0 B17R0.43 CC(=O)CCCCCCCCCCCCCCO 1458a_100000070787_100009828009 [0,0,0,0,0,0|2,0,2]=4 1 B17R0.43 CC/C=C/CC/C=C/COCCCCCC(=O)N 34a_100016264143_100009817443 [0,0,0,0,0,0|2,0,2]=4 2 B17R0.43 CC/C=C/CC/C=C/COCCCCCC(=O)N 7a_100016264143_100009817443 [0,0,0,0,0,0|2,0,2]=4 3 B17R0.43 CCCCC/C=C/C=C/COCCCCC(=O)C 34a_200014065772_100009817362 [0,0,0,0,0,0|2,0,2]=4 4 B17R0.43 CCCCC/C=C/C=C/COCCCCC(=O)C 7a_200014065772_100000735457 [0,0,0,0,0,0|2,0,2]=4 5 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 34a_100020655193_100009817362 [0,0,0,0,0,0|2,0,2]=4 6 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 7a_100020655193_100000735457 [0,0,0,0,0,0|2,0,2]=4 7 B17R0.43 CCCCC/C=C\CCOCCCCCC(=O)N 34a_100016277358_100009817443 [0,0,0,0,0,0|2,0,2]=4 8 B17R0.43 CCCCC/C=C\CCOCCCCCC(=O)N 7a_100016277358_100009817443 [0,0,0,0,0,0|2,0,2]=4 9 B17R0.43 CCCCCC/C=C/C=C/COCCCC(=O)C 34a_200028454808_100000685027 [0,0,0,0,0,0|2,0,2]=4 10 B17R0.43 CCCCCC/C=C/C=C/COCCCC(=O)C 7a_200028454808_100011215641 [0,0,0,0,0,0|2,0,2]=4 11 B17R0.43 CCCCCC/C=C/C=C/COCCCC(=O)N 34a_200028454808_100102525003 [0,0,0,0,0,0|2,0,2]=4 12 B17R0.43 CCCCCC/C=C/C=C/COCCCC(=O)N 7a_200028454808_100102525003 [0,0,0,0,0,0|2,0,2]=4 13 B17R0.43 CCCCCC/C=C/COCCCCCB(O)O 34a_200016276170_200009817188 [0,0,0,0,0,0|2,0,1]=3 14 B17R0.43 CCCCCC/C=C/COCCCCCB(O)O 7a_200016276170_200009817188 [0,0,0,0,0,0|2,0,1]=3 15 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 34a_200016276170_100009817443 [0,0,0,0,0,0|2,0,0]=2 16 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 7a_200016276170_100009817443 [0,0,0,0,0,0|2,0,0]=2 17 B17R0.43 CCCCCC/C=C/COCCCCOC(=O)C 34a_200016276170_100000033659 [0,0,0,0,0,0|3,0,0]=3 18 B17R0.43 CCCCCC/C=C/COCCCCOC(=O)C 7a_200016276170_100000033659 [0,0,0,0,0,0|3,0,0]=3 19 B17R0.43 CCCCCC/C=C/COCCCCO[N+](=O)[O-] 34a_200016276170_100015694321 [0,0,0,0,0,0|3,0,1]=4 20 B17R0.43 CCCCCC/C=C/COCCCCO[N+](=O)[O-] 7a_200016276170_100015694321 [0,0,0,0,0,0|3,0,1]=4 21 B17R0.43 CCCCCC/C=C/COCCCCSC(=O)C 34a_200016276170_200010402107 [0,0,0,0,0,0|3,0,0]=3 22 B17R0.43 CCCCCC/C=C/COCCCCSC(=O)C 7a_200016276170_200010402107 [0,0,0,0,0,0|3,0,0]=3 23 B17R0.43 CCCCCC/C=C/COCOCCOC(=O)C 34a_200016276170_100000076355 [0,0,0,0,0,0|4,0,0]=4 24 B17R0.43 CCCCCCC#CCCOCCCCC(=O)C 34a_200000033163_100009817362 [0,0,0,0,0,0|2,0,2]=4 25 B17R0.43 CCCCCCC#CCCOCCCCC(=O)C 7a_200000033163_100000735457 [0,0,0,0,0,0|2,0,2]=4 26 B17R0.43 CCCCCCC#CCOCCCCCC(=O)N 34a_200000037284_100009817443 [0,0,0,0,0,0|2,0,2]=4 27 B17R0.43 CCCCCCC#CCOCCCCCC(=O)N 7a_200000037284_100009817443 [0,0,0,0,0,0|2,0,2]=4 28 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 11a_100011217771_100015343762 [0,0,0,0,0,0|2,0,2]=4 29 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 1626a_100011217771_100015343762 [0,0,0,0,0,0|2,0,2]=4 30 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 240690a_100011217771_100015343762 [0,0,0,0,0,0|2,0,2]=4 31 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 527a_100011217771_100103153847 [0,0,0,0,0,0|2,0,2]=4 32 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210684 [0,0,0,0,0,0|2,0,2]=4 33 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100011215765_100000747473 [0,0,0,0,0,0|2,0,2]=4 34 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 34a_100011215765_100000187820 [0,0,0,0,0,0|2,0,2]=4 35 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [0,0,0,0,0,0|1,0,2]=3 36 B17R0.43 CCCCCCCCCCCCCNCC(=O)[O-] 34a_100011215765_100020667443 [0,0,0,0,0,0|1,0,3]=4 37 B17R0.43 CCCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000210684 [0,0,0,0,0,0|2,0,2]=4 38 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 34a_100000185773_100000187820 [0,0,0,0,0,0|2,0,2]=4 39 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 7a_100000185773_100000187820 [0,0,0,0,0,0|2,0,2]=4 40 B17R0.43 CCCCCCCCCCCCCOCC(=O)[O-] 34a_100000185773_100020667443 [0,0,0,0,0,0|1,0,3]=4 41 B17R0.43 CCCCCCCCCCCCCSCC(=O)N 62a_100000747473_100011934334 [0,0,0,0,0,0|2,0,2]=4 42 B17R0.43 CCCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011934334 [0,0,0,0,0,0|1,0,3]=4 43 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 2230a_100000210451_100000744528 [0,0,0,0,0,0|2,0,2]=4 44 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 34a_100000210451_100000731001 [0,0,0,0,0,0|2,0,2]=4 45 B17R0.43 CCCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000759014 [0,0,0,0,0,0|2,0,2]=4 46 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 34a_100000759926_100000759014 [0,0,0,0,0,0|2,0,2]=4 47 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000210810_100000053229 [0,0,0,0,0,0|2,0,2]=4 48 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000759926_100000759014 [0,0,0,0,0,0|2,0,2]=4 49 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000210810_100000731001 [0,0,0,0,0,0|2,0,2]=4 50 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000757172_100000759014 [0,0,0,0,0,0|2,0,2]=4 51 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000210810_100000744528 [0,0,0,0,0,0|2,0,2]=4 52 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000757172_100000759014 [0,0,0,0,0,0|2,0,2]=4 53 B17R0.43 CCCCCCCCCCCCSCCC(=O)N 62a_100000744528_100000759014 [0,0,0,0,0,0|2,0,2]=4 54 B17R0.43 CCCCCCCCCCCNCCCC(=O)C 34a_200011215754_100000685027 [0,0,0,0,0,0|2,0,2]=4 55 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_100000739312_100011215454 [0,0,0,0,0,0|2,0,2]=4 56 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_200011215754_100102525003 [0,0,0,0,0,0|2,0,2]=4 57 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000210809_100000685027 [0,0,0,0,0,0|2,0,2]=4 58 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000759063_100011215454 [0,0,0,0,0,0|2,0,2]=4 59 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000210809_100011215641 [0,0,0,0,0,0|2,0,2]=4 60 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000759063_100011215454 [0,0,0,0,0,0|2,0,2]=4 61 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 34a_100000210809_100102525003 [0,0,0,0,0,0|2,0,2]=4 62 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 7a_100000210809_100102525003 [0,0,0,0,0,0|2,0,2]=4 63 B17R0.43 CCCCCCCCCCCSCCCC(=O)N 62a_100102525003_100011215454 [0,0,0,0,0,0|2,0,2]=4 64 B17R0.43 CCCCCCCCCCNCCCCC(=O)C 34a_100000684558_100009817362 [0,0,0,0,0,0|2,0,2]=4 65 B17R0.43 CCCCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210320 [0,0,0,0,0,0|2,0,2]=4 66 B17R0.43 CCCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210320 [0,0,0,0,0,0|2,0,2]=4 67 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 34a_100000210711_100009817362 [0,0,0,0,0,0|2,0,2]=4 68 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 7a_100000210711_100000735457 [0,0,0,0,0,0|2,0,2]=4 69 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210320 [0,0,0,0,0,0|2,0,2]=4 70 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210320 [0,0,0,0,0,0|2,0,2]=4 71 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 2230a_100000212291_100009817443 [0,0,0,0,0,0|2,0,2]=4 72 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 34a_100000212291_100009817443 [0,0,0,0,0,0|2,0,2]=4 73 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000123541_100011214924 [0,0,0,0,0,0|2,0,2]=4 74 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000210712_100009817443 [0,0,0,0,0,0|2,0,2]=4 75 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210328 [0,0,0,0,0,0|2,0,2]=4 76 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000210712_100009817443 [0,0,0,0,0,0|2,0,2]=4 77 B17R0.43 CCCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210328 [0,0,0,0,0,0|1,0,3]=4 78 B17R0.43 CCCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210670 [0,0,0,0,0,0|2,0,2]=4 79 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210681 [0,0,0,0,0,0|3,0,1]=4 80 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210614 [0,0,0,0,0,0|3,0,1]=4 81 B17R0.43 CCCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210614 [0,0,0,0,0,0|3,0,1]=4 82 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 34a_100000691444_100009817443 [0,0,0,0,0,0|3,0,1]=4 83 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 7a_100000691444_100009817443 [0,0,0,0,0,0|3,0,1]=4 84 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 2230a_100000102301_200010167045 [0,0,0,0,0,0|2,0,2]=4 85 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 7a_106832991798_200010167045 [0,0,0,0,0,0|2,0,2]=4 86 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 34a_100000210227_200010167045 [0,0,0,0,0,0|2,0,2]=4 87 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 7a_100000210227_200010167045 [0,0,0,0,0,0|2,0,2]=4 88 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_100000210211_200010167045 [0,0,0,0,0,0|2,0,2]=4 89 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210210 [0,0,0,0,0,0|2,0,2]=4 90 B17R0.43 O=C(O)CNCCCCCCCCCCCCO 269956a_100016091260_100009813331 [0,0,0,0,0,0|2,0,2]=4 91 B17R0.43 O=C(O)CNCCCCCCOCCCCCO 269956a_100016091260_200132310570 [0,0,0,0,0,0|3,0,1]=4 92 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [1,0,0,0,0,0|2,0,1]=4 93 B16R0.274 CCCCC/C=C/COCCCCCB(O)O 34a_100016258190_200009817188 [1,0,0,0,0,0|2,0,1]=4 94 B16R0.274 CCCCC/C=C/COCCCCCB(O)O 7a_100016258190_200009817188 [1,0,0,0,0,0|2,0,1]=4 95 B16R0.274 CCCCC/C=C/COCCCCCC(=O)N 34a_100016258190_100009817443 [1,0,0,0,0,0|2,0,0]=3 96 B16R0.274 CCCCC/C=C/COCCCCCC(=O)N 7a_100016258190_100009817443 [1,0,0,0,0,0|2,0,0]=3 97 B16R0.274 CCCCC/C=C/COCCCCOC(=O)C 34a_100016258190_100000033659 [1,0,0,0,0,0|3,0,0]=4 98 B16R0.274 CCCCC/C=C/COCCCCOC(=O)C 7a_100016258190_100000033659 [1,0,0,0,0,0|3,0,0]=4 99 B16R0.274 CCCCC/C=C/COCCCCSC(=O)C 34a_100016258190_200010402107 [1,0,0,0,0,0|3,0,0]=4 100 B16R0.274 CCCCC/C=C/COCCCCSC(=O)C 7a_100016258190_200010402107 [1,0,0,0,0,0|3,0,0]=4 101 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 34a_100020655193_100000685027 [1,0,0,0,0,0|2,0,0]=3 102 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 7a_100020655193_100011215641 [1,0,0,0,0,0|2,0,0]=3 103 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)N 34a_100020655193_100102525003 [1,0,0,0,0,0|2,0,0]=3 104 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)N 7a_100020655193_100102525003 [1,0,0,0,0,0|2,0,0]=3 105 B16R0.274 CCCCC/C=C\CCCOCCCC(C)O 34a_100020655193_200000718107 [1,0,0,0,0,0|2,0,1]=4 106 B16R0.274 CCCCC/C=C\CCCOCCCC(C)O 7a_100020655193_200000718107 [1,0,0,0,0,0|2,0,1]=4 107 B16R0.274 CCCCC/C=C\CCCOCCNC(=O)C 7a_100020655193_100000189650 [1,0,0,0,0,0|3,0,0]=4 108 B16R0.274 CCCCC/C=C\CCCOCCNC(=O)N 7a_100020655193_200000034859 [1,0,0,0,0,0|3,0,0]=4 109 B16R0.274 CCCCC/C=C\CCCOCCOC(=O)C 34a_100020655193_100009814007 [1,0,0,0,0,0|3,0,0]=4 110 B16R0.274 CCCCC/C=C\CCCOCCOC(=O)C 7a_100020655193_100009814007 [1,0,0,0,0,0|3,0,0]=4 111 B16R0.274 CCCCC/C=C\CCCOCCOC(=O)N 34a_100020655193_200011214921 [1,0,0,0,0,0|3,0,0]=4 112 B16R0.274 CCCCC/C=C\CCCOCCOC(=O)N 7a_100020655193_200011214921 [1,0,0,0,0,0|3,0,0]=4 113 B16R0.274 CCCCC/C=C\CCOCCCCB(O)O 34a_100016277358_200009817182 [1,0,0,0,0,0|2,0,1]=4 114 B16R0.274 CCCCC/C=C\CCOCCCCB(O)O 7a_100016277358_200009817182 [1,0,0,0,0,0|2,0,1]=4 115 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 34a_100016277358_100009817362 [1,0,0,0,0,0|2,0,0]=3 116 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 7a_100016277358_100000735457 [1,0,0,0,0,0|2,0,0]=3 117 B16R0.274 CCCCC/C=C\CCOCCCOC(=O)C 34a_100016277358_100000042594 [1,0,0,0,0,0|3,0,0]=4 118 B16R0.274 CCCCC/C=C\CCOCCCOC(=O)C 7a_100016277358_100000042594 [1,0,0,0,0,0|3,0,0]=4 119 B16R0.274 CCCCC/C=C\CCOCCCSC(=O)C 34a_100016277358_100000038929 [1,0,0,0,0,0|3,0,0]=4 120 B16R0.274 CCCCC/C=C\CCOCCCSC(=O)C 7a_100016277358_100000038929 [1,0,0,0,0,0|3,0,0]=4 121 B16R0.274 CCCCC/C=C\CCOCCOCC(=O)N 34a_100016277358_100000076697 [1,0,0,0,0,0|3,0,0]=4 122 B16R0.274 CCCCC/C=C\CCOCCOCC(=O)N 7a_100016277358_100000076697 [1,0,0,0,0,0|3,0,0]=4 123 B16R0.274 CCCCCC/C=C/COCCCCB(O)O 34a_200016276170_200009817182 [1,0,0,0,0,0|2,0,1]=4 124 B16R0.274 CCCCCC/C=C/COCCCCB(O)O 7a_200016276170_200009817182 [1,0,0,0,0,0|2,0,1]=4 125 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 34a_200016276170_100009817362 [1,0,0,0,0,0|2,0,0]=3 126 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 7a_200016276170_100000735457 [1,0,0,0,0,0|2,0,0]=3 127 B16R0.274 CCCCCC/C=C/COCCCOC(=O)C 34a_200016276170_100000042594 [1,0,0,0,0,0|3,0,0]=4 128 B16R0.274 CCCCCC/C=C/COCCCOC(=O)C 7a_200016276170_100000042594 [1,0,0,0,0,0|3,0,0]=4 129 B16R0.274 CCCCCC/C=C/COCCCSC(=O)C 34a_200016276170_100000038929 [1,0,0,0,0,0|3,0,0]=4 130 B16R0.274 CCCCCC/C=C/COCCCSC(=O)C 7a_200016276170_100000038929 [1,0,0,0,0,0|3,0,0]=4 131 B16R0.274 CCCCCC/C=C/COCCOCC(=O)N 34a_200016276170_100000076697 [1,0,0,0,0,0|3,0,0]=4 132 B16R0.274 CCCCCC/C=C/COCCOCC(=O)N 7a_200016276170_100000076697 [1,0,0,0,0,0|3,0,0]=4 133 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [1,0,0,0,0,0|2,0,1]=4 134 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [1,0,0,0,0,0|2,0,1]=4 135 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [1,0,0,0,0,0|2,0,1]=4 136 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [1,0,0,0,0,0|2,0,1]=4 137 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [1,0,0,0,0,0|2,0,1]=4 138 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [1,0,0,0,0,0|2,0,1]=4 139 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [1,0,0,0,0,0|2,0,1]=4 140 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [1,0,0,0,0,0|1,0,1]=3 141 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [1,0,0,0,0,0|1,0,2]=4 142 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [1,0,0,0,0,0|2,0,1]=4 143 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [1,0,0,0,0,0|2,0,1]=4 144 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [1,0,0,0,0,0|2,0,1]=4 145 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [1,0,0,0,0,0|1,0,2]=4 146 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [1,0,0,0,0,0|2,0,1]=4 147 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [1,0,0,0,0,0|1,0,2]=4 148 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [1,0,0,0,0,0|2,0,1]=4 149 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [1,0,0,0,0,0|2,0,1]=4 150 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [1,0,0,0,0,0|2,0,1]=4 151 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [1,0,0,0,0,0|2,0,1]=4 152 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [1,0,0,0,0,0|2,0,1]=4 153 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [1,0,0,0,0,0|2,0,1]=4 154 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [1,0,0,0,0,0|2,0,1]=4 155 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [1,0,0,0,0,0|2,0,1]=4 156 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [1,0,0,0,0,0|2,0,1]=4 157 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [1,0,0,0,0,0|2,0,1]=4 158 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [1,0,0,0,0,0|2,0,1]=4 159 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [1,0,0,0,0,0|2,0,1]=4 160 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [1,0,0,0,0,0|2,0,1]=4 161 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [1,0,0,0,0,0|2,0,1]=4 162 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [1,0,0,0,0,0|2,0,1]=4 163 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [1,0,0,0,0,0|2,0,1]=4 164 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [1,0,0,0,0,0|2,0,1]=4 165 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [1,0,0,0,0,0|2,0,1]=4 166 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [1,0,0,0,0,0|2,0,1]=4 167 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [1,0,0,0,0,0|2,0,1]=4 168 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [1,0,0,0,0,0|2,0,1]=4 169 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [1,0,0,0,0,0|2,0,1]=4 170 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [1,0,0,0,0,0|2,0,1]=4 171 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [1,0,0,0,0,0|2,0,1]=4 172 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [1,0,0,0,0,0|2,0,1]=4 173 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [1,0,0,0,0,0|2,0,1]=4 174 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [1,0,0,0,0,0|2,0,1]=4 175 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [1,0,0,0,0,0|2,0,1]=4 176 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [1,0,0,0,0,0|2,0,1]=4 177 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [1,0,0,0,0,0|2,0,1]=4 178 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [1,0,0,0,0,0|2,0,1]=4 179 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [1,0,0,0,0,0|2,0,1]=4 180 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [1,0,0,0,0,0|2,0,1]=4 181 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [1,0,0,0,0,0|2,0,1]=4 182 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [1,0,0,0,0,0|1,0,2]=4 183 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [1,0,0,0,0,0|2,0,1]=4 184 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [1,0,0,0,0,0|2,0,1]=4 185 B16R0.274 CCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210314 [1,0,0,0,0,0|3,0,0]=4 186 B16R0.274 CCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210314 [1,0,0,0,0,0|3,0,0]=4 187 B16R0.274 CCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210757 [1,0,0,0,0,0|3,0,0]=4 188 B16R0.274 CCCCCCOCCOCCCCC(=O)C 34a_100000691444_100009817362 [1,0,0,0,0,0|3,0,0]=4 189 B16R0.274 CCCCCCOCCOCCCCC(=O)C 7a_100000691444_100000735457 [1,0,0,0,0,0|3,0,0]=4 190 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [1,0,0,0,0,0|2,0,1]=4 191 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [1,0,0,0,0,0|2,0,1]=4 192 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [1,0,0,0,0,0|2,0,1]=4 193 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [1,0,0,0,0,0|2,0,1]=4 194 B16R0.303 C#CCCCCCOC/C=C/CCCCCC 34a_200016276170_100012094781 [1,0,0,0,0,0|2,0,1]=4 195 B16R0.303 C#CCCCCCOC/C=C/CCCCCC 7a_200016276170_100012094781 [1,0,0,0,0,0|2,0,1]=4 196 B16R0.303 CC/C=C/CC/C=C/COCCCCCC=O 7a_100016264143_100000139337 [1,0,0,0,0,0|1,0,2]=4 197 B16R0.303 CCCCC/C=C/C=C/COCCCCC=O 7a_200014065772_100000139335 [1,0,0,0,0,0|1,0,2]=4 198 B16R0.303 CCCCC/C=C\CCCOCCCCC=O 7a_100020655193_100000139335 [1,0,0,0,0,0|1,0,2]=4 199 B16R0.303 CCCCC/C=C\CCOCCCCCC=O 7a_100016277358_100000139337 [1,0,0,0,0,0|1,0,2]=4 200 B16R0.303 CCCCCC/C=C/C=C/COCCCC=O 7a_200028454808_200011292268 [1,0,0,0,0,0|1,0,2]=4 201 B16R0.303 CCCCCC/C=C/COCCCCCC#N 7a_200016276170_100009813376 [1,0,0,0,0,0|2,0,1]=4 202 B16R0.303 CCCCCC/C=C/COCCCCCC=O 7a_200016276170_100000139337 [1,0,0,0,0,0|1,0,0]=2 203 B16R0.303 CCCCCC/C=C/COCCCCCCO 34a_200016276170_100000766143 [1,0,0,0,0,0|1,0,1]=3 204 B16R0.303 CCCCCC/C=C/COCCCCCCO 7a_200016276170_100000766143 [1,0,0,0,0,0|1,0,1]=3 205 B16R0.303 CCCCCCC#CCCOCCCCC=O 7a_200000033163_100000139335 [1,0,0,0,0,0|1,0,2]=4 206 B16R0.303 CCCCCCC#CCOCCCCCC=O 7a_200000037284_100000139337 [1,0,0,0,0,0|1,0,2]=4 207 B16R0.303 CCCCCCCCCCCCCNCC=O 2230a_100011215765_200015260668 [1,0,0,0,0,0|1,0,2]=4 208 B16R0.303 CCCCCCCCCCCCCNCC=O 34a_100011215765_200009817547 [1,0,0,0,0,0|1,0,2]=4 209 B16R0.303 CCCCCCCCCCCCCOCC=O 34a_100000185773_200009817547 [1,0,0,0,0,0|1,0,2]=4 210 B16R0.303 CCCCCCCCCCCCCOCC=O 7a_100000185773_200015260668 [1,0,0,0,0,0|1,0,2]=4 211 B16R0.303 CCCCCCCCCCCNCCCC=O 2230a_200011215754_200011292268 [1,0,0,0,0,0|1,0,2]=4 212 B16R0.303 CCCCCCCCCCCOCCCC=O 7a_100000210809_200011292268 [1,0,0,0,0,0|1,0,2]=4 213 B16R0.303 CCCCCCCCCCNCCCCC=O 2230a_100000684558_100000139335 [1,0,0,0,0,0|1,0,2]=4 214 B16R0.303 CCCCCCCCCCOCCCCC=O 7a_100000210711_100000139335 [1,0,0,0,0,0|1,0,2]=4 215 B16R0.303 CCCCCCCCCNCCCCCC=O 2230a_100000212291_100000139337 [1,0,0,0,0,0|1,0,2]=4 216 B16R0.303 CCCCCCCCCOCCCCCC=O 7a_100000210712_100000139337 [1,0,0,0,0,0|1,0,2]=4 217 B16R0.303 CCCCCCCNCCCCCCCCO 2230a_100000229938_100000033203 [1,0,0,0,0,0|1,0,2]=4 218 B16R0.303 CCCCCCCNCCCCCCCCO 2230a_102515433106_100000210681 [1,0,0,0,0,0|1,0,2]=4 219 B16R0.303 CCCCCCCNCCCCCCCCO 34a_102515433106_100000210614 [1,0,0,0,0,0|1,0,2]=4 220 B16R0.303 CCCCCCCOCCCCCCCCO 34a_100000210272_100000033203 [1,0,0,0,0,0|1,0,2]=4 221 B16R0.303 CCCCCCCOCCCCCCCCO 7a_100000210272_100000033203 [1,0,0,0,0,0|1,0,2]=4 222 B16R0.303 CCCCCCNCCCCCCCCCO 2230a_100000078944_100000210314 [1,0,0,0,0,0|1,0,2]=4 223 B16R0.303 CCCCCCNCCCCCCCCCO 2230a_100000210581_100009813782 [1,0,0,0,0,0|1,0,2]=4 224 B16R0.303 CCCCCCNCCCCCCCCCO 34a_100000078944_100000210314 [1,0,0,0,0,0|1,0,2]=4 225 B16R0.303 CCCCCCOCCCCCCCCCO 34a_100000210259_100009813782 [1,0,0,0,0,0|1,0,2]=4 226 B16R0.303 CCCCCCOCCCCCCCCCO 7a_100000210259_100009813782 [1,0,0,0,0,0|1,0,2]=4 227 B16R0.303 CCCCCCOCCOCCCCCC=O 7a_100000691444_100000139337 [1,0,0,0,0,0|2,0,1]=4 228 B18R0.94 CCCCCCC=CC(=O)CCCCCCB(O)O 1458a_200015324643_100009817187 [0,1,0,0,0,0|1,0,2]=4 229 B18R0.94 CCCCCCC=CC(=O)CCCCCOC(=O)C 1458a_200015324643_100000033007 [0,1,0,0,0,0|2,0,1]=4 230 B18R0.127 CCCCCCC(=O)NCCCCCCNC(=O)C 11a_200011996284_100102632555 [0,1,0,0,0,0|3,0,0]=4 231 B18R0.127 CCCCCCC(=O)NCCCCCCNC(=O)C 1626a_200011996284_100102632555 [0,1,0,0,0,0|3,0,0]=4 232 B18R0.127 CCCCCCC(=O)NCCCCCCNC(=O)C 240690a_200011996284_100102632555 [0,1,0,0,0,0|3,0,0]=4 233 B18R0.127 CCCCCCC(=O)NCCCCCCNC(=O)C 527a_200011996284_100102632555 [0,1,0,0,0,0|3,0,0]=4 234 B18R0.127 CCCCCCC(=O)NCCCCCCSC(=O)C 11a_100000704104_100102632555 [0,1,0,0,0,0|3,0,0]=4 235 B18R0.127 CCCCCCC(=O)NCCCCCCSC(=O)C 1626a_100000704104_100102632555 [0,1,0,0,0,0|3,0,0]=4 236 B18R0.127 CCCCCCC(=O)NCCCCCCSC(=O)C 240690a_100000704104_100102632555 [0,1,0,0,0,0|3,0,0]=4 237 B18R0.127 CCCCCCC(=O)NCCCCCCSC(=O)C 527a_100000704104_100102632555 [0,1,0,0,0,0|3,0,0]=4 238 B18R0.171 C#CC(O)CCCCCOC/C=C/CCCCCC 34a_200016276170_200010408556 [0,1,0,0,0,0|2,0,1]=4 239 B18R0.171 C#CC(O)CCCCCOC/C=C/CCCCCC 7a_200016276170_200010408556 [0,1,0,0,0,0|2,0,1]=4 240 B18R0.171 CC/C=C/CC/C=C/COCCCCCC(=O)OC 34a_100016264143_100009816466 [0,1,0,0,0,0|1,0,2]=4 241 B18R0.171 CC/C=C/CC/C=C/COCCCCCC(=O)OC 7a_100016264143_100009816466 [0,1,0,0,0,0|1,0,2]=4 242 B18R0.171 CCCCC/C=C/C=C/COCCCCC(=O)OC 34a_200014065772_100000204269 [0,1,0,0,0,0|1,0,2]=4 243 B18R0.171 CCCCC/C=C/C=C/COCCCCC(=O)OC 7a_200014065772_100000204269 [0,1,0,0,0,0|1,0,2]=4 244 B18R0.171 CCCCC/C=C/COCCCCCCC(=O)OC 34a_100016258190_100009815986 [0,1,0,0,0,0|1,0,2]=4 245 B18R0.171 CCCCC/C=C/COCCCCCCC(=O)OC 7a_100016258190_100009815986 [0,1,0,0,0,0|1,0,2]=4 246 B18R0.171 CCCCC/C=C\CCCOCCCCC(=O)OC 34a_100020655193_100000204269 [0,1,0,0,0,0|1,0,2]=4 247 B18R0.171 CCCCC/C=C\CCCOCCCCC(=O)OC 7a_100020655193_100000204269 [0,1,0,0,0,0|1,0,2]=4 248 B18R0.171 CCCCC/C=C\CCOCCCCCC(=O)OC 34a_100016277358_100009816466 [0,1,0,0,0,0|1,0,2]=4 249 B18R0.171 CCCCC/C=C\CCOCCCCCC(=O)OC 7a_100016277358_100009816466 [0,1,0,0,0,0|1,0,2]=4 250 B18R0.171 CCCCCC/C=C/C=C/COCCCC(=O)OC 34a_200028454808_100000742333 [0,1,0,0,0,0|1,0,2]=4 251 B18R0.171 CCCCCC/C=C/C=C/COCCCC(=O)OC 7a_200028454808_100011218270 [0,1,0,0,0,0|1,0,2]=4 252 B18R0.171 CCCCCC/C=C/COCCCCCC(=O)OC 34a_200016276170_100009816466 [0,1,0,0,0,0|1,0,0]=2 253 B18R0.171 CCCCCC/C=C/COCCCCCC(=O)OC 7a_200016276170_100009816466 [0,1,0,0,0,0|1,0,0]=2 254 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 11a_106832991635_100020587579 [0,1,0,0,0,0|1,0,0]=2 255 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 1626a_100102657272_100020587579 [0,1,0,0,0,0|1,0,0]=2 256 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 240690a_100102657272_100020587579 [0,1,0,0,0,0|1,0,0]=2 257 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 527a_100102657272_100020587579 [0,1,0,0,0,0|1,0,0]=2 258 B18R0.171 CCCCCCC#CCCOCCCCC(=O)OC 34a_200000033163_100000204269 [0,1,0,0,0,0|1,0,2]=4 259 B18R0.171 CCCCCCC#CCCOCCCCC(=O)OC 7a_200000033163_100000204269 [0,1,0,0,0,0|1,0,2]=4 260 B18R0.171 CCCCCCC#CCOCCCCCC(=O)OC 34a_200000037284_100009816466 [0,1,0,0,0,0|1,0,2]=4 261 B18R0.171 CCCCCCC#CCOCCCCCC(=O)OC 7a_200000037284_100009816466 [0,1,0,0,0,0|1,0,2]=4 262 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 240690a_100011217771_100000210174 [0,1,0,0,0,0|1,0,2]=4 263 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 527a_100011217771_100000210174 [0,1,0,0,0,0|1,0,2]=4 264 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 2230a_100011215765_100000747449 [0,1,0,0,0,0|1,0,2]=4 265 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 34a_100011215765_100000747449 [0,1,0,0,0,0|1,0,2]=4 266 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 34a_100000185773_100000747449 [0,1,0,0,0,0|1,0,2]=4 267 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 7a_100000185773_100000747449 [0,1,0,0,0,0|1,0,2]=4 268 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 2230a_100000210451_100000204255 [0,1,0,0,0,0|1,0,2]=4 269 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 34a_100000210451_100000742370 [0,1,0,0,0,0|1,0,2]=4 270 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 34a_100000210810_100000742370 [0,1,0,0,0,0|1,0,2]=4 271 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 7a_100000210810_100000204255 [0,1,0,0,0,0|1,0,2]=4 272 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 2230a_200011215754_100011218270 [0,1,0,0,0,0|1,0,2]=4 273 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 34a_200011215754_100000742333 [0,1,0,0,0,0|1,0,2]=4 274 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 34a_100000210809_100000742333 [0,1,0,0,0,0|1,0,2]=4 275 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 7a_100000210809_100011218270 [0,1,0,0,0,0|1,0,2]=4 276 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 2230a_100000684558_100000204269 [0,1,0,0,0,0|1,0,2]=4 277 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 34a_100000684558_100000204269 [0,1,0,0,0,0|1,0,2]=4 278 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210320 [0,1,0,0,0,0|1,0,2]=4 279 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000210711_100000204269 [0,1,0,0,0,0|1,0,2]=4 280 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210320 [0,1,0,0,0,0|1,0,2]=4 281 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000210711_100000204269 [0,1,0,0,0,0|1,0,2]=4 282 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 2230a_100000212291_100009816466 [0,1,0,0,0,0|1,0,2]=4 283 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 34a_100000212291_100009816466 [0,1,0,0,0,0|1,0,2]=4 284 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011214924 [0,1,0,0,0,0|1,0,2]=4 285 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000210712_100009816466 [0,1,0,0,0,0|1,0,2]=4 286 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210328 [0,1,0,0,0,0|1,0,2]=4 287 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000210712_100009816466 [0,1,0,0,0,0|1,0,2]=4 288 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 2230a_100000229939_100009815986 [0,1,0,0,0,0|1,0,2]=4 289 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 34a_100000229939_100009815986 [0,1,0,0,0,0|1,0,2]=4 290 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100000210232_100009815986 [0,1,0,0,0,0|1,0,2]=4 291 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210759 [0,1,0,0,0,0|1,0,2]=4 292 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100000210232_100009815986 [0,1,0,0,0,0|1,0,2]=4 293 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210759 [0,1,0,0,0,0|1,0,2]=4 294 B18R0.171 CCCCCCCNCCCCCCCC(=O)OC 2230a_100000229938_100010004213 [0,1,0,0,0,0|1,0,1]=3 295 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100000210272_100010004213 [0,1,0,0,0,0|1,0,1]=3 296 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210614 [0,1,0,0,0,0|1,0,1]=3 297 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100000210272_100010004213 [0,1,0,0,0,0|1,0,1]=3 298 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210614 [0,1,0,0,0,0|1,0,1]=3 299 B18R0.171 CCCCCCNCCCCCCCCC(=O)OC 2230a_100000210581_100010282707 [0,1,0,0,0,0|1,0,1]=3 300 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210314 [0,1,0,0,0,0|1,0,1]=3 301 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000210259_100010282707 [0,1,0,0,0,0|1,0,1]=3 302 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210314 [0,1,0,0,0,0|1,0,1]=3 303 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000210259_100010282707 [0,1,0,0,0,0|1,0,1]=3 304 B18R0.171 CCCCCCOCCOCCCCCC(=O)OC 34a_100000691444_100009816466 [0,1,0,0,0,0|2,0,1]=4 305 B18R0.171 CCCCCCOCCOCCCCCC(=O)OC 7a_100000691444_100009816466 [0,1,0,0,0,0|2,0,1]=4 306 B18R0.171 CCCCCNCCCCCCCCCC(=O)OC 2230a_100000209983_100009813843 [0,1,0,0,0,0|1,0,2]=4 307 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 34a_100000210253_100009813843 [0,1,0,0,0,0|1,0,2]=4 308 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 7a_100000210253_100009813843 [0,1,0,0,0,0|1,0,2]=4 309 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 2230a_100000102301_100009812566 [0,1,0,0,0,0|1,0,2]=4 310 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 7a_106832991798_100009812566 [0,1,0,0,0,0|1,0,2]=4 311 B18R0.171 CCCCNN=CCCCCCCCCC(=O)OC 4a_100025702795_200010166605 [0,1,0,0,0,0|2,0,1]=4 312 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100000210227_100009812566 [0,1,0,0,0,0|1,0,2]=4 313 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210210 [0,1,0,0,0,0|1,0,2]=4 314 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100000210227_100009812566 [0,1,0,0,0,0|1,0,2]=4 315 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210211 [0,1,0,0,0,0|1,0,2]=4 316 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 34a_100000210238_100010004213 [0,1,0,0,0,0|2,0,1]=4 317 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 34a_100011022521_100000743108 [0,1,0,0,0,0|2,0,1]=4 318 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 7a_100000210238_100010004213 [0,1,0,0,0,0|2,0,1]=4 319 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 7a_100011022521_100000743108 [0,1,0,0,0,0|2,0,1]=4 320 B18R0.171 CCCCOCCSCCCCCCCC(=O)OC 62a_100000743108_100010004213 [0,1,0,0,0,0|2,0,1]=4 321 B18R0.171 CCCCOCCSCCCCCCCC(=O)OC 62a_100010004213_100000743108 [0,1,0,0,0,0|2,0,1]=4 322 B18R0.171 CCCCOCOCCCCCCCCC(=O)OC 34a_100000035544_100011995733 [0,1,0,0,0,0|2,0,1]=4 323 B18R0.171 CCCCOCSCCCCCCCCC(=O)OC 62a_100010282707_100011995733 [0,1,0,0,0,0|2,0,1]=4 324 B18R0.171 CCCCOCSCCCCCCCCC(=O)OC 62a_100011995733_100010282707 [0,1,0,0,0,0|2,0,1]=4 325 B18R0.171 CCCCSCCNCCCCCCCC(=O)OC 2230a_100025743550_100010004213 [0,1,0,0,0,0|2,0,1]=4 326 B18R0.171 CCCCSCCOCCCCCCCC(=O)OC 34a_200000230436_100010004213 [0,1,0,0,0,0|2,0,1]=4 327 B18R0.171 CCCCSCCOCCCCCCCC(=O)OC 7a_200000230436_100010004213 [0,1,0,0,0,0|2,0,1]=4 328 B18R0.171 CCCOCCCCCCCCCCCC(=O)OC 34a_100000210258_100010983606 [0,1,0,0,0,0|1,0,2]=4 329 B18R0.171 CCCOCCCNCCCCCCCC(=O)OC 2230a_100011217757_100010004213 [0,1,0,0,0,0|2,0,1]=4 330 B18R0.171 CCCOCCCNCCCCCCCC(=O)OC 34a_100011217757_100010004213 [0,1,0,0,0,0|2,0,1]=4 331 B18R0.171 CCCOCCNCCCCCCCCC(=O)OC 2230a_100161115042_100010282707 [0,1,0,0,0,0|2,0,1]=4 332 B18R0.171 CCCOCCNCCCCCCCCC(=O)OC 34a_100161115042_100010282707 [0,1,0,0,0,0|2,0,1]=4 333 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 34a_100000035544_100011215938 [0,1,0,0,0,0|2,0,1]=4 334 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 34a_100000752267_100010282707 [0,1,0,0,0,0|2,0,1]=4 335 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 7a_100000035544_100011215938 [0,1,0,0,0,0|2,0,1]=4 336 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 7a_100000752267_100010282707 [0,1,0,0,0,0|2,0,1]=4 337 B18R0.171 CCCOCCSCCCCCCCCC(=O)OC 62a_100010282707_100011215938 [0,1,0,0,0,0|2,0,1]=4 338 B18R0.171 CCCOCCSCCCCCCCCC(=O)OC 62a_100011215938_100010282707 [0,1,0,0,0,0|2,0,1]=4 339 B18R0.171 CCCSCCNCCCCCCCCC(=O)OC 2230a_100020603323_100010282707 [0,1,0,0,0,0|2,0,1]=4 340 B18R0.171 CCCSCCOCCCCCCCCC(=O)OC 34a_200000230433_100010282707 [0,1,0,0,0,0|2,0,1]=4 341 B18R0.171 CCCSCCOCCCCCCCCC(=O)OC 7a_200000230433_100010282707 [0,1,0,0,0,0|2,0,1]=4 342 B18R0.171 CCNCCCCCCCCCCCCC(=O)OC 2230a_100015525214_209314222159 [0,1,0,0,0,0|1,0,2]=4 343 B18R0.171 CCOCCCCCCCCCCCCC(=O)OC 34a_100121572206_209314222159 [0,1,0,0,0,0|1,0,2]=4 344 B18R0.171 CCOCCCNCCCCCCCCC(=O)OC 2230a_100000210961_100010282707 [0,1,0,0,0,0|2,0,1]=4 345 B18R0.171 CCOCCCNCCCCCCCCC(=O)OC 34a_100000210961_100010282707 [0,1,0,0,0,0|2,0,1]=4 346 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 34a_100000035544_100012232248 [0,1,0,0,0,0|2,0,1]=4 347 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 34a_100000757476_100010282707 [0,1,0,0,0,0|2,0,1]=4 348 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 7a_100000035544_100012232248 [0,1,0,0,0,0|2,0,1]=4 349 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 7a_100000757476_100010282707 [0,1,0,0,0,0|2,0,1]=4 350 B18R0.171 CCOCCCSCCCCCCCCC(=O)OC 62a_100010282707_100012232248 [0,1,0,0,0,0|2,0,1]=4 351 B18R0.171 CCOCCCSCCCCCCCCC(=O)OC 62a_100012232248_100010282707 [0,1,0,0,0,0|2,0,1]=4 352 B18R0.171 CCSCCCOCCCCCCCCC(=O)OC 34a_100011216438_100010282707 [0,1,0,0,0,0|2,0,1]=4 353 B18R0.171 CCSCCCOCCCCCCCCC(=O)OC 7a_100011216438_100010282707 [0,1,0,0,0,0|2,0,1]=4 354 B18R0.171 CNCCCCCOCCCCCCCC(=O)OC 34a_100000722520_100010004213 [0,1,0,0,0,0|2,0,1]=4 355 B18R0.171 COC(=O)CCCCCCCCNCCCCCO 2230a_100000762737_100010282707 [0,1,0,0,0,0|2,0,1]=4 356 B18R0.171 COC(=O)CCCCCCCCNCCCCCO 34a_100000762737_100010282707 [0,1,0,0,0,0|2,0,1]=4 357 B18R0.171 COC(=O)CCCCCCCCOCCCCCBr 34a_100000746331_100010282707 [0,1,0,0,0,0|2,0,1]=4 358 B18R0.171 COC(=O)CCCCCCCCOCCCCCBr 7a_100000746331_100010282707 [0,1,0,0,0,0|2,0,1]=4 359 B18R0.171 COC(=O)CCCCCCCCOCCCCCCl 34a_100000746330_100010282707 [0,1,0,0,0,0|2,0,1]=4 360 B18R0.171 COC(=O)CCCCCCCCOCCCCCCl 7a_100000746330_100010282707 [0,1,0,0,0,0|2,0,1]=4 361 B18R0.171 COC(=O)CCCCCCCCOCCCCCF 34a_100000035544_100000729378 [0,1,0,0,0,0|2,0,1]=4 362 B18R0.171 COC(=O)CCCCCCCCOCCCCCF 7a_100000035544_100000729378 [0,1,0,0,0,0|2,0,1]=4 363 B18R0.171 COC(=O)CCCCCCCCOCCCCCI 34a_200012148887_100010282707 [0,1,0,0,0,0|2,0,1]=4 364 B18R0.171 COC(=O)CCCCCCCCOCCCCCI 7a_200012148887_100010282707 [0,1,0,0,0,0|2,0,1]=4 365 B18R0.171 COC(=O)CCCCCCCCOCCCCCN 34a_100000762737_100010282707 [0,1,0,0,0,0|2,0,1]=4 366 B18R0.171 COC(=O)CCCCCCCCOCCCCCO 34a_100000035544_100000746330 [0,1,0,0,0,0|2,0,1]=4 367 B18R0.171 COC(=O)CCCCCCCCOCCCCCO 7a_100000035544_100000746330 [0,1,0,0,0,0|2,0,1]=4 368 B18R0.171 COC(=O)CCCCCCCCOCCCCSC 34a_100011217163_100010282707 [0,1,0,0,0,0|2,0,1]=4 369 B18R0.171 COC(=O)CCCCCCCCOCCCCSC 7a_100011217163_100010282707 [0,1,0,0,0,0|2,0,1]=4 370 B18R0.171 COC(=O)CCCCCCCCSCCCCCF 62a_100000729378_100010282707 [0,1,0,0,0,0|2,0,1]=4 371 B18R0.171 COC(=O)CCCCCCCCSCCCCCF 62a_100010282707_100000729378 [0,1,0,0,0,0|2,0,1]=4 372 B18R0.171 COC(=O)CCCCCCCCSCCCCCO 62a_100000746330_100010282707 [0,1,0,0,0,0|2,0,1]=4 373 B18R0.171 COC(=O)CCCCCCCCSCCCCCO 62a_100010282707_100000746330 [0,1,0,0,0,0|2,0,1]=4 374 B18R0.171 COC(=O)CCCCCCCNCCCCCCO 2230a_100000686447_100010004213 [0,1,0,0,0,0|2,0,1]=4 375 B18R0.171 COC(=O)CCCCCCCNCCCCCCO 34a_100000686447_100010004213 [0,1,0,0,0,0|2,0,1]=4 376 B18R0.171 COC(=O)CCCCCCCOCCCCCCBr 34a_100011215345_100010004213 [0,1,0,0,0,0|2,0,1]=4 377 B18R0.171 COC(=O)CCCCCCCOCCCCCCBr 7a_100011215345_100010004213 [0,1,0,0,0,0|2,0,1]=4 378 B18R0.171 COC(=O)CCCCCCCOCCCCCCCl 34a_100000766143_100010004213 [0,1,0,0,0,0|2,0,1]=4 379 B18R0.171 COC(=O)CCCCCCCOCCCCCCCl 7a_100000766143_100010004213 [0,1,0,0,0,0|2,0,1]=4 380 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 34a_100000732779_100010004213 [0,1,0,0,0,0|2,0,1]=4 381 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 34a_100011022521_100015922095 [0,1,0,0,0,0|2,0,1]=4 382 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 7a_100000732779_100010004213 [0,1,0,0,0,0|2,0,1]=4 383 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 7a_100011022521_100015922095 [0,1,0,0,0,0|2,0,1]=4 384 B18R0.171 COC(=O)CCCCCCCOCCCCCCN 34a_100000686447_100010004213 [0,1,0,0,0,0|2,0,1]=4 385 B18R0.171 COC(=O)CCCCCCCOCCCCCCO 34a_100011022521_100000766143 [0,1,0,0,0,0|2,0,1]=4 386 B18R0.171 COC(=O)CCCCCCCOCCCCCCO 7a_100011022521_100000766143 [0,1,0,0,0,0|2,0,1]=4 387 B18R0.171 COC(=O)CCCCCCCSCCCCCCF 62a_100010004213_100015922095 [0,1,0,0,0,0|2,0,1]=4 388 B18R0.171 COC(=O)CCCCCCCSCCCCCCF 62a_100015922095_100010004213 [0,1,0,0,0,0|2,0,1]=4 389 B18R0.171 COC(=O)CCCCCCCSCCCCCCO 62a_100000766143_100010004213 [0,1,0,0,0,0|2,0,1]=4 390 B18R0.171 COC(=O)CCCCCCCSCCCCCCO 62a_100010004213_100000766143 [0,1,0,0,0,0|2,0,1]=4 391 B18R0.171 COCCCCCNCCCCCCCC(=O)OC 2230a_100000747528_100010004213 [0,1,0,0,0,0|2,0,1]=4 392 B18R0.171 COCCCCCNCCCCCCCC(=O)OC 34a_100000747528_100010004213 [0,1,0,0,0,0|2,0,1]=4 393 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000755781 [0,1,0,0,0,0|2,0,1]=4 394 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 34a_100000740925_100010282707 [0,1,0,0,0,0|2,0,1]=4 395 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000730899 [0,1,0,0,0,0|2,0,1]=4 396 B18R0.171 COCCCCSCCCCCCCCC(=O)OC 62a_100000730899_100010282707 [0,1,0,0,0,0|2,0,1]=4 397 B18R0.171 COCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000730899 [0,1,0,0,0,0|2,0,1]=4 398 B18R0.174 CCCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210684 [0,1,0,0,0,0|1,0,2]=4 399 B18R0.174 CCCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000759014 [0,1,0,0,0,0|1,0,2]=4 400 B18R0.174 CCCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000759014 [0,1,0,0,0,0|1,0,2]=4 401 B18R0.176 CCCCC/C=C/C=C/COCCCCCC(=O)N 34a_200014065772_100009817443 [0,1,0,0,0,0|1,0,2]=4 402 B18R0.176 CCCCC/C=C/C=C/COCCCCCC(=O)N 7a_200014065772_100009817443 [0,1,0,0,0,0|1,0,2]=4 403 B18R0.176 CCCCC/C=C\CCCOCCCCCC(=O)N 34a_100020655193_100009817443 [0,1,0,0,0,0|1,0,2]=4 404 B18R0.176 CCCCC/C=C\CCCOCCCCCC(=O)N 7a_100020655193_100009817443 [0,1,0,0,0,0|1,0,2]=4 405 B18R0.176 CCCCCC/C=C/C=C/COCCCCC(=O)C 34a_200028454808_100009817362 [0,1,0,0,0,0|1,0,2]=4 406 B18R0.176 CCCCCC/C=C/C=C/COCCCCC(=O)C 7a_200028454808_100000735457 [0,1,0,0,0,0|1,0,2]=4 407 B18R0.176 CCCCCC/C=C/COCCCCCCB(O)O 34a_200016276170_100009817187 [0,1,0,0,0,0|1,0,1]=3 408 B18R0.176 CCCCCC/C=C/COCCCCCCB(O)O 7a_200016276170_100009817187 [0,1,0,0,0,0|1,0,1]=3 409 B18R0.176 CCCCCC/C=C/COCCCCCOC(=O)C 34a_200016276170_100000033007 [0,1,0,0,0,0|2,0,0]=3 410 B18R0.176 CCCCCC/C=C/COCCCCCOC(=O)C 7a_200016276170_100000033007 [0,1,0,0,0,0|2,0,0]=3 411 B18R0.176 CCCCCC/C=C/COCCOCCOC(=O)C 34a_200016276170_200000083610 [0,1,0,0,0,0|3,0,0]=4 412 B18R0.176 CCCCCC/C=C/COCCOCCOC(=O)C 7a_200016276170_200000083610 [0,1,0,0,0,0|3,0,0]=4 413 B18R0.176 CCCCCCC#CCCOCCCCCC(=O)N 34a_200000033163_100009817443 [0,1,0,0,0,0|1,0,2]=4 414 B18R0.176 CCCCCCC#CCCOCCCCCC(=O)N 7a_200000033163_100009817443 [0,1,0,0,0,0|1,0,2]=4 415 B18R0.182 CCCCCC/C=C/COCCCCCC(C)(C)O 34a_200016276170_100010402123 [0,1,0,0,0,0|2,0,1]=4 416 B18R0.182 CCCCCC/C=C/COCCCCCC(C)(C)O 7a_200016276170_100010402123 [0,1,0,0,0,0|2,0,1]=4 417 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210684 [0,1,0,0,0,0|1,0,2]=4 418 B18R0.220 CCCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215454 [0,1,0,0,0,0|1,0,2]=4 419 B18R0.233 CCCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215454 [0,1,0,0,0,0|1,0,2]=4 420 B18R0.7250 CCCCCCNC(=O)COCCCCCC(=O)N 34a_100000123541_100000230325 [0,1,0,0,0,0|3,0,0]=4 421 B18R0.7250 CCCCCCNC(=O)COCCCCCC(=O)N 7a_100000123541_100000230325 [0,1,0,0,0,0|3,0,0]=4 422 B18R0.7250 CCCCCCNC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000230325 [0,1,0,0,0,0|2,0,1]=4 423 B18R0.7250 CCCCCCNC(=O)CSCCCCCC(=O)N 62a_100000230325_100009817443 [0,1,0,0,0,0|3,0,0]=4 424 B18R0.11628 CCCCCC/C=C/CC(=O)CCCCCB(O)O 1458a_100020681715_200009817188 [0,1,0,0,0,0|1,0,2]=4 425 B18R0.11628 CCCCCC/C=C/CC(=O)CCCCCC(=O)N 1458a_100020681715_100009817443 [0,1,0,0,0,0|1,0,1]=3 426 B18R0.11628 CCCCCC/C=C/CC(=O)CCCCOC(=O)C 1458a_100020681715_100000033659 [0,1,0,0,0,0|2,0,1]=4 427 B18R0.11628 CCCCCC/C=C/CC(=O)CCCCSC(=O)C 1458a_100020681715_200010402107 [0,1,0,0,0,0|2,0,1]=4 428 B18R0.11628 CCCCCC/C=C/CC(=O)NCCCCC(=O)N 11a_100000696515_100020681715 [0,1,0,0,0,0|2,0,1]=4 429 B18R0.11628 CCCCCC/C=C/CC(=O)NCCCCC(=O)N 1626a_100000696515_100020681715 [0,1,0,0,0,0|2,0,1]=4 430 B18R0.11628 CCCCCC/C=C/CC(=O)NCCCCC(=O)N 240690a_100000696515_100020681715 [0,1,0,0,0,0|2,0,1]=4 431 B18R0.19183 CCCCCC/C=C\CCCCC(C)NCC(C)O 270004a_100000210904_100020676974 [0,1,0,0,0,0|2,0,1]=4 432 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011217028 [0,1,0,0,0,0|1,0,2]=4 433 B18R1.1260 CCCCCC/C=C/COCCC1COS(=O)O1 7a_200016276170_100009840081 [0,0,0,1,0,0|3,0,0]=4 434 B18R1.4119 CCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210614 [0,0,0,1,0,0|1,0,1]=3 435 B18R1.4119 CCCCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000743108 [0,0,0,1,0,0|2,0,1]=4 436 B18R1.4119 O=C(O)CCC1CCCCN1CCCCCCF 269956a_100000694054_100015922095 [0,0,0,1,0,0|2,0,1]=4 437 B18R1.4119 O=C(O)CCC1CCCCN1CCCCCCO 269956a_100000694054_100000766143 [0,0,0,1,0,0|2,0,1]=4 438 B18R1.5438 CCCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210670 [0,0,0,1,0,0|1,0,2]=4 439 B18R1.5438 CCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210759 [0,0,0,1,0,0|1,0,2]=4 440 B18R1.13145 CCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215454 [0,0,0,1,0,0|1,0,2]=4 441 B18R1.21929 CCCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210320 [0,0,0,1,0,0|1,0,2]=4 442 B18R1.22565 CCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210759 [0,0,0,1,0,0|1,0,2]=4 443 B18R1.36057 CCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210757 [0,0,0,1,0,0|1,0,1]=3 444 B18R1.36057 CCCCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011995733 [0,0,0,1,0,0|2,0,1]=4 445 B18R1.36057 CCCOCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215938 [0,0,0,1,0,0|2,0,1]=4 446 B18R1.36057 CCOCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100012232248 [0,0,0,1,0,0|2,0,1]=4 447 B18R1.36057 COCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000730899 [0,0,0,1,0,0|2,0,1]=4 448 B18R1.36057 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCF 269956a_200049070474_100000729378 [0,0,0,1,0,0|2,0,1]=4 449 B18R1.36057 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCO 269956a_200049070474_100000746330 [0,0,0,1,0,0|2,0,1]=4 450 B15R0.70 C=CCCCCCCCNCCCCCC 2230a_100000210581_100012355270 [2,0,0,0,0,0|2,0,0]=4 451 B15R0.70 C=CCCCCCOC/C=C/CCCCC 34a_100016258190_100000700193 [2,0,0,0,0,0|2,0,0]=4 452 B15R0.70 C=CCCCCCOC/C=C/CCCCC 7a_100016258190_100000700193 [2,0,0,0,0,0|2,0,0]=4 453 B15R0.70 C=CCCCCOC/C=C/CCCCCC 34a_200016276170_100011215482 [2,0,0,0,0,0|1,0,1]=4 454 B15R0.70 C=CCCCCOC/C=C/CCCCCC 7a_200016276170_100011215482 [2,0,0,0,0,0|1,0,1]=4 455 B15R0.70 C=CCCCCOCC/C=C\CCCCC 34a_100016277358_100011215482 [2,0,0,0,0,0|2,0,0]=4 456 B15R0.70 C=CCCCCOCC/C=C\CCCCC 7a_100016277358_100011215482 [2,0,0,0,0,0|2,0,0]=4 457 B15R0.70 C=CCCCOCCC/C=C\CCCCC 34a_100020655193_100000757094 [2,0,0,0,0,0|2,0,0]=4 458 B15R0.70 C=CCCCOCCC/C=C\CCCCC 7a_100020655193_100000757094 [2,0,0,0,0,0|2,0,0]=4 459 B15R0.70 CCCCC/C=C/COCCCCCC=O 7a_100016258190_100000139337 [2,0,0,0,0,0|1,0,0]=3 460 B15R0.70 CCCCC/C=C/COCCCCCCO 34a_100016258190_100000766143 [2,0,0,0,0,0|1,0,1]=4 461 B15R0.70 CCCCC/C=C/COCCCCCCO 7a_100016258190_100000766143 [2,0,0,0,0,0|1,0,1]=4 462 B15R0.70 CCCCC/C=C\CCCOCCCC=O 7a_100020655193_200011292268 [2,0,0,0,0,0|1,0,0]=3 463 B15R0.70 CCCCC/C=C\CCCOCCCCO 34a_100020655193_100011216708 [2,0,0,0,0,0|1,0,1]=4 464 B15R0.70 CCCCC/C=C\CCCOCCCCO 7a_100020655193_100000210776 [2,0,0,0,0,0|1,0,1]=4 465 B15R0.70 CCCCC/C=C\CCOCCCCC=O 7a_100016277358_100000139335 [2,0,0,0,0,0|1,0,0]=3 466 B15R0.70 CCCCC/C=C\CCOCCCCCO 34a_100016277358_100000746330 [2,0,0,0,0,0|1,0,1]=4 467 B15R0.70 CCCCC/C=C\CCOCCCCCO 7a_100016277358_100000746330 [2,0,0,0,0,0|1,0,1]=4 468 B15R0.70 CCCCCC/C=C/COCCCCC=O 7a_200016276170_100000139335 [2,0,0,0,0,0|1,0,0]=3 469 B15R0.70 CCCCCC/C=C/COCCCCCF 34a_200016276170_100000729378 [2,0,0,0,0,0|2,0,0]=4 470 B15R0.70 CCCCCC/C=C/COCCCCCF 7a_200016276170_100000729378 [2,0,0,0,0,0|2,0,0]=4 471 B15R0.70 CCCCCC/C=C/COCCCCCO 34a_200016276170_100000746330 [2,0,0,0,0,0|1,0,0]=3 472 B15R0.70 CCCCCC/C=C/COCCCCCO 7a_200016276170_100000746330 [2,0,0,0,0,0|1,0,0]=3 473 B15R0.70 CCCCCC/C=C/COCCOCCO 34a_200016276170_100000692535 [2,0,0,0,0,0|2,0,0]=4 474 B15R0.70 CCCCCC/C=C/COCCOCCO 7a_200016276170_100011215305 [2,0,0,0,0,0|2,0,0]=4 475 B15R0.70 CCCCCCCCCCCCNCC=O 2230a_100000210451_200015260668 [2,0,0,0,0,0|1,0,1]=4 476 B15R0.70 CCCCCCCCCCCCNCC=O 34a_100000210451_200009817547 [2,0,0,0,0,0|1,0,1]=4 477 B15R0.70 CCCCCCCCCCCCOCC=O 34a_100000210810_200009817547 [2,0,0,0,0,0|1,0,1]=4 478 B15R0.70 CCCCCCCCCCCCOCC=O 7a_100000210810_200015260668 [2,0,0,0,0,0|1,0,1]=4 479 B15R0.70 CCCCCCCCCCCCSCC=O 62a_200015260668_100000759014 [2,0,0,0,0,0|1,0,1]=4 480 B15R0.70 CCCCCCCCCCNCCCC=O 2230a_100000684558_200011292268 [2,0,0,0,0,0|1,0,1]=4 481 B15R0.70 CCCCCCCCCCOCCCC=O 7a_100000210711_200011292268 [2,0,0,0,0,0|1,0,1]=4 482 B15R0.70 CCCCCCCCCCSCCCC=O 62a_200011292268_100000210320 [2,0,0,0,0,0|1,0,1]=4 483 B15R0.70 CCCCCCCCCNCCCCC=O 2230a_100000212291_100000139335 [2,0,0,0,0,0|1,0,1]=4 484 B15R0.70 CCCCCCCCCOCCCCC=O 7a_100000210712_100000139335 [2,0,0,0,0,0|1,0,1]=4 485 B15R0.70 CCCCCCCCCSCCCCC=O 62a_100000139335_100000210670 [2,0,0,0,0,0|1,0,1]=4 486 B15R0.70 CCCCCCCCNCCCCCC=O 2230a_100000229939_100000139337 [2,0,0,0,0,0|1,0,1]=4 487 B15R0.70 CCCCCCCCOCCCCCC=O 7a_100000210232_100000139337 [2,0,0,0,0,0|1,0,1]=4 488 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000139337_100000210317 [2,0,0,0,0,0|1,0,1]=4 489 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000210759_100000139337 [2,0,0,0,0,0|1,0,1]=4 490 B15R0.70 CCCCCCCNCCCCCCCO 2230a_100000229938_100000760002 [2,0,0,0,0,0|1,0,1]=4 491 B15R0.70 CCCCCCCNCCCCCCCO 2230a_100011996573_100000210681 [2,0,0,0,0,0|1,0,1]=4 492 B15R0.70 CCCCCCCNCCCCCCCO 34a_100011996573_100000210614 [2,0,0,0,0,0|1,0,1]=4 493 B15R0.70 CCCCCCCOCCCCCCCO 34a_100000210272_100000760002 [2,0,0,0,0,0|1,0,1]=4 494 B15R0.70 CCCCCCCOCCCCCCCO 7a_100000210272_100000760002 [2,0,0,0,0,0|1,0,1]=4 495 B15R0.70 CCCCCCCSCCCCCCCO 62a_100000210614_100000760002 [2,0,0,0,0,0|1,0,1]=4 496 B15R0.70 CCCCCCCSCCCCCCCO 62a_100000760002_100000210316 [2,0,0,0,0,0|1,0,1]=4 497 B15R0.70 CCCCCCNCCCCCCCCO 2230a_100000210581_100000033203 [2,0,0,0,0,0|1,0,1]=4 498 B15R0.70 CCCCCCNCCCCCCCCO 2230a_102515433106_100000210314 [2,0,0,0,0,0|1,0,1]=4 499 B15R0.70 CCCCCCNCCCCCCCCO 34a_102515433106_100000210314 [2,0,0,0,0,0|1,0,1]=4 500 B15R0.70 CCCCCCOCCCCCCCCO 34a_100000210259_100000033203 [2,0,0,0,0,0|1,0,1]=4 501 B15R0.70 CCCCCCOCCCCCCCCO 7a_100000210259_100000033203 [2,0,0,0,0,0|1,0,1]=4 502 B15R0.70 CCCCCCOCCOCCCCC=O 7a_100000691444_100000139335 [2,0,0,0,0,0|2,0,0]=4 503 B15R0.70 CCCCCCSCCCCCCCCO 62a_100000033203_100000210757 [2,0,0,0,0,0|1,0,1]=4 504 B15R0.70 CCCCCCSCCCCCCCCO 62a_100000210314_100000033203 [2,0,0,0,0,0|1,0,1]=4 505 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [2,0,0,0,0,0|2,0,0]=4 506 B15R0.164 CCCC/C=C/CCCCOCCC(=O)C 7a_200020645093_100000053229 [2,0,0,0,0,0|2,0,0]=4 507 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 34a_200020645093_100000731001 [2,0,0,0,0,0|2,0,0]=4 508 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 7a_200020645093_100000744528 [2,0,0,0,0,0|2,0,0]=4 509 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 34a_200016272032_100009817443 [2,0,0,0,0,0|2,0,0]=4 510 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 7a_200016272032_100009817443 [2,0,0,0,0,0|2,0,0]=4 511 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 34a_200016286491_100009817362 [2,0,0,0,0,0|2,0,0]=4 512 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 7a_200016286491_100000735457 [2,0,0,0,0,0|2,0,0]=4 513 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 34a_100016258190_100009817362 [2,0,0,0,0,0|2,0,0]=4 514 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 7a_100016258190_100000735457 [2,0,0,0,0,0|2,0,0]=4 515 B15R0.164 CCCCC/C=C\CCCOCCC(=O)C 7a_100020655193_100000053229 [2,0,0,0,0,0|2,0,0]=4 516 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 34a_100020655193_100000731001 [2,0,0,0,0,0|2,0,0]=4 517 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 7a_100020655193_100000744528 [2,0,0,0,0,0|2,0,0]=4 518 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 34a_100016277358_100000685027 [2,0,0,0,0,0|2,0,0]=4 519 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 7a_100016277358_100011215641 [2,0,0,0,0,0|2,0,0]=4 520 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 34a_100016277358_100102525003 [2,0,0,0,0,0|2,0,0]=4 521 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 7a_100016277358_100102525003 [2,0,0,0,0,0|2,0,0]=4 522 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 34a_200016276170_100000685027 [2,0,0,0,0,0|2,0,0]=4 523 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 7a_200016276170_100011215641 [2,0,0,0,0,0|2,0,0]=4 524 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 34a_200016276170_100102525003 [2,0,0,0,0,0|2,0,0]=4 525 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 7a_200016276170_100102525003 [2,0,0,0,0,0|2,0,0]=4 526 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [2,0,0,0,0,0|2,0,0]=4 527 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [2,0,0,0,0,0|2,0,0]=4 528 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [2,0,0,0,0,0|2,0,0]=4 529 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [2,0,0,0,0,0|2,0,0]=4 530 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [2,0,0,0,0,0|2,0,0]=4 531 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [2,0,0,0,0,0|2,0,0]=4 532 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [2,0,0,0,0,0|2,0,0]=4 533 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [2,0,0,0,0,0|1,0,0]=3 534 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [2,0,0,0,0,0|1,0,1]=4 535 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [2,0,0,0,0,0|2,0,0]=4 536 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [2,0,0,0,0,0|2,0,0]=4 537 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [2,0,0,0,0,0|2,0,0]=4 538 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [2,0,0,0,0,0|1,0,1]=4 539 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [2,0,0,0,0,0|2,0,0]=4 540 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [2,0,0,0,0,0|1,0,1]=4 541 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [2,0,0,0,0,0|2,0,0]=4 542 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [2,0,0,0,0,0|2,0,0]=4 543 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [2,0,0,0,0,0|2,0,0]=4 544 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [2,0,0,0,0,0|2,0,0]=4 545 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [2,0,0,0,0,0|2,0,0]=4 546 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [2,0,0,0,0,0|2,0,0]=4 547 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [2,0,0,0,0,0|2,0,0]=4 548 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [2,0,0,0,0,0|2,0,0]=4 549 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [2,0,0,0,0,0|2,0,0]=4 550 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [2,0,0,0,0,0|2,0,0]=4 551 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [2,0,0,0,0,0|2,0,0]=4 552 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [2,0,0,0,0,0|2,0,0]=4 553 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [2,0,0,0,0,0|2,0,0]=4 554 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [2,0,0,0,0,0|2,0,0]=4 555 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [2,0,0,0,0,0|2,0,0]=4 556 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [2,0,0,0,0,0|2,0,0]=4 557 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [2,0,0,0,0,0|2,0,0]=4 558 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [2,0,0,0,0,0|2,0,0]=4 559 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [2,0,0,0,0,0|2,0,0]=4 560 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [2,0,0,0,0,0|2,0,0]=4 561 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [2,0,0,0,0,0|2,0,0]=4 562 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [2,0,0,0,0,0|2,0,0]=4 563 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [2,0,0,0,0,0|2,0,0]=4 564 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [2,0,0,0,0,0|2,0,0]=4 565 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [2,0,0,0,0,0|2,0,0]=4 566 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [2,0,0,0,0,0|2,0,0]=4 567 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [2,0,0,0,0,0|2,0,0]=4 568 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [2,0,0,0,0,0|2,0,0]=4 569 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [2,0,0,0,0,0|2,0,0]=4 570 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [2,0,0,0,0,0|2,0,0]=4 571 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [2,0,0,0,0,0|2,0,0]=4 572 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [2,0,0,0,0,0|2,0,0]=4 573 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [2,0,0,0,0,0|2,0,0]=4 574 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [2,0,0,0,0,0|2,0,0]=4 575 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [2,0,0,0,0,0|2,0,0]=4 576 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [2,0,0,0,0,0|2,0,0]=4 577 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [2,0,0,0,0,0|2,0,0]=4 578 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [2,0,0,0,0,0|1,0,1]=4 579 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [2,0,0,0,0,0|2,0,0]=4 580 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [2,0,0,0,0,0|2,0,0]=4 581 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [2,0,0,0,0,0|2,0,0]=4 582 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [2,0,0,0,0,0|2,0,0]=4 583 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [2,0,0,0,0,0|2,0,0]=4 584 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [2,0,0,0,0,0|2,0,0]=4 585 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [2,0,0,0,0,0|2,0,0]=4 586 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210320 [1,1,0,0,0,0|1,0,1]=4 587 B17R0.101 CCCCC/C=C/CC(=O)CCCCCC(=O)N 1458a_100020675968_100009817443 [1,1,0,0,0,0|1,0,1]=4 588 B17R0.101 CCCCCCC=CC(=O)CCCCCC(=O)N 1458a_200015324643_100009817443 [1,1,0,0,0,0|1,0,1]=4 589 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000759014 [1,1,0,0,0,0|1,0,1]=4 590 B17R0.116 CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210320 [1,1,0,0,0,0|1,0,1]=4 591 B17R0.195 CCCCC/C=C/COCCCCCC(=O)OC 34a_100016258190_100009816466 [1,1,0,0,0,0|1,0,0]=3 592 B17R0.195 CCCCC/C=C/COCCCCCC(=O)OC 7a_100016258190_100009816466 [1,1,0,0,0,0|1,0,0]=3 593 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)NC 34a_100020655193_100000741757 [1,1,0,0,0,0|2,0,0]=4 594 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)NC 7a_100020655193_100000741757 [1,1,0,0,0,0|2,0,0]=4 595 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)OC 34a_100020655193_100000742333 [1,1,0,0,0,0|1,0,0]=3 596 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)OC 7a_100020655193_100011218270 [1,1,0,0,0,0|1,0,0]=3 597 B17R0.195 CCCCC/C=C\CCOCCCCC(=O)OC 34a_100016277358_100000204269 [1,1,0,0,0,0|1,0,0]=3 598 B17R0.195 CCCCC/C=C\CCOCCCCC(=O)OC 7a_100016277358_100000204269 [1,1,0,0,0,0|1,0,0]=3 599 B17R0.195 CCCCC/C=C\CCOCCOCC(=O)OC 34a_100016277358_100000090808 [1,1,0,0,0,0|2,0,0]=4 600 B17R0.195 CCCCC/C=C\CCOCCOCC(=O)OC 7a_100016277358_100000090808 [1,1,0,0,0,0|2,0,0]=4 601 B17R0.195 CCCCCC/C=C/COCCCCC(=O)OC 34a_200016276170_100000204269 [1,1,0,0,0,0|1,0,0]=3 602 B17R0.195 CCCCCC/C=C/COCCCCC(=O)OC 7a_200016276170_100000204269 [1,1,0,0,0,0|1,0,0]=3 603 B17R0.195 CCCCCC/C=C/COCCOCC(=O)OC 34a_200016276170_100000090808 [1,1,0,0,0,0|2,0,0]=4 604 B17R0.195 CCCCCC/C=C/COCCOCC(=O)OC 7a_200016276170_100000090808 [1,1,0,0,0,0|2,0,0]=4 605 B17R0.195 CCCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215471 [1,1,0,0,0,0|0,0,1]=3 606 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000297455 [1,1,0,0,0,0|1,0,1]=4 607 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000297455 [1,1,0,0,0,0|1,0,1]=4 608 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000297455 [1,1,0,0,0,0|1,0,1]=4 609 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 240690a_100011215765_100000210174 [1,1,0,0,0,0|1,0,1]=4 610 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 527a_100011215765_100000210174 [1,1,0,0,0,0|1,0,1]=4 611 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 2230a_100000210451_100000747449 [1,1,0,0,0,0|1,0,1]=4 612 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 34a_100000210451_100000747449 [1,1,0,0,0,0|1,0,1]=4 613 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 34a_100000210810_100000747449 [1,1,0,0,0,0|1,0,1]=4 614 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 7a_100000210810_100000747449 [1,1,0,0,0,0|1,0,1]=4 615 B17R0.195 CCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100000759014 [1,1,0,0,0,0|1,0,1]=4 616 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 2230a_200011215754_100000204255 [1,1,0,0,0,0|1,0,1]=4 617 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 34a_200011215754_100000742370 [1,1,0,0,0,0|1,0,1]=4 618 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 34a_100000210809_100000742370 [1,1,0,0,0,0|1,0,1]=4 619 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 7a_100000210809_100000204255 [1,1,0,0,0,0|1,0,1]=4 620 B17R0.195 CCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100011215454 [1,1,0,0,0,0|1,0,1]=4 621 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 2230a_100000684558_100011218270 [1,1,0,0,0,0|1,0,1]=4 622 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 34a_100000684558_100000742333 [1,1,0,0,0,0|1,0,1]=4 623 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 34a_100000210711_100000742333 [1,1,0,0,0,0|1,0,1]=4 624 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 7a_100000210711_100011218270 [1,1,0,0,0,0|1,0,1]=4 625 B17R0.195 CCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210320 [1,1,0,0,0,0|1,0,1]=4 626 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 2230a_100000212291_100000204269 [1,1,0,0,0,0|1,0,1]=4 627 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 34a_100000212291_100000204269 [1,1,0,0,0,0|1,0,1]=4 628 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100011214924 [1,1,0,0,0,0|1,0,1]=4 629 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000210712_100000204269 [1,1,0,0,0,0|1,0,1]=4 630 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210328 [1,1,0,0,0,0|1,0,1]=4 631 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000210712_100000204269 [1,1,0,0,0,0|1,0,1]=4 632 B17R0.195 CCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210670 [1,1,0,0,0,0|1,0,1]=4 633 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 2230a_100000229939_100009816466 [1,1,0,0,0,0|1,0,1]=4 634 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 34a_100000229939_100009816466 [1,1,0,0,0,0|1,0,1]=4 635 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210759 [1,1,0,0,0,0|1,0,1]=4 636 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000210232_100009816466 [1,1,0,0,0,0|1,0,1]=4 637 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210759 [1,1,0,0,0,0|1,0,1]=4 638 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000210232_100009816466 [1,1,0,0,0,0|1,0,1]=4 639 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100000210759_100009816466 [1,1,0,0,0,0|1,0,1]=4 640 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210317 [1,1,0,0,0,0|1,0,1]=4 641 B17R0.195 CCCCCCCNCCCCCCC(=O)OC 2230a_100000229938_100009815986 [1,1,0,0,0,0|1,0,1]=4 642 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100000210272_100009815986 [1,1,0,0,0,0|1,0,1]=4 643 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210614 [1,1,0,0,0,0|1,0,1]=4 644 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100000210272_100009815986 [1,1,0,0,0,0|1,0,1]=4 645 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210614 [1,1,0,0,0,0|1,0,1]=4 646 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100000210614_100009815986 [1,1,0,0,0,0|1,0,1]=4 647 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210316 [1,1,0,0,0,0|1,0,1]=4 648 B17R0.195 CCCCCCNCCCCCCCC(=O)OC 2230a_100000210581_100010004213 [1,1,0,0,0,0|1,0,0]=3 649 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100000210259_100010004213 [1,1,0,0,0,0|1,0,0]=3 650 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210314 [1,1,0,0,0,0|1,0,0]=3 651 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100000210259_100010004213 [1,1,0,0,0,0|1,0,0]=3 652 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210314 [1,1,0,0,0,0|1,0,0]=3 653 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 34a_100000691444_100000204269 [1,1,0,0,0,0|2,0,0]=4 654 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 7a_100000691444_100000204269 [1,1,0,0,0,0|2,0,0]=4 655 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100000210314_100010004213 [1,1,0,0,0,0|1,0,0]=3 656 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210757 [1,1,0,0,0,0|1,0,0]=3 657 B17R0.195 CCCCCNCCCCCCCCC(=O)OC 2230a_100000209983_100010282707 [1,1,0,0,0,0|1,0,1]=4 658 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000718602 [1,1,0,0,0,0|1,0,1]=4 659 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000210253_100010282707 [1,1,0,0,0,0|1,0,1]=4 660 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210326 [1,1,0,0,0,0|1,0,1]=4 661 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000210253_100010282707 [1,1,0,0,0,0|1,0,1]=4 662 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100000210326_100010282707 [1,1,0,0,0,0|1,0,1]=4 663 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210326 [1,1,0,0,0,0|1,0,1]=4 664 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 2230a_100000102301_100009813843 [1,1,0,0,0,0|1,0,1]=4 665 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 7a_106832991798_100009813843 [1,1,0,0,0,0|1,0,1]=4 666 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 34a_100000210227_100009813843 [1,1,0,0,0,0|1,0,1]=4 667 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 7a_100000210227_100009813843 [1,1,0,0,0,0|1,0,1]=4 668 B17R0.195 CCCCOCOCCCCCCCC(=O)OC 34a_100011022521_100011995733 [1,1,0,0,0,0|2,0,0]=4 669 B17R0.195 CCCCOCSCCCCCCCC(=O)OC 62a_100010004213_100011995733 [1,1,0,0,0,0|2,0,0]=4 670 B17R0.195 CCCCOCSCCCCCCCC(=O)OC 62a_100011995733_100010004213 [1,1,0,0,0,0|2,0,0]=4 671 B17R0.195 CCCCSCCCCCCCCCC(=O)OC 62a_100000210211_100009813843 [1,1,0,0,0,0|1,0,1]=4 672 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100000210258_100009812566 [1,1,0,0,0,0|1,0,1]=4 673 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210303 [1,1,0,0,0,0|1,0,1]=4 674 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210303 [1,1,0,0,0,0|1,0,1]=4 675 B17R0.195 CCCOCCNCCCCCCCC(=O)OC 2230a_100161115042_100010004213 [1,1,0,0,0,0|2,0,0]=4 676 B17R0.195 CCCOCCNCCCCCCCC(=O)OC 34a_100161115042_100010004213 [1,1,0,0,0,0|2,0,0]=4 677 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 34a_100000752267_100010004213 [1,1,0,0,0,0|2,0,0]=4 678 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 34a_100011022521_100011215938 [1,1,0,0,0,0|2,0,0]=4 679 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 7a_100000752267_100010004213 [1,1,0,0,0,0|2,0,0]=4 680 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 7a_100011022521_100011215938 [1,1,0,0,0,0|2,0,0]=4 681 B17R0.195 CCCOCCSCCCCCCCC(=O)OC 62a_100010004213_100011215938 [1,1,0,0,0,0|2,0,0]=4 682 B17R0.195 CCCOCCSCCCCCCCC(=O)OC 62a_100011215938_100010004213 [1,1,0,0,0,0|2,0,0]=4 683 B17R0.195 CCCSCCCCCCCCCCC(=O)OC 62a_100000210303_100009812566 [1,1,0,0,0,0|1,0,1]=4 684 B17R0.195 CCCSCCNCCCCCCCC(=O)OC 2230a_100020603323_100010004213 [1,1,0,0,0,0|2,0,0]=4 685 B17R0.195 CCCSCCOCCCCCCCC(=O)OC 34a_200000230433_100010004213 [1,1,0,0,0,0|2,0,0]=4 686 B17R0.195 CCCSCCOCCCCCCCC(=O)OC 7a_200000230433_100010004213 [1,1,0,0,0,0|2,0,0]=4 687 B17R0.195 CCNCCCCCCCCCCCC(=O)OC 2230a_100015525214_100010983606 [1,1,0,0,0,0|1,0,1]=4 688 B17R0.195 CCOCCCCCCCCCCCC(=O)OC 34a_100121572206_100010983606 [1,1,0,0,0,0|1,0,1]=4 689 B17R0.195 CCOCCCNCCCCCCCC(=O)OC 2230a_100000210961_100010004213 [1,1,0,0,0,0|2,0,0]=4 690 B17R0.195 CCOCCCNCCCCCCCC(=O)OC 34a_100000210961_100010004213 [1,1,0,0,0,0|2,0,0]=4 691 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 34a_100000757476_100010004213 [1,1,0,0,0,0|2,0,0]=4 692 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 34a_100011022521_100012232248 [1,1,0,0,0,0|2,0,0]=4 693 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 7a_100000757476_100010004213 [1,1,0,0,0,0|2,0,0]=4 694 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 7a_100011022521_100012232248 [1,1,0,0,0,0|2,0,0]=4 695 B17R0.195 CCOCCCSCCCCCCCC(=O)OC 62a_100010004213_100012232248 [1,1,0,0,0,0|2,0,0]=4 696 B17R0.195 CCOCCCSCCCCCCCC(=O)OC 62a_100012232248_100010004213 [1,1,0,0,0,0|2,0,0]=4 697 B17R0.195 CCSCCCCCCCCCCCC(=O)OC 62a_100000210202_100010983606 [1,1,0,0,0,0|1,0,1]=4 698 B17R0.195 CCSCCCOCCCCCCCC(=O)OC 34a_100011216438_100010004213 [1,1,0,0,0,0|2,0,0]=4 699 B17R0.195 CCSCCCOCCCCCCCC(=O)OC 7a_100011216438_100010004213 [1,1,0,0,0,0|2,0,0]=4 700 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 2230a_106832991635_209314222159 [1,1,0,0,0,0|1,0,1]=4 701 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 34a_100102657272_209314222159 [1,1,0,0,0,0|1,0,1]=4 702 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 7a_106832991635_209314222159 [1,1,0,0,0,0|1,0,1]=4 703 B17R0.195 COC(=O)CCCCCCCCCCCCSC 62a_200000210301_209314222159 [1,1,0,0,0,0|1,0,1]=4 704 B17R0.195 COC(=O)CCCCCCCCCCCCS[13CH3] 62a_200025704644_209314222159 [1,1,0,0,0,0|1,0,1]=4 705 B17R0.195 COC(=O)CCCCCCCNCCCCCO 2230a_100000762737_100010004213 [1,1,0,0,0,0|2,0,0]=4 706 B17R0.195 COC(=O)CCCCCCCNCCCCCO 34a_100000762737_100010004213 [1,1,0,0,0,0|2,0,0]=4 707 B17R0.195 COC(=O)CCCCCCCOCCCCCBr 34a_100000746331_100010004213 [1,1,0,0,0,0|2,0,0]=4 708 B17R0.195 COC(=O)CCCCCCCOCCCCCBr 7a_100000746331_100010004213 [1,1,0,0,0,0|2,0,0]=4 709 B17R0.195 COC(=O)CCCCCCCOCCCCCCl 34a_100000746330_100010004213 [1,1,0,0,0,0|2,0,0]=4 710 B17R0.195 COC(=O)CCCCCCCOCCCCCCl 7a_100000746330_100010004213 [1,1,0,0,0,0|2,0,0]=4 711 B17R0.195 COC(=O)CCCCCCCOCCCCCF 34a_100011022521_100000729378 [1,1,0,0,0,0|2,0,0]=4 712 B17R0.195 COC(=O)CCCCCCCOCCCCCF 7a_100011022521_100000729378 [1,1,0,0,0,0|2,0,0]=4 713 B17R0.195 COC(=O)CCCCCCCOCCCCCI 34a_200012148887_100010004213 [1,1,0,0,0,0|2,0,0]=4 714 B17R0.195 COC(=O)CCCCCCCOCCCCCI 7a_200012148887_100010004213 [1,1,0,0,0,0|2,0,0]=4 715 B17R0.195 COC(=O)CCCCCCCOCCCCCN 34a_100000762737_100010004213 [1,1,0,0,0,0|2,0,0]=4 716 B17R0.195 COC(=O)CCCCCCCOCCCCCO 34a_100011022521_100000746330 [1,1,0,0,0,0|2,0,0]=4 717 B17R0.195 COC(=O)CCCCCCCOCCCCCO 7a_100011022521_100000746330 [1,1,0,0,0,0|2,0,0]=4 718 B17R0.195 COC(=O)CCCCCCCOCCCCSC 34a_100011217163_100010004213 [1,1,0,0,0,0|2,0,0]=4 719 B17R0.195 COC(=O)CCCCCCCOCCCCSC 7a_100011217163_100010004213 [1,1,0,0,0,0|2,0,0]=4 720 B17R0.195 COC(=O)CCCCCCCSCCCCCF 62a_100000729378_100010004213 [1,1,0,0,0,0|2,0,0]=4 721 B17R0.195 COC(=O)CCCCCCCSCCCCCF 62a_100010004213_100000729378 [1,1,0,0,0,0|2,0,0]=4 722 B17R0.195 COC(=O)CCCCCCCSCCCCCO 62a_100000746330_100010004213 [1,1,0,0,0,0|2,0,0]=4 723 B17R0.195 COC(=O)CCCCCCCSCCCCCO 62a_100010004213_100000746330 [1,1,0,0,0,0|2,0,0]=4 724 B17R0.195 COCCCCCCCCCCCCC(=O)OC 34a_100138415774_209314222159 [1,1,0,0,0,0|1,0,1]=4 725 B17R0.195 COCCCCOCCCCCCCC(=O)OC 34a_100000740925_100010004213 [1,1,0,0,0,0|2,0,0]=4 726 B17R0.195 COCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000755781 [1,1,0,0,0,0|2,0,0]=4 727 B17R0.195 COCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000730899 [1,1,0,0,0,0|2,0,0]=4 728 B17R0.195 COCCCCSCCCCCCCC(=O)OC 62a_100000730899_100010004213 [1,1,0,0,0,0|2,0,0]=4 729 B17R0.195 COCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000730899 [1,1,0,0,0,0|2,0,0]=4 730 B17R0.195 O=C(CO)CCCCCCCCCCCCCO 1458a_100000210174_100009812470 [1,1,0,0,0,0|1,0,1]=4 731 B17R0.8801 CCCCC/C=C/CCC(=O)CCCCC(=O)C 1458a_200015255902_100000735457 [1,1,0,0,0,0|1,0,1]=4 732 B17R0.8801 CCCCCC/C=C/CC(=O)CCCCC(=O)C 1458a_100020681715_100000735457 [1,1,0,0,0,0|1,0,1]=4 733 B17R0.14245 CCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000759014 [1,1,0,0,0,0|1,0,1]=4 734 B17R0.14245 CCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011215454 [1,1,0,0,0,0|1,0,1]=4 735 B17R0.14245 CCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011215454 [1,1,0,0,0,0|1,0,1]=4 736 B17R0.104 CCCCCCC=CC(=O)CCCCCCCO 1458a_200015324643_100000760002 [1,1,0,0,0,0|0,0,2]=4 737 B17R0.117 CCCCC/C=C/C=C/COCCCCCC=O 7a_200014065772_100000139337 [1,1,0,0,0,0|0,0,2]=4 738 B17R0.117 CCCCC/C=C\CCCOCCCCCC=O 7a_100020655193_100000139337 [1,1,0,0,0,0|0,0,2]=4 739 B17R0.117 CCCCCC/C=C/C=C/COCCCCC=O 7a_200028454808_100000139335 [1,1,0,0,0,0|0,0,2]=4 740 B17R0.117 CCCCCC/C=C/COCCCCCCCO 34a_200016276170_100000760002 [1,1,0,0,0,0|0,0,1]=3 741 B17R0.117 CCCCCC/C=C/COCCCCCCCO 7a_200016276170_100000760002 [1,1,0,0,0,0|0,0,1]=3 742 B17R0.117 CCCCCC/C=C/COCCCCCCOC 34a_200016276170_100011998445 [1,1,0,0,0,0|1,0,1]=4 743 B17R0.117 CCCCCC/C=C/COCCCCCCOC 7a_200016276170_100011998445 [1,1,0,0,0,0|1,0,1]=4 744 B17R0.117 CCCCCCC#CCCOCCCCCC=O 7a_200000033163_100000139337 [1,1,0,0,0,0|0,0,2]=4 745 B17R0.196 CCCCCC/C=C\CCCCC(C)NCCO 270004a_100000210304_100020676974 [1,1,0,0,0,0|1,0,1]=4 746 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 11a_100000210581_100011216160 [1,1,0,0,0,0|2,0,0]=4 747 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 1626a_100000210581_100011216160 [1,1,0,0,0,0|2,0,0]=4 748 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 240690a_100000210581_100011216160 [1,1,0,0,0,0|2,0,0]=4 749 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 527a_100000210581_100011216160 [1,1,0,0,0,0|2,0,0]=4 750 B17R0.8809 CCCCCC/C=C/CC(=O)CCCCCCO 1458a_100020681715_100000766143 [1,1,0,0,0,0|0,0,2]=4 751 B17R0.8809 CCCCCC=CC(=O)CCCCCCCCO 1458a_100016263427_100000033203 [1,1,0,0,0,0|0,0,2]=4 752 B17R0.8809 CCCCCCCC(=O)CCCCCCCCO 1458a_100000211969_100000033203 [1,1,0,0,0,0|0,0,2]=4 753 B17R0.8809 CCCCCCNC(=O)CCCCCCCCO 240690a_100000210581_100000015970 [1,1,0,0,0,0|1,0,1]=4 754 B17R0.8809 CCCCCCNC(=O)CSCCCCCC=O 62a_100000230325_100000139337 [1,1,0,0,0,0|2,0,0]=4 755 B17R0.12412 CCCCCCC(=O)CCCCCCCCCO 1458a_100102632555_100009813782 [1,1,0,0,0,0|0,0,2]=4 756 B17R0.12412 CCCCCCC(=O)NCCCCCCCCO 240690a_102515433106_100102632555 [1,1,0,0,0,0|1,0,1]=4 757 B17R1.321 CCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210757 [1,0,0,1,0,0|1,0,0]=3 758 B17R1.321 CCCCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100011995733 [1,0,0,1,0,0|2,0,0]=4 759 B17R1.321 CCCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215938 [1,0,0,1,0,0|2,0,0]=4 760 B17R1.321 CCOCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100012232248 [1,0,0,1,0,0|2,0,0]=4 761 B17R1.321 COCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000730899 [1,0,0,1,0,0|2,0,0]=4 762 B17R1.321 O=C(O)CCC1CCCCN1CCCCCF 269956a_100000694054_100000729378 [1,0,0,1,0,0|2,0,0]=4 763 B17R1.321 O=C(O)CCC1CCCCN1CCCCCO 269956a_100000694054_100000746330 [1,0,0,1,0,0|2,0,0]=4 764 B17R1.1241 CCCCC/C=C\CCCOC1COC(=O)O1 34a_100020655193_100000032252 [1,0,0,1,0,0|2,0,0]=4 765 B17R1.1241 CCCCC/C=C\CCOCC1CNC(=O)O1 34a_100016277358_100000181169 [1,0,0,1,0,0|2,0,0]=4 766 B17R1.1241 CCCCC/C=C\CCOCC1CNC(=O)O1 7a_100016277358_100000181169 [1,0,0,1,0,0|2,0,0]=4 767 B17R1.1241 CCCCC/C=C\CCOCC1COC(=O)O1 34a_100016277358_100000073702 [1,0,0,1,0,0|2,0,0]=4 768 B17R1.1241 CCCCC/C=C\CCOC[C@@H]1CCC(=O)N1 7a_100016277358_100015189358 [1,0,0,1,0,0|2,0,0]=4 769 B17R1.1241 CCCCCC/C=C/COCC1CNC(=O)O1 34a_200016276170_100000181169 [1,0,0,1,0,0|2,0,0]=4 770 B17R1.1241 CCCCCC/C=C/COCC1CNC(=O)O1 7a_200016276170_100000181169 [1,0,0,1,0,0|2,0,0]=4 771 B17R1.1241 CCCCCC/C=C/COCC1COC(=O)O1 34a_200016276170_100000073702 [1,0,0,1,0,0|2,0,0]=4 772 B17R1.1241 CCCCCC/C=C/COC[C@@H]1CCC(=O)N1 7a_200016276170_100015189358 [1,0,0,1,0,0|2,0,0]=4 773 B17R1.1307 CCCCC1C=CCN1CCCCCC(=O)N 2230a_100015184376_100009817443 [1,0,0,1,0,0|2,0,0]=4 774 B17R1.1307 CCCCC1C=CCN1CCCCCC(=O)N 269982a_100015184376_100009817443 [1,0,0,1,0,0|2,0,0]=4 775 B17R1.1307 CCCCC1C=CCN1CCCCCC(=O)N 34a_100015184376_100009817443 [1,0,0,1,0,0|2,0,0]=4 776 B17R1.4140 CCCCC/C=C\CCCOCC1CC(=O)C1 7a_100020655193_100009874392 [1,0,0,1,0,0|2,0,0]=4 777 B17R1.5251 CCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210670 [1,0,0,1,0,0|1,0,1]=4 778 B17R1.5777 CCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210614 [1,0,0,1,0,0|1,0,1]=4 779 B17R1.7901 CCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210759 [1,0,0,1,0,0|1,0,1]=4 780 B17R1.7901 CCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210614 [1,0,0,1,0,0|1,0,1]=4 781 B17R1.17889 CCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210326 [1,0,0,1,0,0|1,0,1]=4 782 B17R1.26240 NC(=O)CCCCCOC1C=CCCCCC1 34a_100000688657_100009817443 [1,0,0,1,0,0|2,0,0]=4 783 B17R1.29200 CCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210320 [1,0,0,1,0,0|1,0,1]=4 784 B17R1.1242 CCCCCC/C=C/COCC1CCCCO1 34a_200016276170_100000211543 [1,0,0,1,0,0|1,0,1]=4 785 B17R1.1242 CCCCCC/C=C/COCC1CCCCO1 7a_200016276170_100000211543 [1,0,0,1,0,0|1,0,1]=4 786 B17R1.1450 CCCCCC/C=C/COC1CCCCC1=O 34a_200016276170_100000754470 [1,0,0,1,0,0|1,0,0]=3 787 B17R1.1450 CCCCCC/C=C/COC1CCCCC1=O 7a_200016276170_100000204591 [1,0,0,1,0,0|1,0,0]=3 788 B17R1.1450 CCCCCC/C=C/COC1CCCCC1O 34a_200016276170_100000038908 [1,0,0,1,0,0|1,0,1]=4 789 B17R1.1450 CCCCCC/C=C/COC1CCCNC1=O 34a_200016276170_100000687798 [1,0,0,1,0,0|2,0,0]=4 790 B17R1.1450 CCCCCC/C=C/COC1CCCNC1=O 7a_200016276170_100000687798 [1,0,0,1,0,0|2,0,0]=4 791 B17R1.1450 CCCCCC/C=C/COC1COCCC1=O 34a_200016276170_100012180262 [1,0,0,1,0,0|2,0,0]=4 792 B17R1.1450 CCCCCC/C=C/COC1COCCC1=O 7a_200016276170_100012180262 [1,0,0,1,0,0|2,0,0]=4 793 B17R1.5249 CCCCCC/C=C/COCCC1CCC1=O 7a_200016276170_200016118888 [1,0,0,1,0,0|1,0,0]=3 794 B19R1.4886 CCCCCCC(C)N1CCCCC1CCC(=O)O 269956a_100000694054_100011215978 [0,1,0,1,0,0|1,0,1]=4 795 B19R1.884 COC(=O)CCCCCCCCNC1CCCCC1 2230a_100000182618_100010282707 [0,1,0,1,0,0|1,0,1]=4 796 B19R1.884 COC(=O)CCCCCCCCNC1CCCCC1 34a_100000182618_100010282707 [0,1,0,1,0,0|1,0,1]=4 797 B19R1.884 COC(=O)CCCCCCCCOC1CCCCC1 34a_100000035544_100000210327 [0,1,0,1,0,0|1,0,1]=4 798 B19R1.884 COC(=O)CCCCCCCCOC1CCCCC1 34a_100000210231_100010282707 [0,1,0,1,0,0|1,0,1]=4 799 B19R1.884 COC(=O)CCCCCCCCOC1CCCCC1 7a_100000035544_100000210327 [0,1,0,1,0,0|1,0,1]=4 800 B19R1.884 COC(=O)CCCCCCCCOC1CCCCC1 7a_100000210231_100010282707 [0,1,0,1,0,0|1,0,1]=4 801 B19R1.884 COC(=O)CCCCCCCCSC1CCCCC1 62a_100000210327_100010282707 [0,1,0,1,0,0|1,0,1]=4 802 B19R1.884 COC(=O)CCCCCCCCSC1CCCCC1 62a_100010282707_100000210327 [0,1,0,1,0,0|1,0,1]=4 803 B19R1.884 COC(=O)CCCCCCCNCC1CCCCC1 2230a_100000210473_100010004213 [0,1,0,1,0,0|1,0,1]=4 804 B19R1.884 COC(=O)CCCCCCCNCC1CCCCC1 34a_100000210473_100010004213 [0,1,0,1,0,0|1,0,1]=4 805 B19R1.884 COC(=O)CCCCCCCOCC1CCCCC1 34a_100000212181_100010004213 [0,1,0,1,0,0|1,0,1]=4 806 B19R1.884 COC(=O)CCCCCCCOCC1CCCCC1 34a_100011022521_100000211423 [0,1,0,1,0,0|1,0,1]=4 807 B19R1.884 COC(=O)CCCCCCCOCC1CCCCC1 7a_100000212181_100010004213 [0,1,0,1,0,0|1,0,1]=4 808 B19R1.884 COC(=O)CCCCCCCOCC1CCCCC1 7a_100011022521_100000211423 [0,1,0,1,0,0|1,0,1]=4 809 B19R1.884 COC(=O)CCCCCCCSCC1CCCCC1 62a_100000211423_100010004213 [0,1,0,1,0,0|1,0,1]=4 810 B19R1.884 COC(=O)CCCCCCCSCC1CCCCC1 62a_100010004213_100000211423 [0,1,0,1,0,0|1,0,1]=4 811 B19R1.7481 CCC1CCCCN1CCCCCCCC(=O)OC 2230a_100000210034_100010004213 [0,1,0,1,0,0|1,0,1]=4 812 B19R1.7481 CCC1CCCCN1CCCCCCCC(=O)OC 269982a_100000210034_100010004213 [0,1,0,1,0,0|1,0,1]=4 813 B19R1.7481 CCC1CCCCN1CCCCCCCC(=O)OC 34a_100000210034_100010004213 [0,1,0,1,0,0|1,0,1]=4 814 B19R1.8020 CCC1CCCN1CCCCCCCCC(=O)OC 2230a_100000754278_100010282707 [0,1,0,1,0,0|1,0,1]=4 815 B19R1.8020 CCC1CCCN1CCCCCCCCC(=O)OC 269982a_100000754278_100010282707 [0,1,0,1,0,0|1,0,1]=4 816 B19R1.8020 CCC1CCCN1CCCCCCCCC(=O)OC 34a_100000754278_100010282707 [0,1,0,1,0,0|1,0,1]=4 817 B19R1.43651 COC(=O)CCCCCCCCOC1CCCC1C 34a_100011216460_100010282707 [0,1,0,1,0,0|1,0,1]=4 818 B19R1.43651 COC(=O)CCCCCCCCOC1CCCC1C 7a_100011216460_100010282707 [0,1,0,1,0,0|1,0,1]=4 819 B19R1.45478 COC(=O)CCCCCCCCN1CCCCC1C 2230a_100000211376_100010282707 [0,1,0,1,0,0|1,0,1]=4 820 B19R1.45478 COC(=O)CCCCCCCCN1CCCCC1C 269982a_100000211376_100010282707 [0,1,0,1,0,0|1,0,1]=4 821 B19R1.45478 COC(=O)CCCCCCCCN1CCCCC1C 34a_100000211376_100010282707 [0,1,0,1,0,0|1,0,1]=4 822 B19R1.45478 COC(=O)CCCCCCCNC1CCCCC1C 2230a_100000211402_100010004213 [0,1,0,1,0,0|1,0,1]=4 823 B19R1.45478 COC(=O)CCCCCCCNC1CCCCC1C 34a_100000211402_100010004213 [0,1,0,1,0,0|1,0,1]=4 824 B19R1.45478 COC(=O)CCCCCCCOC1CCCCC1C 34a_100000211207_100010004213 [0,1,0,1,0,0|1,0,1]=4 825 B19R1.45478 COC(=O)CCCCCCCOC1CCCCC1C 7a_100000211207_100010004213 [0,1,0,1,0,0|1,0,1]=4 826 B19R1.50111 COC(=O)CCCCCCCN1CCCCCCC1 2230a_100000211400_100010004213 [0,1,0,1,0,0|1,0,1]=4 827 B19R1.50111 COC(=O)CCCCCCCN1CCCCCCC1 269982a_100000211400_100010004213 [0,1,0,1,0,0|1,0,1]=4 828 B19R1.50111 COC(=O)CCCCCCCN1CCCCCCC1 34a_100000211400_100010004213 [0,1,0,1,0,0|1,0,1]=4 829 B19R1.62988 COC(=O)CCCCCCCCNCC1CCCC1 2230a_100000737975_100010282707 [0,1,0,1,0,0|1,0,1]=4 830 B19R1.62988 COC(=O)CCCCCCCCNCC1CCCC1 34a_100000737975_100010282707 [0,1,0,1,0,0|1,0,1]=4 831 B19R1.62988 COC(=O)CCCCCCCCOCC1CCCC1 34a_100000035544_100000740388 [0,1,0,1,0,0|1,0,1]=4 832 B19R1.62988 COC(=O)CCCCCCCCOCC1CCCC1 34a_100000742336_100010282707 [0,1,0,1,0,0|1,0,1]=4 833 B19R1.62988 COC(=O)CCCCCCCCOCC1CCCC1 7a_100000035544_100000740388 [0,1,0,1,0,0|1,0,1]=4 834 B19R1.62988 COC(=O)CCCCCCCCOCC1CCCC1 7a_100000742336_100010282707 [0,1,0,1,0,0|1,0,1]=4 835 B19R1.62988 COC(=O)CCCCCCCCSCC1CCCC1 62a_100000740388_100010282707 [0,1,0,1,0,0|1,0,1]=4 836 B19R1.62988 COC(=O)CCCCCCCCSCC1CCCC1 62a_100010282707_100000740388 [0,1,0,1,0,0|1,0,1]=4 837 B19R1.62988 COC(=O)CCCCCCCNCCC1CCCC1 2230a_100000739158_100010004213 [0,1,0,1,0,0|1,0,1]=4 838 B19R1.62988 COC(=O)CCCCCCCNCCC1CCCC1 34a_100000739158_100010004213 [0,1,0,1,0,0|1,0,1]=4 839 B19R1.62988 COC(=O)CCCCCCCOCCC1CCCC1 34a_100000749090_100010004213 [0,1,0,1,0,0|1,0,1]=4 840 B19R1.62988 COC(=O)CCCCCCCOCCC1CCCC1 34a_100011022521_100000760354 [0,1,0,1,0,0|1,0,1]=4 841 B19R1.62988 COC(=O)CCCCCCCOCCC1CCCC1 7a_100000749090_100010004213 [0,1,0,1,0,0|1,0,1]=4 842 B19R1.62988 COC(=O)CCCCCCCOCCC1CCCC1 7a_100011022521_100000760354 [0,1,0,1,0,0|1,0,1]=4 843 B19R1.62988 COC(=O)CCCCCCCSCCC1CCCC1 62a_100000760354_100010004213 [0,1,0,1,0,0|1,0,1]=4 844 B19R1.62988 COC(=O)CCCCCCCSCCC1CCCC1 62a_100010004213_100000760354 [0,1,0,1,0,0|1,0,1]=4 845 B19R1.407479 COC(=O)CCCCCCCCN1CCCCCC1 2230a_100000185865_100010282707 [0,1,0,1,0,0|1,0,1]=4 846 B19R1.407479 COC(=O)CCCCCCCCN1CCCCCC1 269982a_100000185865_100010282707 [0,1,0,1,0,0|1,0,1]=4 847 B19R1.407479 COC(=O)CCCCCCCCN1CCCCCC1 34a_100000185865_100010282707 [0,1,0,1,0,0|1,0,1]=4 848 B19R1.407479 COC(=O)CCCCCCCNC1CCCCCC1 2230a_100000210984_100010004213 [0,1,0,1,0,0|1,0,1]=4 849 B19R1.407479 COC(=O)CCCCCCCNC1CCCCCC1 34a_100000210984_100010004213 [0,1,0,1,0,0|1,0,1]=4 850 B19R1.407479 COC(=O)CCCCCCCOC1CCCCCC1 34a_100000210887_100010004213 [0,1,0,1,0,0|1,0,1]=4 851 B19R1.407479 COC(=O)CCCCCCCOC1CCCCCC1 34a_100011022521_100011217769 [0,1,0,1,0,0|1,0,1]=4 852 B19R1.407479 COC(=O)CCCCCCCOC1CCCCCC1 7a_100000210887_100010004213 [0,1,0,1,0,0|1,0,1]=4 853 B19R1.407479 COC(=O)CCCCCCCSC1CCCCCC1 62a_100010004213_100011217769 [0,1,0,1,0,0|1,0,1]=4 854 B19R1.407479 COC(=O)CCCCCCCSC1CCCCCC1 62a_100011217769_100010004213 [0,1,0,1,0,0|1,0,1]=4 855 B19R1.8985 CCCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210759 [0,1,0,1,0,0|0,0,2]=4 856 B19R1.8985 COCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011998445 [0,1,0,1,0,0|1,0,1]=4 857 B19R1.8985 O=C(O)CCC1CCCCN1CCCCCCCO 269956a_100000694054_100000760002 [0,1,0,1,0,0|1,0,1]=4 858 B19R1.27390 CCCCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210320 [0,1,0,1,0,0|0,0,2]=4 859 B19R1.27390 CCCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210670 [0,1,0,1,0,0|0,0,2]=4 860 B19R1.46531 CCCCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215454 [0,1,0,1,0,0|0,0,2]=4 861 B19R1.47245 CCCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210670 [0,1,0,1,0,0|0,0,2]=4 862 B19R1.54339 CCCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210614 [0,1,0,1,0,0|0,0,2]=4 863 B19R1.54339 CCCCOCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000743108 [0,1,0,1,0,0|1,0,1]=4 864 B19R1.54339 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCCF 269956a_200049070474_100015922095 [0,1,0,1,0,0|1,0,1]=4 865 B19R1.54339 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCCO 269956a_200049070474_100000766143 [0,1,0,1,0,0|1,0,1]=4 866 B19R1.68071 CCCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000759014 [0,1,0,1,0,0|0,0,2]=4 867 B19R1.26193 CC(C)CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210682 [0,1,0,1,0,0|1,0,1]=4 868 B19R1.279120 CC(C)CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011216152 [0,1,0,1,0,0|1,0,1]=4 869 B19R1.563956 CCCCCC(C)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200011218191 [0,1,0,1,0,0|1,0,1]=4 870 B19R1.29656 CCCCCCNC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000230325 [0,1,0,1,0,0|2,0,0]=4 871 B19R2.8688 O=C(O)CCC1CCCCN1CC2CCCCC2 269956a_100000694054_100000211423 [0,0,0,2,0,0|1,0,1]=4 872 B19R2.111493 O=C(O)CCC1CCCCN1CCC2CCCC2 269956a_100000694054_100000760354 [0,0,0,2,0,0|1,0,1]=4 873 B19R2.159437 CCCCCCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000210757 [0,0,0,2,0,0|1,0,1]=4 874 B19R2.1016920 O=C(O)CCC1CCCCN1C2CCCCCC2 269956a_100000694054_100011217769 [0,0,0,2,0,0|1,0,1]=4 875 B19R2.23455 CCCCCCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000210614 [0,0,0,2,0,0|1,0,1]=4 876 B19R2.8823 O=C(O)[C@H]1CCCCCC[C@H]1NC2CCCCC2 269956a_200049070474_100000210327 [0,0,0,2,0,0|1,0,1]=4 877 B19R2.111109 O=C(O)[C@H]1CCCCCC[C@H]1NCC2CCCC2 269956a_200049070474_100000740388 [0,0,0,2,0,0|1,0,1]=4