 1121 B16R0.303 OCCCCCCCCCNCCCCCF 34a_100000078944_100000729378 [2,0,0,0,0,0|2,0,0]=4 1122 B16R0.303 OCCCCCCCCCNCCCCCO 2230a_100000078944_100000746330 [2,0,0,0,0,0|1,0,0]=3 1123 B16R0.303 OCCCCCCCCCNCCCCCO 2230a_100000762737_100009813782 [2,0,0,0,0,0|1,0,0]=3 1124 B16R0.303 OCCCCCCCCCNCCCCCO 34a_100000078944_100000746330 [2,0,0,0,0,0|1,0,0]=3 1125 B16R0.303 OCCCCCCCCCNCCCCCO 34a_100000762737_100009813782 [2,0,0,0,0,0|1,0,0]=3 1126 B16R0.303 OCCCCCCCCCNCCOCCO 2230a_100000078944_100011215305 [2,0,0,0,0,0|2,0,0]=4 1127 B16R0.303 OCCCCCCCCCNCCOCCO 2230a_100000211614_100009813782 [2,0,0,0,0,0|2,0,0]=4 1128 B16R0.303 OCCCCCCCCCNCCOCCO 34a_100000078944_100000692535 [2,0,0,0,0,0|2,0,0]=4 1129 B16R0.303 OCCCCCCCCCNCCOCCO 34a_100000211614_100009813782 [2,0,0,0,0,0|2,0,0]=4 1130 B16R0.303 OCCCCCCCCCNCCSCCO 2230a_100011219999_100009813782 [2,0,0,0,0,0|2,0,0]=4 1131 B16R0.303 OCCCCCCCCCOCCCCCBr 34a_100000746331_100009813782 [2,0,0,0,0,0|2,0,0]=4 1132 B16R0.303 OCCCCCCCCCOCCCCCBr 7a_100000746331_100009813782 [2,0,0,0,0,0|2,0,0]=4 1133 B16R0.303 OCCCCCCCCCOCCCCCCl 34a_100000746330_100009813782 [2,0,0,0,0,0|2,0,0]=4 1134 B16R0.303 OCCCCCCCCCOCCCCCCl 7a_100000746330_100009813782 [2,0,0,0,0,0|2,0,0]=4 1135 B16R0.303 OCCCCCCCCCOCCCCCI 34a_200012148887_100009813782 [2,0,0,0,0,0|2,0,0]=4 1136 B16R0.303 OCCCCCCCCCOCCCCCI 7a_200012148887_100009813782 [2,0,0,0,0,0|2,0,0]=4 1137 B16R0.303 OCCCCCCCCCSCCCCCF 62a_100000729378_100009813782 [2,0,0,0,0,0|2,0,0]=4 1138 B16R0.303 OCCCCCCCCCSCCCCCF 62a_100009813782_100000729378 [2,0,0,0,0,0|2,0,0]=4 1139 B16R0.303 OCCCCCCCCCSCCCCCO 62a_100000746330_100009813782 [2,0,0,0,0,0|1,0,0]=3 1140 B16R0.303 OCCCCCCCCCSCCCCCO 62a_100009813782_100000746330 [2,0,0,0,0,0|1,0,0]=3 1141 B16R0.303 OCCCCCCCCCSCCOCCO 62a_100009813782_100011215305 [2,0,0,0,0,0|2,0,0]=4 1142 B16R0.303 OCCCCCCCCCSCCOCCO 62a_100011215305_100009813782 [2,0,0,0,0,0|2,0,0]=4 1143 B16R0.303 OCCCCCCCCNCCCCCCF 2230a_102515433106_100015922095 [2,0,0,0,0,0|2,0,0]=4 1144 B16R0.303 OCCCCCCCCNCCCCCCF 34a_102515433106_100015922095 [2,0,0,0,0,0|2,0,0]=4 1145 B16R0.303 OCCCCCCCCNCCCCCCO 2230a_100000686447_100000033203 [2,0,0,0,0,0|1,0,0]=3 1146 B16R0.303 OCCCCCCCCNCCCCCCO 2230a_102515433106_100000766143 [2,0,0,0,0,0|1,0,0]=3 1147 B16R0.303 OCCCCCCCCNCCCCCCO 34a_100000686447_100000033203 [2,0,0,0,0,0|1,0,0]=3 1148 B16R0.303 OCCCCCCCCNCCCCCCO 34a_102515433106_100000766143 [2,0,0,0,0,0|1,0,0]=3 1149 B16R0.303 OCCCCCCCCOCCCCCCBr 34a_100011215345_100000033203 [2,0,0,0,0,0|2,0,0]=4 1150 B16R0.303 OCCCCCCCCOCCCCCCBr 7a_100011215345_100000033203 [2,0,0,0,0,0|2,0,0]=4 1151 B16R0.303 OCCCCCCCCOCCCCCCCl 34a_100000766143_100000033203 [2,0,0,0,0,0|2,0,0]=4 1152 B16R0.303 OCCCCCCCCOCCCCCCCl 7a_100000766143_100000033203 [2,0,0,0,0,0|2,0,0]=4 1153 B16R0.303 OCCCCCCCCOCCCCCCF 34a_100000732779_100000033203 [2,0,0,0,0,0|2,0,0]=4 1154 B16R0.303 OCCCCCCCCOCCCCCCF 7a_100000732779_100000033203 [2,0,0,0,0,0|2,0,0]=4 1155 B16R0.303 OCCCCCCCCSCCCCCCF 62a_100000033203_100015922095 [2,0,0,0,0,0|2,0,0]=4 1156 B16R0.303 OCCCCCCCCSCCCCCCF 62a_100015922095_100000033203 [2,0,0,0,0,0|2,0,0]=4 1157 B16R0.303 OCCCCCCCCSCCCCCCO 62a_100000033203_100000766143 [2,0,0,0,0,0|1,0,0]=3 1158 B16R0.303 OCCCCCCCCSCCCCCCO 62a_100000766143_100000033203 [2,0,0,0,0,0|1,0,0]=3 1159 B16R0.303 OCCCCCCCNCCCCCCCO 2230a_100011996573_100000760002 [2,0,0,0,0,0|1,0,0]=3 1160 B16R0.303 OCCCCCCCNCCCCCCCO 34a_100011996573_100000760002 [2,0,0,0,0,0|1,0,0]=3 1161 B16R0.303 OCCCCCCCNCCCOCCCO 2230a_100011310245_100000760002 [2,0,0,0,0,0|2,0,0]=4 1162 B16R0.303 OCCCCCCCNCCCOCCCO 34a_100011310245_100000760002 [2,0,0,0,0,0|2,0,0]=4 1163 B16R0.303 OCCCCCCCOCCCCCCCBr 34a_100000760002_100000760002 [2,0,0,0,0,0|2,0,0]=4 1164 B16R0.303 OCCCCCCCOCCCCCCCBr 7a_100000760002_100000760002 [2,0,0,0,0,0|2,0,0]=4 1165 B16R0.303 OCCCCCCCSCCCCCCCO 62a_100000760002_100000760002 [2,0,0,0,0,0|1,0,0]=3 1166 B16R0.303 OCCCCCCOCCCCCCCCBr 34a_100009813846_100000766143 [2,0,0,0,0,0|2,0,0]=4 1167 B16R0.303 OCCCCCCOCCCCCCCCBr 7a_100009813846_100000766143 [2,0,0,0,0,0|2,0,0]=4 1168 B16R0.303 OCCCCCCOCCCCCCCCCl 34a_100000033203_100000766143 [2,0,0,0,0,0|2,0,0]=4 1169 B16R0.303 OCCCCCCOCCCCCCCCCl 7a_100000033203_100000766143 [2,0,0,0,0,0|2,0,0]=4 1170 B16R0.303 OCCCCCOCCCCCCCCCBr 34a_100009813782_100000746330 [2,0,0,0,0,0|2,0,0]=4 1171 B16R0.303 OCCCCCOCCCCCCCCCBr 7a_100009813782_100000746330 [2,0,0,0,0,0|2,0,0]=4 1172 B16R0.303 OCCCCCOCCCCCCCCCCl 34a_100009868337_100000746330 [2,0,0,0,0,0|2,0,0]=4 1173 B16R0.303 OCCCCCOCCCCCCCCCCl 7a_100009868337_100000746330 [2,0,0,0,0,0|2,0,0]=4 1174 B16R0.303 OCCCCCOCCCCCCNCCO 2230a_100016997473_200132310570 [2,0,0,0,0,0|2,0,0]=4 1175 B16R0.303 OCCCCCOCCCCCCNCCO 34a_100016990907_200132310570 [2,0,0,0,0,0|2,0,0]=4 1176 B16R0.303 OCCCCCOCCCCCCSCCO 62a_100000211926_200132310570 [2,0,0,0,0,0|2,0,0]=4 1177 B16R0.303 OCCCCCOCCCCCCSCCO 62a_200132310570_100000211926 [2,0,0,0,0,0|2,0,0]=4 1178 B16R0.303 OCCCCOCCCCCCCCCCBr 34a_100009813290_100011216708 [2,0,0,0,0,0|2,0,0]=4 1179 B16R0.303 OCCCCOCCCCCCCCCCBr 7a_100009813290_100000210776 [2,0,0,0,0,0|2,0,0]=4 1180 B16R0.303 OCCCCOCCCCCCCCCCCl 34a_200000033068_100011216708 [2,0,0,0,0,0|2,0,0]=4 1181 B16R0.303 OCCCCOCCCCCCCCCCCl 7a_200000033068_100000210776 [2,0,0,0,0,0|2,0,0]=4 1182 B16R0.303 OCCCOCCCCCCCCCCCBr 34a_100009812471_100000230001 [2,0,0,0,0,0|2,0,0]=4 1183 B16R0.303 OCCCOCCCCCCCCCCCBr 7a_100009812471_100011215043 [2,0,0,0,0,0|2,0,0]=4 1184 B16R0.303 OCCOCCCCCCCCCCCCBr 34a_100009813331_100000211926 [2,0,0,0,0,0|2,0,0]=4 1185 B16R0.303 OCCOCCCCCCCCCCCCBr 7a_100009813331_100000211926 [2,0,0,0,0,0|2,0,0]=4 1186 B18R0.2 CCCCC(=O)CCCCCCCCCCC(=O)N 1458a_100000210183_200010167045 [1,1,0,0,0,0|1,0,1]=4 1187 B18R0.2 CCCCC(C)CCCCOCCCCCC(=O)N 34a_200011021034_100009817443 [1,1,0,0,0,0|2,0,0]=4 1188 B18R0.2 CCCCC(C)CCCCOCCCCCC(=O)N 7a_200011021034_100009817443 [1,1,0,0,0,0|2,0,0]=4 1189 B18R0.2 CCCCN(C)CCCCCCCCCCC(=O)N 2230a_100000207549_200010167045 [1,1,0,0,0,0|2,0,0]=4 1190 B18R0.2 CCCCN(C)CCCCCCCCCCC(=O)N 269982a_100000207549_200010167045 [1,1,0,0,0,0|2,0,0]=4 1191 B18R0.2 CN(CCCO)CCCCCCCCCCC(=O)N 2230a_100000213112_200010167045 [1,1,0,0,0,0|2,0,0]=4 1192 B18R0.2 CN(CCCO)CCCCCCCCCCC(=O)N 269982a_100000213112_200010167045 [1,1,0,0,0,0|2,0,0]=4 1193 B18R0.94 CCCCCCCCC(C)CNCCCCC(=O)N 270004a_100000696515_100011995885 [1,1,0,0,0,0|2,0,0]=4 1194 B18R0.94 CCCCCCCCC(C)OCCCCCC(=O)N 34a_100000210740_100009817443 [1,1,0,0,0,0|2,0,0]=4 1195 B18R0.94 CCCCCCCCC(C)OCCCCCC(=O)N 7a_100000210740_100009817443 [1,1,0,0,0,0|2,0,0]=4 1196 B18R0.114 CC(CO)CNCCCCCCCCCCC(=O)N 34a_100000744482_200010167045 [1,1,0,0,0,0|2,0,0]=4 1197 B18R0.114 CCC(C)CNCCCCCCCCCCC(=O)N 2230a_100020588543_200010167045 [1,1,0,0,0,0|2,0,0]=4 1198 B18R0.114 CCC(C)CSCCCCCCCCCCC(=O)N 62a_100000748023_200010167045 [1,1,0,0,0,0|2,0,0]=4 1199 B18R0.114 CCC(C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000748023 [1,1,0,0,0,0|2,0,0]=4 1200 B18R0.114 CCC(O)CNCCCCCCCCCCC(=O)N 2230a_100011218483_200010167045 [1,1,0,0,0,0|2,0,0]=4 1201 B18R0.114 CCC(O)CSCCCCCCCCCCC(=O)N 62a_100011218378_200010167045 [1,1,0,0,0,0|2,0,0]=4 1202 B18R0.114 CCC(O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100011218378 [1,1,0,0,0,0|2,0,0]=4 1203 B18R0.114 CC[C@H](C)COCCCCCCCCCCC(=O)N 7a_100009816381_200010167045 [1,1,0,0,0,0|2,0,0]=4 1204 B18R0.114 CC[C@H](C)CSCCCCCCCCCCC(=O)N 62a_100009816398_200010167045 [1,1,0,0,0,0|2,0,0]=4 1205 B18R0.114 CC[C@H](C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100009816398 [1,1,0,0,0,0|2,0,0]=4 1206 B18R0.114 C[C@@H](CO)CSCCCCCCCCCCC(=O)N 62a_100000059175_200010167045 [1,1,0,0,0,0|2,0,0]=4 1207 B18R0.114 C[C@@H](CO)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000059175 [1,1,0,0,0,0|2,0,0]=4 1208 B18R0.114 NC(=O)CCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_200010167045 [1,1,0,0,0,0|2,0,0]=4 1209 B18R0.114 NC(=O)CCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_200010167045 [1,1,0,0,0,0|2,0,0]=4 1210 B18R0.114 NC(=O)CCCCCCCCCCSCC(O)CO 62a_100011219619_200010167045 [1,1,0,0,0,0|2,0,0]=4 1211 B18R0.114 NC(=O)CCCCCCCCCCSCC(O)CO 62a_200010167045_100011219619 [1,1,0,0,0,0|2,0,0]=4 1212 B18R0.114 NC(=O)CCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_200010167045 [1,1,0,0,0,0|2,0,0]=4 1213 B18R0.114 NC(=O)CCCCCCCCCCSC[C@@H](O)CO 62a_200010167045_100009815848 [1,1,0,0,0,0|2,0,0]=4 1214 B18R0.127 CCCCCCC(C)CCOCCCCCC(=O)N 34a_200011024964_100009817443 [1,1,0,0,0,0|2,0,0]=4 1215 B18R0.127 CCCCCCC(C)CCOCCCCCC(=O)N 7a_200011024964_100009817443 [1,1,0,0,0,0|2,0,0]=4 1216 B18R0.171 C#CC(=O)CCCCCCCCCCCCCCO 1458a_100000211873_100009828009 [1,1,0,0,0,0|1,0,0]=3 1217 B18R0.171 C=CC(=O)NCCCCCCCCCCCCCC 1626a_100011217771_100000185746 [1,1,0,0,0,0|2,0,0]=4 1218 B18R0.171 C=CC(=O)NCCCCCCCCCCCCCC 240690a_100011217771_200121576911 [1,1,0,0,0,0|2,0,0]=4 1219 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 240690a_100011217771_100000210174 [1,1,0,0,0,0|1,0,0]=3 1220 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 527a_100011217771_100000210174 [1,1,0,0,0,0|1,0,0]=3 1221 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 2708a_100011217771_106832991635 [1,1,0,0,0,0|2,0,0]=4 1222 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100011217771 [1,1,0,0,0,0|2,0,0]=4 1223 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 273464a_100011217771_100102657272 [1,1,0,0,0,0|2,0,0]=4 1224 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100011217771 [1,1,0,0,0,0|2,0,0]=4 1225 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 512a_100011217771_100102657272 [1,1,0,0,0,0|2,0,0]=4 1226 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 512a_106832991638_100011217771 [1,1,0,0,0,0|2,0,0]=4 1227 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210684 [1,1,0,0,0,0|2,0,0]=4 1228 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 2230a_100011215765_100000183359 [1,1,0,0,0,0|2,0,0]=4 1229 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 270004a_100000693194_200011215488 [1,1,0,0,0,0|2,0,0]=4 1230 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 34a_100011215765_100000183359 [1,1,0,0,0,0|2,0,0]=4 1231 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 2230a_100011215765_100000747449 [1,1,0,0,0,0|1,0,0]=3 1232 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 34a_100011215765_100000747449 [1,1,0,0,0,0|1,0,0]=3 1233 B18R0.171 CCCCCCCCCCCCCOCC(=O)NC 34a_100000185773_100000183359 [1,1,0,0,0,0|2,0,0]=4 1234 B18R0.171 CCCCCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210684 [1,1,0,0,0,0|2,0,0]=4 1235 B18R0.171 CCCCCCCCCCCCCOCC(=O)NC 7a_100000185773_100000183359 [1,1,0,0,0,0|2,0,0]=4 1236 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 34a_100000185773_100000747449 [1,1,0,0,0,0|1,0,0]=3 1237 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 7a_100000185773_100000747449 [1,1,0,0,0,0|1,0,0]=3 1238 B18R0.171 CCCCCCCCCCCCCSCC(=O)NC 62a_100000183359_100011934334 [1,1,0,0,0,0|2,0,0]=4 1239 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 2230a_100000210451_100000737683 [1,1,0,0,0,0|2,0,0]=4 1240 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011215052 [1,1,0,0,0,0|2,0,0]=4 1241 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 270004a_100000738227_100011218549 [1,1,0,0,0,0|2,0,0]=4 1242 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 34a_100000210451_100012179268 [1,1,0,0,0,0|2,0,0]=4 1243 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 34a_100000738227_100000759014 [1,1,0,0,0,0|2,0,0]=4 1244 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 2230a_100000210451_100000204255 [1,1,0,0,0,0|1,0,0]=3 1245 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 34a_100000210451_100000742370 [1,1,0,0,0,0|1,0,0]=3 1246 B18R0.171 CCCCCCCCCCCCOCCC(=NO)N 34a_100000749954_100000759014 [1,1,0,0,0,0|2,0,0]=4 1247 B18R0.171 CCCCCCCCCCCCOCCC(=O)NC 34a_100000210810_100012179268 [1,1,0,0,0,0|2,0,0]=4 1248 B18R0.171 CCCCCCCCCCCCOCCC(=O)NC 34a_100000754576_100000759014 [1,1,0,0,0,0|2,0,0]=4 1249 B18R0.171 CCCCCCCCCCCCOCCC(=O)NC 7a_100000210810_100000737683 [1,1,0,0,0,0|2,0,0]=4 1250 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 34a_100000210810_100000742370 [1,1,0,0,0,0|1,0,0]=3 1251 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 7a_100000210810_100000204255 [1,1,0,0,0,0|1,0,0]=3 1252 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 11a_106832991635_100008107568 [1,1,0,0,0,0|2,0,0]=4 1253 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 1626a_100102657272_100008107568 [1,1,0,0,0,0|2,0,0]=4 1254 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 240690a_100102657272_100008107568 [1,1,0,0,0,0|2,0,0]=4 1255 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 62a_100000737683_100000759014 [1,1,0,0,0,0|2,0,0]=4 1256 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011215454 [1,1,0,0,0,0|2,0,0]=4 1257 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 2230a_200011215754_100000741757 [1,1,0,0,0,0|2,0,0]=4 1258 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011215454 [1,1,0,0,0,0|2,0,0]=4 1259 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 34a_200011215754_100000741757 [1,1,0,0,0,0|2,0,0]=4 1260 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 2230a_200011215754_100011218270 [1,1,0,0,0,0|1,0,0]=3 1261 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 34a_200011215754_100000742333 [1,1,0,0,0,0|1,0,0]=3 1262 B18R0.171 CCCCCCCCCCCOCCCC(=O)NC 34a_100000210809_100000741757 [1,1,0,0,0,0|2,0,0]=4 1263 B18R0.171 CCCCCCCCCCCOCCCC(=O)NC 7a_100000210809_100000741757 [1,1,0,0,0,0|2,0,0]=4 1264 B18R0.171 CCCCCCCCCCCOCCCC(=O)NN 34a_100000211488_100011215454 [1,1,0,0,0,0|2,0,0]=4 1265 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 34a_100000210809_100000742333 [1,1,0,0,0,0|1,0,0]=3 1266 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 7a_100000210809_100011218270 [1,1,0,0,0,0|1,0,0]=3 1267 B18R0.171 CCCCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011215454 [1,1,0,0,0,0|2,0,0]=4 1268 B18R0.171 CCCCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011215454 [1,1,0,0,0,0|2,0,0]=4 1269 B18R0.171 CCCCCCCCCCCSCCCC(=O)NC 62a_100000741757_100011215454 [1,1,0,0,0,0|2,0,0]=4 1270 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 2230a_100000684558_100000204269 [1,1,0,0,0,0|1,0,0]=3 1271 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 34a_100000684558_100000204269 [1,1,0,0,0,0|1,0,0]=3 1272 B18R0.171 CCCCCCCCCCNCCOCC(=O)OC 2230a_100000684558_100000090808 [1,1,0,0,0,0|2,0,0]=4 1273 B18R0.171 CCCCCCCCCCNCCOCC(=O)OC 34a_100000684558_100000090808 [1,1,0,0,0,0|2,0,0]=4 1274 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210320 [1,1,0,0,0,0|1,0,0]=3 1275 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000210711_100000204269 [1,1,0,0,0,0|1,0,0]=3 1276 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210320 [1,1,0,0,0,0|1,0,0]=3 1277 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000210711_100000204269 [1,1,0,0,0,0|1,0,0]=3 1278 B18R0.171 CCCCCCCCCCOCCOCC(=O)OC 34a_100000210711_100000090808 [1,1,0,0,0,0|2,0,0]=4 1279 B18R0.171 CCCCCCCCCCOCCOCC(=O)OC 7a_100000210711_100000090808 [1,1,0,0,0,0|2,0,0]=4 1280 B18R0.171 CCCCCCCCCCSCCOCC(=O)OC 34a_100011628728_100000747449 [1,1,0,0,0,0|2,0,0]=4 1281 B18R0.171 CCCCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210320 [1,1,0,0,0,0|2,0,0]=4 1282 B18R0.171 CCCCCCCCCCSCCOCC(=O)OC 7a_100011628728_100000747449 [1,1,0,0,0,0|2,0,0]=4 1283 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 2230a_100000212291_100009816466 [1,1,0,0,0,0|1,0,0]=3 1284 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 34a_100000212291_100009816466 [1,1,0,0,0,0|1,0,0]=3 1285 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011214924 [1,1,0,0,0,0|1,0,0]=3 1286 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000210712_100009816466 [1,1,0,0,0,0|1,0,0]=3 1287 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210328 [1,1,0,0,0,0|1,0,0]=3 1288 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000210712_100009816466 [1,1,0,0,0,0|1,0,0]=3 1289 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 2230a_100000229939_100009815986 [1,1,0,0,0,0|1,0,0]=3 1290 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 34a_100000229939_100009815986 [1,1,0,0,0,0|1,0,0]=3 1291 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100000210232_100009815986 [1,1,0,0,0,0|1,0,0]=3 1292 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210759 [1,1,0,0,0,0|1,0,0]=3 1293 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100000210232_100009815986 [1,1,0,0,0,0|1,0,0]=3 1294 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210759 [1,1,0,0,0,0|1,0,0]=3 1295 B18R0.171 CCCCCCCNCCCCCCCC(=O)OC 2230a_100000229938_100010004213 [1,1,0,0,0,0|1,0,0]=3 1296 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100000210272_100010004213 [1,1,0,0,0,0|1,0,0]=3 1297 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210614 [1,1,0,0,0,0|1,0,0]=3 1298 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100000210272_100010004213 [1,1,0,0,0,0|1,0,0]=3 1299 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210614 [1,1,0,0,0,0|1,0,0]=3 1300 B18R0.171 CCCCCCNCCCCCCCCC(=O)OC 2230a_100000210581_100010282707 [1,1,0,0,0,0|1,0,0]=3 1301 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210314 [1,1,0,0,0,0|1,0,0]=3 1302 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000210259_100010282707 [1,1,0,0,0,0|1,0,0]=3 1303 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210314 [1,1,0,0,0,0|1,0,0]=3 1304 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000210259_100010282707 [1,1,0,0,0,0|1,0,0]=3 1305 B18R0.171 CCCCCCOCCOCCCCCC(=O)OC 34a_100000691444_100009816466 [1,1,0,0,0,0|2,0,0]=4 1306 B18R0.171 CCCCCCOCCOCCCCCC(=O)OC 7a_100000691444_100009816466 [1,1,0,0,0,0|2,0,0]=4 1307 B18R0.171 CCCCCNCCCCCCCCCC(=O)OC 2230a_100000209983_100009813843 [1,1,0,0,0,0|1,0,0]=3 1308 B18R0.171 CCCCCNCCOCCCCCCC(=O)OC 34a_100000224656_100009815986 [1,1,0,0,0,0|2,0,0]=4 1309 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 34a_100000210253_100009813843 [1,1,0,0,0,0|1,0,0]=3 1310 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 7a_100000210253_100009813843 [1,1,0,0,0,0|1,0,0]=3 1311 B18R0.171 CCCCCOCCOCCCCCCC(=O)OC 34a_100011215259_100009815986 [1,1,0,0,0,0|2,0,0]=4 1312 B18R0.171 CCCCCOCCOCCCCCCC(=O)OC 7a_100011215259_100009815986 [1,1,0,0,0,0|2,0,0]=4 1313 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 2230a_100000102301_100009812566 [1,1,0,0,0,0|1,0,0]=3 1314 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 7a_106832991798_100009812566 [1,1,0,0,0,0|1,0,0]=3 1315 B18R0.171 CCCCNCCCCOCCCCCC(=O)OC 34a_200011216965_100009816466 [1,1,0,0,0,0|2,0,0]=4 1316 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100000210227_100009812566 [1,1,0,0,0,0|1,0,0]=3 1317 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210210 [1,1,0,0,0,0|1,0,0]=3 1318 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100000210227_100009812566 [1,1,0,0,0,0|1,0,0]=3 1319 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210211 [1,1,0,0,0,0|1,0,0]=3 1320 B18R0.171 CCCCOCCCCOCCCCCC(=O)OC 34a_200000760531_100009816466 [1,1,0,0,0,0|2,0,0]=4 1321 B18R0.171 CCCCOCCCCOCCCCCC(=O)OC 7a_200000760531_100009816466 [1,1,0,0,0,0|2,0,0]=4 1322 B18R0.171 CCCCOCCCNCCCCCCC(=O)OC 2230a_200000211371_100009815986 [1,1,0,0,0,0|2,0,0]=4 1323 B18R0.171 CCCCOCCCNCCCCCCC(=O)OC 34a_200000211371_100009815986 [1,1,0,0,0,0|2,0,0]=4 1324 B18R0.171 CCCCOCCCOCCCCCCC(=O)OC 34a_200011215613_100009815986 [1,1,0,0,0,0|2,0,0]=4 1325 B18R0.171 CCCCOCCCOCCCCCCC(=O)OC 7a_200011215613_100009815986 [1,1,0,0,0,0|2,0,0]=4 1326 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 34a_100000210238_100010004213 [1,1,0,0,0,0|2,0,0]=4 1327 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 34a_100011022521_100000743108 [1,1,0,0,0,0|2,0,0]=4 1328 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 7a_100000210238_100010004213 [1,1,0,0,0,0|2,0,0]=4 1329 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 7a_100011022521_100000743108 [1,1,0,0,0,0|2,0,0]=4 1330 B18R0.171 CCCCOCCSCCCCCCCC(=O)OC 62a_100000743108_100010004213 [1,1,0,0,0,0|2,0,0]=4 1331 B18R0.171 CCCCOCCSCCCCCCCC(=O)OC 62a_100010004213_100000743108 [1,1,0,0,0,0|2,0,0]=4 1332 B18R0.171 CCCCOCOCCCCCCCCC(=O)OC 34a_100000035544_100011995733 [1,1,0,0,0,0|2,0,0]=4 1333 B18R0.171 CCCCOCSCCCCCCCCC(=O)OC 62a_100010282707_100011995733 [1,1,0,0,0,0|2,0,0]=4 1334 B18R0.171 CCCCOCSCCCCCCCCC(=O)OC 62a_100011995733_100010282707 [1,1,0,0,0,0|2,0,0]=4 1335 B18R0.171 CCCCSCCNCCCCCCCC(=O)OC 2230a_100025743550_100010004213 [1,1,0,0,0,0|2,0,0]=4 1336 B18R0.171 CCCCSCCOCCCCCCCC(=O)OC 34a_200000230436_100010004213 [1,1,0,0,0,0|2,0,0]=4 1337 B18R0.171 CCCCSCCOCCCCCCCC(=O)OC 7a_200000230436_100010004213 [1,1,0,0,0,0|2,0,0]=4 1338 B18R0.171 CCCOCCCCCCCCCCCC(=O)OC 34a_100000210258_100010983606 [1,1,0,0,0,0|1,0,0]=3 1339 B18R0.171 CCCOCCCNCCCCCCCC(=O)OC 2230a_100011217757_100010004213 [1,1,0,0,0,0|2,0,0]=4 1340 B18R0.171 CCCOCCCNCCCCCCCC(=O)OC 34a_100011217757_100010004213 [1,1,0,0,0,0|2,0,0]=4 1341 B18R0.171 CCCOCCNCCCCCCCCC(=O)OC 2230a_100161115042_100010282707 [1,1,0,0,0,0|2,0,0]=4 1342 B18R0.171 CCCOCCNCCCCCCCCC(=O)OC 34a_100161115042_100010282707 [1,1,0,0,0,0|2,0,0]=4 1343 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 34a_100000035544_100011215938 [1,1,0,0,0,0|2,0,0]=4 1344 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 34a_100000752267_100010282707 [1,1,0,0,0,0|2,0,0]=4 1345 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 7a_100000035544_100011215938 [1,1,0,0,0,0|2,0,0]=4 1346 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 7a_100000752267_100010282707 [1,1,0,0,0,0|2,0,0]=4 1347 B18R0.171 CCCOCCSCCCCCCCCC(=O)OC 62a_100010282707_100011215938 [1,1,0,0,0,0|2,0,0]=4 1348 B18R0.171 CCCOCCSCCCCCCCCC(=O)OC 62a_100011215938_100010282707 [1,1,0,0,0,0|2,0,0]=4 1349 B18R0.171 CCCSCCNCCCCCCCCC(=O)OC 2230a_100020603323_100010282707 [1,1,0,0,0,0|2,0,0]=4 1350 B18R0.171 CCCSCCOCCCCCCCCC(=O)OC 34a_200000230433_100010282707 [1,1,0,0,0,0|2,0,0]=4 1351 B18R0.171 CCCSCCOCCCCCCCCC(=O)OC 7a_200000230433_100010282707 [1,1,0,0,0,0|2,0,0]=4 1352 B18R0.171 CCNCCCCCCCCCCCCC(=O)OC 2230a_100015525214_209314222159 [1,1,0,0,0,0|1,0,0]=3 1353 B18R0.171 CCOCCCCCCCCCCCCC(=O)OC 34a_100121572206_209314222159 [1,1,0,0,0,0|1,0,0]=3 1354 B18R0.171 CCOCCCCCCCCCOCCC(=O)OC 34a_100009875440_100000742370 [1,1,0,0,0,0|2,0,0]=4 1355 B18R0.171 CCOCCCCCCCCCOCCC(=O)OC 7a_100009875440_100000204255 [1,1,0,0,0,0|2,0,0]=4 1356 B18R0.171 CCOCCCNCCCCCCCCC(=O)OC 2230a_100000210961_100010282707 [1,1,0,0,0,0|2,0,0]=4 1357 B18R0.171 CCOCCCNCCCCCCCCC(=O)OC 34a_100000210961_100010282707 [1,1,0,0,0,0|2,0,0]=4 1358 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 34a_100000035544_100012232248 [1,1,0,0,0,0|2,0,0]=4 1359 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 34a_100000757476_100010282707 [1,1,0,0,0,0|2,0,0]=4 1360 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 7a_100000035544_100012232248 [1,1,0,0,0,0|2,0,0]=4 1361 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 7a_100000757476_100010282707 [1,1,0,0,0,0|2,0,0]=4 1362 B18R0.171 CCOCCCSCCCCCCCCC(=O)OC 62a_100010282707_100012232248 [1,1,0,0,0,0|2,0,0]=4 1363 B18R0.171 CCOCCCSCCCCCCCCC(=O)OC 62a_100012232248_100010282707 [1,1,0,0,0,0|2,0,0]=4 1364 B18R0.171 CCOCCNCCCCCCCCCC(=O)OC 2230a_102516460346_100009813843 [1,1,0,0,0,0|2,0,0]=4 1365 B18R0.171 CCOCCNCCCCCCCCCC(=O)OC 34a_102516460346_100009813843 [1,1,0,0,0,0|2,0,0]=4 1366 B18R0.171 CCOCCOCCCCCCCCCC(=O)OC 34a_100000210136_100009813843 [1,1,0,0,0,0|2,0,0]=4 1367 B18R0.171 CCOCCOCCCCCCCCCC(=O)OC 7a_100000210136_100009813843 [1,1,0,0,0,0|2,0,0]=4 1368 B18R0.171 CCOCCSCCCCCCCCCC(=O)OC 62a_100000210147_100009813843 [1,1,0,0,0,0|2,0,0]=4 1369 B18R0.171 CCOCSCCCCCCCCCCC(=O)OC 62a_100000739092_100009812566 [1,1,0,0,0,0|2,0,0]=4 1370 B18R0.171 CCSCCCOCCCCCCCCC(=O)OC 34a_100011216438_100010282707 [1,1,0,0,0,0|2,0,0]=4 1371 B18R0.171 CCSCCCOCCCCCCCCC(=O)OC 7a_100011216438_100010282707 [1,1,0,0,0,0|2,0,0]=4 1372 B18R0.171 CCSCCNCCCCCCCCCC(=O)OC 2230a_100000106463_100009813843 [1,1,0,0,0,0|2,0,0]=4 1373 B18R0.171 CCSCCOCCCCCCCCCC(=O)OC 34a_100000212035_100009813843 [1,1,0,0,0,0|2,0,0]=4 1374 B18R0.171 CCSCCOCCCCCCCCCC(=O)OC 7a_100000212035_100009813843 [1,1,0,0,0,0|2,0,0]=4 1375 B18R0.171 CCSCCSCCCCCCCCCC(=O)OC 62a_100000757381_100009813843 [1,1,0,0,0,0|2,0,0]=4 1376 B18R0.171 CNC(=O)CCCCCCCCCCCCCCO 240690a_100102657272_100000122395 [1,1,0,0,0,0|1,0,0]=3 1377 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 2230a_100000066964_100000741757 [1,1,0,0,0,0|2,0,0]=4 1378 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 2230a_100000740002_100009813290 [1,1,0,0,0,0|2,0,0]=4 1379 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000741757 [1,1,0,0,0,0|2,0,0]=4 1380 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 34a_100000740002_100009813290 [1,1,0,0,0,0|2,0,0]=4 1381 B18R0.171 CNC(=O)CCCSCCCCCCCCCCO 62a_100000741757_200000033068 [1,1,0,0,0,0|2,0,0]=4 1382 B18R0.171 CNC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100000741757 [1,1,0,0,0,0|2,0,0]=4 1383 B18R0.171 CNC(=O)CCNCCCCCCCCCCCO 2230a_100000738227_100009812471 [1,1,0,0,0,0|2,0,0]=4 1384 B18R0.171 CNC(=O)CCNCCCCCCCCCCCO 34a_100000738227_100009812471 [1,1,0,0,0,0|2,0,0]=4 1385 B18R0.171 CNC(=O)CCOCCCCCCCCCCCO 34a_100000754576_100009812471 [1,1,0,0,0,0|2,0,0]=4 1386 B18R0.171 CNC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000737683 [1,1,0,0,0,0|2,0,0]=4 1387 B18R0.171 CNC(=O)CNCCCCCCCCCCCCO 2230a_100000066677_100000183359 [1,1,0,0,0,0|2,0,0]=4 1388 B18R0.171 CNC(=O)CNCCCCCCCCCCCCO 2230a_100000693194_100009813331 [1,1,0,0,0,0|2,0,0]=4 1389 B18R0.171 CNC(=O)CNCCCCCCCCCCCCO 34a_100000066677_100000183359 [1,1,0,0,0,0|2,0,0]=4 1390 B18R0.171 CNC(=O)COCCCCCCCCCCCCO 34a_100000750040_100009813331 [1,1,0,0,0,0|2,0,0]=4 1391 B18R0.171 CNC(=O)CSCCCCCCCCCCCCO 62a_100009813331_100000183359 [1,1,0,0,0,0|2,0,0]=4 1392 B18R0.171 CNCCCCCOCCCCCCCC(=O)OC 34a_100000722520_100010004213 [1,1,0,0,0,0|2,0,0]=4 1393 B18R0.171 CNCCCOCCCCCCCCCC(=O)OC 34a_100000213112_100009813843 [1,1,0,0,0,0|2,0,0]=4 1394 B18R0.171 COC(=O)CCCCCCCCCCCNCCF 34a_100000724931_100010983606 [1,1,0,0,0,0|2,0,0]=4 1395 B18R0.171 COC(=O)CCCCCCCCCCCNCCO 2230a_100016997473_100010983606 [1,1,0,0,0,0|1,0,0]=3 1396 B18R0.171 COC(=O)CCCCCCCCCCCNCCO 34a_100016990907_100010983606 [1,1,0,0,0,0|1,0,0]=3 1397 B18R0.171 COC(=O)CCCCCCCCCCCOCCBr 34a_100000211926_100010983606 [1,1,0,0,0,0|2,0,0]=4 1398 B18R0.171 COC(=O)CCCCCCCCCCCOCCN 34a_100000210304_100010983606 [1,1,0,0,0,0|2,0,0]=4 1399 B18R0.171 COC(=O)CCCCCCCCCCCSCCF 62a_100011217306_100010983606 [1,1,0,0,0,0|2,0,0]=4 1400 B18R0.171 COC(=O)CCCCCCCCCCCSCCO 62a_100000211926_100010983606 [1,1,0,0,0,0|1,0,0]=3 1401 B18R0.171 COC(=O)CCCCCCCCCCNCCCF 2230a_100015189416_100009812566 [1,1,0,0,0,0|2,0,0]=4 1402 B18R0.171 COC(=O)CCCCCCCCCCNCCCF 34a_100015189416_100009812566 [1,1,0,0,0,0|2,0,0]=4 1403 B18R0.171 COC(=O)CCCCCCCCCCNCCSC 2230a_100020590264_100009812566 [1,1,0,0,0,0|2,0,0]=4 1404 B18R0.171 COC(=O)CCCCCCCCCCOCCCBr 34a_100011217188_100009812566 [1,1,0,0,0,0|2,0,0]=4 1405 B18R0.171 COC(=O)CCCCCCCCCCOCCCCl 34a_100000230001_100009812566 [1,1,0,0,0,0|2,0,0]=4 1406 B18R0.171 COC(=O)CCCCCCCCCCOCCCF 34a_100000759539_100009812566 [1,1,0,0,0,0|2,0,0]=4 1407 B18R0.171 COC(=O)CCCCCCCCCCOCCCF 34a_100011003013_100011934791 [1,1,0,0,0,0|2,0,0]=4 1408 B18R0.171 COC(=O)CCCCCCCCCCOCCCF 7a_100011003013_100011934791 [1,1,0,0,0,0|2,0,0]=4 1409 B18R0.171 COC(=O)CCCCCCCCCCOCCCN 34a_100000182051_100009812566 [1,1,0,0,0,0|2,0,0]=4 1410 B18R0.171 COC(=O)CCCCCCCCCCOCCCO 34a_100011003013_100000230001 [1,1,0,0,0,0|1,0,0]=3 1411 B18R0.171 COC(=O)CCCCCCCCCCOCCCO 7a_100011003013_100011215043 [1,1,0,0,0,0|1,0,0]=3 1412 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 34a_100000230434_100009812566 [1,1,0,0,0,0|2,0,0]=4 1413 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 34a_100011003013_100000212216 [1,1,0,0,0,0|2,0,0]=4 1414 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 7a_100000230434_100009812566 [1,1,0,0,0,0|2,0,0]=4 1415 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 7a_100011003013_100000212216 [1,1,0,0,0,0|2,0,0]=4 1416 B18R0.171 COC(=O)CCCCCCCCCCSCCCF 62a_100011934791_100009812566 [1,1,0,0,0,0|2,0,0]=4 1417 B18R0.171 COC(=O)CCCCCCCCCCSCCCO 62a_100011215043_100009812566 [1,1,0,0,0,0|1,0,0]=3 1418 B18R0.171 COC(=O)CCCCCCCCCCSCCSC 62a_100000212216_100009812566 [1,1,0,0,0,0|2,0,0]=4 1419 B18R0.171 COC(=O)CCCCCCCCCNCCCCO 2230a_100000750430_100009813843 [1,1,0,0,0,0|1,0,0]=3 1420 B18R0.171 COC(=O)CCCCCCCCCNCCCCO 34a_100000750430_100009813843 [1,1,0,0,0,0|1,0,0]=3 1421 B18R0.171 COC(=O)CCCCCCCCCNCCCSC 2230a_100000749238_100009813843 [1,1,0,0,0,0|2,0,0]=4 1422 B18R0.171 COC(=O)CCCCCCCCCOCCCCBr 34a_100011216708_100009813843 [1,1,0,0,0,0|2,0,0]=4 1423 B18R0.171 COC(=O)CCCCCCCCCOCCCCCl 34a_100000210776_100009813843 [1,1,0,0,0,0|2,0,0]=4 1424 B18R0.171 COC(=O)CCCCCCCCCOCCCCCl 7a_100000210776_100009813843 [1,1,0,0,0,0|2,0,0]=4 1425 B18R0.171 COC(=O)CCCCCCCCCOCCCCF 34a_100011995726_100009813843 [1,1,0,0,0,0|2,0,0]=4 1426 B18R0.171 COC(=O)CCCCCCCCCOCCCCF 7a_100011995726_100009813843 [1,1,0,0,0,0|2,0,0]=4 1427 B18R0.171 COC(=O)CCCCCCCCCOCCCCI 34a_200012148704_100009813843 [1,1,0,0,0,0|2,0,0]=4 1428 B18R0.171 COC(=O)CCCCCCCCCOCCCCN 34a_100000750430_100009813843 [1,1,0,0,0,0|2,0,0]=4 1429 B18R0.171 COC(=O)CCCCCCCCCOCCCSC 34a_100000690336_100009813843 [1,1,0,0,0,0|2,0,0]=4 1430 B18R0.171 COC(=O)CCCCCCCCCOCCCSC 7a_100000690336_100009813843 [1,1,0,0,0,0|2,0,0]=4 1431 B18R0.171 COC(=O)CCCCCCCCCSCCCCF 62a_100000729493_100009813843 [1,1,0,0,0,0|2,0,0]=4 1432 B18R0.171 COC(=O)CCCCCCCCCSCCCCO 62a_100000210776_100009813843 [1,1,0,0,0,0|1,0,0]=3 1433 B18R0.171 COC(=O)CCCCCCCCNCCCCCO 2230a_100000762737_100010282707 [1,1,0,0,0,0|1,0,0]=3 1434 B18R0.171 COC(=O)CCCCCCCCNCCCCCO 34a_100000762737_100010282707 [1,1,0,0,0,0|1,0,0]=3 1435 B18R0.171 COC(=O)CCCCCCCCNCCOCCO 2230a_100000211614_100010282707 [1,1,0,0,0,0|2,0,0]=4 1436 B18R0.171 COC(=O)CCCCCCCCNCCOCCO 34a_100000211614_100010282707 [1,1,0,0,0,0|2,0,0]=4 1437 B18R0.171 COC(=O)CCCCCCCCNCCSCCO 2230a_100011219999_100010282707 [1,1,0,0,0,0|2,0,0]=4 1438 B18R0.171 COC(=O)CCCCCCCCOCCCCCBr 34a_100000746331_100010282707 [1,1,0,0,0,0|2,0,0]=4 1439 B18R0.171 COC(=O)CCCCCCCCOCCCCCBr 7a_100000746331_100010282707 [1,1,0,0,0,0|2,0,0]=4 1440 B18R0.171 COC(=O)CCCCCCCCOCCCCCCl 34a_100000746330_100010282707 [1,1,0,0,0,0|2,0,0]=4 1441 B18R0.171 COC(=O)CCCCCCCCOCCCCCCl 7a_100000746330_100010282707 [1,1,0,0,0,0|2,0,0]=4 1442 B18R0.171 COC(=O)CCCCCCCCOCCCCCF 34a_100000035544_100000729378 [1,1,0,0,0,0|2,0,0]=4 1443 B18R0.171 COC(=O)CCCCCCCCOCCCCCF 7a_100000035544_100000729378 [1,1,0,0,0,0|2,0,0]=4 1444 B18R0.171 COC(=O)CCCCCCCCOCCCCCI 34a_200012148887_100010282707 [1,1,0,0,0,0|2,0,0]=4 1445 B18R0.171 COC(=O)CCCCCCCCOCCCCCI 7a_200012148887_100010282707 [1,1,0,0,0,0|2,0,0]=4 1446 B18R0.171 COC(=O)CCCCCCCCOCCCCCN 34a_100000762737_100010282707 [1,1,0,0,0,0|2,0,0]=4 1447 B18R0.171 COC(=O)CCCCCCCCOCCCCCO 34a_100000035544_100000746330 [1,1,0,0,0,0|1,0,0]=3 1448 B18R0.171 COC(=O)CCCCCCCCOCCCCCO 7a_100000035544_100000746330 [1,1,0,0,0,0|1,0,0]=3 1449 B18R0.171 COC(=O)CCCCCCCCOCCCCSC 34a_100011217163_100010282707 [1,1,0,0,0,0|2,0,0]=4 1450 B18R0.171 COC(=O)CCCCCCCCOCCCCSC 7a_100011217163_100010282707 [1,1,0,0,0,0|2,0,0]=4 1451 B18R0.171 COC(=O)CCCCCCCCOCCOCCO 34a_100000035544_100000692535 [1,1,0,0,0,0|2,0,0]=4 1452 B18R0.171 COC(=O)CCCCCCCCOCCOCCO 7a_100000035544_100011215305 [1,1,0,0,0,0|2,0,0]=4 1453 B18R0.171 COC(=O)CCCCCCCCSCCCCCF 62a_100000729378_100010282707 [1,1,0,0,0,0|2,0,0]=4 1454 B18R0.171 COC(=O)CCCCCCCCSCCCCCF 62a_100010282707_100000729378 [1,1,0,0,0,0|2,0,0]=4 1455 B18R0.171 COC(=O)CCCCCCCCSCCCCCO 62a_100000746330_100010282707 [1,1,0,0,0,0|1,0,0]=3 1456 B18R0.171 COC(=O)CCCCCCCCSCCCCCO 62a_100010282707_100000746330 [1,1,0,0,0,0|1,0,0]=3 1457 B18R0.171 COC(=O)CCCCCCCCSCCOCCO 62a_100010282707_100011215305 [1,1,0,0,0,0|2,0,0]=4 1458 B18R0.171 COC(=O)CCCCCCCCSCCOCCO 62a_100011215305_100010282707 [1,1,0,0,0,0|2,0,0]=4 1459 B18R0.171 COC(=O)CCCCCCCNCCCCCCO 2230a_100000686447_100010004213 [1,1,0,0,0,0|1,0,0]=3 1460 B18R0.171 COC(=O)CCCCCCCNCCCCCCO 34a_100000686447_100010004213 [1,1,0,0,0,0|1,0,0]=3 1461 B18R0.171 COC(=O)CCCCCCCOCCCCCCBr 34a_100011215345_100010004213 [1,1,0,0,0,0|2,0,0]=4 1462 B18R0.171 COC(=O)CCCCCCCOCCCCCCBr 7a_100011215345_100010004213 [1,1,0,0,0,0|2,0,0]=4 1463 B18R0.171 COC(=O)CCCCCCCOCCCCCCCl 34a_100000766143_100010004213 [1,1,0,0,0,0|2,0,0]=4 1464 B18R0.171 COC(=O)CCCCCCCOCCCCCCCl 7a_100000766143_100010004213 [1,1,0,0,0,0|2,0,0]=4 1465 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 34a_100000732779_100010004213 [1,1,0,0,0,0|2,0,0]=4 1466 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 34a_100011022521_100015922095 [1,1,0,0,0,0|2,0,0]=4 1467 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 7a_100000732779_100010004213 [1,1,0,0,0,0|2,0,0]=4 1468 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 7a_100011022521_100015922095 [1,1,0,0,0,0|2,0,0]=4 1469 B18R0.171 COC(=O)CCCCCCCOCCCCCCN 34a_100000686447_100010004213 [1,1,0,0,0,0|2,0,0]=4 1470 B18R0.171 COC(=O)CCCCCCCOCCCCCCO 34a_100011022521_100000766143 [1,1,0,0,0,0|1,0,0]=3 1471 B18R0.171 COC(=O)CCCCCCCOCCCCCCO 7a_100011022521_100000766143 [1,1,0,0,0,0|1,0,0]=3 1472 B18R0.171 COC(=O)CCCCCCCSCCCCCCF 62a_100010004213_100015922095 [1,1,0,0,0,0|2,0,0]=4 1473 B18R0.171 COC(=O)CCCCCCCSCCCCCCF 62a_100015922095_100010004213 [1,1,0,0,0,0|2,0,0]=4 1474 B18R0.171 COC(=O)CCCCCCCSCCCCCCO 62a_100000766143_100010004213 [1,1,0,0,0,0|1,0,0]=3 1475 B18R0.171 COC(=O)CCCCCCCSCCCCCCO 62a_100010004213_100000766143 [1,1,0,0,0,0|1,0,0]=3 1476 B18R0.171 COC(=O)CCCCCCNCCCCCCCO 2230a_100011996573_100009815986 [1,1,0,0,0,0|1,0,0]=3 1477 B18R0.171 COC(=O)CCCCCCNCCCCCCCO 34a_100011996573_100009815986 [1,1,0,0,0,0|1,0,0]=3 1478 B18R0.171 COC(=O)CCCCCCNCCCOCCCO 2230a_100011310245_100009815986 [1,1,0,0,0,0|2,0,0]=4 1479 B18R0.171 COC(=O)CCCCCCNCCCOCCCO 34a_100011310245_100009815986 [1,1,0,0,0,0|2,0,0]=4 1480 B18R0.171 COC(=O)CCCCCCOCCCCCCCBr 34a_100000760002_100009815986 [1,1,0,0,0,0|2,0,0]=4 1481 B18R0.171 COC(=O)CCCCCCOCCCCCCCBr 7a_100000760002_100009815986 [1,1,0,0,0,0|2,0,0]=4 1482 B18R0.171 COC(=O)CCCCCCOCCCCCCCN 34a_100011996573_100009815986 [1,1,0,0,0,0|2,0,0]=4 1483 B18R0.171 COC(=O)CCCCCCOCCCCCCCO 34a_100009863599_100000760002 [1,1,0,0,0,0|1,0,0]=3 1484 B18R0.171 COC(=O)CCCCCCOCCCCCCCO 7a_100009863599_100000760002 [1,1,0,0,0,0|1,0,0]=3 1485 B18R0.171 COC(=O)CCCCCCSCCCCCCCO 62a_100000760002_100009815986 [1,1,0,0,0,0|1,0,0]=3 1486 B18R0.171 COC(=O)CCCCCCSCCCCCCCO 62a_100009815986_100000760002 [1,1,0,0,0,0|1,0,0]=3 1487 B18R0.171 COC(=O)CCCCCNCCCCCCCCO 2230a_102515433106_100009816466 [1,1,0,0,0,0|1,0,0]=3 1488 B18R0.171 COC(=O)CCCCCNCCCCCCCCO 34a_102515433106_100009816466 [1,1,0,0,0,0|1,0,0]=3 1489 B18R0.171 COC(=O)CCCCCOCCCCCCCCBr 34a_100009813846_100009816466 [1,1,0,0,0,0|2,0,0]=4 1490 B18R0.171 COC(=O)CCCCCOCCCCCCCCBr 7a_100009813846_100009816466 [1,1,0,0,0,0|2,0,0]=4 1491 B18R0.171 COC(=O)CCCCCOCCCCCCCCCl 34a_100000033203_100009816466 [1,1,0,0,0,0|2,0,0]=4 1492 B18R0.171 COC(=O)CCCCCOCCCCCCCCCl 7a_100000033203_100009816466 [1,1,0,0,0,0|2,0,0]=4 1493 B18R0.171 COC(=O)CCCCCOCCCCCCCCN 34a_102515433106_100009816466 [1,1,0,0,0,0|2,0,0]=4 1494 B18R0.171 COC(=O)CCCCCOCCCCCCCCO 34a_100000074720_100000033203 [1,1,0,0,0,0|1,0,0]=3 1495 B18R0.171 COC(=O)CCCCCOCCCCCCCCO 7a_100000074720_100000033203 [1,1,0,0,0,0|1,0,0]=3 1496 B18R0.171 COC(=O)CCCCCSCCCCCCCCO 62a_100000033203_100009816466 [1,1,0,0,0,0|1,0,0]=3 1497 B18R0.171 COC(=O)CCCCCSCCCCCCCCO 62a_100009816466_100000033203 [1,1,0,0,0,0|1,0,0]=3 1498 B18R0.171 COC(=O)CCCCNCCCCCCCCCO 2230a_100000078944_100000204269 [1,1,0,0,0,0|1,0,0]=3 1499 B18R0.171 COC(=O)CCCCNCCCCCCCCCO 34a_100000078944_100000204269 [1,1,0,0,0,0|1,0,0]=3 1500 B18R0.171 COC(=O)CCCCOCCCCCCCCCBr 34a_100009813782_100000204269 [1,1,0,0,0,0|2,0,0]=4 1501 B18R0.171 COC(=O)CCCCOCCCCCCCCCBr 7a_100009813782_100000204269 [1,1,0,0,0,0|2,0,0]=4 1502 B18R0.171 COC(=O)CCCCOCCCCCCCCCCl 34a_100009868337_100000204269 [1,1,0,0,0,0|2,0,0]=4 1503 B18R0.171 COC(=O)CCCCOCCCCCCCCCCl 7a_100009868337_100000204269 [1,1,0,0,0,0|2,0,0]=4 1504 B18R0.171 COC(=O)CCCCOCCCCCCCCCN 34a_100000078944_100000204269 [1,1,0,0,0,0|2,0,0]=4 1505 B18R0.171 COC(=O)CCCCOCCCCCCCCCO 34a_100000059025_100009813782 [1,1,0,0,0,0|1,0,0]=3 1506 B18R0.171 COC(=O)CCCCOCCCCCCCCCO 7a_100000059025_100009813782 [1,1,0,0,0,0|1,0,0]=3 1507 B18R0.171 COC(=O)CCCCSCCCCCCCCCO 62a_100000204269_100009813782 [1,1,0,0,0,0|1,0,0]=3 1508 B18R0.171 COC(=O)CCCCSCCCCCCCCCO 62a_100009813782_100000204269 [1,1,0,0,0,0|1,0,0]=3 1509 B18R0.171 COC(=O)CCCNCCCCCCCCCCO 2230a_100000066964_100011218270 [1,1,0,0,0,0|1,0,0]=3 1510 B18R0.171 COC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000742333 [1,1,0,0,0,0|1,0,0]=3 1511 B18R0.171 COC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000742333 [1,1,0,0,0,0|2,0,0]=4 1512 B18R0.171 COC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100011218270 [1,1,0,0,0,0|2,0,0]=4 1513 B18R0.171 COC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000742333 [1,1,0,0,0,0|2,0,0]=4 1514 B18R0.171 COC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100011218270 [1,1,0,0,0,0|2,0,0]=4 1515 B18R0.171 COC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000742333 [1,1,0,0,0,0|2,0,0]=4 1516 B18R0.171 COC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100011218270 [1,1,0,0,0,0|1,0,0]=3 1517 B18R0.171 COC(=O)CCCSCCCCCCCCCCO 62a_100011218270_200000033068 [1,1,0,0,0,0|1,0,0]=3 1518 B18R0.171 COC(=O)CCOCCCCCCCCCCCBr 34a_100009812471_100000742370 [1,1,0,0,0,0|2,0,0]=4 1519 B18R0.171 COC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000204255 [1,1,0,0,0,0|2,0,0]=4 1520 B18R0.171 COC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000204255 [1,1,0,0,0,0|1,0,0]=3 1521 B18R0.171 COC(=O)CNCCCCCCCCCCCCO 2230a_100000066677_100000747449 [1,1,0,0,0,0|1,0,0]=3 1522 B18R0.171 COC(=O)CNCCCCCCCCCCCCO 34a_100000066677_100000747449 [1,1,0,0,0,0|1,0,0]=3 1523 B18R0.171 COC(=O)COCCCCCCCCCCCCBr 34a_100009813331_100000747449 [1,1,0,0,0,0|2,0,0]=4 1524 B18R0.171 COC(=O)COCCCCCCCCCCCCBr 7a_100009813331_100000747449 [1,1,0,0,0,0|2,0,0]=4 1525 B18R0.171 COC(=O)COCCCCCCCCCCCCN 34a_100000066677_100000747449 [1,1,0,0,0,0|2,0,0]=4 1526 B18R0.171 COC(=O)COCCNCCCCCCCCCO 2230a_100000078944_100000090808 [1,1,0,0,0,0|2,0,0]=4 1527 B18R0.171 COC(=O)COCCNCCCCCCCCCO 34a_100000078944_100000090808 [1,1,0,0,0,0|2,0,0]=4 1528 B18R0.171 COC(=O)COCCSCCCCCCCCCO 62a_100000090808_100009813782 [1,1,0,0,0,0|2,0,0]=4 1529 B18R0.171 COC(=O)COCCSCCCCCCCCCO 62a_100009813782_100000090808 [1,1,0,0,0,0|2,0,0]=4 1530 B18R0.171 COC(=O)CSCCCCCCCCCCCCO 62a_100009813331_100000747449 [1,1,0,0,0,0|1,0,0]=3 1531 B18R0.171 COC(=O)CSCCCCCCOCCCCCO 62a_100000747449_200132310570 [1,1,0,0,0,0|2,0,0]=4 1532 B18R0.171 COC(=O)CSCCCCCCOCCCCCO 62a_200132310570_100000747449 [1,1,0,0,0,0|2,0,0]=4 1533 B18R0.171 COC(=O)NCCOCCCCCCCCCCO 34a_100000757965_100009813290 [1,1,0,0,0,0|2,0,0]=4 1534 B18R0.171 COC(=O)OCCOCCCCCCCCCCO 34a_100010262106_100009813290 [1,1,0,0,0,0|2,0,0]=4 1535 B18R0.171 COC(=O)OCSCCCCCCCCCCCO 62a_100009812471_100000139417 [1,1,0,0,0,0|2,0,0]=4 1536 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100011998445 [1,1,0,0,0,0|2,0,0]=4 1537 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 34a_200012092642_100009815986 [1,1,0,0,0,0|2,0,0]=4 1538 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100011998445 [1,1,0,0,0,0|2,0,0]=4 1539 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 7a_200012092642_100009815986 [1,1,0,0,0,0|2,0,0]=4 1540 B18R0.171 COCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100011998445 [1,1,0,0,0,0|2,0,0]=4 1541 B18R0.171 COCCCCCCSCCCCCCC(=O)OC 62a_100011998445_100009815986 [1,1,0,0,0,0|2,0,0]=4 1542 B18R0.171 COCCCCCNCCCCCCCC(=O)OC 2230a_100000747528_100010004213 [1,1,0,0,0,0|2,0,0]=4 1543 B18R0.171 COCCCCCNCCCCCCCC(=O)OC 34a_100000747528_100010004213 [1,1,0,0,0,0|2,0,0]=4 1544 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000755781 [1,1,0,0,0,0|2,0,0]=4 1545 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 34a_100000740925_100010282707 [1,1,0,0,0,0|2,0,0]=4 1546 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000730899 [1,1,0,0,0,0|2,0,0]=4 1547 B18R0.171 COCCCCSCCCCCCCCC(=O)OC 62a_100000730899_100010282707 [1,1,0,0,0,0|2,0,0]=4 1548 B18R0.171 COCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000730899 [1,1,0,0,0,0|2,0,0]=4 1549 B18R0.171 COCCCNCCCCCCCCCC(=O)OC 34a_100150723488_100009813843 [1,1,0,0,0,0|2,0,0]=4 1550 B18R0.171 COCCCOCCCCCCCCCC(=O)OC 34a_100000740835_100009813843 [1,1,0,0,0,0|2,0,0]=4 1551 B18R0.171 COCCCSCCCCCCCCCC(=O)OC 62a_100000709357_100009813843 [1,1,0,0,0,0|2,0,0]=4 1552 B18R0.171 COCCNCCCCCCCCCCC(=O)OC 2230a_100000209980_100009812566 [1,1,0,0,0,0|2,0,0]=4 1553 B18R0.171 COCCOCCCCCCCCCCC(=O)OC 34a_100000210237_100009812566 [1,1,0,0,0,0|2,0,0]=4 1554 B18R0.171 COCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100011201679 [1,1,0,0,0,0|2,0,0]=4 1555 B18R0.171 COCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000233755 [1,1,0,0,0,0|2,0,0]=4 1556 B18R0.171 COCCSCCCCCCCCCCC(=O)OC 62a_100000233755_100009812566 [1,1,0,0,0,0|2,0,0]=4 1557 B18R0.171 COCSCCCCCCCCCCCC(=O)OC 62a_100000766300_100010983606 [1,1,0,0,0,0|2,0,0]=4 1558 B18R0.171 NC(=NO)CCOCCCCCCCCCCCO 34a_100000749954_100009812471 [1,1,0,0,0,0|2,0,0]=4 1559 B18R0.171 NNC(=O)CCCOCCCCCCCCCCO 34a_100000211488_100009813290 [1,1,0,0,0,0|2,0,0]=4 1560 B18R0.174 CC(=O)C(C)COCCCCCCCCCCCO 34a_100000032740_100009812471 [1,1,0,0,0,0|2,0,0]=4 1561 B18R0.174 CC(=O)C(C)COCCCCCCCCCCCO 7a_100000032740_100009812471 [1,1,0,0,0,0|2,0,0]=4 1562 B18R0.174 CC(=O)C(C)NCCCCCCCCCCCCO 2230a_100000066677_100009814033 [1,1,0,0,0,0|2,0,0]=4 1563 B18R0.174 CC(=O)C(C)OCCCCCCCCCCCCO 34a_100000212229_100009813331 [1,1,0,0,0,0|2,0,0]=4 1564 B18R0.174 CC(=O)C(C)SCCCCCCCCCCCCO 62a_100009813331_100009814033 [1,1,0,0,0,0|2,0,0]=4 1565 B18R0.174 CC(CNCCCCCCCCCCCO)C(=O)O 269956a_100000749485_100009812471 [1,1,0,0,0,0|1,0,0]=3 1566 B18R0.174 CC(NCCCCCCCCCCCCO)C(=O)N 2230a_100000066677_100000702099 [1,1,0,0,0,0|2,0,0]=4 1567 B18R0.174 CC(NCCCCCCCCCCCCO)C(=O)N 34a_100000066677_100000702099 [1,1,0,0,0,0|2,0,0]=4 1568 B18R0.174 CC(SCCCCCCCCCCCCO)C(=O)N 62a_100009813331_100000702099 [1,1,0,0,0,0|2,0,0]=4 1569 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)C 2230a_100011215765_100009814033 [1,1,0,0,0,0|2,0,0]=4 1570 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)N 2230a_100011215765_100000702099 [1,1,0,0,0,0|2,0,0]=4 1571 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)N 34a_100011215765_100000702099 [1,1,0,0,0,0|2,0,0]=4 1572 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)N 2230a_100011215765_100009813875 [1,1,0,0,0,0|2,0,0]=4 1573 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)N 34a_100011215765_100009813875 [1,1,0,0,0,0|2,0,0]=4 1574 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)[O-] 34a_100011215765_100020610796 [1,1,0,0,0,0|1,0,1]=4 1575 B18R0.174 CCCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210684 [1,1,0,0,0,0|1,0,0]=3 1576 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210684 [1,1,0,0,0,0|2,0,0]=4 1577 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 270004a_100000119354_200011215488 [1,1,0,0,0,0|2,0,0]=4 1578 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210684 [1,1,0,0,0,0|2,0,0]=4 1579 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)N 34a_100000185773_100000702099 [1,1,0,0,0,0|2,0,0]=4 1580 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)N 7a_100000185773_100000702099 [1,1,0,0,0,0|2,0,0]=4 1581 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)N 34a_100000185773_100009813875 [1,1,0,0,0,0|2,0,0]=4 1582 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)N 7a_100000185773_100009813875 [1,1,0,0,0,0|2,0,0]=4 1583 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000185773_100020610796 [1,1,0,0,0,0|1,0,1]=4 1584 B18R0.174 CCCCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210684 [1,1,0,0,0,0|1,0,1]=4 1585 B18R0.174 CCCCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210684 [1,1,0,0,0,0|2,0,0]=4 1586 B18R0.174 CCCCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210684 [1,1,0,0,0,0|2,0,0]=4 1587 B18R0.174 CCCCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100011934334 [1,1,0,0,0,0|2,0,0]=4 1588 B18R0.174 CCCCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100011934334 [1,1,0,0,0,0|2,0,0]=4 1589 B18R0.174 CCCCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011934334 [1,1,0,0,0,0|1,0,1]=4 1590 B18R0.174 CCCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000759014 [1,1,0,0,0,0|1,0,0]=3 1591 B18R0.174 CCCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000759014 [1,1,0,0,0,0|1,0,0]=3 1592 B18R0.174 CCCCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000759014 [1,1,0,0,0,0|2,0,0]=4 1593 B18R0.174 C[C@@H](NCCCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813331 [1,1,0,0,0,0|2,0,0]=4 1594 B18R0.174 C[C@@H](NCCCCCCCCCCCCO)C(=O)N 34a_100000119354_100009813331 [1,1,0,0,0,0|2,0,0]=4 1595 B18R0.174 C[C@@H](OCCCCCCCCCCCCO)C(=O)N 34a_100000731257_100009813331 [1,1,0,0,0,0|2,0,0]=4 1596 B18R0.174 C[C@@H](OCCCCCCCCCCCCO)C(=O)N 7a_100000731257_100009813331 [1,1,0,0,0,0|2,0,0]=4 1597 B18R0.174 C[C@H](NCCCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813331 [1,1,0,0,0,0|1,0,0]=3 1598 B18R0.174 C[C@H](NCCCCCCOCCCCCO)C(=O)O 269956a_100000743915_200132310570 [1,1,0,0,0,0|2,0,0]=4 1599 B18R0.174 C[C@H](OCCCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813331 [1,1,0,0,0,0|1,0,1]=4 1600 B18R0.174 NC(=O)C(F)NCCCCCCCCCCCCO 2230a_100000066677_100009813875 [1,1,0,0,0,0|2,0,0]=4 1601 B18R0.174 NC(=O)C(F)NCCCCCCCCCCCCO 34a_100000066677_100009813875 [1,1,0,0,0,0|2,0,0]=4 1602 B18R0.174 NC(=O)C(F)SCCCCCCCCCCCCO 62a_100009813331_100009813875 [1,1,0,0,0,0|2,0,0]=4 1603 B18R0.174 NC(=O)[C@@H](N)COCCCCCCCCCCCO 34a_100000729942_100009812471 [1,1,0,0,0,0|2,0,0]=4 1604 B18R0.174 O=C(O)C(F)CNCCCCCCCCCCCO 269956a_100000084737_100009812471 [1,1,0,0,0,0|1,0,0]=3 1605 B18R0.174 O=C([O-])C(F)NCCCCCCCCCCCCO 34a_100000066677_100020610796 [1,1,0,0,0,0|1,0,1]=4 1606 B18R0.174 O=C([O-])C(F)SCCCCCCCCCCCCO 62a_100009813331_100020610796 [1,1,0,0,0,0|1,0,1]=4 1607 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)N 1458a_100000756256_100000187820 [1,1,0,0,0,0|1,0,1]=4 1608 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210684 [1,1,0,0,0,0|1,0,1]=4 1609 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000756256_100020667443 [1,1,0,0,0,0|0,0,2]=4 1610 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210684 [1,1,0,0,0,0|2,0,0]=4 1611 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)N 270004a_100000739694_200011215488 [1,1,0,0,0,0|2,0,0]=4 1612 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210684 [1,1,0,0,0,0|1,0,0]=3 1613 B18R0.220 CCCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215454 [1,1,0,0,0,0|1,0,0]=3 1614 B18R0.220 CN(CCCCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813331 [1,1,0,0,0,0|2,0,0]=4 1615 B18R0.220 CN(CCCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813331 [1,1,0,0,0,0|1,0,0]=3 1616 B18R0.220 CN(CCCCCCOCCCCCO)CC(=O)O 269956a_100000746989_200132310570 [1,1,0,0,0,0|2,0,0]=4 1617 B18R0.220 NC(=O)CC(=O)CCCCCCCCCCCCO 1458a_100134613110_100009813331 [1,1,0,0,0,0|1,0,1]=4 1618 B18R0.220 O=C(O)CC(O)CNCCCCCCCCCCO 269956a_100011218706_100009813290 [1,1,0,0,0,0|1,0,0]=3 1619 B18R0.233 CC(CCCC(=O)[O-])OCCCCCCCCCO 7a_100000761597_100009813782 [1,1,0,0,0,0|1,0,1]=4 1620 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210736_100102525003 [1,1,0,0,0,0|1,0,1]=4 1621 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)N 34a_100011217895_100000731001 [1,1,0,0,0,0|2,0,0]=4 1622 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)N 7a_100011217895_100000744528 [1,1,0,0,0,0|2,0,0]=4 1623 B18R0.233 CCCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215454 [1,1,0,0,0,0|1,0,0]=3 1624 B18R0.233 CCCCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210320 [1,1,0,0,0,0|1,0,1]=4 1625 B18R0.233 CN(CCCCCCCCCCO)CCCC(=O)O 269956a_100000719178_100009813290 [1,1,0,0,0,0|1,0,0]=3 1626 B18R0.974 CC(Br)CCOCCCCCCCCCCC(=O)N 34a_100009893172_200010167045 [1,1,0,0,0,0|2,0,0]=4 1627 B18R0.974 CC(C)CCCCCCCOCCCCCC(=O)N 34a_200000210741_100009817443 [1,1,0,0,0,0|2,0,0]=4 1628 B18R0.974 CC(C)CCCCCCCOCCCCCC(=O)N 7a_200000210741_100009817443 [1,1,0,0,0,0|2,0,0]=4 1629 B18R0.974 CC(C)CCOCCCCCCCCCCC(=O)N 34a_100000210254_200010167045 [1,1,0,0,0,0|2,0,0]=4 1630 B18R0.974 CC(C)CCOCCCCCCCCCCC(=O)N 7a_100000210254_200010167045 [1,1,0,0,0,0|2,0,0]=4 1631 B18R0.974 CC(C)CCSCCCCCCCCCCC(=O)N 62a_100000210312_200010167045 [1,1,0,0,0,0|2,0,0]=4 1632 B18R0.974 CC(C)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210312 [1,1,0,0,0,0|2,0,0]=4 1633 B18R0.974 CC(O)CCNCCCCCCCCCCC(=O)N 2230a_200000755665_200010167045 [1,1,0,0,0,0|2,0,0]=4 1634 B18R0.974 CC(O)CCSCCCCCCCCCCC(=O)N 62a_100012276601_200010167045 [1,1,0,0,0,0|2,0,0]=4 1635 B18R0.974 CC(O)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100012276601 [1,1,0,0,0,0|2,0,0]=4 1636 B18R0.974 C[C@@H](N)CCOCCCCCCCCCCC(=O)N 34a_100000706166_200010167045 [1,1,0,0,0,0|2,0,0]=4 1637 B18R0.11628 CCCCCCCCCC(=O)CCCCCC(=O)N 1458a_100000210558_100009817443 [1,1,0,0,0,0|1,0,1]=4 1638 B18R0.11628 CCCCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100011215753 [1,1,0,0,0,0|2,0,0]=4 1639 B18R0.11628 CCCCCCCCCN(C)CCCCCC(=O)N 2230a_100000232482_100009817443 [1,1,0,0,0,0|2,0,0]=4 1640 B18R0.11628 CCCCCCCCCN(C)CCCCCC(=O)N 269982a_100000232482_100009817443 [1,1,0,0,0,0|2,0,0]=4 1641 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)N 34a_100011215000_100102525003 [1,1,0,0,0,0|2,0,0]=4 1642 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)N 7a_100011215000_100102525003 [1,1,0,0,0,0|2,0,0]=4 1643 B18R0.17430 CCCCCCCCCCN(C)CCCCC(=O)C 269982a_100000207566_100000735457 [1,1,0,0,0,0|2,0,0]=4 1644 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000759014 [1,1,0,0,0,0|1,0,1]=4 1645 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011217028 [1,1,0,0,0,0|2,0,0]=4 1646 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011217028 [1,1,0,0,0,0|1,0,0]=3 1647 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 34a_200011215752_100000187820 [1,1,0,0,0,0|2,0,0]=4 1648 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 7a_200011215752_100000187820 [1,1,0,0,0,0|2,0,0]=4 1649 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)[O-] 34a_200011215752_100020667443 [1,1,0,0,0,0|1,0,1]=4 1650 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_100000747473_200011217028 [1,1,0,0,0,0|2,0,0]=4 1651 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_200011217028_100000747473 [1,1,0,0,0,0|2,0,0]=4 1652 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011217028 [1,1,0,0,0,0|1,0,1]=4 1653 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_200011217028_100020667443 [1,1,0,0,0,0|1,0,1]=4 1654 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)C 269982a_100000227908_100000053229 [1,1,0,0,0,0|2,0,0]=4 1655 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 2230a_100000227908_100000744528 [1,1,0,0,0,0|2,0,0]=4 1656 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011215052 [1,1,0,0,0,0|2,0,0]=4 1657 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 269982a_100000227908_100000744528 [1,1,0,0,0,0|2,0,0]=4 1658 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 270004a_100000730477_100011218549 [1,1,0,0,0,0|2,0,0]=4 1659 B18R0.19183 CN(CCCCCCCCCCCO)CCC(=O)N 2230a_100000730477_100009812471 [1,1,0,0,0,0|2,0,0]=4 1660 B18R0.19183 NC(=O)CCC(=O)CCCCCCCCCCCO 1458a_100011215257_100009812471 [1,1,0,0,0,0|1,0,1]=4 1661 B18R0.19354 CC(CCO)SCCCCCCCCCCC(=O)N 62a_100009893172_200010167045 [1,1,0,0,0,0|2,0,0]=4 1662 B18R0.19354 CC(CCO)SCCCCCCCCCCC(=O)N 62a_200010167045_100009893172 [1,1,0,0,0,0|2,0,0]=4 1663 B18R0.19354 CCCC(C)NCCCCCCCCCCC(=O)N 2230a_100000741246_200010167045 [1,1,0,0,0,0|2,0,0]=4 1664 B18R0.19354 CCCC(C)OCCCCCCCCCCC(=O)N 34a_100000764384_200010167045 [1,1,0,0,0,0|2,0,0]=4 1665 B18R0.19354 CCCC(C)OCCCCCCCCCCC(=O)N 7a_100000764384_200010167045 [1,1,0,0,0,0|2,0,0]=4 1666 B18R0.19354 CCCC(C)SCCCCCCCCCCC(=O)N 62a_100000766640_200010167045 [1,1,0,0,0,0|2,0,0]=4 1667 B18R0.19354 CCCC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000766640 [1,1,0,0,0,0|2,0,0]=4 1668 B18R0.19354 C[C@H](CCO)NCCCCCCCCCCC(=O)N 2230a_100000706166_200010167045 [1,1,0,0,0,0|2,0,0]=4 1669 B18R0.19354 C[C@H](CCO)NCCCCCCCCCCC(=O)N 34a_100000706166_200010167045 [1,1,0,0,0,0|2,0,0]=4 1670 B18R1.372 CCCCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000189428 [1,0,0,1,0,0|2,0,0]=4 1671 B18R1.378 CCCC1CCCCC1OCCCCCC(=O)N 34a_100011217265_100009817443 [1,0,0,1,0,0|2,0,0]=4 1672 B18R1.378 CCCC1CCCCC1OCCCCCC(=O)N 7a_100011217265_100009817443 [1,0,0,1,0,0|2,0,0]=4 1673 B18R1.1108 CCCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210320 [1,0,0,1,0,0|2,0,0]=4 1674 B18R1.1108 CCCCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100011214924 [1,0,0,1,0,0|2,0,0]=4 1675 B18R1.1108 O=C1CCCC(C1)OCCCCCCCCCO 34a_100012613340_100009813782 [1,0,0,1,0,0|2,0,0]=4 1676 B18R1.1108 O=C1CCCC(N1)COCCCCCCCCO 34a_200000102386_100000033203 [1,0,0,1,0,0|2,0,0]=4 1677 B18R1.1139 NC(=O)CCCCCN1CCCCC1CCCO 2230a_100011934581_100009817443 [1,0,0,1,0,0|2,0,0]=4 1678 B18R1.1139 NC(=O)CCCCCN1CCCCC1CCCO 269982a_100011934581_100009817443 [1,0,0,1,0,0|2,0,0]=4 1679 B18R1.1139 NC(=O)CCCCCN1CCCCC1CCCO 34a_100011934581_100009817443 [1,0,0,1,0,0|2,0,0]=4 1680 B18R1.1260 CCCCCCCCCCCNC1COC(=O)O1 34a_200011215754_100000032252 [1,0,0,1,0,0|2,0,0]=4 1681 B18R1.1260 CCCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011215454 [1,0,0,1,0,0|2,0,0]=4 1682 B18R1.1260 CCCCCCCCCCCOC1COC(=O)O1 34a_100000210809_100000032252 [1,0,0,1,0,0|2,0,0]=4 1683 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)O1 2230a_100000684558_100000181169 [1,0,0,1,0,0|2,0,0]=4 1684 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)O1 34a_100000684558_100000181169 [1,0,0,1,0,0|2,0,0]=4 1685 B18R1.1260 CCCCCCCCCCNCC1COC(=O)O1 34a_100000684558_100000073702 [1,0,0,1,0,0|2,0,0]=4 1686 B18R1.1260 CCCCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000684558_100015189358 [1,0,0,1,0,0|2,0,0]=4 1687 B18R1.1260 CCCCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210320 [1,0,0,1,0,0|2,0,0]=4 1688 B18R1.1260 CCCCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210320 [1,0,0,1,0,0|2,0,0]=4 1689 B18R1.1260 CCCCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210320 [1,0,0,1,0,0|2,0,0]=4 1690 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)O1 34a_100000210711_100000181169 [1,0,0,1,0,0|2,0,0]=4 1691 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210320 [1,0,0,1,0,0|2,0,0]=4 1692 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)O1 7a_100000210711_100000181169 [1,0,0,1,0,0|2,0,0]=4 1693 B18R1.1260 CCCCCCCCCCOCC1COC(=O)O1 34a_100000210711_100000073702 [1,0,0,1,0,0|2,0,0]=4 1694 B18R1.1260 CCCCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210711_100015189358 [1,0,0,1,0,0|2,0,0]=4 1695 B18R1.1260 CCCCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210320 [1,0,0,1,0,0|2,0,0]=4 1696 B18R1.1260 CCCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210320 [1,0,0,1,0,0|2,0,0]=4 1697 B18R1.1260 CCCCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210320 [1,0,0,1,0,0|2,0,0]=4 1698 B18R1.1260 O=C1CCC(C1)OCCCCCCCCCCO 34a_100012614533_100009813290 [1,0,0,1,0,0|2,0,0]=4 1699 B18R1.1260 O=C1CCC(N1)COCCCCCCCCCO 34a_100000737831_100009813782 [1,0,0,1,0,0|2,0,0]=4 1700 B18R1.1260 O=C1CC[C@@H](N1)CNCCCCCCCCCO 2230a_100015423886_100009813782 [1,0,0,1,0,0|2,0,0]=4 1701 B18R1.1260 O=C1CC[C@@H](N1)CNCCCCCCCCCO 34a_100015423886_100009813782 [1,0,0,1,0,0|2,0,0]=4 1702 B18R1.1260 O=C1CC[C@H](N1)CNCCCCCCCCCO 2230a_100000078944_100015189358 [1,0,0,1,0,0|2,0,0]=4 1703 B18R1.1260 O=C1CC[C@H](N1)CSCCCCCCCCCO 62a_100009813782_100015189358 [1,0,0,1,0,0|2,0,0]=4 1704 B18R1.1260 O=C1CC[C@H](N1)CSCCCCCCCCCO 62a_100015189358_100009813782 [1,0,0,1,0,0|2,0,0]=4 1705 B18R1.1260 O=C1NCC(O1)CNCCCCCCCCCO 2230a_100000078944_100000181169 [1,0,0,1,0,0|2,0,0]=4 1706 B18R1.1260 O=C1NCC(O1)CNCCCCCCCCCO 34a_100000078944_100000181169 [1,0,0,1,0,0|2,0,0]=4 1707 B18R1.1260 O=C1NCC(O1)COCCCCCCCCCO 34a_100011315639_100009813782 [1,0,0,1,0,0|2,0,0]=4 1708 B18R1.1260 O=C1NCC(O1)CSCCCCCCCCCO 62a_100000181169_100009813782 [1,0,0,1,0,0|2,0,0]=4 1709 B18R1.1260 O=C1NCC(O1)CSCCCCCCCCCO 62a_100009813782_100000181169 [1,0,0,1,0,0|2,0,0]=4 1710 B18R1.1260 O=C1OCC(O1)CNCCCCCCCCCO 34a_100000078944_100000073702 [1,0,0,1,0,0|2,0,0]=4 1711 B18R1.1260 O=C1OCC(O1)CSCCCCCCCCCO 62a_100000073702_100009813782 [1,0,0,1,0,0|2,0,0]=4 1712 B18R1.1260 O=C1OCC(O1)CSCCCCCCCCCO 62a_100009813782_100000073702 [1,0,0,1,0,0|2,0,0]=4 1713 B18R1.1260 O=C1OCC(O1)NCCCCCCCCCCO 34a_100000066964_100000032252 [1,0,0,1,0,0|2,0,0]=4 1714 B18R1.1260 O=C1OCC(O1)SCCCCCCCCCCO 62a_100009813290_100000032252 [1,0,0,1,0,0|2,0,0]=4 1715 B18R1.1326 CCCCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_200000198059 [1,0,0,1,0,0|2,0,0]=4 1716 B18R1.1326 CCCCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_200000198059 [1,0,0,1,0,0|2,0,0]=4 1717 B18R1.4119 CCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210614 [1,0,0,1,0,0|1,0,0]=3 1718 B18R1.4119 CCCCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000743108 [1,0,0,1,0,0|2,0,0]=4 1719 B18R1.4119 O=C(O)CCC1CCCCN1CCCCCCF 269956a_100000694054_100015922095 [1,0,0,1,0,0|2,0,0]=4 1720 B18R1.4119 O=C(O)CCC1CCCCN1CCCCCCO 269956a_100000694054_100000766143 [1,0,0,1,0,0|1,0,0]=3 1721 B18R1.4136 CCCCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_200011216720 [1,0,0,1,0,0|2,0,0]=4 1722 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100011214924 [1,0,0,1,0,0|2,0,0]=4 1723 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210670 [1,0,0,1,0,0|2,0,0]=4 1724 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100011214924 [1,0,0,1,0,0|2,0,0]=4 1725 B18R1.5438 CCCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210670 [1,0,0,1,0,0|1,0,0]=3 1726 B18R1.5438 CCCCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210670 [1,0,0,1,0,0|2,0,0]=4 1727 B18R1.5438 CCCCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210670 [1,0,0,1,0,0|2,0,0]=4 1728 B18R1.5438 CCCCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210670 [1,0,0,1,0,0|2,0,0]=4 1729 B18R1.5438 CCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210759 [1,0,0,1,0,0|1,0,0]=3 1730 B18R1.5438 COCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011998445 [1,0,0,1,0,0|2,0,0]=4 1731 B18R1.5438 NC(=O)C1CCCCN1CCCCCCCCO 2230a_100000181395_100000033203 [1,0,0,1,0,0|2,0,0]=4 1732 B18R1.5438 NC(=O)C1CCCCN1CCCCCCCCO 269982a_100000181395_100000033203 [1,0,0,1,0,0|2,0,0]=4 1733 B18R1.5438 NC(=O)C1CCCCN1CCCCCCCCO 34a_100000181395_100000033203 [1,0,0,1,0,0|2,0,0]=4 1734 B18R1.5438 O=C(O)C1CCSCN1CCCCCCCCO 269956a_100015185162_100000033203 [1,0,0,1,0,0|2,0,0]=4 1735 B18R1.5438 O=C(O)C1CSCCN1CCCCCCCCO 269956a_100011346106_100000033203 [1,0,0,1,0,0|2,0,0]=4 1736 B18R1.5438 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCCCO 269956a_100009816435_100000760002 [1,0,0,1,0,0|1,0,0]=3 1737 B18R1.5438 O=C(O)[C@H]1CCCCN1CCCCCCCCO 269956a_100000763471_100000033203 [1,0,0,1,0,0|1,0,0]=3 1738 B18R1.5438 O=C(O)[C@H]1COCCN1CCCCCCCCO 269956a_100016993156_100000033203 [1,0,0,1,0,0|2,0,0]=4 1739 B18R1.8743 CCCCCCCCCCCNCC1CC(=O)C1 2230a_200011215754_100009874392 [1,0,0,1,0,0|2,0,0]=4 1740 B18R1.8743 CCCCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011215454 [1,0,0,1,0,0|2,0,0]=4 1741 B18R1.8743 CCCCCCCCCCCOCC1CC(=O)C1 7a_100000210809_100009874392 [1,0,0,1,0,0|2,0,0]=4 1742 B18R1.8743 O=C1CC(C1)CNCCCCCCCCCCO 2230a_100000066964_100009874392 [1,0,0,1,0,0|2,0,0]=4 1743 B18R1.8743 O=C1CC(C1)COCCCCCCCCCCO 34a_100000101936_100009813290 [1,0,0,1,0,0|2,0,0]=4 1744 B18R1.8743 O=C1CC(C1)CSCCCCCCCCCCO 62a_100009813290_100009874392 [1,0,0,1,0,0|2,0,0]=4 1745 B18R1.8743 O=C1CC(C1)CSCCCCCCCCCCO 62a_100009874392_200000033068 [1,0,0,1,0,0|2,0,0]=4 1746 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210759 [1,0,0,1,0,0|2,0,0]=4 1747 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210759 [1,0,0,1,0,0|2,0,0]=4 1748 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210759 [1,0,0,1,0,0|2,0,0]=4 1749 B18R1.8758 NC(=O)CC1CCCCN1CCCCCCCO 2230a_100015184752_100000760002 [1,0,0,1,0,0|2,0,0]=4 1750 B18R1.8758 NC(=O)CC1CCCCN1CCCCCCCO 269982a_100015184752_100000760002 [1,0,0,1,0,0|2,0,0]=4 1751 B18R1.8758 NC(=O)CC1CCCCN1CCCCCCCO 34a_100015184752_100000760002 [1,0,0,1,0,0|2,0,0]=4 1752 B18R1.10603 CC(=O)CCCCCCCCOC1CCCCO1 1458a_100000070787_200009814348 [1,0,0,1,0,0|2,0,0]=4 1753 B18R1.10603 CC(=O)CCCCOCCCCC1CCCCC1 34a_100011215267_100009817362 [1,0,0,1,0,0|2,0,0]=4 1754 B18R1.10603 CC(=O)CCCCOCCCCC1CCCCC1 7a_100011215267_100000735457 [1,0,0,1,0,0|2,0,0]=4 1755 B18R1.10603 NC(=O)CCCCCNCCCC1CCCCC1 2230a_100011211642_100009817443 [1,0,0,1,0,0|2,0,0]=4 1756 B18R1.10603 NC(=O)CCCCCNCCCC1CCCCC1 34a_100011211642_100009817443 [1,0,0,1,0,0|2,0,0]=4 1757 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 34a_100000123541_100011713725 [1,0,0,1,0,0|2,0,0]=4 1758 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 34a_100000198086_100009817443 [1,0,0,1,0,0|2,0,0]=4 1759 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 7a_100000123541_100011713725 [1,0,0,1,0,0|2,0,0]=4 1760 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 7a_100000198086_100009817443 [1,0,0,1,0,0|2,0,0]=4 1761 B18R1.10603 NC(=O)CCCCCSCCCC1CCCCC1 62a_100009817443_100011713725 [1,0,0,1,0,0|2,0,0]=4 1762 B18R1.10603 NC(=O)CCCCCSCCCC1CCCCC1 62a_100011713725_100009817443 [1,0,0,1,0,0|2,0,0]=4 1763 B18R1.10603 O=C(O)CNCCCCCCOC1CCCCO1 269956a_100016091260_100000033462 [1,0,0,1,0,0|2,0,0]=4 1764 B18R1.10603 O=C([O-])CCCCCOCCCC1CCCCC1 7a_100102619762_100011713725 [1,0,0,1,0,0|1,0,1]=4 1765 B18R1.13145 CCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215454 [1,0,0,1,0,0|1,0,0]=3 1766 B18R1.13145 O=C(O)C1CCN1CCCCCCCCCCO 269956a_100000021838_100009813290 [1,0,0,1,0,0|1,0,0]=3 1767 B18R1.17819 CC1CCN1CCCCCCCCCCC(=O)N 269982a_100000755817_200010167045 [1,0,0,1,0,0|2,0,0]=4 1768 B18R1.17819 CC1CCN1CCCCCCCCCCC(=O)N 34a_100000755817_200010167045 [1,0,0,1,0,0|2,0,0]=4 1769 B18R1.20697 NC(=O)CCCCCCCCCCN1CCCC1 2230a_100000188435_200010167045 [1,0,0,1,0,0|2,0,0]=4 1770 B18R1.20697 NC(=O)CCCCCCCCCCN1CCCC1 269982a_100000188435_200010167045 [1,0,0,1,0,0|2,0,0]=4 1771 B18R1.20745 NC(=O)CCCCCCCCCCNCC1CC1 2230a_100000735609_200010167045 [1,0,0,1,0,0|2,0,0]=4 1772 B18R1.20745 NC(=O)CCCCCCCCCCNCC1CC1 34a_100000735609_200010167045 [1,0,0,1,0,0|2,0,0]=4 1773 B18R1.20745 NC(=O)CCCCCCCCCCOCC1CC1 34a_100000211283_200010167045 [1,0,0,1,0,0|2,0,0]=4 1774 B18R1.20745 NC(=O)CCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_200010167045 [1,0,0,1,0,0|2,0,0]=4 1775 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CC1 62a_100000756562_200010167045 [1,0,0,1,0,0|2,0,0]=4 1776 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CC1 62a_200010167045_100000742324 [1,0,0,1,0,0|2,0,0]=4 1777 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CO1 62a_102125554688_200010167045 [1,0,0,1,0,0|2,0,0]=4 1778 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CO1 62a_200010167045_102125554688 [1,0,0,1,0,0|2,0,0]=4 1779 B18R1.20745 NC(=O)CCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_200010167045 [1,0,0,1,0,0|2,0,0]=4 1780 B18R1.20745 NC(=O)CCCCCCCCCCSC[C@@H]1CO1 62a_200010167045_100000745022 [1,0,0,1,0,0|2,0,0]=4 1781 B18R1.21165 CC(=O)CCOC1CCCCCCCCCCC1 7a_100000211378_100000053229 [1,0,0,1,0,0|2,0,0]=4 1782 B18R1.21165 NC(=O)CCNC1CCCCCCCCCCC1 2230a_100011194316_100000744528 [1,0,0,1,0,0|2,0,0]=4 1783 B18R1.21165 NC(=O)CCNC1CCCCCCCCCCC1 34a_100011194316_100000731001 [1,0,0,1,0,0|2,0,0]=4 1784 B18R1.21165 NC(=O)CCOC1CCCCCCCCCCC1 34a_100000211378_100000731001 [1,0,0,1,0,0|2,0,0]=4 1785 B18R1.21165 NC(=O)CCOC1CCCCCCCCCCC1 7a_100000211378_100000744528 [1,0,0,1,0,0|2,0,0]=4 1786 B18R1.21181 NC(=O)CCCCCCCCCCNC1CCC1 2230a_100000749019_200010167045 [1,0,0,1,0,0|2,0,0]=4 1787 B18R1.21181 NC(=O)CCCCCCCCCCNC1CCC1 34a_100000749019_200010167045 [1,0,0,1,0,0|2,0,0]=4 1788 B18R1.21181 NC(=O)CCCCCCCCCCOC1CCC1 34a_100000748187_200010167045 [1,0,0,1,0,0|2,0,0]=4 1789 B18R1.21181 NC(=O)CCCCCCCCCCSC1CCC1 62a_200010167045_100000749161 [1,0,0,1,0,0|2,0,0]=4 1790 B18R1.21929 CCCCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210320 [1,0,0,1,0,0|2,0,0]=4 1791 B18R1.21929 CCCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210320 [1,0,0,1,0,0|1,0,0]=3 1792 B18R1.21929 CCCCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210320 [1,0,0,1,0,0|2,0,0]=4 1793 B18R1.21929 CCCCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210320 [1,0,0,1,0,0|2,0,0]=4 1794 B18R1.21929 NC(=O)[C@@H]1CCCN1CCCCCCCCCO 2230a_100000003125_100009813782 [1,0,0,1,0,0|2,0,0]=4 1795 B18R1.21929 O=C(O)C1SCCN1CCCCCCCCCO 269956a_100000035718_100009813782 [1,0,0,1,0,0|2,0,0]=4 1796 B18R1.21929 O=C(O)[C@@H]1CCCN1CCCCCCCCCO 269956a_100000743916_100009813782 [1,0,0,1,0,0|1,0,0]=3 1797 B18R1.21929 O=C(O)[C@@H]1CSCN1CCCCCCCCCO 269956a_100000743924_100009813782 [1,0,0,1,0,0|2,0,0]=4 1798 B18R1.22565 CCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210759 [1,0,0,1,0,0|1,0,0]=3 1799 B18R1.22565 COCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011998445 [1,0,0,1,0,0|2,0,0]=4 1800 B18R1.22565 O=C(O)C1CCCCCN1CCCCCCCO 269956a_100000758484_100000760002 [1,0,0,1,0,0|1,0,0]=3 1801 B18R1.36057 CCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210757 [1,0,0,1,0,0|1,0,0]=3 1802 B18R1.36057 CCCCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011995733 [1,0,0,1,0,0|2,0,0]=4 1803 B18R1.36057 CCCOCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215938 [1,0,0,1,0,0|2,0,0]=4 1804 B18R1.36057 CCOCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100012232248 [1,0,0,1,0,0|2,0,0]=4 1805 B18R1.36057 COCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000730899 [1,0,0,1,0,0|2,0,0]=4 1806 B18R1.36057 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCF 269956a_200049070474_100000729378 [1,0,0,1,0,0|2,0,0]=4 1807 B18R1.36057 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCO 269956a_200049070474_100000746330 [1,0,0,1,0,0|1,0,0]=3 1808 B18R1.36057 O=C(O)[C@H]1CCCCCC[C@H]1NCCOCCO 269956a_200049070474_100011215305 [1,0,0,1,0,0|2,0,0]=4 1809 B18R1.174647 CC(=O)CCCCNCCC1CCCCCCC1 34a_100011532352_100009817362 [1,0,0,1,0,0|2,0,0]=4 1810 B18R1.174647 NC(=O)CCCCCOCC1CCCCCCC1 34a_100011216312_100009817443 [1,0,0,1,0,0|2,0,0]=4 1811 B18R1.174647 NC(=O)CCCCCOCC1CCCCCCC1 7a_100011216312_100009817443 [1,0,0,1,0,0|2,0,0]=4 1812 B18R1.175218 NC(=O)CCCCCNCCC1CCCCCC1 2230a_100011532351_100009817443 [1,0,0,1,0,0|2,0,0]=4 1813 B18R1.175218 NC(=O)CCCCCNCCC1CCCCCC1 34a_100011532351_100009817443 [1,0,0,1,0,0|2,0,0]=4 1814 B18R1.292 C=CCCCCCCCCCCOC1CCCO1 34a_100000085407_100011093070 [1,0,0,1,0,0|2,0,0]=4 1815 B18R1.292 C=CCCCCCCCCCNCC1CCCO1 2230a_100000081888_100000203698 [1,0,0,1,0,0|2,0,0]=4 1816 B18R1.292 C=CCCCCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009814027 [1,0,0,1,0,0|2,0,0]=4 1817 B18R1.292 C=CCCCCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100009814027 [1,0,0,1,0,0|2,0,0]=4 1818 B18R1.292 C=CCCCCCCCCCOCC1CCCO1 34a_100000210270_100009814027 [1,0,0,1,0,0|2,0,0]=4 1819 B18R1.292 C=CCCCCCCCCCOCC1CCCO1 7a_100000038209_100000203698 [1,0,0,1,0,0|2,0,0]=4 1820 B18R1.292 C=CCCCCCCCCCOCC1CCCO1 7a_100000210270_100009814027 [1,0,0,1,0,0|2,0,0]=4 1821 B18R1.292 O=CCCCCCOCCCCOC1CCCO1 7a_100011018183_100000139337 [1,0,0,1,0,0|2,0,0]=4 1822 B18R1.292 O=CCSCCCCCCCCCC1OCCO1 62a_200015260668_103619048131 [1,0,0,1,0,0|2,0,0]=4 1823 B18R1.292 OCCCCCCCCCCCOC1CCCO1 34a_100000085407_100009812471 [1,0,0,1,0,0|1,0,1]=4 1824 B18R1.292 OCCCCCCCCCCNCC1CCCO1 2230a_100000066964_100000203698 [1,0,0,1,0,0|1,0,1]=4 1825 B18R1.292 OCCCCCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009813290 [1,0,0,1,0,0|1,0,1]=4 1826 B18R1.292 OCCCCCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100009813290 [1,0,0,1,0,0|1,0,1]=4 1827 B18R1.292 OCCCCCCCCCCOCC1CCCO1 34a_100000210270_100009813290 [1,0,0,1,0,0|1,0,1]=4 1828 B18R1.292 OCCCCCCCCCCOCC1CCCO1 7a_100000210270_100009813290 [1,0,0,1,0,0|1,0,1]=4 1829 B18R1.292 OCCCCCCCCCCSCC1CCCO1 62a_100000203698_200000033068 [1,0,0,1,0,0|1,0,1]=4 1830 B18R1.292 OCCCCCCCCCCSCC1CCCO1 62a_100009813290_100000203698 [1,0,0,1,0,0|1,0,1]=4 1831 B18R1.317 C=CCCCCCCCCOC1CCCCC1O 34a_100011215194_100000038908 [1,0,0,1,0,0|2,0,0]=4 1832 B18R1.317 C=CCCCCCCCCSC1CCCCC1O 62a_100000038908_100011933949 [1,0,0,1,0,0|2,0,0]=4 1833 B18R1.317 C=CCCCCCCCCSC1CCCCC1O 62a_100011933949_100000038908 [1,0,0,1,0,0|2,0,0]=4 1834 B18R1.317 C=CCCCCCCCNCC1CCCCC1O 34a_100011216029_100012355270 [1,0,0,1,0,0|2,0,0]=4 1835 B18R1.317 CCCCCCCCCCNC1CCCCC1=O 34a_100000684558_100000754470 [1,0,0,1,0,0|2,0,0]=4 1836 B18R1.317 CCCCCCCCCCOC1CCCCC1=O 34a_100000210711_100000754470 [1,0,0,1,0,0|2,0,0]=4 1837 B18R1.317 CCCCCCCCCCOC1CCCCC1=O 34a_100011214950_100000210320 [1,0,0,1,0,0|2,0,0]=4 1838 B18R1.317 CCCCCCCCCCOC1CCCCC1=O 7a_100000210711_100000204591 [1,0,0,1,0,0|2,0,0]=4 1839 B18R1.317 CCCCCCCCCOCC1CCCCC1=O 34a_100009861125_100011214924 [1,0,0,1,0,0|2,0,0]=4 1840 B18R1.317 CCCCCCCCCOCC1CCCCC1=O 7a_100009861125_100000210328 [1,0,0,1,0,0|2,0,0]=4 1841 B18R1.317 NCCCCCCCCCOC1CCCCC1=O 34a_100000078944_100000754470 [1,0,0,1,0,0|2,0,0]=4 1842 B18R1.317 O=C1CCCCC1COCCCCCCCCO 34a_100009861125_100000033203 [1,0,0,1,0,0|1,0,0]=3 1843 B18R1.317 O=C1CCCCC1COCCCCCCCCO 7a_100009861125_100000033203 [1,0,0,1,0,0|1,0,0]=3 1844 B18R1.317 O=C1CCCCC1NCCCCCCCCCO 34a_100000078944_100000754470 [1,0,0,1,0,0|1,0,0]=3 1845 B18R1.317 O=C1CCCCC1OCCCCCCCCCBr 34a_100009813782_100000754470 [1,0,0,1,0,0|2,0,0]=4 1846 B18R1.317 O=C1CCCCC1OCCCCCCCCCBr 7a_100009813782_100000204591 [1,0,0,1,0,0|2,0,0]=4 1847 B18R1.317 O=C1CCCCC1OCCCCCCCCCCl 34a_100009868337_100000754470 [1,0,0,1,0,0|2,0,0]=4 1848 B18R1.317 O=C1CCCCC1OCCCCCCCCCCl 7a_100009868337_100000204591 [1,0,0,1,0,0|2,0,0]=4 1849 B18R1.317 O=C1CCCCC1OCCCCCCCCCO 34a_100011214950_100009813782 [1,0,0,1,0,0|1,0,0]=3 1850 B18R1.317 O=C1CCCCC1SCCCCCCCCCO 62a_100000204591_100009813782 [1,0,0,1,0,0|1,0,0]=3 1851 B18R1.317 O=C1CCCCC1SCCCCCCCCCO 62a_100009813782_100000204591 [1,0,0,1,0,0|1,0,0]=3 1852 B18R1.317 O=C1CCCCN1CCNCCCCCCCO 2230a_100160573077_100000760002 [1,0,0,1,0,0|2,0,0]=4 1853 B18R1.317 O=C1CCCCN1CCNCCCCCCCO 34a_100160573077_100000760002 [1,0,0,1,0,0|2,0,0]=4 1854 B18R1.317 O=C1CCOCC1NCCCCCCCCCO 34a_100000078944_100012180262 [1,0,0,1,0,0|2,0,0]=4 1855 B18R1.317 O=C1CCOCC1SCCCCCCCCCO 62a_100009813782_100012180262 [1,0,0,1,0,0|2,0,0]=4 1856 B18R1.317 O=C1CCOCC1SCCCCCCCCCO 62a_100012180262_100009813782 [1,0,0,1,0,0|2,0,0]=4 1857 B18R1.317 O=C1NCCCC1NCCCCCCCCCO 2230a_100000078944_100000687798 [1,0,0,1,0,0|2,0,0]=4 1858 B18R1.317 O=C1NCCCC1NCCCCCCCCCO 2230a_100000747585_100009813782 [1,0,0,1,0,0|2,0,0]=4 1859 B18R1.317 O=C1NCCCC1NCCCCCCCCCO 34a_100000078944_100000687798 [1,0,0,1,0,0|2,0,0]=4 1860 B18R1.317 O=C1NCCCC1NCCCCCCCCCO 34a_100000747585_100009813782 [1,0,0,1,0,0|2,0,0]=4 1861 B18R1.317 O=C1NCCCC1OCCCCCCCCCO 34a_100000073722_100009813782 [1,0,0,1,0,0|2,0,0]=4 1862 B18R1.317 O=C1NCCCC1SCCCCCCCCCO 62a_100000687798_100009813782 [1,0,0,1,0,0|2,0,0]=4 1863 B18R1.317 O=C1NCCCC1SCCCCCCCCCO 62a_100009813782_100000687798 [1,0,0,1,0,0|2,0,0]=4 1864 B18R1.317 OCCCCCCCCCNC1CCCCC1O 34a_100000078944_100000038908 [1,0,0,1,0,0|1,0,1]=4 1865 B18R1.317 OCCCCCCCCCSC1CCCCC1O 62a_100000038908_100009813782 [1,0,0,1,0,0|1,0,1]=4 1866 B18R1.317 OCCCCCCCCCSC1CCCCC1O 62a_100009813782_100000038908 [1,0,0,1,0,0|1,0,1]=4 1867 B18R1.317 OCCCCCCCCNCC1CCCCC1O 34a_100011216029_100000033203 [1,0,0,1,0,0|1,0,1]=4 1868 B18R1.318 C=CCCCCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009814027 [1,0,0,1,0,0|2,0,0]=4 1869 B18R1.318 C=CCCCCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009814027 [1,0,0,1,0,0|2,0,0]=4 1870 B18R1.318 C=CCCCCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100009814027 [1,0,0,1,0,0|2,0,0]=4 1871 B18R1.318 OCCCCCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009813290 [1,0,0,1,0,0|1,0,1]=4 1872 B18R1.318 OCCCCCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009813290 [1,0,0,1,0,0|1,0,1]=4 1873 B18R1.318 OCCCCCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100009813290 [1,0,0,1,0,0|1,0,1]=4 1874 B18R1.1261 C=CCCCCCCCCCOC1CCCCO1 34a_100000033831_100009814027 [1,0,0,1,0,0|2,0,0]=4 1875 B18R1.1261 C=CCCCCCCCCNCC1CCCCO1 2230a_100000174945_100011933949 [1,0,0,1,0,0|2,0,0]=4 1876 B18R1.1261 C=CCCCCCCCCNCC1CCCCO1 34a_100000174945_100011933949 [1,0,0,1,0,0|2,0,0]=4 1877 B18R1.1261 C=CCCCCCCCCOCC1CCCCO1 34a_100000211370_100011933949 [1,0,0,1,0,0|2,0,0]=4 1878 B18R1.1261 C=CCCCCCCCCOCC1CCCCO1 34a_100011215194_100000211543 [1,0,0,1,0,0|2,0,0]=4 1879 B18R1.1261 C=CCCCCCCCCOCC1CCCCO1 7a_100000211370_100011933949 [1,0,0,1,0,0|2,0,0]=4 1880 B18R1.1261 C=CCCCCCCCCOCC1CCCCO1 7a_100011215194_100000211543 [1,0,0,1,0,0|2,0,0]=4 1881 B18R1.1261 C=CCCCCCCCNCCC1CCCCO1 2230a_100015183643_100012355270 [1,0,0,1,0,0|2,0,0]=4 1882 B18R1.1261 C=CCCCCCCCNCCC1CCCCO1 34a_100015183643_100012355270 [1,0,0,1,0,0|2,0,0]=4 1883 B18R1.1261 O=CCCCCCOCCCCC1CCCCC1 7a_100011215267_100000139337 [1,0,0,1,0,0|2,0,0]=4 1884 B18R1.1261 O=CCCCCCSCCCOC1CCCCO1 62a_100000139337_100000700653 [1,0,0,1,0,0|2,0,0]=4 1885 B18R1.1261 O=CCCCCCSCCCOC1CCCCO1 62a_100000700653_100000139337 [1,0,0,1,0,0|2,0,0]=4 1886 B18R1.1261 O=CCCCCSCCCCOC1CCCCO1 62a_100000031530_100000139335 [1,0,0,1,0,0|2,0,0]=4 1887 B18R1.1261 O=CCCCCSCCCCOC1CCCCO1 62a_100000139335_100000031530 [1,0,0,1,0,0|2,0,0]=4 1888 B18R1.1261 OCCCCCCCCCCNC1C=CCCC1 2230a_100000066964_100000751183 [1,0,0,1,0,0|2,0,0]=4 1889 B18R1.1261 OCCCCCCCCCCOC1C=CCCC1 34a_100011215024_100009813290 [1,0,0,1,0,0|2,0,0]=4 1890 B18R1.1261 OCCCCCCCCCCOC1CCCCO1 34a_100000033831_100009813290 [1,0,0,1,0,0|1,0,1]=4 1891 B18R1.1261 OCCCCCCCCCCSC1C=CCCC1 62a_100000751183_200000033068 [1,0,0,1,0,0|2,0,0]=4 1892 B18R1.1261 OCCCCCCCCCCSC1C=CCCC1 62a_100009813290_100000751183 [1,0,0,1,0,0|2,0,0]=4 1893 B18R1.1261 OCCCCCCCCCNCC1CCCCO1 2230a_100000078944_100000211543 [1,0,0,1,0,0|1,0,1]=4 1894 B18R1.1261 OCCCCCCCCCNCC1CCCCO1 2230a_100000174945_100009813782 [1,0,0,1,0,0|1,0,1]=4 1895 B18R1.1261 OCCCCCCCCCNCC1CCCCO1 34a_100000078944_100000211543 [1,0,0,1,0,0|1,0,1]=4 1896 B18R1.1261 OCCCCCCCCCNCC1CCCCO1 34a_100000174945_100009813782 [1,0,0,1,0,0|1,0,1]=4 1897 B18R1.1261 OCCCCCCCCCOCC1CCC=CO1 34a_100011217868_100009813782 [1,0,0,1,0,0|1,0,1]=4 1898 B18R1.1261 OCCCCCCCCCOCC1CCCCO1 34a_100000211370_100009813782 [1,0,0,1,0,0|1,0,1]=4 1899 B18R1.1261 OCCCCCCCCCOCC1CCCCO1 7a_100000211370_100009813782 [1,0,0,1,0,0|1,0,1]=4 1900 B18R1.1261 OCCCCCCCCCSCC1CCCCO1 62a_100000211543_100009813782 [1,0,0,1,0,0|1,0,1]=4 1901 B18R1.1261 OCCCCCCCCCSCC1CCCCO1 62a_100009813782_100000211543 [1,0,0,1,0,0|1,0,1]=4 1902 B18R1.1261 OCCCCCCCCNCCC1CCCCO1 2230a_100015183643_100000033203 [1,0,0,1,0,0|1,0,1]=4 1903 B18R1.1261 OCCCCCCCCNCCC1CCCCO1 34a_100015183643_100000033203 [1,0,0,1,0,0|1,0,1]=4 1904 B18R1.1280 CCCCCCCCCOC1CCCCCC1=O 7a_100000210712_100000243696 [1,0,0,1,0,0|2,0,0]=4 1905 B18R1.1280 O=C1CCCCCC1OCCCCCCCCBr 7a_100009813846_100000243696 [1,0,0,1,0,0|2,0,0]=4 1906 B18R1.1280 O=C1CCCCCC1OCCCCCCCCCl 7a_100000033203_100000243696 [1,0,0,1,0,0|2,0,0]=4 1907 B18R1.1280 O=C1CCCCCC1SCCCCCCCCO 62a_100000033203_100000243696 [1,0,0,1,0,0|1,0,0]=3 1908 B18R1.1280 O=C1CCCCCC1SCCCCCCCCO 62a_100000243696_100000033203 [1,0,0,1,0,0|1,0,0]=3 1909 B18R1.1280 O=C1CCCCCN1CCCNCCCCCO 2230a_100000195386_100000746330 [1,0,0,1,0,0|2,0,0]=4 1910 B18R1.1280 O=C1CCCCCN1CCCNCCCCCO 34a_100000195386_100000746330 [1,0,0,1,0,0|2,0,0]=4 1911 B18R1.1280 O=C1NCCCCC1NCCCCCCCCO 2230a_100000698827_100000033203 [1,0,0,1,0,0|2,0,0]=4 1912 B18R1.1280 O=C1NCCCCC1NCCCCCCCCO 2230a_102515433106_100000735217 [1,0,0,1,0,0|2,0,0]=4 1913 B18R1.1280 O=C1NCCCCC1NCCCCCCCCO 34a_100000698827_100000033203 [1,0,0,1,0,0|2,0,0]=4 1914 B18R1.1280 O=C1NCCCCC1SCCCCCCCCO 62a_100000033203_100000735217 [1,0,0,1,0,0|2,0,0]=4 1915 B18R1.1280 O=C1NCCCCC1SCCCCCCCCO 62a_100000735217_100000033203 [1,0,0,1,0,0|2,0,0]=4 1916 B18R1.4113 C=CCCCCCCCCN1CCCCC1CO 2230a_100000210821_100011933949 [1,0,0,1,0,0|2,0,0]=4 1917 B18R1.4113 C=CCCCCCCCCN1CCCCC1CO 269982a_100000210821_100011933949 [1,0,0,1,0,0|2,0,0]=4 1918 B18R1.4113 C=CCCCCCCCCN1CCCCC1CO 34a_100000210821_100011933949 [1,0,0,1,0,0|2,0,0]=4 1919 B18R1.4113 O=CCCCCCNCCN1CCCCC1CO 2230a_100011473795_100000139337 [1,0,0,1,0,0|2,0,0]=4 1920 B18R1.4113 OCCCCCCCCCN1CCCCC1CO 2230a_100000210821_100009813782 [1,0,0,1,0,0|1,0,1]=4 1921 B18R1.4113 OCCCCCCCCCN1CCCCC1CO 269982a_100000210821_100009813782 [1,0,0,1,0,0|1,0,1]=4 1922 B18R1.4113 OCCCCCCCCCN1CCCCC1CO 34a_100000210821_100009813782 [1,0,0,1,0,0|1,0,1]=4 1923 B18R1.4113 OCCCCCCCCNC1CCCCC1CO 270004a_102515433106_100009861125 [1,0,0,1,0,0|1,0,1]=4 1924 B18R1.5429 C=CCCCCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100011093070 [1,0,0,1,0,0|2,0,0]=4 1925 B18R1.5429 C=CCCCCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100011093070 [1,0,0,1,0,0|2,0,0]=4 1926 B18R1.5429 C=CCCCCCCCCCCOCC1CCO1 34a_100000039022_100011093070 [1,0,0,1,0,0|2,0,0]=4 1927 B18R1.5429 OCCCCCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100009812471 [1,0,0,1,0,0|1,0,1]=4 1928 B18R1.5429 OCCCCCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100009812471 [1,0,0,1,0,0|1,0,1]=4 1929 B18R1.5429 OCCCCCCCCCCCOCC1CCO1 34a_100000039022_100009812471 [1,0,0,1,0,0|1,0,1]=4 1930 B18R1.5429 OCCCCCCCCCCCSCC1CCO1 62a_100009812471_100000103362 [1,0,0,1,0,0|1,0,1]=4 1931 B18R1.8759 C=CCCCCCCN1CCCCC1CCCO 2230a_100011934581_100011215473 [1,0,0,1,0,0|2,0,0]=4 1932 B18R1.8759 C=CCCCCCCN1CCCCC1CCCO 269982a_100011934581_100011215473 [1,0,0,1,0,0|2,0,0]=4 1933 B18R1.8759 C=CCCCCCCN1CCCCC1CCCO 34a_100011934581_100011215473 [1,0,0,1,0,0|2,0,0]=4 1934 B18R1.8759 OCCCCCCCN1CCCCC1CCCO 2230a_100011934581_100000760002 [1,0,0,1,0,0|1,0,1]=4 1935 B18R1.8759 OCCCCCCCN1CCCCC1CCCO 269982a_100011934581_100000760002 [1,0,0,1,0,0|1,0,1]=4 1936 B18R1.8759 OCCCCCCCN1CCCCC1CCCO 34a_100011934581_100000760002 [1,0,0,1,0,0|1,0,1]=4 1937 B18R1.21916 C=CCCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_100009814027_200016002552 [1,0,0,1,0,0|2,0,0]=4 1938 B18R1.21916 C=CCCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009814027 [1,0,0,1,0,0|2,0,0]=4 1939 B18R1.21916 CCCCCCCCCCCNC1CCCC1=O 2230a_200011215754_100000211823 [1,0,0,1,0,0|2,0,0]=4 1940 B18R1.21916 CCCCCCCCCCCNC1CCCC1=O 34a_200011215754_100000709159 [1,0,0,1,0,0|2,0,0]=4 1941 B18R1.21916 CCCCCCCCCCCOC1CCCC1=O 34a_100000210809_100000709159 [1,0,0,1,0,0|2,0,0]=4 1942 B18R1.21916 CCCCCCCCCCCOC1CCCC1=O 34a_200000719330_100011215454 [1,0,0,1,0,0|2,0,0]=4 1943 B18R1.21916 CCCCCCCCCCCOC1CCCC1=O 7a_100000210809_100000211823 [1,0,0,1,0,0|2,0,0]=4 1944 B18R1.21916 NCCCCCCCCCCOC1CCCC1=O 34a_100000066964_100000709159 [1,0,0,1,0,0|2,0,0]=4 1945 B18R1.21916 O=C1CCCC1NCCCCCCCCCCO 2230a_100000066964_100000211823 [1,0,0,1,0,0|1,0,0]=3 1946 B18R1.21916 O=C1CCCC1NCCCCCCCCCCO 34a_100000066964_100000709159 [1,0,0,1,0,0|1,0,0]=3 1947 B18R1.21916 O=C1CCCC1OCCCCCCCCCCBr 34a_100009813290_100000709159 [1,0,0,1,0,0|2,0,0]=4 1948 B18R1.21916 O=C1CCCC1OCCCCCCCCCCBr 7a_100009813290_100000211823 [1,0,0,1,0,0|2,0,0]=4 1949 B18R1.21916 O=C1CCCC1OCCCCCCCCCCCl 34a_200000033068_100000709159 [1,0,0,1,0,0|2,0,0]=4 1950 B18R1.21916 O=C1CCCC1OCCCCCCCCCCCl 7a_200000033068_100000211823 [1,0,0,1,0,0|2,0,0]=4 1951 B18R1.21916 O=C1CCCC1OCCCCCCCCCCO 34a_200000719330_100009813290 [1,0,0,1,0,0|1,0,0]=3 1952 B18R1.21916 O=C1CCCC1SCCCCCCCCCCO 62a_100000211823_200000033068 [1,0,0,1,0,0|1,0,0]=3 1953 B18R1.21916 O=C1CCCC1SCCCCCCCCCCO 62a_100009813290_100000211823 [1,0,0,1,0,0|1,0,0]=3 1954 B18R1.21916 O=C1CCCN1CCCNCCCCCCCO 2230a_100000210347_100000760002 [1,0,0,1,0,0|2,0,0]=4 1955 B18R1.21916 O=C1CCCN1CCCNCCCCCCCO 34a_100000210347_100000760002 [1,0,0,1,0,0|2,0,0]=4 1956 B18R1.21916 O=C1CCCN1CCCOCCCCCCCO 34a_100011216539_100000760002 [1,0,0,1,0,0|2,0,0]=4 1957 B18R1.21916 O=C1CCCN1CCCOCCCCCCCO 7a_100011216539_100000760002 [1,0,0,1,0,0|2,0,0]=4 1958 B18R1.21916 O=C1CCCN1CCNCCCCCCCCO 2230a_100011200922_100000033203 [1,0,0,1,0,0|2,0,0]=4 1959 B18R1.21916 O=C1CCCN1CCNCCCCCCCCO 2230a_102515433106_100000739059 [1,0,0,1,0,0|2,0,0]=4 1960 B18R1.21916 O=C1CCCN1CCNCCCCCCCCO 34a_102515433106_100000739059 [1,0,0,1,0,0|2,0,0]=4 1961 B18R1.21916 O=C1CCCN1CCOCCCCCCCCO 34a_100000211209_100000033203 [1,0,0,1,0,0|2,0,0]=4 1962 B18R1.21916 O=C1CCCN1CCOCCCCCCCCO 7a_100000211209_100000033203 [1,0,0,1,0,0|2,0,0]=4 1963 B18R1.21916 O=C1CCCN1CCSCCCCCCCCO 62a_100000033203_100000739059 [1,0,0,1,0,0|2,0,0]=4 1964 B18R1.21916 O=C1CCCN1CCSCCCCCCCCO 62a_100000739059_100000033203 [1,0,0,1,0,0|2,0,0]=4 1965 B18R1.21916 O=C1CCCN1CSCCCCCCCCCO 62a_100000026320_100009813782 [1,0,0,1,0,0|2,0,0]=4 1966 B18R1.21916 O=C1CCCN1CSCCCCCCCCCO 62a_100009813782_100000026320 [1,0,0,1,0,0|2,0,0]=4 1967 B18R1.21916 O=C1NCCC1COCCCCCCCCCO 34a_100000133458_100009813782 [1,0,0,1,0,0|2,0,0]=4 1968 B18R1.21916 O=C1NCCC1NCCCCCCCCCCO 2230a_100016995588_100009813290 [1,0,0,1,0,0|2,0,0]=4 1969 B18R1.21916 O=C1NCCC1NCCCCCCCCCCO 34a_100016995588_100009813290 [1,0,0,1,0,0|2,0,0]=4 1970 B18R1.21916 O=C1NCC[C@@H]1OCCCCCCCCCCO 34a_100000688343_100009813290 [1,0,0,1,0,0|2,0,0]=4 1971 B18R1.21916 O=C1OCCC1NCCCCCCCCCCO 2230a_100000066964_100000211211 [1,0,0,1,0,0|2,0,0]=4 1972 B18R1.21916 O=C1OCCC1NCCCCCCCCCCO 34a_100000066964_100000211211 [1,0,0,1,0,0|2,0,0]=4 1973 B18R1.21916 O=C1OCCC1SCCCCCCCCCCO 62a_100000211211_200000033068 [1,0,0,1,0,0|2,0,0]=4 1974 B18R1.21916 O=C1OCCC1SCCCCCCCCCCO 62a_100009813290_100000211211 [1,0,0,1,0,0|2,0,0]=4 1975 B18R1.21916 OCCCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_100009813290_200016002552 [1,0,0,1,0,0|1,0,1]=4 1976 B18R1.21916 OCCCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_200000033068 [1,0,0,1,0,0|1,0,1]=4 1977 B18R1.21926 CCCCCCCCCCCCNC1CCC1=O 34a_100000210451_100009892977 [1,0,0,1,0,0|2,0,0]=4 1978 B18R1.21926 CCCCCCCCCCCCOC1CCC1=O 34a_100000210810_100009892977 [1,0,0,1,0,0|2,0,0]=4 1979 B18R1.21926 CCCCCCCCCCCCOC1CCC1=O 7a_100000210810_100009892977 [1,0,0,1,0,0|2,0,0]=4 1980 B18R1.21926 CCCCCCCCCCNCCC1CCC1=O 2230a_100000684558_200016118888 [1,0,0,1,0,0|2,0,0]=4 1981 B18R1.21926 CCCCCCCCCCOCCC1CCC1=O 7a_100000210711_200016118888 [1,0,0,1,0,0|2,0,0]=4 1982 B18R1.21926 O=C1CCC1CCNCCCCCCCCCO 2230a_100000078944_200016118888 [1,0,0,1,0,0|1,0,0]=3 1983 B18R1.21926 O=C1CCC1CCOCCCCCCCCCBr 7a_100009813782_200016118888 [1,0,0,1,0,0|2,0,0]=4 1984 B18R1.21926 O=C1CCC1CCOCCCCCCCCCCl 7a_100009868337_200016118888 [1,0,0,1,0,0|2,0,0]=4 1985 B18R1.21926 O=C1CCC1CCSCCCCCCCCCO 62a_100009813782_200016118888 [1,0,0,1,0,0|1,0,0]=3 1986 B18R1.21926 O=C1CCC1CCSCCCCCCCCCO 62a_200016118888_100009813782 [1,0,0,1,0,0|1,0,0]=3 1987 B18R1.21926 O=C1CCC1OCCCCCCCCCCCBr 34a_100009812471_100009892977 [1,0,0,1,0,0|2,0,0]=4 1988 B18R1.21926 O=C1CCC1OCCCCCCCCCCCBr 7a_100009812471_100009892977 [1,0,0,1,0,0|2,0,0]=4 1989 B18R1.21926 O=C1CCC1SCCCCCCCCCCCO 62a_100009812471_100009892977 [1,0,0,1,0,0|1,0,0]=3 1990 B18R1.21949 CCCCNC1CCCCCCCCCCC1=O 2230a_100000102301_200009990614 [1,0,0,1,0,0|2,0,0]=4 1991 B18R1.21949 CCCCNC1CCCCCCCCCCC1=O 7a_106832991798_200009990614 [1,0,0,1,0,0|2,0,0]=4 1992 B18R1.21949 CCCCOC1CCCCCCCCCCC1=O 34a_100000210227_200009990614 [1,0,0,1,0,0|2,0,0]=4 1993 B18R1.21949 CCCCOC1CCCCCCCCCCC1=O 7a_100000210227_200009990614 [1,0,0,1,0,0|2,0,0]=4 1994 B18R1.21949 NCCCOC1CCCCCCCCCCC1=O 34a_100000182051_200009990614 [1,0,0,1,0,0|2,0,0]=4 1995 B18R1.21949 O=C1CCCCCCCCCCC1NCCCF 2230a_100015189416_200009990614 [1,0,0,1,0,0|2,0,0]=4 1996 B18R1.21949 O=C1CCCCCCCCCCC1NCCCF 34a_100015189416_200009990614 [1,0,0,1,0,0|2,0,0]=4 1997 B18R1.21949 O=C1CCCCCCCCCCC1OCCCBr 34a_100011217188_200009990614 [1,0,0,1,0,0|2,0,0]=4 1998 B18R1.21949 O=C1CCCCCCCCCCC1OCCCCl 34a_100000230001_200009990614 [1,0,0,1,0,0|2,0,0]=4 1999 B18R1.21949 O=C1CCCCCCCCCCC1OCCCF 34a_100000759539_200009990614 [1,0,0,1,0,0|2,0,0]=4 2000 B18R1.21949 O=C1CCCCCCCCCCC1SCCCF 62a_100011934791_200009990614 [1,0,0,1,0,0|2,0,0]=4 2001 B18R1.21949 O=C1CCCCCCCCCCC1SCCCF 62a_200009990614_100011934791 [1,0,0,1,0,0|2,0,0]=4 2002 B18R1.21949 O=C1CCCCCCCCCCC1SCCCO 62a_100011215043_200009990614 [1,0,0,1,0,0|1,0,0]=3 2003 B18R1.21949 O=C1CCCCCCCCCCC1SCCCO 62a_200009990614_100011215043 [1,0,0,1,0,0|1,0,0]=3 2004 B18R1.23376 O=CCCCNC1CCCCCCCCCCC1 2230a_100011194316_200011292268 [1,0,0,1,0,0|2,0,0]=4 2005 B18R1.23376 O=CCCCOC1CCCCCCCCCCC1 7a_100000211378_200011292268 [1,0,0,1,0,0|2,0,0]=4 2006 B18R1.35414 C=CCC1CCCCC1NCCCCCCCO 269862a_100011996573_100011214939 [1,0,0,1,0,0|2,0,0]=4 2007 B18R1.35414 C=CCC1CCCCC1NCCCCCCCO 270004a_100011996573_100011214939 [1,0,0,1,0,0|2,0,0]=4 2008 B18R1.35414 C=CCCCCCCCN1CCCCC1CCO 2230a_100000211664_100012355270 [1,0,0,1,0,0|2,0,0]=4 2009 B18R1.35414 C=CCCCCCCCN1CCCCC1CCO 269982a_100000211664_100012355270 [1,0,0,1,0,0|2,0,0]=4 2010 B18R1.35414 C=CCCCCCCCN1CCCCC1CCO 34a_100000211664_100012355270 [1,0,0,1,0,0|2,0,0]=4 2011 B18R1.35414 OCCCCCCCCN1CCCCC1CCO 2230a_100000211664_100000033203 [1,0,0,1,0,0|1,0,1]=4 2012 B18R1.35414 OCCCCCCCCN1CCCCC1CCO 269982a_100000211664_100000033203 [1,0,0,1,0,0|1,0,1]=4 2013 B18R1.35414 OCCCCCCCCN1CCCCC1CCO 34a_100000211664_100000033203 [1,0,0,1,0,0|1,0,1]=4 2014 B18R1.40549 O=CCCCCCNCCC1CCCCCCC1 2230a_100011532352_100000139337 [1,0,0,1,0,0|2,0,0]=4 2015 B18R1.40549 OCCCCCCCCOC1C=CCCCCC1 34a_100000688657_100000033203 [1,0,0,1,0,0|2,0,0]=4 2016 B20R2.252798 CCCCCCN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_100000210757 [0,0,0,2,0,0|2,0,0]=4 2017 B20R2.252798 O=C(O)C1CCC2CCCCC2N1CCCCCF 269956a_100000765686_100000729378 [0,0,0,2,0,0|2,0,0]=4 2018 B20R2.252798 O=C(O)C1CCC2CCCCC2N1CCCCCO 269956a_100000765686_100000746330 [0,0,0,2,0,0|1,0,0]=3 2019 B20R2.252798 O=C(O)C1CCC2CCCCC2N1CCOCCO 269956a_100000765686_100011215305 [0,0,0,2,0,0|2,0,0]=4 2020 B20R2.179028 CCCCCCCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000210759 [0,0,0,2,0,0|2,0,0]=4 2021 B20R2.179028 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCCCCCO 269956a_100015758391_100000760002 [0,0,0,2,0,0|1,0,0]=3 2022 B20R2.10555 O=C(O)CCC1CCCCN1CCC2CCCCC2 269956a_100000694054_100011273959 [0,0,0,2,0,0|2,0,0]=4 2023 B20R2.10555 O=C(O)CCC1CCCCN1CCC2OCCCO2 269956a_100000694054_100000764188 [0,0,0,2,0,0|2,0,0]=4 2024 B20R2.77831 O=C(O)CCC1CCCCN1CCCC2CCCC2 269956a_100000694054_100011713738 [0,0,0,2,0,0|2,0,0]=4 2025 B20R2.77831 O=C(O)CCC1CCCCN1CCCC2OCCO2 269956a_100000694054_100000042513 [0,0,0,2,0,0|2,0,0]=4 2026 B20R2.311055 CCCCCCCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000210614 [0,0,0,2,0,0|2,0,0]=4 2027 B20R2.311055 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCCCCF 269956a_100000703543_100015922095 [0,0,0,2,0,0|2,0,0]=4 2028 B20R2.311055 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCCCCO 269956a_100000703543_100000766143 [0,0,0,2,0,0|1,0,0]=3 2029 B20R2.755235 O=C(O)CCC1CCCCN1CC2CCCCCC2 269956a_100000694054_200000696569 [0,0,0,2,0,0|2,0,0]=4 2030 B20R2.597875 O=C(O)[C@H]1CCCCCC[C@H]1NC2CCCCC2F 269956a_200049070474_100015423560 [0,0,0,2,0,0|2,0,0]=4 2031 B20R2.597875 O=C(O)[C@H]1CCCCCC[C@H]1NC2CCCCC2O 269956a_200049070474_100000038908 [0,0,0,2,0,0|1,0,0]=3 2032 B20R2.10733 O=C(O)[C@@H]1CCCC[C@H]1NCCCC2CCCCC2 269956a_100009816435_100011713725 [0,0,0,2,0,0|2,0,0]=4 2033 B20R2.10733 O=C(O)[C@@H]1CCCC[C@H]1NCCOC2CCCCO2 269956a_100009816435_100000744793 [0,0,0,2,0,0|2,0,0]=4 2034 B20R2.10733 O=C(O)[C@H]1CCCCN1CCCOC2CCCCO2 269956a_100000763471_100000700653 [0,0,0,2,0,0|2,0,0]=4 2035 B20R2.10784 O=C(O)[C@@H]1CCCN1CCCCOC2CCCCO2 269956a_100000743916_100000031530 [0,0,0,2,0,0|2,0,0]=4 2036 B20R2.170966 O=C(O)[C@H]1CCCCCC[C@H]1NCC2CCCCC2 269956a_200049070474_100000211423 [0,0,0,2,0,0|2,0,0]=4 2037 B20R2.170966 O=C(O)[C@H]1CCCCCC[C@H]1NCC2CCCCO2 269956a_200049070474_100000211543 [0,0,0,2,0,0|1,0,0]=3 2038 B20R2.170993 O=C(O)C1CCCCCN1CCCC2CCCCC2 269956a_100000758484_100011713725 [0,0,0,2,0,0|2,0,0]=4 2039 B20R2.170993 O=C(O)C1CCCCCN1CCOC2CCCCO2 269956a_100000758484_100000744793 [0,0,0,2,0,0|2,0,0]=4 2040 B20R2.10742 O=C(O)[C@@H]1CCCC[C@H]1NCCCCC2OCCO2 269956a_100009816435_100000034956 [0,0,0,2,0,0|2,0,0]=4 2041 B20R2.173546 O=C(O)C1CCCCCN1CCCCC2OCCO2 269956a_100000758484_100000034956 [0,0,0,2,0,0|2,0,0]=4 2042 B20R2.173580 O=C(O)[C@H]1CCCCCC[C@H]1NCCC2CCCC2 269956a_200049070474_100000760354 [0,0,0,2,0,0|2,0,0]=4 2043 B20R2.173580 O=C(O)[C@H]1CCCCCC[C@H]1NCCC2OCCO2 269956a_200049070474_100000740749 [0,0,0,2,0,0|2,0,0]=4 2044 B20R2.767993 O=C(O)[C@H]1CCCCCC[C@H]1NC2CCCCCC2 269956a_200049070474_100011217769 [0,0,0,2,0,0|2,0,0]=4