0 B17R0.43 CC/C=C/CC/C=C/COCCCCOC(=O)C 34a_100016264143_100000033659 [0,0,1,0,0,0|1,0,2]=4 1 B17R0.43 CC/C=C/CC/C=C/COCCCCOC(=O)C 7a_100016264143_100000033659 [0,0,1,0,0,0|1,0,2]=4 2 B17R0.43 CCCCC/C=C/C=C/COCCCOC(=O)C 34a_200014065772_100000042594 [0,0,1,0,0,0|1,0,2]=4 3 B17R0.43 CCCCC/C=C/C=C/COCCCOC(=O)C 7a_200014065772_100000042594 [0,0,1,0,0,0|1,0,2]=4 4 B17R0.43 CCCCC/C=C/COCCCCCOC(=O)C 34a_100016258190_100000033007 [0,0,1,0,0,0|1,0,2]=4 5 B17R0.43 CCCCC/C=C/COCCCCCOC(=O)C 7a_100016258190_100000033007 [0,0,1,0,0,0|1,0,2]=4 6 B17R0.43 CCCCC/C=C\CCCOCCCOC(=O)C 34a_100020655193_100000042594 [0,0,1,0,0,0|1,0,2]=4 7 B17R0.43 CCCCC/C=C\CCCOCCCOC(=O)C 7a_100020655193_100000042594 [0,0,1,0,0,0|1,0,2]=4 8 B17R0.43 CCCCC/C=C\CCOCCCCOC(=O)C 34a_100016277358_100000033659 [0,0,1,0,0,0|1,0,2]=4 9 B17R0.43 CCCCC/C=C\CCOCCCCOC(=O)C 7a_100016277358_100000033659 [0,0,1,0,0,0|1,0,2]=4 10 B17R0.43 CCCCCC/C=C/C=C/COCCOC(=O)C 34a_200028454808_100009814007 [0,0,1,0,0,0|1,0,2]=4 11 B17R0.43 CCCCCC/C=C/C=C/COCCOC(=O)C 7a_200028454808_100009814007 [0,0,1,0,0,0|1,0,2]=4 12 B17R0.43 CCCCCC/C=C/COCCCCCB(O)O 34a_200016276170_200009817188 [0,0,1,0,0,0|2,0,1]=4 13 B17R0.43 CCCCCC/C=C/COCCCCCB(O)O 7a_200016276170_200009817188 [0,0,1,0,0,0|2,0,1]=4 14 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 34a_200016276170_100009817443 [0,0,1,0,0,0|2,0,0]=3 15 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 7a_200016276170_100009817443 [0,0,1,0,0,0|2,0,0]=3 16 B17R0.43 CCCCCC/C=C/COCCCCOC(=O)C 34a_200016276170_100000033659 [0,0,1,0,0,0|1,0,0]=2 17 B17R0.43 CCCCCC/C=C/COCCCCOC(=O)C 7a_200016276170_100000033659 [0,0,1,0,0,0|1,0,0]=2 18 B17R0.43 CCCCCC/C=C/COCCCCO[N+](=O)[O-] 34a_200016276170_100015694321 [0,0,1,0,0,0|3,0,0]=4 19 B17R0.43 CCCCCC/C=C/COCCCCO[N+](=O)[O-] 7a_200016276170_100015694321 [0,0,1,0,0,0|3,0,0]=4 20 B17R0.43 CCCCCC/C=C/COCCCCSC(=O)C 34a_200016276170_200010402107 [0,0,1,0,0,0|1,1,0]=3 21 B17R0.43 CCCCCC/C=C/COCCCCSC(=O)C 7a_200016276170_200010402107 [0,0,1,0,0,0|1,1,0]=3 22 B17R0.43 CCCCCC/C=C/COCOCCOC(=O)C 34a_200016276170_100000076355 [0,0,1,0,0,0|2,0,0]=3 23 B17R0.43 CCCCCCC#CCCOCCCOC(=O)C 34a_200000033163_100000042594 [0,0,1,0,0,0|1,0,2]=4 24 B17R0.43 CCCCCCC#CCCOCCCOC(=O)C 7a_200000033163_100000042594 [0,0,1,0,0,0|1,0,2]=4 25 B17R0.43 CCCCCCC#CCOCCCCOC(=O)C 34a_200000037284_100000033659 [0,0,1,0,0,0|1,0,2]=4 26 B17R0.43 CCCCCCC#CCOCCCCOC(=O)C 7a_200000037284_100000033659 [0,0,1,0,0,0|1,0,2]=4 27 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 11a_100011217771_100015343762 [0,0,1,0,0,0|1,0,2]=4 28 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 1626a_100011217771_100015343762 [0,0,1,0,0,0|1,0,2]=4 29 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 240690a_100011217771_100015343762 [0,0,1,0,0,0|1,0,2]=4 30 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 527a_100011217771_100103153847 [0,0,1,0,0,0|1,0,2]=4 31 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [0,0,1,0,0,0|1,0,2]=4 32 B17R0.43 CCCCCCCCCCCCNCOC(=O)C 34a_100000210451_100009813279 [0,0,1,0,0,0|1,0,2]=4 33 B17R0.43 CCCCCCCCCCCCOCOC(=O)C 34a_100000210810_100009813279 [0,0,1,0,0,0|1,0,2]=4 34 B17R0.43 CCCCCCCCCCCNCCOC(=O)C 34a_200011215754_100009814007 [0,0,1,0,0,0|1,0,2]=4 35 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 34a_100000210809_100009814007 [0,0,1,0,0,0|1,0,2]=4 36 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 7a_100000210809_100009814007 [0,0,1,0,0,0|1,0,2]=4 37 B17R0.43 CCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100011215454 [0,0,1,0,0,0|1,0,2]=4 38 B17R0.43 CCCCCCCCCCNCCCOC(=O)C 34a_100000684558_100000042594 [0,0,1,0,0,0|1,0,2]=4 39 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 34a_100000210711_100000042594 [0,0,1,0,0,0|1,0,2]=4 40 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 7a_100000210711_100000042594 [0,0,1,0,0,0|1,0,2]=4 41 B17R0.43 CCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210320 [0,0,1,0,0,0|1,0,2]=4 42 B17R0.43 CCCCCCCCCNCCCCOC(=O)C 34a_100000212291_100000033659 [0,0,1,0,0,0|1,0,2]=4 43 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000073216_100011214924 [0,0,1,0,0,0|1,0,2]=4 44 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000210712_100000033659 [0,0,1,0,0,0|1,0,2]=4 45 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210328 [0,0,1,0,0,0|1,0,2]=4 46 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000210712_100000033659 [0,0,1,0,0,0|1,0,2]=4 47 B17R0.43 CCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210670 [0,0,1,0,0,0|1,0,2]=4 48 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 2230a_100000229939_100009813381 [0,0,1,0,0,0|1,0,2]=4 49 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 34a_100000229939_100000033007 [0,0,1,0,0,0|1,0,2]=4 50 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 34a_100000210232_100000033007 [0,0,1,0,0,0|1,0,2]=4 51 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 7a_100000210232_100000033007 [0,0,1,0,0,0|1,0,2]=4 52 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210317 [0,0,1,0,0,0|1,0,2]=4 53 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000210759_100000033007 [0,0,1,0,0,0|1,0,2]=4 54 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210681 [0,0,1,0,0,0|2,0,1]=4 55 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210614 [0,0,1,0,0,0|2,0,1]=4 56 B17R0.43 CCCCCCOCCOCCCCOC(=O)C 34a_100000691444_100000033659 [0,0,1,0,0,0|2,0,1]=4 57 B17R0.43 CCCCCCOCCOCCCCOC(=O)C 7a_100000691444_100000033659 [0,0,1,0,0,0|2,0,1]=4 58 B17R0.104 C=CCCCCCCC(=O)CCCCCCCO 1458a_100011219782_100011215473 [0,0,1,0,0,0|2,0,1]=4 59 B17R0.104 C=CCCCCCCC(=O)CCCCCCCO 1458a_100011809334_100000760002 [0,0,1,0,0,0|2,0,1]=4 60 B17R0.104 C=CCCCCCCC(=O)NCCCCCCC 11a_100000229938_100011809334 [0,0,1,0,0,0|1,0,2]=4 61 B17R0.104 C=CCCCCCCC(=O)NCCCCCCC 1626a_100000229938_100011809334 [0,0,1,0,0,0|1,0,2]=4 62 B17R0.104 C=CCCCCCCC(=O)NCCCCCCC 240690a_100000229938_100011809334 [0,0,1,0,0,0|1,0,2]=4 63 B17R0.104 C=CCCCCCCC(=O)NCCCCCCC 527a_100000229938_100011809334 [0,0,1,0,0,0|1,0,2]=4 64 B17R0.104 C=CCCCCCCC(=O)NCCCCCCO 240690a_100000686447_100011809334 [0,0,1,0,0,0|2,0,1]=4 65 B17R0.104 C=CCCCCCCC(=O)NCCCCCCO 527a_100000686447_100011809334 [0,0,1,0,0,0|2,0,1]=4 66 B17R0.104 CCCCCCCCC(=O)CCCCCCCO 1458a_100000210188_100000760002 [0,0,1,0,0,0|2,0,1]=4 67 B17R0.104 CCCCCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210759 [0,0,1,0,0,0|2,0,1]=4 68 B17R0.104 CCCCCCCCC(=O)NCCCCCCC 11a_100000229938_100000210188 [0,0,1,0,0,0|1,0,2]=4 69 B17R0.104 CCCCCCCCC(=O)NCCCCCCC 1626a_100000229938_100000210188 [0,0,1,0,0,0|1,0,2]=4 70 B17R0.104 CCCCCCCCC(=O)NCCCCCCC 240690a_100000229938_100000210188 [0,0,1,0,0,0|1,0,2]=4 71 B17R0.104 CCCCCCCCC(=O)NCCCCCCC 527a_100000229938_100000210188 [0,0,1,0,0,0|1,0,2]=4 72 B17R0.104 CCCCCCCCC(=O)NCCCCCCO 240690a_100000686447_100000210188 [0,0,1,0,0,0|2,0,1]=4 73 B17R0.104 CCCCCCCCC(=O)NCCCCCCO 527a_100000686447_100000210188 [0,0,1,0,0,0|2,0,1]=4 74 B17R0.104 CCCCCCCNC(=O)CCCCCCCO 240690a_100000229938_100011219782 [0,0,1,0,0,0|2,0,1]=4 75 B17R0.104 O=C(CCCCCCCO)CCCCCCCO 1458a_100011219782_100000760002 [0,0,1,0,0,0|3,0,0]=4 76 B17R0.104 O=C(CCCCCCCO)NCCCCCCO 240690a_100000686447_100011219782 [0,0,1,0,0,0|3,0,0]=4 77 B17R0.117 CCCCCCCCC/C=C/COCCCCO 34a_100015232335_100011216708 [0,0,1,0,0,0|2,0,1]=4 78 B17R0.117 CCCCCCCCC/C=C/COCCCCO 7a_100015232335_100000210776 [0,0,1,0,0,0|2,0,1]=4 79 B17R0.195 C=CC(=O)OCCOCCC/C=C\CCCCC 34a_100020655193_100009813456 [0,0,1,0,0,0|1,0,2]=4 80 B17R0.195 C=CC(=O)OCCOCCC/C=C\CCCCC 7a_100020655193_100009813456 [0,0,1,0,0,0|1,0,2]=4 81 B17R0.195 C=CCCC/C=C/COCCCCCC(=O)OC 34a_200016268473_100009816466 [0,0,1,0,0,0|1,0,2]=4 82 B17R0.195 C=CCCC/C=C/COCCCCCC(=O)OC 7a_200016268473_100009816466 [0,0,1,0,0,0|1,0,2]=4 83 B17R0.195 CC/C=C/C/C=C/CCOCCCCC(=O)OC 34a_200016273837_100000204269 [0,0,1,0,0,0|1,0,2]=4 84 B17R0.195 CC/C=C/C/C=C/CCOCCCCC(=O)OC 7a_200016273837_100000204269 [0,0,1,0,0,0|1,0,2]=4 85 B17R0.195 CCC/C=C/C=C/COCCCCCC(=O)OC 34a_100016294078_100009816466 [0,0,1,0,0,0|1,0,2]=4 86 B17R0.195 CCCC/C=C/CCCCOCCCC(=O)OC 34a_200020645093_100000742333 [0,0,1,0,0,0|1,0,2]=4 87 B17R0.195 CCCC/C=C/CCCCOCCCC(=O)OC 7a_200020645093_100011218270 [0,0,1,0,0,0|1,0,2]=4 88 B17R0.195 CCCC/C=C/COCCCCCCC(=O)OC 34a_200016272032_100009815986 [0,0,1,0,0,0|1,0,2]=4 89 B17R0.195 CCCC/C=C/COCCCCCCC(=O)OC 7a_200016272032_100009815986 [0,0,1,0,0,0|1,0,2]=4 90 B17R0.195 CCCC/C=C\CCOCCCCCC(=O)OC 34a_200016286491_100009816466 [0,0,1,0,0,0|1,0,2]=4 91 B17R0.195 CCCC/C=C\CCOCCCCCC(=O)OC 7a_200016286491_100009816466 [0,0,1,0,0,0|1,0,2]=4 92 B17R0.195 CCCCC/C=C/C=C/COCCCC(=O)OC 34a_200014065772_100000742333 [0,0,1,0,0,0|1,0,2]=4 93 B17R0.195 CCCCC/C=C/C=C/COCCCC(=O)OC 7a_200014065772_100011218270 [0,0,1,0,0,0|1,0,2]=4 94 B17R0.195 CCCCC/C=C/COCCCCCC(=O)OC 34a_100016258190_100009816466 [0,0,1,0,0,0|1,0,0]=2 95 B17R0.195 CCCCC/C=C/COCCCCCC(=O)OC 7a_100016258190_100009816466 [0,0,1,0,0,0|1,0,0]=2 96 B17R0.195 CCCCC/C=C\CCCOC/C=C/C(=O)OC 34a_100020655193_100000742655 [0,0,1,0,0,0|1,0,2]=4 97 B17R0.195 CCCCC/C=C\CCCOC/C=C/C(=O)OC 7a_100020655193_100000742655 [0,0,1,0,0,0|1,0,2]=4 98 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)NC 34a_100020655193_100000741757 [0,0,1,0,0,0|2,0,0]=3 99 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)NC 7a_100020655193_100000741757 [0,0,1,0,0,0|2,0,0]=3 100 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)OC 34a_100020655193_100000742333 [0,0,1,0,0,0|1,0,0]=2 101 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)OC 7a_100020655193_100011218270 [0,0,1,0,0,0|1,0,0]=2 102 B17R0.195 CCCCC/C=C\CCCOCCOC(=O)NC 34a_100020655193_200011997002 [0,0,1,0,0,0|2,0,0]=3 103 B17R0.195 CCCCC/C=C\CCCOCCOC(=O)NC 7a_100020655193_200011997002 [0,0,1,0,0,0|2,0,0]=3 104 B17R0.195 CCCCC/C=C\CCOCCCCC(=O)OC 34a_100016277358_100000204269 [0,0,1,0,0,0|1,0,0]=2 105 B17R0.195 CCCCC/C=C\CCOCCCCC(=O)OC 7a_100016277358_100000204269 [0,0,1,0,0,0|1,0,0]=2 106 B17R0.195 CCCCC/C=C\CCOCCOCC(=O)OC 34a_100016277358_100000090808 [0,0,1,0,0,0|2,0,0]=3 107 B17R0.195 CCCCC/C=C\CCOCCOCC(=O)OC 7a_100016277358_100000090808 [0,0,1,0,0,0|2,0,0]=3 108 B17R0.195 CCCCCC#CCCOCCCCC(=O)OC 34a_200000042877_100000204269 [0,0,1,0,0,0|1,0,2]=4 109 B17R0.195 CCCCCC#CCCOCCCCC(=O)OC 7a_200000042877_100000204269 [0,0,1,0,0,0|1,0,2]=4 110 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 34a_100000074720_100009816472 [0,0,1,0,0,0|1,0,2]=4 111 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 34a_200000033628_100009816466 [0,0,1,0,0,0|1,0,2]=4 112 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 7a_100000074720_100009816472 [0,0,1,0,0,0|1,0,2]=4 113 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 7a_200000033628_100009816466 [0,0,1,0,0,0|1,0,2]=4 114 B17R0.195 CCCCCC#CCSCCCCCC(=O)OC 62a_100009816466_100009816472 [0,0,1,0,0,0|1,0,2]=4 115 B17R0.195 CCCCCC#CCSCCCCCC(=O)OC 62a_100009816472_100009816466 [0,0,1,0,0,0|1,0,2]=4 116 B17R0.195 CCCCCC/C=C/COCCCCC(=O)OC 34a_200016276170_100000204269 [0,0,1,0,0,0|1,0,2]=4 117 B17R0.195 CCCCCC/C=C/COCCCCC(=O)OC 7a_200016276170_100000204269 [0,0,1,0,0,0|1,0,2]=4 118 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000297455 [0,0,1,0,0,0|1,0,2]=4 119 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000297455 [0,0,1,0,0,0|1,0,2]=4 120 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000297455 [0,0,1,0,0,0|1,0,2]=4 121 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 11a_100011215765_100000210414 [0,0,1,0,0,0|1,0,2]=4 122 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 1626a_100011215765_100000210414 [0,0,1,0,0,0|1,0,2]=4 123 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 240690a_100011215765_100000210414 [0,0,1,0,0,0|1,0,2]=4 124 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 527a_100011215765_100000210414 [0,0,1,0,0,0|1,0,2]=4 125 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 2230a_100000210451_100000747449 [0,0,1,0,0,0|1,0,2]=4 126 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 34a_100000210451_100000747449 [0,0,1,0,0,0|1,0,2]=4 127 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 34a_100000210810_100000747449 [0,0,1,0,0,0|1,0,2]=4 128 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 7a_100000210810_100000747449 [0,0,1,0,0,0|1,0,2]=4 129 B17R0.195 CCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100000759014 [0,0,1,0,0,0|1,0,2]=4 130 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 2230a_200011215754_100000204255 [0,0,1,0,0,0|1,0,2]=4 131 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 34a_200011215754_100000742370 [0,0,1,0,0,0|1,0,2]=4 132 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 34a_100000210809_100000742370 [0,0,1,0,0,0|1,0,2]=4 133 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 7a_100000210809_100000204255 [0,0,1,0,0,0|1,0,2]=4 134 B17R0.195 CCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100011215454 [0,0,1,0,0,0|1,0,2]=4 135 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 2230a_100000684558_100011218270 [0,0,1,0,0,0|1,0,2]=4 136 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 34a_100000684558_100000742333 [0,0,1,0,0,0|1,0,2]=4 137 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 34a_100000210711_100000742333 [0,0,1,0,0,0|1,0,2]=4 138 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 7a_100000210711_100011218270 [0,0,1,0,0,0|1,0,2]=4 139 B17R0.195 CCCCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210320 [0,0,1,0,0,0|1,0,2]=4 140 B17R0.195 CCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210320 [0,0,1,0,0,0|1,0,2]=4 141 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 2230a_100000212291_100000204269 [0,0,1,0,0,0|1,0,2]=4 142 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 34a_100000212291_100000204269 [0,0,1,0,0,0|1,0,2]=4 143 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100011214924 [0,0,1,0,0,0|1,0,2]=4 144 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000210712_100000204269 [0,0,1,0,0,0|1,0,2]=4 145 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210328 [0,0,1,0,0,0|1,0,2]=4 146 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000210712_100000204269 [0,0,1,0,0,0|1,0,2]=4 147 B17R0.195 CCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210670 [0,0,1,0,0,0|1,0,2]=4 148 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 2230a_100000229939_100009816466 [0,0,1,0,0,0|1,0,2]=4 149 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 34a_100000229939_100009816466 [0,0,1,0,0,0|1,0,2]=4 150 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210759 [0,0,1,0,0,0|1,0,2]=4 151 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000210232_100009816466 [0,0,1,0,0,0|1,0,2]=4 152 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210759 [0,0,1,0,0,0|1,0,2]=4 153 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000210232_100009816466 [0,0,1,0,0,0|1,0,2]=4 154 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100000210759_100009816466 [0,0,1,0,0,0|1,0,2]=4 155 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210317 [0,0,1,0,0,0|1,0,2]=4 156 B17R0.195 CCCCCCCNCCCCCCC(=O)OC 2230a_100000229938_100009815986 [0,0,1,0,0,0|1,0,2]=4 157 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100000210272_100009815986 [0,0,1,0,0,0|1,0,2]=4 158 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210614 [0,0,1,0,0,0|1,0,2]=4 159 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100000210272_100009815986 [0,0,1,0,0,0|1,0,2]=4 160 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210614 [0,0,1,0,0,0|1,0,2]=4 161 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100000210614_100009815986 [0,0,1,0,0,0|1,0,2]=4 162 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210316 [0,0,1,0,0,0|1,0,2]=4 163 B17R0.195 CCCCCCNCCCCCCCC(=O)OC 2230a_100000210581_100010004213 [0,0,1,0,0,0|1,0,1]=3 164 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100000210259_100010004213 [0,0,1,0,0,0|1,0,1]=3 165 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210314 [0,0,1,0,0,0|1,0,1]=3 166 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100000210259_100010004213 [0,0,1,0,0,0|1,0,1]=3 167 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210314 [0,0,1,0,0,0|1,0,1]=3 168 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 34a_100000691444_100000204269 [0,0,1,0,0,0|2,0,1]=4 169 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 7a_100000691444_100000204269 [0,0,1,0,0,0|2,0,1]=4 170 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100000210314_100010004213 [0,0,1,0,0,0|1,0,1]=3 171 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210757 [0,0,1,0,0,0|1,0,1]=3 172 B17R0.195 CCCCCNCCCCCCCCC(=O)OC 2230a_100000209983_100010282707 [0,0,1,0,0,0|1,0,1]=3 173 B17R0.195 CCCCCNCCOCCCCCC(=O)OC 34a_100000224656_100009816466 [0,0,1,0,0,0|2,0,1]=4 174 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000718602 [0,0,1,0,0,0|1,0,1]=3 175 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000210253_100010282707 [0,0,1,0,0,0|1,0,1]=3 176 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210326 [0,0,1,0,0,0|1,0,1]=3 177 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000210253_100010282707 [0,0,1,0,0,0|1,0,1]=3 178 B17R0.195 CCCCCOCCOCCCCCC(=O)OC 34a_100011215259_100009816466 [0,0,1,0,0,0|2,0,1]=4 179 B17R0.195 CCCCCOCCOCCCCCC(=O)OC 7a_100011215259_100009816466 [0,0,1,0,0,0|2,0,1]=4 180 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100000210326_100010282707 [0,0,1,0,0,0|1,0,1]=3 181 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210326 [0,0,1,0,0,0|1,0,1]=3 182 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 2230a_100000102301_100009813843 [0,0,1,0,0,0|1,0,2]=4 183 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 7a_106832991798_100009813843 [0,0,1,0,0,0|1,0,2]=4 184 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 34a_100000210227_100009813843 [0,0,1,0,0,0|1,0,2]=4 185 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 7a_100000210227_100009813843 [0,0,1,0,0,0|1,0,2]=4 186 B17R0.195 CCCCOCOCCCCCCCC(=O)OC 34a_100011022521_100011995733 [0,0,1,0,0,0|2,0,1]=4 187 B17R0.195 CCCCOCSCCCCCCCC(=O)OC 62a_100010004213_100011995733 [0,0,1,0,0,0|2,0,1]=4 188 B17R0.195 CCCCOCSCCCCCCCC(=O)OC 62a_100011995733_100010004213 [0,0,1,0,0,0|2,0,1]=4 189 B17R0.195 CCCCSCCCCCCCCCC(=O)OC 62a_100000210211_100009813843 [0,0,1,0,0,0|1,0,2]=4 190 B17R0.195 CCCNN=CCCCCCCCCC(=O)OC 4a_100000740057_200010166605 [0,0,1,0,0,0|2,0,1]=4 191 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100000210258_100009812566 [0,0,1,0,0,0|1,0,2]=4 192 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210303 [0,0,1,0,0,0|1,0,2]=4 193 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210303 [0,0,1,0,0,0|1,0,2]=4 194 B17R0.195 CCCOCCNCCCCCCCC(=O)OC 2230a_100161115042_100010004213 [0,0,1,0,0,0|2,0,1]=4 195 B17R0.195 CCCOCCNCCCCCCCC(=O)OC 34a_100161115042_100010004213 [0,0,1,0,0,0|2,0,1]=4 196 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 34a_100000752267_100010004213 [0,0,1,0,0,0|2,0,1]=4 197 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 34a_100011022521_100011215938 [0,0,1,0,0,0|2,0,1]=4 198 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 7a_100000752267_100010004213 [0,0,1,0,0,0|2,0,1]=4 199 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 7a_100011022521_100011215938 [0,0,1,0,0,0|2,0,1]=4 200 B17R0.195 CCCOCCSCCCCCCCC(=O)OC 62a_100010004213_100011215938 [0,0,1,0,0,0|2,0,1]=4 201 B17R0.195 CCCOCCSCCCCCCCC(=O)OC 62a_100011215938_100010004213 [0,0,1,0,0,0|2,0,1]=4 202 B17R0.195 CCCSCCCCCCCCCCC(=O)OC 62a_100000210303_100009812566 [0,0,1,0,0,0|1,0,2]=4 203 B17R0.195 CCCSCCNCCCCCCCC(=O)OC 2230a_100020603323_100010004213 [0,0,1,0,0,0|2,0,1]=4 204 B17R0.195 CCCSCCOCCCCCCCC(=O)OC 34a_200000230433_100010004213 [0,0,1,0,0,0|2,0,1]=4 205 B17R0.195 CCCSCCOCCCCCCCC(=O)OC 7a_200000230433_100010004213 [0,0,1,0,0,0|2,0,1]=4 206 B17R0.195 CCNCCCCCCCCCCCC(=O)OC 2230a_100015525214_100010983606 [0,0,1,0,0,0|1,0,2]=4 207 B17R0.195 CCOCCCCCCCCCCCC(=O)OC 34a_100121572206_100010983606 [0,0,1,0,0,0|1,0,2]=4 208 B17R0.195 CCOCCCNCCCCCCCC(=O)OC 2230a_100000210961_100010004213 [0,0,1,0,0,0|2,0,1]=4 209 B17R0.195 CCOCCCNCCCCCCCC(=O)OC 34a_100000210961_100010004213 [0,0,1,0,0,0|2,0,1]=4 210 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 34a_100000757476_100010004213 [0,0,1,0,0,0|2,0,1]=4 211 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 34a_100011022521_100012232248 [0,0,1,0,0,0|2,0,1]=4 212 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 7a_100000757476_100010004213 [0,0,1,0,0,0|2,0,1]=4 213 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 7a_100011022521_100012232248 [0,0,1,0,0,0|2,0,1]=4 214 B17R0.195 CCOCCCSCCCCCCCC(=O)OC 62a_100010004213_100012232248 [0,0,1,0,0,0|2,0,1]=4 215 B17R0.195 CCOCCCSCCCCCCCC(=O)OC 62a_100012232248_100010004213 [0,0,1,0,0,0|2,0,1]=4 216 B17R0.195 CCOCCNCCCCCCCCC(=O)OC 2230a_102516460346_100010282707 [0,0,1,0,0,0|2,0,1]=4 217 B17R0.195 CCOCCNCCCCCCCCC(=O)OC 34a_102516460346_100010282707 [0,0,1,0,0,0|2,0,1]=4 218 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210147 [0,0,1,0,0,0|2,0,1]=4 219 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 34a_100000210136_100010282707 [0,0,1,0,0,0|2,0,1]=4 220 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 7a_100000035544_100011215890 [0,0,1,0,0,0|2,0,1]=4 221 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 7a_100000210136_100010282707 [0,0,1,0,0,0|2,0,1]=4 222 B17R0.195 CCOCCSCCCCCCCCC(=O)OC 62a_100000210147_100010282707 [0,0,1,0,0,0|2,0,1]=4 223 B17R0.195 CCOCCSCCCCCCCCC(=O)OC 62a_100010282707_100011215890 [0,0,1,0,0,0|2,0,1]=4 224 B17R0.195 CCSCCCCCCCCCCCC(=O)OC 62a_100000210202_100010983606 [0,0,1,0,0,0|1,0,2]=4 225 B17R0.195 CCSCCCOCCCCCCCC(=O)OC 34a_100011216438_100010004213 [0,0,1,0,0,0|2,0,1]=4 226 B17R0.195 CCSCCCOCCCCCCCC(=O)OC 7a_100011216438_100010004213 [0,0,1,0,0,0|2,0,1]=4 227 B17R0.195 CCSCCNCCCCCCCCC(=O)OC 2230a_100000106463_100010282707 [0,0,1,0,0,0|2,0,1]=4 228 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 34a_100000035544_100000757381 [0,0,1,0,0,0|2,0,1]=4 229 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 34a_100000212035_100010282707 [0,0,1,0,0,0|2,0,1]=4 230 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 7a_100000035544_100000757381 [0,0,1,0,0,0|2,0,1]=4 231 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 7a_100000212035_100010282707 [0,0,1,0,0,0|2,0,1]=4 232 B17R0.195 CCSCCSCCCCCCCCC(=O)OC 62a_100000757381_100010282707 [0,0,1,0,0,0|2,0,1]=4 233 B17R0.195 CCSCCSCCCCCCCCC(=O)OC 62a_100010282707_100000757381 [0,0,1,0,0,0|2,0,1]=4 234 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 2230a_106832991635_209314222159 [0,0,1,0,0,0|1,0,2]=4 235 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 34a_100102657272_209314222159 [0,0,1,0,0,0|1,0,2]=4 236 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 7a_106832991635_209314222159 [0,0,1,0,0,0|1,0,2]=4 237 B17R0.195 CNCCCOCCCCCCCCC(=O)OC 34a_100000213112_100010282707 [0,0,1,0,0,0|2,0,1]=4 238 B17R0.195 COC(=O)CCCCCCCCCCCCSC 62a_200000210301_209314222159 [0,0,1,0,0,0|1,0,2]=4 239 B17R0.195 COC(=O)CCCCCCCCCCCCS[13CH3] 62a_200025704644_209314222159 [0,0,1,0,0,0|1,0,2]=4 240 B17R0.195 COC(=O)CCCCCCCCNCCCCO 2230a_100000750430_100010282707 [0,0,1,0,0,0|2,0,1]=4 241 B17R0.195 COC(=O)CCCCCCCCNCCCCO 34a_100000750430_100010282707 [0,0,1,0,0,0|2,0,1]=4 242 B17R0.195 COC(=O)CCCCCCCCNCCCSC 2230a_100000749238_100010282707 [0,0,1,0,0,0|2,0,1]=4 243 B17R0.195 COC(=O)CCCCCCCCOCCCCBr 34a_100011216708_100010282707 [0,0,1,0,0,0|2,0,1]=4 244 B17R0.195 COC(=O)CCCCCCCCOCCCCCl 34a_100000210776_100010282707 [0,0,1,0,0,0|2,0,1]=4 245 B17R0.195 COC(=O)CCCCCCCCOCCCCCl 7a_100000210776_100010282707 [0,0,1,0,0,0|2,0,1]=4 246 B17R0.195 COC(=O)CCCCCCCCOCCCCF 34a_100000035544_100000729493 [0,0,1,0,0,0|2,0,1]=4 247 B17R0.195 COC(=O)CCCCCCCCOCCCCF 34a_100011995726_100010282707 [0,0,1,0,0,0|2,0,1]=4 248 B17R0.195 COC(=O)CCCCCCCCOCCCCF 7a_100000035544_100000729493 [0,0,1,0,0,0|2,0,1]=4 249 B17R0.195 COC(=O)CCCCCCCCOCCCCF 7a_100011995726_100010282707 [0,0,1,0,0,0|2,0,1]=4 250 B17R0.195 COC(=O)CCCCCCCCOCCCCI 34a_200012148704_100010282707 [0,0,1,0,0,0|2,0,1]=4 251 B17R0.195 COC(=O)CCCCCCCCOCCCCN 34a_100000750430_100010282707 [0,0,1,0,0,0|2,0,1]=4 252 B17R0.195 COC(=O)CCCCCCCCOCCCCO 34a_100000035544_100011216708 [0,0,1,0,0,0|2,0,1]=4 253 B17R0.195 COC(=O)CCCCCCCCOCCCCO 7a_100000035544_100000210776 [0,0,1,0,0,0|2,0,1]=4 254 B17R0.195 COC(=O)CCCCCCCCOCCCSC 34a_100000690336_100010282707 [0,0,1,0,0,0|2,0,1]=4 255 B17R0.195 COC(=O)CCCCCCCCOCCCSC 7a_100000690336_100010282707 [0,0,1,0,0,0|2,0,1]=4 256 B17R0.195 COC(=O)CCCCCCCCSCCCCF 62a_100000729493_100010282707 [0,0,1,0,0,0|2,0,1]=4 257 B17R0.195 COC(=O)CCCCCCCCSCCCCF 62a_100010282707_100000729493 [0,0,1,0,0,0|2,0,1]=4 258 B17R0.195 COC(=O)CCCCCCCCSCCCCO 62a_100000210776_100010282707 [0,0,1,0,0,0|2,0,1]=4 259 B17R0.195 COC(=O)CCCCCCCCSCCCCO 62a_100010282707_100000210776 [0,0,1,0,0,0|2,0,1]=4 260 B17R0.195 COC(=O)CCCCCCCNCCCCCO 2230a_100000762737_100010004213 [0,0,1,0,0,0|2,0,1]=4 261 B17R0.195 COC(=O)CCCCCCCNCCCCCO 34a_100000762737_100010004213 [0,0,1,0,0,0|2,0,1]=4 262 B17R0.195 COC(=O)CCCCCCCOCCCCCBr 34a_100000746331_100010004213 [0,0,1,0,0,0|2,0,1]=4 263 B17R0.195 COC(=O)CCCCCCCOCCCCCBr 7a_100000746331_100010004213 [0,0,1,0,0,0|2,0,1]=4 264 B17R0.195 COC(=O)CCCCCCCOCCCCCCl 34a_100000746330_100010004213 [0,0,1,0,0,0|2,0,1]=4 265 B17R0.195 COC(=O)CCCCCCCOCCCCCCl 7a_100000746330_100010004213 [0,0,1,0,0,0|2,0,1]=4 266 B17R0.195 COC(=O)CCCCCCCOCCCCCF 34a_100011022521_100000729378 [0,0,1,0,0,0|2,0,1]=4 267 B17R0.195 COC(=O)CCCCCCCOCCCCCF 7a_100011022521_100000729378 [0,0,1,0,0,0|2,0,1]=4 268 B17R0.195 COC(=O)CCCCCCCOCCCCCI 34a_200012148887_100010004213 [0,0,1,0,0,0|2,0,1]=4 269 B17R0.195 COC(=O)CCCCCCCOCCCCCI 7a_200012148887_100010004213 [0,0,1,0,0,0|2,0,1]=4 270 B17R0.195 COC(=O)CCCCCCCOCCCCCN 34a_100000762737_100010004213 [0,0,1,0,0,0|2,0,1]=4 271 B17R0.195 COC(=O)CCCCCCCOCCCCCO 34a_100011022521_100000746330 [0,0,1,0,0,0|2,0,1]=4 272 B17R0.195 COC(=O)CCCCCCCOCCCCCO 7a_100011022521_100000746330 [0,0,1,0,0,0|2,0,1]=4 273 B17R0.195 COC(=O)CCCCCCCOCCCCSC 34a_100011217163_100010004213 [0,0,1,0,0,0|2,0,1]=4 274 B17R0.195 COC(=O)CCCCCCCOCCCCSC 7a_100011217163_100010004213 [0,0,1,0,0,0|2,0,1]=4 275 B17R0.195 COC(=O)CCCCCCCSCCCCCF 62a_100000729378_100010004213 [0,0,1,0,0,0|2,0,1]=4 276 B17R0.195 COC(=O)CCCCCCCSCCCCCF 62a_100010004213_100000729378 [0,0,1,0,0,0|2,0,1]=4 277 B17R0.195 COC(=O)CCCCCCCSCCCCCO 62a_100000746330_100010004213 [0,0,1,0,0,0|2,0,1]=4 278 B17R0.195 COC(=O)CCCCCCCSCCCCCO 62a_100010004213_100000746330 [0,0,1,0,0,0|2,0,1]=4 279 B17R0.195 COCCCCCCCCCCCCC(=O)OC 34a_100138415774_209314222159 [0,0,1,0,0,0|1,0,2]=4 280 B17R0.195 COCCCCOCCCCCCCC(=O)OC 34a_100000740925_100010004213 [0,0,1,0,0,0|2,0,1]=4 281 B17R0.195 COCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000755781 [0,0,1,0,0,0|2,0,1]=4 282 B17R0.195 COCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000730899 [0,0,1,0,0,0|2,0,1]=4 283 B17R0.195 COCCCCSCCCCCCCC(=O)OC 62a_100000730899_100010004213 [0,0,1,0,0,0|2,0,1]=4 284 B17R0.195 COCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000730899 [0,0,1,0,0,0|2,0,1]=4 285 B17R0.195 COCCCNCCCCCCCCC(=O)OC 34a_100150723488_100010282707 [0,0,1,0,0,0|2,0,1]=4 286 B17R0.195 COCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000740836 [0,0,1,0,0,0|2,0,1]=4 287 B17R0.195 COCCCOCCCCCCCCC(=O)OC 34a_100000740835_100010282707 [0,0,1,0,0,0|2,0,1]=4 288 B17R0.195 COCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000740836 [0,0,1,0,0,0|2,0,1]=4 289 B17R0.195 COCCCSCCCCCCCCC(=O)OC 62a_100000709357_100010282707 [0,0,1,0,0,0|2,0,1]=4 290 B17R0.195 COCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000709357 [0,0,1,0,0,0|2,0,1]=4 291 B17R0.196 CCCC/C=C/CCCCOCC(=O)OCCC 34a_200020645093_200011215008 [0,0,1,0,0,0|1,0,2]=4 292 B17R0.196 CCCC/C=C/CCCCOCC(=O)OCCC 7a_200020645093_200011215008 [0,0,1,0,0,0|1,0,2]=4 293 B17R0.196 CCCCCCCCCCCCC(=O)NCCC 11a_100020643023_100011215791 [0,0,1,0,0,0|1,0,2]=4 294 B17R0.196 CCCCCCCCCCCCC(=O)NCCC 1626a_100020643023_100011215791 [0,0,1,0,0,0|1,0,2]=4 295 B17R0.196 CCCCCCCCCCCCC(=O)NCCC 240690a_100020643023_100011215791 [0,0,1,0,0,0|1,0,2]=4 296 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 11a_200011215754_100000210183 [0,0,1,0,0,0|1,0,2]=4 297 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 1626a_200011215754_100000210183 [0,0,1,0,0,0|1,0,2]=4 298 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 240690a_200011215754_100000210183 [0,0,1,0,0,0|1,0,2]=4 299 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 527a_200011215754_100000210183 [0,0,1,0,0,0|1,0,2]=4 300 B17R0.196 CCCCCCCCCCNCC(=O)OCCC 2230a_100000684558_200011215008 [0,0,1,0,0,0|1,0,2]=4 301 B17R0.196 CCCCCCCCCCNCC(=O)OCCC 34a_100000684558_200011215008 [0,0,1,0,0,0|1,0,2]=4 302 B17R0.196 CCCCCCCCCCOCC(=O)OCCC 34a_100000210711_200011215008 [0,0,1,0,0,0|1,0,2]=4 303 B17R0.196 CCCCCCCCCCOCC(=O)OCCC 7a_100000210711_200011215008 [0,0,1,0,0,0|1,0,2]=4 304 B17R0.196 CCCCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210320 [0,0,1,0,0,0|1,0,2]=4 305 B17R0.250 CCC/C=C/C=C/COCCCCC(=O)OCC 34a_100016294078_100000750268 [0,0,1,0,0,0|1,0,2]=4 306 B17R0.250 CCC/C=C/COCCCCCCC(=O)OCC 34a_100016278788_100009814379 [0,0,1,0,0,0|1,0,2]=4 307 B17R0.250 CCC/C=C/COCCCCCCC(=O)OCC 7a_100016278788_100009814379 [0,0,1,0,0,0|1,0,2]=4 308 B17R0.250 CCCC/C=C/CCCCOCCC(=O)NCC 7a_200020645093_100000737597 [0,0,1,0,0,0|2,0,0]=3 309 B17R0.250 CCCC/C=C/CCCCOCCC(=O)OCC 34a_200020645093_100000765890 [0,0,1,0,0,0|1,0,0]=2 310 B17R0.250 CCCC/C=C/CCCCOCCC(=O)OCC 7a_200020645093_100011206558 [0,0,1,0,0,0|1,0,0]=2 311 B17R0.250 CCCC/C=C/CCCCOCOC(=O)CCC 34a_200020645093_100000034017 [0,0,1,0,0,0|1,0,0]=2 312 B17R0.250 CCCC/C=C/COCCCCCC(=O)OCC 34a_200016272032_100000755133 [0,0,1,0,0,0|1,0,0]=2 313 B17R0.250 CCCC/C=C/COCCCCCC(=O)OCC 7a_200016272032_100000755133 [0,0,1,0,0,0|1,0,0]=2 314 B17R0.250 CCCC/C=C/COCCCOCC(=O)OCC 34a_200016272032_100009893628 [0,0,1,0,0,0|2,0,0]=3 315 B17R0.250 CCCC/C=C/COCCCOCC(=O)OCC 7a_200016272032_100009893628 [0,0,1,0,0,0|2,0,0]=3 316 B17R0.250 CCCC/C=C\CCOCCCCC(=O)OCC 34a_200016286491_100000750268 [0,0,1,0,0,0|1,0,0]=2 317 B17R0.250 CCCC/C=C\CCOCCCCC(=O)OCC 7a_200016286491_100000750268 [0,0,1,0,0,0|1,0,0]=2 318 B17R0.250 CCCC/C=C\CCOCCOCC(=O)OCC 34a_200016286491_100000088970 [0,0,1,0,0,0|2,0,0]=3 319 B17R0.250 CCCC/C=C\CCOCCOCC(=O)OCC 7a_200016286491_100000088970 [0,0,1,0,0,0|2,0,0]=3 320 B17R0.250 CCCCC#CCCCCOCCC(=O)OCC 34a_200000066234_100000765890 [0,0,1,0,0,0|1,0,2]=4 321 B17R0.250 CCCCC#CCCCCOCCC(=O)OCC 7a_200000066234_100011206558 [0,0,1,0,0,0|1,0,2]=4 322 B17R0.250 CCCCC#CCCCCOCOC(=O)CCC 34a_200000066234_100000034017 [0,0,1,0,0,0|1,0,2]=4 323 B17R0.250 CCCCC#CCCCOCCCC(=O)OCC 7a_100012001163_200000047210 [0,0,1,0,0,0|1,0,2]=4 324 B17R0.250 CCCCC#CCCCSCCCC(=O)OCC 62a_100009991533_200000047210 [0,0,1,0,0,0|1,0,2]=4 325 B17R0.250 CCCCC#CCCCSCCCC(=O)OCC 62a_200000047210_100009991533 [0,0,1,0,0,0|1,0,2]=4 326 B17R0.250 CCCCC#CCCOCCCCC(=O)OCC 34a_100000037610_100000750268 [0,0,1,0,0,0|1,0,2]=4 327 B17R0.250 CCCCC#CCCOCCCCC(=O)OCC 7a_100000037610_100000750268 [0,0,1,0,0,0|1,0,2]=4 328 B17R0.250 CCCCC#CCOCCCCCC(=O)OCC 34a_200000034558_100000755133 [0,0,1,0,0,0|1,0,2]=4 329 B17R0.250 CCCCC#CCOCCCCCC(=O)OCC 7a_200000034558_100000755133 [0,0,1,0,0,0|1,0,2]=4 330 B17R0.250 CCCCC/C=C/COCCCCC(=O)OCC 34a_100016258190_100000750268 [0,0,1,0,0,0|1,0,2]=4 331 B17R0.250 CCCCC/C=C/COCCCCC(=O)OCC 7a_100016258190_100000750268 [0,0,1,0,0,0|1,0,2]=4 332 B17R0.250 CCCCC/C=C\CCCOCCC(=O)OCC 34a_100020655193_100000765890 [0,0,1,0,0,0|1,0,2]=4 333 B17R0.250 CCCCC/C=C\CCCOCCC(=O)OCC 7a_100020655193_100011206558 [0,0,1,0,0,0|1,0,2]=4 334 B17R0.250 CCCCC/C=C\CCCOCOC(=O)CCC 34a_100020655193_100000034017 [0,0,1,0,0,0|1,0,2]=4 335 B17R0.250 CCCCC/C=C\CCOCCCC(=O)OCC 34a_100016277358_100009991533 [0,0,1,0,0,0|1,0,2]=4 336 B17R0.250 CCCCC/C=C\CCOCCCC(=O)OCC 7a_100016277358_100011215271 [0,0,1,0,0,0|1,0,2]=4 337 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 11a_100015525214_100000756256 [0,0,1,0,0,0|1,0,2]=4 338 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000756256 [0,0,1,0,0,0|1,0,2]=4 339 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 11a_100000210451_100000211992 [0,0,1,0,0,0|1,0,2]=4 340 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 1626a_100000210451_100000211992 [0,0,1,0,0,0|1,0,2]=4 341 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 240690a_100000210451_100000211992 [0,0,1,0,0,0|1,0,2]=4 342 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 527a_100000210451_100000211992 [0,0,1,0,0,0|1,0,2]=4 343 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 2230a_200011215754_100000188475 [0,0,1,0,0,0|1,0,2]=4 344 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 34a_200011215754_100000188475 [0,0,1,0,0,0|1,0,2]=4 345 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 34a_100000210809_100000188475 [0,0,1,0,0,0|1,0,2]=4 346 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 7a_100000210809_100000188475 [0,0,1,0,0,0|1,0,2]=4 347 B17R0.250 CCCCCCCCCCCSCC(=O)OCC 62a_100000188475_100011215454 [0,0,1,0,0,0|1,0,2]=4 348 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 2230a_100000684558_100011206558 [0,0,1,0,0,0|1,0,2]=4 349 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 34a_100000684558_100000765890 [0,0,1,0,0,0|1,0,2]=4 350 B17R0.250 CCCCCCCCCCNCOC(=O)CCC 2230a_100000684558_100000034017 [0,0,1,0,0,0|1,0,2]=4 351 B17R0.250 CCCCCCCCCCNCOC(=O)CCC 34a_100000684558_100000034017 [0,0,1,0,0,0|1,0,2]=4 352 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 34a_100000210711_100000765890 [0,0,1,0,0,0|1,0,2]=4 353 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 7a_100000210711_100011206558 [0,0,1,0,0,0|1,0,2]=4 354 B17R0.250 CCCCCCCCCCOCOC(=O)CCC 34a_100000210711_100000034017 [0,0,1,0,0,0|1,0,2]=4 355 B17R0.250 CCCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210320 [0,0,1,0,0,0|1,0,2]=4 356 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 2230a_100000212291_100009991533 [0,0,1,0,0,0|1,0,2]=4 357 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 34a_100000212291_100009991533 [0,0,1,0,0,0|1,0,2]=4 358 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 34a_100000210712_100009991533 [0,0,1,0,0,0|1,0,2]=4 359 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100000210712_100011215271 [0,0,1,0,0,0|1,0,2]=4 360 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210328 [0,0,1,0,0,0|1,0,2]=4 361 B17R0.250 CCCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210670 [0,0,1,0,0,0|1,0,2]=4 362 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 2230a_100000229939_100000750268 [0,0,1,0,0,0|1,0,2]=4 363 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 34a_100000229939_100000750268 [0,0,1,0,0,0|1,0,2]=4 364 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 34a_100000210232_100000750268 [0,0,1,0,0,0|1,0,2]=4 365 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 7a_100000210232_100000750268 [0,0,1,0,0,0|1,0,2]=4 366 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000210759_100000750268 [0,0,1,0,0,0|1,0,2]=4 367 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210317 [0,0,1,0,0,0|1,0,2]=4 368 B17R0.250 CCCCCCCNCCCCCC(=O)OCC 2230a_100000229938_100000755133 [0,0,1,0,0,0|1,0,2]=4 369 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 34a_100000210272_100000755133 [0,0,1,0,0,0|1,0,2]=4 370 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100000210272_100000755133 [0,0,1,0,0,0|1,0,2]=4 371 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210614 [0,0,1,0,0,0|1,0,2]=4 372 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000210614_100000755133 [0,0,1,0,0,0|1,0,2]=4 373 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210316 [0,0,1,0,0,0|1,0,2]=4 374 B17R0.250 CCCCCCNCCCCCCC(=O)OCC 2230a_100000210581_100009814379 [0,0,1,0,0,0|1,0,2]=4 375 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 34a_100000210259_100009814379 [0,0,1,0,0,0|1,0,2]=4 376 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 7a_100000210259_100009814379 [0,0,1,0,0,0|1,0,2]=4 377 B17R0.250 CCCCCCSCCCCCCC(=O)OCC 62a_100000210314_100009814379 [0,0,1,0,0,0|1,0,2]=4 378 B17R0.250 CCCCCNCCCCCCCC(=O)OCC 2230a_100000209983_100009991516 [0,0,1,0,0,0|1,0,1]=3 379 B17R0.250 CCCCCNCCOCCCCC(=O)OCC 34a_100000224656_100000750268 [0,0,1,0,0,0|2,0,1]=4 380 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 34a_100000210253_100009991516 [0,0,1,0,0,0|1,0,1]=3 381 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 7a_100000210253_100009991516 [0,0,1,0,0,0|1,0,1]=3 382 B17R0.250 CCCCCOCCOCCCCC(=O)OCC 34a_100011215259_100000750268 [0,0,1,0,0,0|2,0,1]=4 383 B17R0.250 CCCCCOCCOCCCCC(=O)OCC 7a_100011215259_100000750268 [0,0,1,0,0,0|2,0,1]=4 384 B17R0.250 CCCCCSCCCCCCCC(=O)OCC 62a_100000210326_100009991516 [0,0,1,0,0,0|1,0,1]=3 385 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 2230a_100000102301_100010175975 [0,0,1,0,0,0|1,0,1]=3 386 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 7a_106832991798_100010175975 [0,0,1,0,0,0|1,0,1]=3 387 B17R0.250 CCCCNCCCCOCCCC(=O)OCC 34a_200011216965_100009991533 [0,0,1,0,0,0|2,0,1]=4 388 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 34a_100000210227_100010175975 [0,0,1,0,0,0|1,0,1]=3 389 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 7a_100000210227_100010175975 [0,0,1,0,0,0|1,0,1]=3 390 B17R0.250 CCCCOCCCCOCCCC(=O)OCC 34a_200000760531_100009991533 [0,0,1,0,0,0|2,0,1]=4 391 B17R0.250 CCCCOCCCCOCCCC(=O)OCC 7a_200000760531_100011215271 [0,0,1,0,0,0|2,0,1]=4 392 B17R0.250 CCCCOCCCNCCCCC(=O)OCC 2230a_200000211371_100000750268 [0,0,1,0,0,0|2,0,1]=4 393 B17R0.250 CCCCOCCCNCCCCC(=O)OCC 34a_200000211371_100000750268 [0,0,1,0,0,0|2,0,1]=4 394 B17R0.250 CCCCOCCCOCCCCC(=O)OCC 34a_200011215613_100000750268 [0,0,1,0,0,0|2,0,1]=4 395 B17R0.250 CCCCOCCCOCCCCC(=O)OCC 7a_200011215613_100000750268 [0,0,1,0,0,0|2,0,1]=4 396 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 34a_100000210238_100000755133 [0,0,1,0,0,0|2,0,1]=4 397 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 7a_100000210238_100000755133 [0,0,1,0,0,0|2,0,1]=4 398 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 7a_100011214988_100000743108 [0,0,1,0,0,0|2,0,1]=4 399 B17R0.250 CCCCOCCSCCCCCC(=O)OCC 62a_100000743108_100000755133 [0,0,1,0,0,0|2,0,1]=4 400 B17R0.250 CCCCOCCSCCCCCC(=O)OCC 62a_100000755133_100000743108 [0,0,1,0,0,0|2,0,1]=4 401 B17R0.250 CCCCOCSCCCCCCC(=O)OCC 62a_100011995733_100009814379 [0,0,1,0,0,0|2,0,1]=4 402 B17R0.250 CCCCSCCCCCCCCC(=O)OCC 62a_100000210211_100010175975 [0,0,1,0,0,0|1,0,1]=3 403 B17R0.250 CCCCSCCNCCCCCC(=O)OCC 2230a_100025743550_100000755133 [0,0,1,0,0,0|2,0,1]=4 404 B17R0.250 CCCCSCCOCCCCCC(=O)OCC 34a_200000230436_100000755133 [0,0,1,0,0,0|2,0,1]=4 405 B17R0.250 CCCCSCCOCCCCCC(=O)OCC 7a_200000230436_100000755133 [0,0,1,0,0,0|2,0,1]=4 406 B17R0.250 CCCNN=CCCCCCCCC(=O)OCC 4a_100000740057_100102623289 [0,0,1,0,0,0|2,0,0]=3 407 B17R0.250 CCCOCCCCCCCCCC(=O)OCC 34a_100000210258_100009828014 [0,0,1,0,0,0|1,0,2]=4 408 B17R0.250 CCCSCCCCCCCCCC(=O)OCC 62a_100000210303_100009828014 [0,0,1,0,0,0|1,0,2]=4 409 B17R0.250 CCNCCCCCCCCCCC(=O)OCC 2230a_100015525214_100009827693 [0,0,1,0,0,0|1,0,2]=4 410 B17R0.250 CCOC(=O)CCCCCCCC=NNCCO 4a_100000210001_100102623289 [0,0,1,0,0,0|3,0,0]=4 411 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 2230a_106832991635_100103168309 [0,0,1,0,0,0|1,0,2]=4 412 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 34a_100102657272_100103168309 [0,0,1,0,0,0|1,0,2]=4 413 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 7a_106832991635_100103168309 [0,0,1,0,0,0|1,0,2]=4 414 B17R0.250 CCOC(=O)CCCCCCCCCCCOC 34a_100138415774_100103168309 [0,0,1,0,0,0|1,0,2]=4 415 B17R0.250 CCOC(=O)CCCCCCCCCCCSC 62a_200000210301_100103168309 [0,0,1,0,0,0|1,0,2]=4 416 B17R0.250 CCOC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100103168309 [0,0,1,0,0,0|1,0,2]=4 417 B17R0.250 CCOC(=O)CCCCCCCCCCSCC 62a_100000210202_100009827693 [0,0,1,0,0,0|1,0,2]=4 418 B17R0.250 CCOC(=O)CCCCCCCCNCCCF 2230a_100015189416_100010175975 [0,0,1,0,0,0|2,0,1]=4 419 B17R0.250 CCOC(=O)CCCCCCCCNCCCF 34a_100015189416_100010175975 [0,0,1,0,0,0|2,0,1]=4 420 B17R0.250 CCOC(=O)CCCCCCCCNCCOC 2230a_100000209980_100010175975 [0,0,1,0,0,0|2,0,1]=4 421 B17R0.250 CCOC(=O)CCCCCCCCNCCSC 2230a_100020590264_100010175975 [0,0,1,0,0,0|2,0,1]=4 422 B17R0.250 CCOC(=O)CCCCCCCCOCCCBr 34a_100011217188_100010175975 [0,0,1,0,0,0|2,0,1]=4 423 B17R0.250 CCOC(=O)CCCCCCCCOCCCCl 34a_100000230001_100010175975 [0,0,1,0,0,0|2,0,1]=4 424 B17R0.250 CCOC(=O)CCCCCCCCOCCCF 34a_100000759539_100010175975 [0,0,1,0,0,0|2,0,1]=4 425 B17R0.250 CCOC(=O)CCCCCCCCOCCCN 34a_100000182051_100010175975 [0,0,1,0,0,0|2,0,1]=4 426 B17R0.250 CCOC(=O)CCCCCCCCOCCOC 34a_100000210237_100010175975 [0,0,1,0,0,0|2,0,1]=4 427 B17R0.250 CCOC(=O)CCCCCCCCOCCSC 34a_100000230434_100010175975 [0,0,1,0,0,0|2,0,1]=4 428 B17R0.250 CCOC(=O)CCCCCCCCOCCSC 7a_100000230434_100010175975 [0,0,1,0,0,0|2,0,1]=4 429 B17R0.250 CCOC(=O)CCCCCCCCSCCCF 62a_100011934791_100010175975 [0,0,1,0,0,0|2,0,1]=4 430 B17R0.250 CCOC(=O)CCCCCCCCSCCCO 62a_100011215043_100010175975 [0,0,1,0,0,0|2,0,1]=4 431 B17R0.250 CCOC(=O)CCCCCCCCSCCOC 62a_100000233755_100010175975 [0,0,1,0,0,0|2,0,1]=4 432 B17R0.250 CCOC(=O)CCCCCCCCSCCSC 62a_100000212216_100010175975 [0,0,1,0,0,0|2,0,1]=4 433 B17R0.250 CCOC(=O)CCCCCCCNCCCCO 2230a_100000750430_100009991516 [0,0,1,0,0,0|2,0,1]=4 434 B17R0.250 CCOC(=O)CCCCCCCNCCCCO 34a_100000750430_100009991516 [0,0,1,0,0,0|2,0,1]=4 435 B17R0.250 CCOC(=O)CCCCCCCNCCCOC 34a_100150723488_100009991516 [0,0,1,0,0,0|2,0,1]=4 436 B17R0.250 CCOC(=O)CCCCCCCNCCCSC 2230a_100000749238_100009991516 [0,0,1,0,0,0|2,0,1]=4 437 B17R0.250 CCOC(=O)CCCCCCCNCCSCC 2230a_100000106463_100009991516 [0,0,1,0,0,0|2,0,1]=4 438 B17R0.250 CCOC(=O)CCCCCCCOCCCCBr 34a_100011216708_100009991516 [0,0,1,0,0,0|2,0,1]=4 439 B17R0.250 CCOC(=O)CCCCCCCOCCCCCl 34a_100000210776_100009991516 [0,0,1,0,0,0|2,0,1]=4 440 B17R0.250 CCOC(=O)CCCCCCCOCCCCCl 7a_100000210776_100009991516 [0,0,1,0,0,0|2,0,1]=4 441 B17R0.250 CCOC(=O)CCCCCCCOCCCCF 34a_100011995726_100009991516 [0,0,1,0,0,0|2,0,1]=4 442 B17R0.250 CCOC(=O)CCCCCCCOCCCCF 7a_100011995726_100009991516 [0,0,1,0,0,0|2,0,1]=4 443 B17R0.250 CCOC(=O)CCCCCCCOCCCCI 34a_200012148704_100009991516 [0,0,1,0,0,0|2,0,1]=4 444 B17R0.250 CCOC(=O)CCCCCCCOCCCCN 34a_100000750430_100009991516 [0,0,1,0,0,0|2,0,1]=4 445 B17R0.250 CCOC(=O)CCCCCCCOCCCNC 34a_100000213112_100009991516 [0,0,1,0,0,0|2,0,1]=4 446 B17R0.250 CCOC(=O)CCCCCCCOCCCOC 34a_100000740835_100009991516 [0,0,1,0,0,0|2,0,1]=4 447 B17R0.250 CCOC(=O)CCCCCCCOCCCSC 34a_100000690336_100009991516 [0,0,1,0,0,0|2,0,1]=4 448 B17R0.250 CCOC(=O)CCCCCCCOCCCSC 7a_100000690336_100009991516 [0,0,1,0,0,0|2,0,1]=4 449 B17R0.250 CCOC(=O)CCCCCCCOCCSCC 34a_100000212035_100009991516 [0,0,1,0,0,0|2,0,1]=4 450 B17R0.250 CCOC(=O)CCCCCCCOCCSCC 7a_100000212035_100009991516 [0,0,1,0,0,0|2,0,1]=4 451 B17R0.250 CCOC(=O)CCCCCCCSCCCCF 62a_100000729493_100009991516 [0,0,1,0,0,0|2,0,1]=4 452 B17R0.250 CCOC(=O)CCCCCCCSCCCCO 62a_100000210776_100009991516 [0,0,1,0,0,0|2,0,1]=4 453 B17R0.250 CCOC(=O)CCCCCCCSCCCOC 62a_100000709357_100009991516 [0,0,1,0,0,0|2,0,1]=4 454 B17R0.250 CCOC(=O)CCCCCCCSCCSCC 62a_100000757381_100009991516 [0,0,1,0,0,0|2,0,1]=4 455 B17R0.250 CCOCCCCCCCCCCC(=O)OCC 34a_100121572206_100009827693 [0,0,1,0,0,0|1,0,2]=4 456 B17R0.250 CCOCCNCCCCCCCC(=O)OCC 2230a_102516460346_100009991516 [0,0,1,0,0,0|2,0,1]=4 457 B17R0.250 CCOCCNCCCCCCCC(=O)OCC 34a_102516460346_100009991516 [0,0,1,0,0,0|2,0,1]=4 458 B17R0.250 CCOCCOCCCCCCCC(=O)OCC 34a_100000210136_100009991516 [0,0,1,0,0,0|2,0,1]=4 459 B17R0.250 CCOCCOCCCCCCCC(=O)OCC 7a_100000210136_100009991516 [0,0,1,0,0,0|2,0,1]=4 460 B17R0.250 CCOCCSCCCCCCCC(=O)OCC 62a_100000210147_100009991516 [0,0,1,0,0,0|2,0,1]=4 461 B17R0.250 CCOCSCCCCCCCCC(=O)OCC 62a_100000739092_100010175975 [0,0,1,0,0,0|2,0,1]=4 462 B17R0.3110 CC/C=C/C/C=C/CCOCC(=O)OCCCC 34a_200016273837_100000211628 [0,0,1,0,0,0|1,0,2]=4 463 B17R0.3110 CC/C=C/C/C=C/CCOCC(=O)OCCCC 7a_200016273837_100000211628 [0,0,1,0,0,0|1,0,2]=4 464 B17R0.3110 CC/C=C/CC/C=C/COCC(=O)OCCCC 34a_100016264143_100000211628 [0,0,1,0,0,0|1,0,2]=4 465 B17R0.3110 CC/C=C/CC/C=C/COCC(=O)OCCCC 7a_100016264143_100000211628 [0,0,1,0,0,0|1,0,2]=4 466 B17R0.3110 CC/C=C\CCCCC=NNC(=O)CCCCC 4a_100000189784_100016288537 [0,0,1,0,0,0|2,0,1]=4 467 B17R0.3110 CC/C=C\CCCCCOCC(=O)CCCCC 34a_100016268722_200012276598 [0,0,1,0,0,0|2,0,0]=3 468 B17R0.3110 CC/C=C\CCCCCOCC(=O)CCCCC 7a_100016268722_200012276598 [0,0,1,0,0,0|2,0,0]=3 469 B17R0.3110 CC/C=C\CCCCCOCC(=O)NCCCC 34a_100016268722_100000182744 [0,0,1,0,0,0|2,0,0]=3 470 B17R0.3110 CC/C=C\CCCCCOCC(=O)NCCCC 7a_100016268722_100000182744 [0,0,1,0,0,0|2,0,0]=3 471 B17R0.3110 CC/C=C\CCCCCOCC(=O)NCCOC 34a_100016268722_100000183275 [0,0,1,0,0,0|3,0,0]=4 472 B17R0.3110 CC/C=C\CCCCCOCC(=O)NCCOC 7a_100016268722_100000183275 [0,0,1,0,0,0|3,0,0]=4 473 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCCC 34a_100016268722_100000211628 [0,0,1,0,0,0|1,0,0]=2 474 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCCC 7a_100016268722_100000211628 [0,0,1,0,0,0|1,0,0]=2 475 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCOC 34a_100016268722_200000040189 [0,0,1,0,0,0|2,0,0]=3 476 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCOC 7a_100016268722_200000040189 [0,0,1,0,0,0|2,0,0]=3 477 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210736 [0,0,1,0,0,0|1,0,2]=4 478 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210736 [0,0,1,0,0,0|1,0,2]=4 479 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210736 [0,0,1,0,0,0|1,0,2]=4 480 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 2230a_106832991635_100000091854 [0,0,1,0,0,0|1,0,2]=4 481 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 34a_100102657272_100000091854 [0,0,1,0,0,0|1,0,2]=4 482 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 7a_106832991635_100000091854 [0,0,1,0,0,0|1,0,2]=4 483 B17R0.3110 CCCCCCCCCCCC(=O)OCCOC 34a_100138415774_100000091854 [0,0,1,0,0,0|1,0,2]=4 484 B17R0.3110 CCCCCCCCCCCC(=O)OCCSC 62a_200000210301_100000091854 [0,0,1,0,0,0|1,0,2]=4 485 B17R0.3110 CCCCCCCCCCCC(=O)OCCS[13CH3] 62a_200025704644_100000091854 [0,0,1,0,0,0|1,0,2]=4 486 B17R0.3110 CCCCCCCCCCCC(=O)OCNCC 2230a_100015525214_100020644155 [0,0,1,0,0,0|1,0,2]=4 487 B17R0.3110 CCCCCCCCCCCC(=O)OCOCC 34a_100121572206_100020644155 [0,0,1,0,0,0|1,0,2]=4 488 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 11a_100000684558_100000212188 [0,0,1,0,0,0|1,0,2]=4 489 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 1626a_100000684558_100000212188 [0,0,1,0,0,0|1,0,2]=4 490 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 240690a_100000684558_100000212188 [0,0,1,0,0,0|1,0,2]=4 491 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 527a_100000684558_100000212188 [0,0,1,0,0,0|1,0,2]=4 492 B17R0.3110 CCCCCCCCCCOC(=O)COCCC 34a_100000210258_100000210668 [0,0,1,0,0,0|1,0,2]=4 493 B17R0.3110 CCCCCCCCCCOC(=O)CSCCC 62a_100000210303_100000680656 [0,0,1,0,0,0|1,0,2]=4 494 B17R0.3110 CCCCCCCCCCOC(=O)CSCCC 62a_100000680656_100000210303 [0,0,1,0,0,0|1,0,2]=4 495 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 2230a_100000212291_100000211628 [0,0,1,0,0,0|1,0,2]=4 496 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 34a_100000212291_100000211628 [0,0,1,0,0,0|1,0,2]=4 497 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 34a_100000210712_100000211628 [0,0,1,0,0,0|1,0,2]=4 498 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 7a_100000210712_100000211628 [0,0,1,0,0,0|1,0,2]=4 499 B17R0.3110 CCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210670 [0,0,1,0,0,0|1,0,2]=4 500 B17R0.8809 C#CCCCCCCCC(=O)NCCCCCC 11a_100000210581_100000087357 [0,0,1,0,0,0|1,0,2]=4 501 B17R0.8809 C#CCCCCCCCC(=O)NCCCCCC 1626a_100000210581_100000087357 [0,0,1,0,0,0|1,0,2]=4 502 B17R0.8809 C#CCCCCCCCC(=O)NCCCCCC 240690a_100000210581_100000087357 [0,0,1,0,0,0|1,0,2]=4 503 B17R0.8809 C#CCCCCCCCC(=O)NCCCCCC 527a_100000210581_100000087357 [0,0,1,0,0,0|1,0,2]=4 504 B17R0.8809 C#CCCCCNC(=O)CCCCCCCC=C 11a_100000706060_100011216160 [0,0,1,0,0,0|1,0,2]=4 505 B17R0.8809 C#CCCCCNC(=O)CCCCCCCC=C 1626a_100000706060_100011216160 [0,0,1,0,0,0|1,0,2]=4 506 B17R0.8809 C#CCCCCNC(=O)CCCCCCCC=C 240690a_100000706060_100011216160 [0,0,1,0,0,0|1,0,2]=4 507 B17R0.8809 C#CCCCCNC(=O)CCCCCCCC=C 527a_100000706060_100011216160 [0,0,1,0,0,0|1,0,2]=4 508 B17R0.8809 C#CCCCCNCOC(=O)CCCCCCC 2230a_100000706060_100009852258 [0,0,1,0,0,0|1,0,2]=4 509 B17R0.8809 C#CCCCCNCOC(=O)CCCCCCC 34a_100000706060_100009852258 [0,0,1,0,0,0|1,0,2]=4 510 B17R0.8809 C#CCCCCOCOC(=O)CCCCCCC 34a_100000766709_100009852258 [0,0,1,0,0,0|1,0,2]=4 511 B17R0.8809 C#CCCCCOCOC(=O)CCCCCCC 7a_100000766709_100009852258 [0,0,1,0,0,0|1,0,2]=4 512 B17R0.8809 C#CCCCCSCOC(=O)CCCCCCC 62a_100010269958_100009852258 [0,0,1,0,0,0|1,0,2]=4 513 B17R0.8809 C=CCCCCCCCC(=O)CCCCCC#N 1458a_100011216160_100009813376 [0,0,1,0,0,0|2,0,1]=4 514 B17R0.8809 C=CCCCCCCCC(=O)CCCCCCO 1458a_100011216160_100000766143 [0,0,1,0,0,0|2,0,0]=3 515 B17R0.8809 C=CCCCCCCCC(=O)CCCCCCO 1458a_100011996774_100012355270 [0,0,1,0,0,0|2,0,0]=3 516 B17R0.8809 C=CCCCCCCCC(=O)CCCCCOC 1458a_100011935119_100012355270 [0,0,1,0,0,0|2,0,0]=3 517 B17R0.8809 C=CCCCCCCCC(=O)CCOCCCC 1458a_100011216160_100000743108 [0,0,1,0,0,0|2,0,0]=3 518 B17R0.8809 C=CCCCCCCCC(=O)CCOCCOC 1458a_100000745395_100012355270 [0,0,1,0,0,0|3,0,0]=4 519 B17R0.8809 C=CCCCCCCCC(=O)CCOCCOC 1458a_100011216160_100000695917 [0,0,1,0,0,0|3,0,0]=4 520 B17R0.8809 C=CCCCCCCCC(=O)NCCCCC#N 11a_100000751965_100011216160 [0,0,1,0,0,0|2,0,1]=4 521 B17R0.8809 C=CCCCCCCCC(=O)NCCCCC#N 1626a_100000751965_100011216160 [0,0,1,0,0,0|2,0,1]=4 522 B17R0.8809 C=CCCCCCCCC(=O)NCCCCC#N 240690a_100000751965_100011216160 [0,0,1,0,0,0|2,0,1]=4 523 B17R0.8809 C=CCCCCCCCC(=O)NCCCCC#N 527a_100000751965_100011216160 [0,0,1,0,0,0|2,0,1]=4 524 B17R0.8809 C=CCCCCCCCC(=O)NCCCCC=C 11a_100000703577_100011216160 [0,0,1,0,0,0|1,0,2]=4 525 B17R0.8809 C=CCCCCCCCC(=O)NCCCCC=C 1626a_100000703577_100011216160 [0,0,1,0,0,0|1,0,2]=4 526 B17R0.8809 C=CCCCCCCCC(=O)NCCCCC=C 240690a_100000703577_100011216160 [0,0,1,0,0,0|1,0,2]=4 527 B17R0.8809 C=CCCCCCCCC(=O)NCCCCC=C 527a_100000703577_100011216160 [0,0,1,0,0,0|1,0,2]=4 528 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 11a_100000210581_100011216160 [0,0,1,0,0,0|1,0,0]=2 529 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 1626a_100000210581_100011216160 [0,0,1,0,0,0|1,0,0]=2 530 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 240690a_100000210581_100011216160 [0,0,1,0,0,0|1,0,0]=2 531 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 527a_100000210581_100011216160 [0,0,1,0,0,0|1,0,0]=2 532 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCO 240690a_100000762737_100011216160 [0,0,1,0,0,0|2,0,0]=3 533 B17R0.8809 C=CCCCCCCCC(=O)NCCCOCC 11a_100000210961_100011216160 [0,0,1,0,0,0|2,0,0]=3 534 B17R0.8809 C=CCCCCCCCC(=O)NCCCOCC 1626a_100000210961_100011216160 [0,0,1,0,0,0|2,0,0]=3 535 B17R0.8809 C=CCCCCCCCC(=O)NCCCOCC 240690a_100000210961_100011216160 [0,0,1,0,0,0|2,0,0]=3 536 B17R0.8809 C=CCCCCCCCC(=O)NCCCOCC 527a_100000210961_100011216160 [0,0,1,0,0,0|2,0,0]=3 537 B17R0.8809 C=CCCCCCCCC(=O)NCCOCCC 1626a_100161115042_100011216160 [0,0,1,0,0,0|2,0,0]=3 538 B17R0.8809 C=CCCCCCCCC(=O)NCCOCCC 240690a_100161115042_100011216160 [0,0,1,0,0,0|2,0,0]=3 539 B17R0.8809 C=CCCCCCCCC(=O)NCCOCCC 527a_100161115042_100011216160 [0,0,1,0,0,0|2,0,0]=3 540 B17R0.8809 C=CCCCCCCCC(=O)NCCOCCO 240690a_100000211614_100011216160 [0,0,1,0,0,0|3,0,0]=4 541 B17R0.8809 C=CCCCCCCCC(=O)NCCSCCC 11a_100020603323_100011216160 [0,0,1,0,0,0|2,0,0]=3 542 B17R0.8809 C=CCCCCCCCC(=O)NCCSCCC 240690a_100020603323_100011216160 [0,0,1,0,0,0|2,0,0]=3 543 B17R0.8809 C=CCCCCCCCC(=O)NCCSCCC 527a_100020603323_100011216160 [0,0,1,0,0,0|2,0,0]=3 544 B17R0.8809 C=CCCCCCCCC(=O)NCCSCCO 240690a_100011219999_100011216160 [0,0,1,0,0,0|3,0,0]=4 545 B17R0.8809 C=CCCCCCCCC(=O)NCCSCCO 527a_100011219999_100011216160 [0,0,1,0,0,0|3,0,0]=4 546 B17R0.8809 C=CCCCCCCCC(=O)NNCCCCC 22a_100000694160_100011216160 [0,0,1,0,0,0|2,0,0]=3 547 B17R0.8809 C=CCCCCCCCC(=O)NNCCCOC 22a_100025702787_100011216160 [0,0,1,0,0,0|3,0,0]=4 548 B17R0.8809 C=CCCCCCCCC(=O)NNCCOCC 22a_100000732670_100011216160 [0,0,1,0,0,0|3,0,0]=4 549 B17R0.8809 C=CCCCCCOCC(=O)NCCCCCC 34a_100011216702_100000230325 [0,0,1,0,0,0|2,0,0]=3 550 B17R0.8809 C=CCCCCCOCC(=O)NCCCCCC 7a_100011216702_100000230325 [0,0,1,0,0,0|2,0,0]=3 551 B17R0.8809 C=CCCCCCSCC(=O)NCCCCCC 62a_100000230325_100000700193 [0,0,1,0,0,0|2,0,0]=3 552 B17R0.8809 C=CCCCCNCOC(=O)CCCCCCC 2230a_100000703577_100009852258 [0,0,1,0,0,0|1,0,0]=2 553 B17R0.8809 C=CCCCCNCOC(=O)CCCCCCC 34a_100000703577_100009852258 [0,0,1,0,0,0|1,0,0]=2 554 B17R0.8809 C=CCCCCOCOC(=O)CCCCCCC 34a_100000766645_100009852258 [0,0,1,0,0,0|1,0,0]=2 555 B17R0.8809 C=CCCCCOCOC(=O)CCCCCCC 7a_100000766645_100009852258 [0,0,1,0,0,0|1,0,0]=2 556 B17R0.8809 C=CCCCCSCOC(=O)CCCCCCC 62a_100011215482_100009852258 [0,0,1,0,0,0|1,0,0]=2 557 B17R0.8809 C=CCOCCOCOC(=O)CCCCCCC 34a_100000037705_100009852258 [0,0,1,0,0,0|2,0,0]=3 558 B17R0.8809 C=CCOCCOCOC(=O)CCCCCCC 7a_100000037705_100009852258 [0,0,1,0,0,0|2,0,0]=3 559 B17R0.8809 C=COCCCCOCC(=O)NCCCCCC 34a_100000031558_100000230325 [0,0,1,0,0,0|3,0,0]=4 560 B17R0.8809 C=COCCCCOCC(=O)NCCCCCC 7a_100000031558_100000230325 [0,0,1,0,0,0|3,0,0]=4 561 B17R0.8809 C=COCCCNCOC(=O)CCCCCCC 2230a_100000210767_100009852258 [0,0,1,0,0,0|2,0,0]=3 562 B17R0.8809 C=COCCCNCOC(=O)CCCCCCC 34a_100000210767_100009852258 [0,0,1,0,0,0|2,0,0]=3 563 B17R0.8809 CC=CCCCOCOC(=O)CCCCCCC 34a_100020645299_100009852258 [0,0,1,0,0,0|1,0,2]=4 564 B17R0.8809 CCCCCCCC(=O)CCCCCCCCO 1458a_100000211969_100000033203 [0,0,1,0,0,0|2,0,1]=4 565 B17R0.8809 CCCCCCCC(=O)NCCCCCCCO 240690a_100011996573_100000211969 [0,0,1,0,0,0|2,0,1]=4 566 B17R0.8809 CCCCCCCC(=O)OCNCCCCCC 2230a_100000210581_100009852258 [0,0,1,0,0,0|1,0,2]=4 567 B17R0.8809 CCCCCCCC(=O)OCNCCCCCO 2230a_100000762737_100009852258 [0,0,1,0,0,0|2,0,1]=4 568 B17R0.8809 CCCCCCCC(=O)OCNCCCCCO 34a_100000762737_100009852258 [0,0,1,0,0,0|2,0,1]=4 569 B17R0.8809 CCCCCCCC(=O)OCOCCCCCBr 34a_100000746331_100009852258 [0,0,1,0,0,0|2,0,1]=4 570 B17R0.8809 CCCCCCCC(=O)OCOCCCCCBr 7a_100000746331_100009852258 [0,0,1,0,0,0|2,0,1]=4 571 B17R0.8809 CCCCCCCC(=O)OCOCCCCCC 34a_100000210259_100009852258 [0,0,1,0,0,0|1,0,2]=4 572 B17R0.8809 CCCCCCCC(=O)OCOCCCCCC 7a_100000210259_100009852258 [0,0,1,0,0,0|1,0,2]=4 573 B17R0.8809 CCCCCCCC(=O)OCOCCCCCCl 34a_100000746330_100009852258 [0,0,1,0,0,0|2,0,1]=4 574 B17R0.8809 CCCCCCCC(=O)OCOCCCCCCl 7a_100000746330_100009852258 [0,0,1,0,0,0|2,0,1]=4 575 B17R0.8809 CCCCCCCC(=O)OCOCCCCCI 34a_200012148887_100009852258 [0,0,1,0,0,0|2,0,1]=4 576 B17R0.8809 CCCCCCCC(=O)OCOCCCCCI 7a_200012148887_100009852258 [0,0,1,0,0,0|2,0,1]=4 577 B17R0.8809 CCCCCCCC(=O)OCOCCCCCN 34a_100000762737_100009852258 [0,0,1,0,0,0|2,0,1]=4 578 B17R0.8809 CCCCCCCC(=O)OCOCCCCOC 34a_100000740925_100009852258 [0,0,1,0,0,0|2,0,1]=4 579 B17R0.8809 CCCCCCCC(=O)OCOCCCCSC 34a_100011217163_100009852258 [0,0,1,0,0,0|2,0,1]=4 580 B17R0.8809 CCCCCCCC(=O)OCOCCCCSC 7a_100011217163_100009852258 [0,0,1,0,0,0|2,0,1]=4 581 B17R0.8809 CCCCCCCC(=O)OCSCCCCC#N 62a_100011219923_100009852258 [0,0,1,0,0,0|2,0,1]=4 582 B17R0.8809 CCCCCCCC(=O)OCSCCCCC=O 62a_100000139335_100009852258 [0,0,1,0,0,0|2,0,0]=3 583 B17R0.8809 CCCCCCCC(=O)OCSCCCCCF 62a_100000729378_100009852258 [0,0,1,0,0,0|2,0,1]=4 584 B17R0.8809 CCCCCCCC(=O)OCSCCCCCO 62a_100000746330_100009852258 [0,0,1,0,0,0|2,0,1]=4 585 B17R0.8809 CCCCCCCC(=O)OCSCCCCOC 62a_100000730899_100009852258 [0,0,1,0,0,0|2,0,1]=4 586 B17R0.8809 CCCCCCCCCC(=O)NCCCCCC 11a_100000210581_100000210558 [0,0,1,0,0,0|1,0,2]=4 587 B17R0.8809 CCCCCCCCCC(=O)NCCCCCC 1626a_100000210581_100000210558 [0,0,1,0,0,0|1,0,2]=4 588 B17R0.8809 CCCCCCCCCC(=O)NCCCCCC 240690a_100000210581_100000210558 [0,0,1,0,0,0|1,0,2]=4 589 B17R0.8809 CCCCCCCCCC(=O)NCCCCCC 527a_100000210581_100000210558 [0,0,1,0,0,0|1,0,2]=4 590 B17R0.8809 CCCCCCCCCC(=O)OCNCCCC 2230a_100000102301_200010990708 [0,0,1,0,0,0|1,0,2]=4 591 B17R0.8809 CCCCCCCCCC(=O)OCNCCCC 7a_106832991798_200010990708 [0,0,1,0,0,0|1,0,2]=4 592 B17R0.8809 CCCCCCCCCC(=O)OCOCCCC 34a_100000210227_200010990708 [0,0,1,0,0,0|1,0,2]=4 593 B17R0.8809 CCCCCCCCCC(=O)OCOCCCC 7a_100000210227_200010990708 [0,0,1,0,0,0|1,0,2]=4 594 B17R0.8809 CCCCCCCCNC(=O)CCCCCCC 11a_100000229939_100000211969 [0,0,1,0,0,0|1,0,2]=4 595 B17R0.8809 CCCCCCCCNC(=O)CCCCCCC 1626a_100000229939_100000211969 [0,0,1,0,0,0|1,0,2]=4 596 B17R0.8809 CCCCCCCCNC(=O)CCCCCCC 240690a_100000229939_100000211969 [0,0,1,0,0,0|1,0,2]=4 597 B17R0.8809 CCCCCCCCNC(=O)CCCCCCC 527a_100000229939_100000211969 [0,0,1,0,0,0|1,0,2]=4 598 B17R0.8809 CCCCCCNC(=O)CCCCCCCCO 240690a_100000210581_100000015970 [0,0,1,0,0,0|2,0,1]=4 599 B17R0.8809 CCCCCCNC(=O)CSCCCCCC=O 62a_100000230325_100000139337 [0,0,1,0,0,0|3,0,0]=4 600 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000211349 [0,0,1,0,0,0|1,0,2]=4 601 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000211349 [0,0,1,0,0,0|1,0,2]=4 602 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000211349 [0,0,1,0,0,0|1,0,2]=4 603 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 527a_100000209983_100000211349 [0,0,1,0,0,0|1,0,2]=4 604 B17R0.12412 CC#CCCCCCCCC(=O)NCCCCC 11a_100000209983_100000066323 [0,0,1,0,0,0|1,0,2]=4 605 B17R0.12412 CC#CCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000066323 [0,0,1,0,0,0|1,0,2]=4 606 B17R0.12412 CC#CCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000066323 [0,0,1,0,0,0|1,0,2]=4 607 B17R0.12412 CC#CCCCCCCCC(=O)NCCCCC 527a_100000209983_100000066323 [0,0,1,0,0,0|1,0,2]=4 608 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000210375 [0,0,1,0,0,0|1,0,2]=4 609 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000210375 [0,0,1,0,0,0|1,0,2]=4 610 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000210375 [0,0,1,0,0,0|1,0,2]=4 611 B17R0.12412 CCCCCCCCCNC(=O)CCCCCC 11a_100000212291_100102632555 [0,0,1,0,0,0|1,0,2]=4 612 B17R0.12412 CCCCCCCCCNC(=O)CCCCCC 1626a_100000212291_100102632555 [0,0,1,0,0,0|1,0,2]=4 613 B17R0.12412 CCCCCCCCCNC(=O)CCCCCC 240690a_100000212291_100102632555 [0,0,1,0,0,0|1,0,2]=4 614 B17R0.12412 CCCCCCCCCNC(=O)CCCCCC 527a_100000212291_100102632555 [0,0,1,0,0,0|1,0,2]=4 615 B16R0.274 CCCCC/C=C/COCCCCCC(=O)N 34a_100016258190_100009817443 [1,0,1,0,0,0|2,0,0]=4 616 B16R0.274 CCCCC/C=C/COCCCCCC(=O)N 7a_100016258190_100009817443 [1,0,1,0,0,0|2,0,0]=4 617 B16R0.274 CCCCC/C=C/COCCCCOC(=O)C 34a_100016258190_100000033659 [1,0,1,0,0,0|1,0,0]=3 618 B16R0.274 CCCCC/C=C/COCCCCOC(=O)C 7a_100016258190_100000033659 [1,0,1,0,0,0|1,0,0]=3 619 B16R0.274 CCCCC/C=C/COCCCCSC(=O)C 34a_100016258190_200010402107 [1,0,1,0,0,0|1,1,0]=4 620 B16R0.274 CCCCC/C=C/COCCCCSC(=O)C 7a_100016258190_200010402107 [1,0,1,0,0,0|1,1,0]=4 621 B16R0.274 CCCCC/C=C/COCOCCOC(=O)C 34a_100016258190_100000076355 [1,0,1,0,0,0|2,0,0]=4 622 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 34a_100020655193_100000685027 [1,0,1,0,0,0|1,0,0]=3 623 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 7a_100020655193_100011215641 [1,0,1,0,0,0|1,0,0]=3 624 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)N 34a_100020655193_100102525003 [1,0,1,0,0,0|2,0,0]=4 625 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)N 7a_100020655193_100102525003 [1,0,1,0,0,0|2,0,0]=4 626 B16R0.274 CCCCC/C=C\CCCOCCNC(=O)C 7a_100020655193_100000189650 [1,0,1,0,0,0|2,0,0]=4 627 B16R0.274 CCCCC/C=C\CCCOCCOC(=O)C 34a_100020655193_100009814007 [1,0,1,0,0,0|1,0,0]=3 628 B16R0.274 CCCCC/C=C\CCCOCCOC(=O)C 7a_100020655193_100009814007 [1,0,1,0,0,0|1,0,0]=3 629 B16R0.274 CCCCC/C=C\CCCOCCOC(=O)N 34a_100020655193_200011214921 [1,0,1,0,0,0|2,0,0]=4 630 B16R0.274 CCCCC/C=C\CCCOCCOC(=O)N 7a_100020655193_200011214921 [1,0,1,0,0,0|2,0,0]=4 631 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 34a_100016277358_100009817362 [1,0,1,0,0,0|1,0,0]=3 632 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 7a_100016277358_100000735457 [1,0,1,0,0,0|1,0,0]=3 633 B16R0.274 CCCCC/C=C\CCOCCCOC(=O)C 34a_100016277358_100000042594 [1,0,1,0,0,0|1,0,0]=3 634 B16R0.274 CCCCC/C=C\CCOCCCOC(=O)C 7a_100016277358_100000042594 [1,0,1,0,0,0|1,0,0]=3 635 B16R0.274 CCCCC/C=C\CCOCCCOC(=S)C 34a_100016277358_200135323944 [1,0,1,0,0,0|1,1,0]=4 636 B16R0.274 CCCCC/C=C\CCOCCCOC(=S)C 7a_100016277358_200135323944 [1,0,1,0,0,0|1,1,0]=4 637 B16R0.274 CCCCC/C=C\CCOCCCSC(=O)C 34a_100016277358_100000038929 [1,0,1,0,0,0|1,1,0]=4 638 B16R0.274 CCCCC/C=C\CCOCCCSC(=O)C 7a_100016277358_100000038929 [1,0,1,0,0,0|1,1,0]=4 639 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 34a_200016276170_100009817362 [1,0,1,0,0,0|1,0,0]=3 640 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 7a_200016276170_100000735457 [1,0,1,0,0,0|1,0,0]=3 641 B16R0.274 CCCCCC/C=C/COCCCOC(=O)C 34a_200016276170_100000042594 [1,0,1,0,0,0|1,0,0]=3 642 B16R0.274 CCCCCC/C=C/COCCCOC(=O)C 7a_200016276170_100000042594 [1,0,1,0,0,0|1,0,0]=3 643 B16R0.274 CCCCCC/C=C/COCCCOC(=S)C 34a_200016276170_200135323944 [1,0,1,0,0,0|1,1,0]=4 644 B16R0.274 CCCCCC/C=C/COCCCOC(=S)C 7a_200016276170_200135323944 [1,0,1,0,0,0|1,1,0]=4 645 B16R0.274 CCCCCC/C=C/COCCCSC(=O)C 34a_200016276170_100000038929 [1,0,1,0,0,0|1,1,0]=4 646 B16R0.274 CCCCCC/C=C/COCCCSC(=O)C 7a_200016276170_100000038929 [1,0,1,0,0,0|1,1,0]=4 647 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [1,0,1,0,0,0|1,0,1]=4 648 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [1,0,1,0,0,0|1,0,1]=4 649 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [1,0,1,0,0,0|1,0,1]=4 650 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [1,0,1,0,0,0|1,0,1]=4 651 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [1,0,1,0,0,0|1,0,1]=4 652 B16R0.274 CCCCCCCCCCCNCOC(=O)C 34a_200011215754_100009813279 [1,0,1,0,0,0|1,0,1]=4 653 B16R0.274 CCCCCCCCCCCOCOC(=O)C 34a_100000210809_100009813279 [1,0,1,0,0,0|1,0,1]=4 654 B16R0.274 CCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011215454 [1,0,1,0,0,0|1,0,1]=4 655 B16R0.274 CCCCCCCCCCNCCOC(=O)C 34a_100000684558_100009814007 [1,0,1,0,0,0|1,0,1]=4 656 B16R0.274 CCCCCCCCCCOCCOC(=O)C 34a_100000210711_100009814007 [1,0,1,0,0,0|1,0,1]=4 657 B16R0.274 CCCCCCCCCCOCCOC(=O)C 7a_100000210711_100009814007 [1,0,1,0,0,0|1,0,1]=4 658 B16R0.274 CCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210320 [1,0,1,0,0,0|1,0,1]=4 659 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [1,0,1,0,0,0|1,0,1]=4 660 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [1,0,1,0,0,0|1,0,1]=4 661 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [1,0,1,0,0,0|1,0,1]=4 662 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [1,0,1,0,0,0|1,0,1]=4 663 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [1,0,1,0,0,0|1,0,1]=4 664 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [1,0,1,0,0,0|1,0,1]=4 665 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [1,0,1,0,0,0|1,0,1]=4 666 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [1,0,1,0,0,0|1,0,1]=4 667 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [1,0,1,0,0,0|1,0,1]=4 668 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [1,0,1,0,0,0|1,0,1]=4 669 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [1,0,1,0,0,0|1,0,1]=4 670 B16R0.274 CCCCCCCNCCCCCOC(=O)C 2230a_100000229938_100009813381 [1,0,1,0,0,0|1,0,1]=4 671 B16R0.274 CCCCCCCOCCCCCOC(=O)C 34a_100000210272_100000033007 [1,0,1,0,0,0|1,0,1]=4 672 B16R0.274 CCCCCCCOCCCCCOC(=O)C 7a_100000210272_100000033007 [1,0,1,0,0,0|1,0,1]=4 673 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210316 [1,0,1,0,0,0|1,0,1]=4 674 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000210614_100000033007 [1,0,1,0,0,0|1,0,1]=4 675 B16R0.274 CCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210314 [1,0,1,0,0,0|2,0,0]=4 676 B16R0.274 CCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210314 [1,0,1,0,0,0|2,0,0]=4 677 B16R0.274 CCCCCCOCCOCCCOC(=O)C 34a_100000691444_100000042594 [1,0,1,0,0,0|2,0,0]=4 678 B16R0.274 CCCCCCOCCOCCCOC(=O)C 7a_100000691444_100000042594 [1,0,1,0,0,0|2,0,0]=4 679 B16R0.303 C/C=C/CCCCCCCC=NNCCCC 4a_100025702795_200043464624 [1,0,1,0,0,0|2,0,0]=4 680 B16R0.303 C=CCCCCCCCCOCCCCCN 34a_100000762737_100011933949 [1,0,1,0,0,0|1,0,1]=4 681 B16R0.303 C=CCCCCCCCCOCCCCCO 34a_100011215194_100000746330 [1,0,1,0,0,0|1,0,1]=4 682 B16R0.303 C=CCCCCCCCCOCCCCCO 7a_100011215194_100000746330 [1,0,1,0,0,0|1,0,1]=4 683 B16R0.303 C=CCCCCCCCCOCCCCOC 34a_100000740925_100011933949 [1,0,1,0,0,0|1,0,1]=4 684 B16R0.303 C=CCCCCCCCCOCCCCOC 34a_100011215194_100000755781 [1,0,1,0,0,0|1,0,1]=4 685 B16R0.303 C=CCCCCCCCCOCCCCOC 7a_100011215194_100000730899 [1,0,1,0,0,0|1,0,1]=4 686 B16R0.303 C=CCCCCCCCCOCCCOCC 34a_100000757476_100011933949 [1,0,1,0,0,0|1,0,1]=4 687 B16R0.303 C=CCCCCCCCCOCCCOCC 34a_100011215194_100012232248 [1,0,1,0,0,0|1,0,1]=4 688 B16R0.303 C=CCCCCCCCCOCCCOCC 7a_100000757476_100011933949 [1,0,1,0,0,0|1,0,1]=4 689 B16R0.303 C=CCCCCCCCCOCCCOCC 7a_100011215194_100012232248 [1,0,1,0,0,0|1,0,1]=4 690 B16R0.303 C=CCCCCCCCCOCCOCCC 34a_100000752267_100011933949 [1,0,1,0,0,0|1,0,1]=4 691 B16R0.303 C=CCCCCCCCCOCCOCCC 34a_100011215194_100011215938 [1,0,1,0,0,0|1,0,1]=4 692 B16R0.303 C=CCCCCCCCCOCCOCCC 7a_100000752267_100011933949 [1,0,1,0,0,0|1,0,1]=4 693 B16R0.303 C=CCCCCCCCCOCCOCCC 7a_100011215194_100011215938 [1,0,1,0,0,0|1,0,1]=4 694 B16R0.303 C=CCCCCCCCCOCOCCCC 34a_100011215194_100011995733 [1,0,1,0,0,0|1,0,1]=4 695 B16R0.303 C=CCCCCCCCNCCCCCCO 2230a_100000686447_100012355270 [1,0,1,0,0,0|2,0,0]=4 696 B16R0.303 C=CCCCCCCCNCCCCCCO 34a_100000686447_100012355270 [1,0,1,0,0,0|2,0,0]=4 697 B16R0.303 C=CCCCCCCCOCCCCCCO 34a_100000730831_100000766143 [1,0,1,0,0,0|2,0,0]=4 698 B16R0.303 C=CCCCCCCCOCCCCCCO 7a_100000730831_100000766143 [1,0,1,0,0,0|2,0,0]=4 699 B16R0.303 C=CCCCCCCCSCCCCCCO 62a_100000766143_100012355270 [1,0,1,0,0,0|2,0,0]=4 700 B16R0.303 C=CCCCCCCCSCCCCCCO 62a_100012355270_100000766143 [1,0,1,0,0,0|2,0,0]=4 701 B16R0.303 C=CCCCCCCOCCCCCCCN 34a_100011996573_100011215473 [1,0,1,0,0,0|1,0,1]=4 702 B16R0.303 C=CCCCCCCOCCCCCCCO 34a_200011216477_100000760002 [1,0,1,0,0,0|1,0,1]=4 703 B16R0.303 C=CCCCCCCOCCCCCCCO 7a_200011216477_100000760002 [1,0,1,0,0,0|1,0,1]=4 704 B16R0.303 C=CCCCCCCOCCCCCCOC 34a_200011216477_100011998445 [1,0,1,0,0,0|1,0,1]=4 705 B16R0.303 C=CCCCCCCOCCCCCCOC 34a_200012092642_100011215473 [1,0,1,0,0,0|1,0,1]=4 706 B16R0.303 C=CCCCCCCOCCCCCCOC 7a_200011216477_100011998445 [1,0,1,0,0,0|1,0,1]=4 707 B16R0.303 C=CCCCCCCOCCCCCCOC 7a_200012092642_100011215473 [1,0,1,0,0,0|1,0,1]=4 708 B16R0.303 C=CCCCCCCOCCCOCCCC 34a_200011215613_100011215473 [1,0,1,0,0,0|1,0,1]=4 709 B16R0.303 C=CCCCCCCOCCCOCCCC 7a_200011215613_100011215473 [1,0,1,0,0,0|1,0,1]=4 710 B16R0.303 C=CCCCCCCOCCNCCCCC 34a_100000224656_100011215473 [1,0,1,0,0,0|1,0,1]=4 711 B16R0.303 C=CCCCCCCOCCOCCCCC 34a_100011215259_100011215473 [1,0,1,0,0,0|1,0,1]=4 712 B16R0.303 C=CCCCCCCOCCOCCCCC 7a_100011215259_100011215473 [1,0,1,0,0,0|1,0,1]=4 713 B16R0.303 C=CCCCCCOCCOCCCCCC 34a_100000691444_100000700193 [1,0,1,0,0,0|1,0,1]=4 714 B16R0.303 C=CCCCCCOCCOCCCCCC 7a_100000691444_100000700193 [1,0,1,0,0,0|1,0,1]=4 715 B16R0.303 CC/C=C\CCCCCOCCOCCCC 34a_100016268722_100000743108 [1,0,1,0,0,0|1,0,1]=4 716 B16R0.303 CC/C=C\CCCCCOCCOCCCC 7a_100016268722_100000743108 [1,0,1,0,0,0|1,0,1]=4 717 B16R0.303 CCCC/C=C/CCCCOCCCOCC 34a_200020645093_100012232248 [1,0,1,0,0,0|1,0,1]=4 718 B16R0.303 CCCC/C=C/CCCCOCCCOCC 7a_200020645093_100012232248 [1,0,1,0,0,0|1,0,1]=4 719 B16R0.303 CCCC/C=C/CCCCOCOCCCC 34a_200020645093_100011995733 [1,0,1,0,0,0|1,0,1]=4 720 B16R0.303 CCCCC/C=C/COCCCCCCOC 34a_100016258190_100011998445 [1,0,1,0,0,0|1,0,1]=4 721 B16R0.303 CCCCC/C=C/COCCCCCCOC 7a_100016258190_100011998445 [1,0,1,0,0,0|1,0,1]=4 722 B16R0.303 CCCCC/C=C\CCCOCCCCOC 34a_100020655193_100000755781 [1,0,1,0,0,0|1,0,1]=4 723 B16R0.303 CCCCC/C=C\CCCOCCCCOC 7a_100020655193_100000730899 [1,0,1,0,0,0|1,0,1]=4 724 B16R0.303 CCCCC/C=C\CCCOCCOCCC 34a_100020655193_100011215938 [1,0,1,0,0,0|1,0,1]=4 725 B16R0.303 CCCCC/C=C\CCCOCCOCCC 7a_100020655193_100011215938 [1,0,1,0,0,0|1,0,1]=4 726 B16R0.303 CCCCCC/C=C/COCCCCCC=O 7a_200016276170_100000139337 [1,0,1,0,0,0|1,0,0]=3 727 B16R0.303 CCCCCC/C=C/COCCCCCCO 34a_200016276170_100000766143 [1,0,1,0,0,0|1,0,1]=4 728 B16R0.303 CCCCCC/C=C/COCCCCCCO 7a_200016276170_100000766143 [1,0,1,0,0,0|1,0,1]=4 729 B16R0.303 CCCCCCCC/C=C/COCCCCO 34a_200020667288_100011216708 [1,0,1,0,0,0|1,0,1]=4 730 B16R0.303 CCCCCCCC/C=C/COCCCCO 7a_200020667288_100000210776 [1,0,1,0,0,0|1,0,1]=4 731 B16R0.303 O=CCCCCCNCCCCCCCCO 2230a_102515433106_100000139337 [1,0,1,0,0,0|1,0,1]=4 732 B16R0.303 O=CCCCCCSCCCCCCCCO 62a_100000033203_100000139337 [1,0,1,0,0,0|1,0,1]=4 733 B16R0.303 O=CCCCCCSCCCCCCCCO 62a_100000139337_100000033203 [1,0,1,0,0,0|1,0,1]=4 734 B16R0.303 O=CCCCCNCCCCCCCCCO 2230a_100000078944_100000139335 [1,0,1,0,0,0|1,0,1]=4 735 B16R0.303 O=CCCCCSCCCCCCCCCO 62a_100000139335_100009813782 [1,0,1,0,0,0|1,0,1]=4 736 B16R0.303 O=CCCCCSCCCCCCCCCO 62a_100009813782_100000139335 [1,0,1,0,0,0|1,0,1]=4 737 B16R0.303 O=CCCCNCCCCCCCCCCO 2230a_100000066964_200011292268 [1,0,1,0,0,0|1,0,1]=4 738 B16R0.303 O=CCCCSCCCCCCCCCCO 62a_100009813290_200011292268 [1,0,1,0,0,0|1,0,1]=4 739 B16R0.303 O=CCCCSCCCCCCCCCCO 62a_200011292268_200000033068 [1,0,1,0,0,0|1,0,1]=4 740 B16R0.303 O=CCNCCCCCCCCCCCCO 2230a_100000066677_200015260668 [1,0,1,0,0,0|1,0,1]=4 741 B16R0.303 O=CCNCCCCCCCCCCCCO 34a_100000066677_200009817547 [1,0,1,0,0,0|1,0,1]=4 742 B16R0.303 O=CCSCCCCCCCCCCCCO 62a_100009813331_200015260668 [1,0,1,0,0,0|1,0,1]=4 743 B16R0.136 C#CCCCCCC(=O)CCCCCCC=C 1458a_100000694772_100011215473 [1,0,1,0,0,0|0,0,2]=4 744 B16R0.136 C#CCCCCCC(=O)CCCCCCC=C 1458a_100011809334_100012094781 [1,0,1,0,0,0|0,0,2]=4 745 B16R0.136 C#CCCCCCCC(=O)CCCCCCC 1458a_100000034748_100000210614 [1,0,1,0,0,0|0,0,2]=4 746 B16R0.136 C#CCCCCCCC(=O)CCCCCCC 1458a_100000211969_100012276617 [1,0,1,0,0,0|0,0,2]=4 747 B16R0.136 C=CCCCCCC(=O)CCCCCCCO 1458a_100011219782_100000700193 [1,0,1,0,0,0|1,0,1]=4 748 B16R0.136 C=CCCCCCC(=O)CCCCCCCO 1458a_100011934241_100000760002 [1,0,1,0,0,0|1,0,1]=4 749 B16R0.136 C=CCCCCCCC(=O)C#CCCCCC 1458a_100011215388_100011215473 [1,0,1,0,0,0|0,0,2]=4 750 B16R0.136 C=CCCCCCCC(=O)CCCCCC#N 1458a_100011809334_100009813376 [1,0,1,0,0,0|1,0,1]=4 751 B16R0.136 C=CCCCCCCC(=O)CCCCCCO 1458a_100011809334_100000766143 [1,0,1,0,0,0|1,0,0]=3 752 B16R0.136 C=CCCCCCCC(=O)CCCCCCO 1458a_100011996774_100011215473 [1,0,1,0,0,0|1,0,0]=3 753 B16R0.136 C=CCCCCCCC(=O)CCCCCOC 1458a_100011935119_100011215473 [1,0,1,0,0,0|1,0,0]=3 754 B16R0.136 C=CCCCCCCC(=O)CCOCCCC 1458a_100011809334_100000743108 [1,0,1,0,0,0|1,0,0]=3 755 B16R0.136 C=CCCCCCCC(=O)CCOCCOC 1458a_100000745395_100011215473 [1,0,1,0,0,0|2,0,0]=4 756 B16R0.136 C=CCCCCCCC(=O)CCOCCOC 1458a_100011809334_100000695917 [1,0,1,0,0,0|2,0,0]=4 757 B16R0.136 C=CCCCCCCC(=O)NCCCCCC 11a_100000210581_100011809334 [1,0,1,0,0,0|1,0,0]=3 758 B16R0.136 C=CCCCCCCC(=O)NCCCCCC 1626a_100000210581_100011809334 [1,0,1,0,0,0|1,0,0]=3 759 B16R0.136 C=CCCCCCCC(=O)NCCCCCC 240690a_100000210581_100011809334 [1,0,1,0,0,0|1,0,0]=3 760 B16R0.136 C=CCCCCCCC(=O)NCCCCCC 527a_100000210581_100011809334 [1,0,1,0,0,0|1,0,0]=3 761 B16R0.136 C=CCCCCCCC(=O)NCCCCCO 240690a_100000762737_100011809334 [1,0,1,0,0,0|2,0,0]=4 762 B16R0.136 C=CCCCCCCC(=O)NCCCOCC 11a_100000210961_100011809334 [1,0,1,0,0,0|2,0,0]=4 763 B16R0.136 C=CCCCCCCC(=O)NCCCOCC 1626a_100000210961_100011809334 [1,0,1,0,0,0|2,0,0]=4 764 B16R0.136 C=CCCCCCCC(=O)NCCCOCC 240690a_100000210961_100011809334 [1,0,1,0,0,0|2,0,0]=4 765 B16R0.136 C=CCCCCCCC(=O)NCCCOCC 527a_100000210961_100011809334 [1,0,1,0,0,0|2,0,0]=4 766 B16R0.136 C=CCCCCCCC(=O)NCCOCCC 1626a_100161115042_100011809334 [1,0,1,0,0,0|2,0,0]=4 767 B16R0.136 C=CCCCCCCC(=O)NCCOCCC 240690a_100161115042_100011809334 [1,0,1,0,0,0|2,0,0]=4 768 B16R0.136 C=CCCCCCCC(=O)NCCOCCC 527a_100161115042_100011809334 [1,0,1,0,0,0|2,0,0]=4 769 B16R0.136 C=CCCCCCCC(=O)NCCSCCC 11a_100020603323_100011809334 [1,0,1,0,0,0|2,0,0]=4 770 B16R0.136 C=CCCCCCCC(=O)NCCSCCC 240690a_100020603323_100011809334 [1,0,1,0,0,0|2,0,0]=4 771 B16R0.136 C=CCCCCCCC(=O)NCCSCCC 527a_100020603323_100011809334 [1,0,1,0,0,0|2,0,0]=4 772 B16R0.136 C=CCCCCCCC(=O)NNCCCCC 22a_100000694160_100011809334 [1,0,1,0,0,0|2,0,0]=4 773 B16R0.136 C=CCCCCNCC(=O)NCCCCCC 2230a_100000703577_100000230325 [1,0,1,0,0,0|2,0,0]=4 774 B16R0.136 C=CCCCCNCC(=O)NCCCCCC 34a_100000703577_100000230325 [1,0,1,0,0,0|2,0,0]=4 775 B16R0.136 C=CCCCCOCC(=O)NCCCCCC 34a_100000766645_100000230325 [1,0,1,0,0,0|2,0,0]=4 776 B16R0.136 C=CCCCCOCC(=O)NCCCCCC 7a_100000766645_100000230325 [1,0,1,0,0,0|2,0,0]=4 777 B16R0.136 C=CCCCCSCC(=O)NCCCCCC 62a_100000230325_100011215482 [1,0,1,0,0,0|2,0,0]=4 778 B16R0.136 C=CCCCNCOC(=O)CCCCCCC 2230a_100000700776_100009852258 [1,0,1,0,0,0|1,0,0]=3 779 B16R0.136 C=CCCCNCOC(=O)CCCCCCC 34a_100000700776_100009852258 [1,0,1,0,0,0|1,0,0]=3 780 B16R0.136 C=CCCCOCOC(=O)CCCCCCC 34a_100000758997_100009852258 [1,0,1,0,0,0|1,0,0]=3 781 B16R0.136 C=CCCCOCOC(=O)CCCCCCC 7a_100000758997_100009852258 [1,0,1,0,0,0|1,0,0]=3 782 B16R0.136 C=CCCCSCOC(=O)CCCCCCC 62a_100011713584_100009852258 [1,0,1,0,0,0|1,0,0]=3 783 B16R0.136 C=COCCOCOC(=O)CCCCCCC 34a_100000033082_100009852258 [1,0,1,0,0,0|2,0,0]=4 784 B16R0.136 C=COCCSCOC(=O)CCCCCCC 62a_100000039644_100009852258 [1,0,1,0,0,0|2,0,0]=4 785 B16R0.136 CCCCCCCC(=O)CCCCCCC#N 1458a_100000211969_100009813337 [1,0,1,0,0,0|1,0,1]=4 786 B16R0.136 CCCCCCCC(=O)CCCCCCCO 1458a_100000211969_100000760002 [1,0,1,0,0,0|1,0,1]=4 787 B16R0.136 CCCCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210614 [1,0,1,0,0,0|1,0,1]=4 788 B16R0.136 CCCCCCCC(=O)CCCCCCOC 1458a_100000211969_100011998445 [1,0,1,0,0,0|1,0,1]=4 789 B16R0.136 CCCCCCCC(=O)NCCCCCCO 240690a_100000686447_100000211969 [1,0,1,0,0,0|2,0,0]=4 790 B16R0.136 CCCCCCCC(=O)NCCCCCCO 527a_100000686447_100000211969 [1,0,1,0,0,0|2,0,0]=4 791 B16R0.136 CCCCCCCC(=O)OCNCCCCC 2230a_100000209983_100009852258 [1,0,1,0,0,0|1,0,1]=4 792 B16R0.136 CCCCCCCC(=O)OCNCCCCO 2230a_100000750430_100009852258 [1,0,1,0,0,0|2,0,0]=4 793 B16R0.136 CCCCCCCC(=O)OCNCCCCO 34a_100000750430_100009852258 [1,0,1,0,0,0|2,0,0]=4 794 B16R0.136 CCCCCCCC(=O)OCOCCCCBr 34a_100011216708_100009852258 [1,0,1,0,0,0|2,0,0]=4 795 B16R0.136 CCCCCCCC(=O)OCOCCCCC 34a_100000210253_100009852258 [1,0,1,0,0,0|1,0,1]=4 796 B16R0.136 CCCCCCCC(=O)OCOCCCCC 7a_100000210253_100009852258 [1,0,1,0,0,0|1,0,1]=4 797 B16R0.136 CCCCCCCC(=O)OCOCCCCCl 34a_100000210776_100009852258 [1,0,1,0,0,0|2,0,0]=4 798 B16R0.136 CCCCCCCC(=O)OCOCCCCCl 7a_100000210776_100009852258 [1,0,1,0,0,0|2,0,0]=4 799 B16R0.136 CCCCCCCC(=O)OCOCCCCF 34a_100011995726_100009852258 [1,0,1,0,0,0|2,0,0]=4 800 B16R0.136 CCCCCCCC(=O)OCOCCCCF 7a_100011995726_100009852258 [1,0,1,0,0,0|2,0,0]=4 801 B16R0.136 CCCCCCCC(=O)OCOCCCCI 34a_200012148704_100009852258 [1,0,1,0,0,0|2,0,0]=4 802 B16R0.136 CCCCCCCC(=O)OCOCCCCN 34a_100000750430_100009852258 [1,0,1,0,0,0|2,0,0]=4 803 B16R0.136 CCCCCCCC(=O)OCSCCCC=O 62a_200011292268_100009852258 [1,0,1,0,0,0|2,0,0]=4 804 B16R0.136 CCCCCCCC(=O)OCSCCCCC 62a_100000210326_100009852258 [1,0,1,0,0,0|1,0,1]=4 805 B16R0.136 CCCCCCCC(=O)OCSCCCCF 62a_100000729493_100009852258 [1,0,1,0,0,0|2,0,0]=4 806 B16R0.136 CCCCCCCC(=O)OCSCCCCO 62a_100000210776_100009852258 [1,0,1,0,0,0|2,0,0]=4 807 B16R0.136 CCCCCCCCC(=O)CCCCCCO 1458a_100000210188_100000766143 [1,0,1,0,0,0|1,0,1]=4 808 B16R0.136 CCCCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210759 [1,0,1,0,0,0|1,0,1]=4 809 B16R0.136 CCCCCCCCC(=O)NCCCCCC 11a_100000210581_100000210188 [1,0,1,0,0,0|1,0,1]=4 810 B16R0.136 CCCCCCCCC(=O)NCCCCCC 1626a_100000210581_100000210188 [1,0,1,0,0,0|1,0,1]=4 811 B16R0.136 CCCCCCCCC(=O)NCCCCCC 240690a_100000210581_100000210188 [1,0,1,0,0,0|1,0,1]=4 812 B16R0.136 CCCCCCCCC(=O)NCCCCCC 527a_100000210581_100000210188 [1,0,1,0,0,0|1,0,1]=4 813 B16R0.136 CCCCCCCNC(=O)CCCCCCC 11a_100000229938_100000211969 [1,0,1,0,0,0|1,0,1]=4 814 B16R0.136 CCCCCCCNC(=O)CCCCCCC 1626a_100000229938_100000211969 [1,0,1,0,0,0|1,0,1]=4 815 B16R0.136 CCCCCCCNC(=O)CCCCCCC 240690a_100000229938_100000211969 [1,0,1,0,0,0|1,0,1]=4 816 B16R0.136 CCCCCCCNC(=O)CCCCCCC 527a_100000229938_100000211969 [1,0,1,0,0,0|1,0,1]=4 817 B16R0.136 CCCCCCNC(=O)CCCCCCCO 240690a_100000210581_100011219782 [1,0,1,0,0,0|2,0,0]=4 818 B16R0.136 O=C(CCCCCCF)CCCCCCCO 1458a_100011219782_100015922095 [1,0,1,0,0,0|2,0,0]=4 819 B16R0.136 O=C(CCCCCCO)CCCCCCCO 1458a_100011219782_100000766143 [1,0,1,0,0,0|2,0,0]=4 820 B16R0.136 O=C(CCCCCCO)CCCCCCCO 1458a_100011996774_100000760002 [1,0,1,0,0,0|2,0,0]=4 821 B16R0.221 CCCC/C=C/CCCCOCCC(=O)NC 34a_200020645093_100012179268 [1,0,1,0,0,0|2,0,0]=4 822 B16R0.221 CCCC/C=C/CCCCOCCC(=O)NC 7a_200020645093_100000737683 [1,0,1,0,0,0|2,0,0]=4 823 B16R0.221 CCCC/C=C/CCCCOCCC(=O)OC 34a_200020645093_100000742370 [1,0,1,0,0,0|1,0,0]=3 824 B16R0.221 CCCC/C=C/CCCCOCCC(=O)OC 7a_200020645093_100000204255 [1,0,1,0,0,0|1,0,0]=3 825 B16R0.221 CCCC/C=C/COCCCCCC(=O)OC 34a_200016272032_100009816466 [1,0,1,0,0,0|1,0,0]=3 826 B16R0.221 CCCC/C=C/COCCCCCC(=O)OC 7a_200016272032_100009816466 [1,0,1,0,0,0|1,0,0]=3 827 B16R0.221 CCCC/C=C\CCOCCCCC(=O)OC 34a_200016286491_100000204269 [1,0,1,0,0,0|1,0,0]=3 828 B16R0.221 CCCC/C=C\CCOCCCCC(=O)OC 7a_200016286491_100000204269 [1,0,1,0,0,0|1,0,0]=3 829 B16R0.221 CCCC/C=C\CCOCCOCC(=O)OC 34a_200016286491_100000090808 [1,0,1,0,0,0|2,0,0]=4 830 B16R0.221 CCCC/C=C\CCOCCOCC(=O)OC 7a_200016286491_100000090808 [1,0,1,0,0,0|2,0,0]=4 831 B16R0.221 CCCCC/C=C/COCCCCC(=O)OC 34a_100016258190_100000204269 [1,0,1,0,0,0|1,0,0]=3 832 B16R0.221 CCCCC/C=C/COCCCCC(=O)OC 7a_100016258190_100000204269 [1,0,1,0,0,0|1,0,0]=3 833 B16R0.221 CCCCC/C=C/COCCOCC(=O)OC 34a_100016258190_100000090808 [1,0,1,0,0,0|2,0,0]=4 834 B16R0.221 CCCCC/C=C/COCCOCC(=O)OC 7a_100016258190_100000090808 [1,0,1,0,0,0|2,0,0]=4 835 B16R0.221 CCCCC/C=C\CCCOCCC(=O)NC 34a_100020655193_100012179268 [1,0,1,0,0,0|2,0,0]=4 836 B16R0.221 CCCCC/C=C\CCCOCCC(=O)NC 7a_100020655193_100000737683 [1,0,1,0,0,0|2,0,0]=4 837 B16R0.221 CCCCC/C=C\CCCOCCC(=O)OC 34a_100020655193_100000742370 [1,0,1,0,0,0|1,0,0]=3 838 B16R0.221 CCCCC/C=C\CCCOCCC(=O)OC 7a_100020655193_100000204255 [1,0,1,0,0,0|1,0,0]=3 839 B16R0.221 CCCCC/C=C\CCOCCCC(=O)NC 34a_100016277358_100000741757 [1,0,1,0,0,0|2,0,0]=4 840 B16R0.221 CCCCC/C=C\CCOCCCC(=O)NC 7a_100016277358_100000741757 [1,0,1,0,0,0|2,0,0]=4 841 B16R0.221 CCCCC/C=C\CCOCCCC(=O)OC 34a_100016277358_100000742333 [1,0,1,0,0,0|1,0,0]=3 842 B16R0.221 CCCCC/C=C\CCOCCCC(=O)OC 7a_100016277358_100011218270 [1,0,1,0,0,0|1,0,0]=3 843 B16R0.221 CCCCC/C=C\CCOCCOC(=O)NC 34a_100016277358_200011997002 [1,0,1,0,0,0|2,0,0]=4 844 B16R0.221 CCCCC/C=C\CCOCCOC(=O)NC 7a_100016277358_200011997002 [1,0,1,0,0,0|2,0,0]=4 845 B16R0.221 CCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000756256 [1,0,1,0,0,0|1,0,1]=4 846 B16R0.221 CCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000756256 [1,0,1,0,0,0|1,0,1]=4 847 B16R0.221 CCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000756256 [1,0,1,0,0,0|1,0,1]=4 848 B16R0.221 CCCCCCCCCCCCNC(=O)CC 11a_100000210451_100000210414 [1,0,1,0,0,0|1,0,1]=4 849 B16R0.221 CCCCCCCCCCCCNC(=O)CC 1626a_100000210451_100000210414 [1,0,1,0,0,0|1,0,1]=4 850 B16R0.221 CCCCCCCCCCCCNC(=O)CC 240690a_100000210451_100000210414 [1,0,1,0,0,0|1,0,1]=4 851 B16R0.221 CCCCCCCCCCCCNC(=O)CC 527a_100000210451_100000210414 [1,0,1,0,0,0|1,0,1]=4 852 B16R0.221 CCCCCCCCCCCNCC(=O)OC 2230a_200011215754_100000747449 [1,0,1,0,0,0|1,0,1]=4 853 B16R0.221 CCCCCCCCCCCNCC(=O)OC 34a_200011215754_100000747449 [1,0,1,0,0,0|1,0,1]=4 854 B16R0.221 CCCCCCCCCCCOCC(=O)OC 34a_100000210809_100000747449 [1,0,1,0,0,0|1,0,1]=4 855 B16R0.221 CCCCCCCCCCCOCC(=O)OC 7a_100000210809_100000747449 [1,0,1,0,0,0|1,0,1]=4 856 B16R0.221 CCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011215454 [1,0,1,0,0,0|1,0,1]=4 857 B16R0.221 CCCCCCCCCCNCCC(=O)OC 2230a_100000684558_100000204255 [1,0,1,0,0,0|1,0,1]=4 858 B16R0.221 CCCCCCCCCCNCCC(=O)OC 34a_100000684558_100000742370 [1,0,1,0,0,0|1,0,1]=4 859 B16R0.221 CCCCCCCCCCOCCC(=O)OC 34a_100000210711_100000742370 [1,0,1,0,0,0|1,0,1]=4 860 B16R0.221 CCCCCCCCCCOCCC(=O)OC 7a_100000210711_100000204255 [1,0,1,0,0,0|1,0,1]=4 861 B16R0.221 CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210320 [1,0,1,0,0,0|1,0,1]=4 862 B16R0.221 CCCCCCCCCNCCCC(=O)OC 2230a_100000212291_100011218270 [1,0,1,0,0,0|1,0,1]=4 863 B16R0.221 CCCCCCCCCNCCCC(=O)OC 34a_100000212291_100000742333 [1,0,1,0,0,0|1,0,1]=4 864 B16R0.221 CCCCCCCCCOCCCC(=O)OC 34a_100000210712_100000742333 [1,0,1,0,0,0|1,0,1]=4 865 B16R0.221 CCCCCCCCCOCCCC(=O)OC 7a_100000210712_100011218270 [1,0,1,0,0,0|1,0,1]=4 866 B16R0.221 CCCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210328 [1,0,1,0,0,0|1,0,1]=4 867 B16R0.221 CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210670 [1,0,1,0,0,0|1,0,1]=4 868 B16R0.221 CCCCCCCCNCCCCC(=O)OC 2230a_100000229939_100000204269 [1,0,1,0,0,0|1,0,1]=4 869 B16R0.221 CCCCCCCCNCCCCC(=O)OC 34a_100000229939_100000204269 [1,0,1,0,0,0|1,0,1]=4 870 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210759 [1,0,1,0,0,0|1,0,1]=4 871 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000210232_100000204269 [1,0,1,0,0,0|1,0,1]=4 872 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210759 [1,0,1,0,0,0|1,0,1]=4 873 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000210232_100000204269 [1,0,1,0,0,0|1,0,1]=4 874 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210317 [1,0,1,0,0,0|1,0,1]=4 875 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000210759_100000204269 [1,0,1,0,0,0|1,0,1]=4 876 B16R0.221 CCCCCCCNCCCCCC(=O)OC 2230a_100000229938_100009816466 [1,0,1,0,0,0|1,0,1]=4 877 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210614 [1,0,1,0,0,0|1,0,1]=4 878 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000210272_100009816466 [1,0,1,0,0,0|1,0,1]=4 879 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210614 [1,0,1,0,0,0|1,0,1]=4 880 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000210272_100009816466 [1,0,1,0,0,0|1,0,1]=4 881 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100000210614_100009816466 [1,0,1,0,0,0|1,0,1]=4 882 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210316 [1,0,1,0,0,0|1,0,1]=4 883 B16R0.221 CCCCCCNCCCCCCC(=O)OC 2230a_100000210581_100009815986 [1,0,1,0,0,0|1,0,1]=4 884 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100000210259_100009815986 [1,0,1,0,0,0|1,0,1]=4 885 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210314 [1,0,1,0,0,0|1,0,1]=4 886 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100000210259_100009815986 [1,0,1,0,0,0|1,0,1]=4 887 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210314 [1,0,1,0,0,0|1,0,1]=4 888 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100000210314_100009815986 [1,0,1,0,0,0|1,0,1]=4 889 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210757 [1,0,1,0,0,0|1,0,1]=4 890 B16R0.221 CCCCCNCCCCCCCC(=O)OC 2230a_100000209983_100010004213 [1,0,1,0,0,0|1,0,0]=3 891 B16R0.221 CCCCCNCCOCCCCC(=O)OC 34a_100000224656_100000204269 [1,0,1,0,0,0|2,0,0]=4 892 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100000210253_100010004213 [1,0,1,0,0,0|1,0,0]=3 893 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000718602 [1,0,1,0,0,0|1,0,0]=3 894 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100000210253_100010004213 [1,0,1,0,0,0|1,0,0]=3 895 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210326 [1,0,1,0,0,0|1,0,0]=3 896 B16R0.221 CCCCCOCCOCCCCC(=O)OC 34a_100011215259_100000204269 [1,0,1,0,0,0|2,0,0]=4 897 B16R0.221 CCCCCOCCOCCCCC(=O)OC 7a_100011215259_100000204269 [1,0,1,0,0,0|2,0,0]=4 898 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100000210326_100010004213 [1,0,1,0,0,0|1,0,0]=3 899 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210326 [1,0,1,0,0,0|1,0,0]=3 900 B16R0.221 CCCCNCCCCCCCCC(=O)OC 2230a_100000102301_100010282707 [1,0,1,0,0,0|1,0,1]=4 901 B16R0.221 CCCCNCCCCCCCCC(=O)OC 7a_106832991798_100010282707 [1,0,1,0,0,0|1,0,1]=4 902 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210210 [1,0,1,0,0,0|1,0,1]=4 903 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000210227_100010282707 [1,0,1,0,0,0|1,0,1]=4 904 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210211 [1,0,1,0,0,0|1,0,1]=4 905 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000210227_100010282707 [1,0,1,0,0,0|1,0,1]=4 906 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100000210211_100010282707 [1,0,1,0,0,0|1,0,1]=4 907 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210210 [1,0,1,0,0,0|1,0,1]=4 908 B16R0.221 CCCOCCCCCCCCCC(=O)OC 34a_100000210258_100009813843 [1,0,1,0,0,0|1,0,1]=4 909 B16R0.221 CCCSCCCCCCCCCC(=O)OC 62a_100000210303_100009813843 [1,0,1,0,0,0|1,0,1]=4 910 B16R0.221 CCNCCCCCCCCCCC(=O)OC 2230a_100015525214_100009812566 [1,0,1,0,0,0|1,0,1]=4 911 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210202 [1,0,1,0,0,0|1,0,1]=4 912 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100121572206_100009812566 [1,0,1,0,0,0|1,0,1]=4 913 B16R0.221 CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210202 [1,0,1,0,0,0|1,0,1]=4 914 B16R0.221 CCOCCNCCCCCCCC(=O)OC 2230a_102516460346_100010004213 [1,0,1,0,0,0|2,0,0]=4 915 B16R0.221 CCOCCNCCCCCCCC(=O)OC 34a_102516460346_100010004213 [1,0,1,0,0,0|2,0,0]=4 916 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100000210136_100010004213 [1,0,1,0,0,0|2,0,0]=4 917 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100011022521_100000210147 [1,0,1,0,0,0|2,0,0]=4 918 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100000210136_100010004213 [1,0,1,0,0,0|2,0,0]=4 919 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100011022521_100011215890 [1,0,1,0,0,0|2,0,0]=4 920 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100000210147_100010004213 [1,0,1,0,0,0|2,0,0]=4 921 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100010004213_100011215890 [1,0,1,0,0,0|2,0,0]=4 922 B16R0.221 CCSCCCCCCCCCCC(=O)OC 62a_100000210202_100009812566 [1,0,1,0,0,0|1,0,1]=4 923 B16R0.221 CCSCCNCCCCCCCC(=O)OC 2230a_100000106463_100010004213 [1,0,1,0,0,0|2,0,0]=4 924 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100000212035_100010004213 [1,0,1,0,0,0|2,0,0]=4 925 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100011022521_100000757381 [1,0,1,0,0,0|2,0,0]=4 926 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100000212035_100010004213 [1,0,1,0,0,0|2,0,0]=4 927 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100011022521_100000757381 [1,0,1,0,0,0|2,0,0]=4 928 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100000757381_100010004213 [1,0,1,0,0,0|2,0,0]=4 929 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100010004213_100000757381 [1,0,1,0,0,0|2,0,0]=4 930 B16R0.221 CNCCCCCCCCCCCC(=O)OC 2230a_106832991635_100010983606 [1,0,1,0,0,0|1,0,1]=4 931 B16R0.221 CNCCCCCCCCCCCC(=O)OC 34a_100102657272_100010983606 [1,0,1,0,0,0|1,0,1]=4 932 B16R0.221 CNCCCCCCCCCCCC(=O)OC 7a_106832991635_100010983606 [1,0,1,0,0,0|1,0,1]=4 933 B16R0.221 CNCCCOCCCCCCCC(=O)OC 34a_100000213112_100010004213 [1,0,1,0,0,0|2,0,0]=4 934 B16R0.221 COC(=O)CCCCCCCCCCCSC 62a_200000210301_100010983606 [1,0,1,0,0,0|1,0,1]=4 935 B16R0.221 COC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100010983606 [1,0,1,0,0,0|1,0,1]=4 936 B16R0.221 COC(=O)CCCCCCCNCCCCO 2230a_100000750430_100010004213 [1,0,1,0,0,0|2,0,0]=4 937 B16R0.221 COC(=O)CCCCCCCNCCCCO 34a_100000750430_100010004213 [1,0,1,0,0,0|2,0,0]=4 938 B16R0.221 COC(=O)CCCCCCCNCCCSC 2230a_100000749238_100010004213 [1,0,1,0,0,0|2,0,0]=4 939 B16R0.221 COC(=O)CCCCCCCOCCCCBr 34a_100011216708_100010004213 [1,0,1,0,0,0|2,0,0]=4 940 B16R0.221 COC(=O)CCCCCCCOCCCCCl 34a_100000210776_100010004213 [1,0,1,0,0,0|2,0,0]=4 941 B16R0.221 COC(=O)CCCCCCCOCCCCCl 7a_100000210776_100010004213 [1,0,1,0,0,0|2,0,0]=4 942 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011022521_100000729493 [1,0,1,0,0,0|2,0,0]=4 943 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011995726_100010004213 [1,0,1,0,0,0|2,0,0]=4 944 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011022521_100000729493 [1,0,1,0,0,0|2,0,0]=4 945 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011995726_100010004213 [1,0,1,0,0,0|2,0,0]=4 946 B16R0.221 COC(=O)CCCCCCCOCCCCI 34a_200012148704_100010004213 [1,0,1,0,0,0|2,0,0]=4 947 B16R0.221 COC(=O)CCCCCCCOCCCCN 34a_100000750430_100010004213 [1,0,1,0,0,0|2,0,0]=4 948 B16R0.221 COC(=O)CCCCCCCOCCCCO 34a_100011022521_100011216708 [1,0,1,0,0,0|2,0,0]=4 949 B16R0.221 COC(=O)CCCCCCCOCCCCO 7a_100011022521_100000210776 [1,0,1,0,0,0|2,0,0]=4 950 B16R0.221 COC(=O)CCCCCCCOCCCSC 34a_100000690336_100010004213 [1,0,1,0,0,0|2,0,0]=4 951 B16R0.221 COC(=O)CCCCCCCOCCCSC 7a_100000690336_100010004213 [1,0,1,0,0,0|2,0,0]=4 952 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100000729493_100010004213 [1,0,1,0,0,0|2,0,0]=4 953 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100010004213_100000729493 [1,0,1,0,0,0|2,0,0]=4 954 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100000210776_100010004213 [1,0,1,0,0,0|2,0,0]=4 955 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100010004213_100000210776 [1,0,1,0,0,0|2,0,0]=4 956 B16R0.221 COCCCCCCCCCCCC(=O)OC 34a_100138415774_100010983606 [1,0,1,0,0,0|1,0,1]=4 957 B16R0.221 COCCCNCCCCCCCC(=O)OC 34a_100150723488_100010004213 [1,0,1,0,0,0|2,0,0]=4 958 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100000740835_100010004213 [1,0,1,0,0,0|2,0,0]=4 959 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100011022521_100000740836 [1,0,1,0,0,0|2,0,0]=4 960 B16R0.221 COCCCOCCCCCCCC(=O)OC 7a_100011022521_100000740836 [1,0,1,0,0,0|2,0,0]=4 961 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100000709357_100010004213 [1,0,1,0,0,0|2,0,0]=4 962 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100010004213_100000709357 [1,0,1,0,0,0|2,0,0]=4 963 B16R0.61 CCC/C=C/COCCCCCC(=O)OCC 34a_100016278788_100000755133 [1,0,1,0,0,0|1,0,0]=3 964 B16R0.61 CCC/C=C/COCCCCCC(=O)OCC 7a_100016278788_100000755133 [1,0,1,0,0,0|1,0,0]=3 965 B16R0.61 CCC/C=C/COCCCOCC(=O)OCC 34a_100016278788_100009893628 [1,0,1,0,0,0|2,0,0]=4 966 B16R0.61 CCC/C=C/COCCCOCC(=O)OCC 7a_100016278788_100009893628 [1,0,1,0,0,0|2,0,0]=4 967 B16R0.61 CCCC/C=C/CCCCOCC(=O)CCC 7a_200020645093_100000747444 [1,0,1,0,0,0|1,0,0]=3 968 B16R0.61 CCCC/C=C/CCCCOCC(=O)NCC 34a_200020645093_100000183381 [1,0,1,0,0,0|2,0,0]=4 969 B16R0.61 CCCC/C=C/CCCCOCC(=O)NCC 7a_200020645093_100000183381 [1,0,1,0,0,0|2,0,0]=4 970 B16R0.61 CCCC/C=C/CCCCOCC(=O)OCC 34a_200020645093_100000188475 [1,0,1,0,0,0|1,0,0]=3 971 B16R0.61 CCCC/C=C/CCCCOCC(=O)OCC 7a_200020645093_100000188475 [1,0,1,0,0,0|1,0,0]=3 972 B16R0.61 CCCC/C=C/COCCCCC(=O)OCC 34a_200016272032_100000750268 [1,0,1,0,0,0|1,0,0]=3 973 B16R0.61 CCCC/C=C/COCCCCC(=O)OCC 7a_200016272032_100000750268 [1,0,1,0,0,0|1,0,0]=3 974 B16R0.61 CCCC/C=C/COCCOCC(=O)OCC 34a_200016272032_100000088970 [1,0,1,0,0,0|2,0,0]=4 975 B16R0.61 CCCC/C=C/COCCOCC(=O)OCC 7a_200016272032_100000088970 [1,0,1,0,0,0|2,0,0]=4 976 B16R0.61 CCCC/C=C\CCOCCCC(=O)OCC 34a_200016286491_100009991533 [1,0,1,0,0,0|1,0,0]=3 977 B16R0.61 CCCC/C=C\CCOCCCC(=O)OCC 7a_200016286491_100011215271 [1,0,1,0,0,0|1,0,0]=3 978 B16R0.61 CCCC/C=C\CCOCCNC(=O)OCC 7a_200016286491_200011445536 [1,0,1,0,0,0|2,0,0]=4 979 B16R0.61 CCCCC#CCCCCCCC(=O)CCC 1458a_100000211992_200000043322 [1,0,1,0,0,0|0,0,2]=4 980 B16R0.61 CCCCCCCCCCCCC(=O)NCC 11a_100015525214_100011215791 [1,0,1,0,0,0|1,0,1]=4 981 B16R0.61 CCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100011215791 [1,0,1,0,0,0|1,0,1]=4 982 B16R0.61 CCCCCCCCCCCNC(=O)CCC 11a_200011215754_100000211992 [1,0,1,0,0,0|1,0,1]=4 983 B16R0.61 CCCCCCCCCCCNC(=O)CCC 1626a_200011215754_100000211992 [1,0,1,0,0,0|1,0,1]=4 984 B16R0.61 CCCCCCCCCCCNC(=O)CCC 240690a_200011215754_100000211992 [1,0,1,0,0,0|1,0,1]=4 985 B16R0.61 CCCCCCCCCCCNC(=O)CCC 527a_200011215754_100000211992 [1,0,1,0,0,0|1,0,1]=4 986 B16R0.61 CCCCCCCCCCNCC(=O)OCC 2230a_100000684558_100000188475 [1,0,1,0,0,0|1,0,1]=4 987 B16R0.61 CCCCCCCCCCNCC(=O)OCC 34a_100000684558_100000188475 [1,0,1,0,0,0|1,0,1]=4 988 B16R0.61 CCCCCCCCCCOCC(=O)OCC 34a_100000210711_100000188475 [1,0,1,0,0,0|1,0,1]=4 989 B16R0.61 CCCCCCCCCCOCC(=O)OCC 7a_100000210711_100000188475 [1,0,1,0,0,0|1,0,1]=4 990 B16R0.61 CCCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210320 [1,0,1,0,0,0|1,0,1]=4 991 B16R0.61 CCCCCCCCCNCCC(=O)OCC 2230a_100000212291_100011206558 [1,0,1,0,0,0|1,0,1]=4 992 B16R0.61 CCCCCCCCCNCCC(=O)OCC 34a_100000212291_100000765890 [1,0,1,0,0,0|1,0,1]=4 993 B16R0.61 CCCCCCCCCNCOC(=O)CCC 2230a_100000212291_100000034017 [1,0,1,0,0,0|1,0,1]=4 994 B16R0.61 CCCCCCCCCNCOC(=O)CCC 34a_100000212291_100000034017 [1,0,1,0,0,0|1,0,1]=4 995 B16R0.61 CCCCCCCCCOCCC(=O)OCC 34a_100000210712_100000765890 [1,0,1,0,0,0|1,0,1]=4 996 B16R0.61 CCCCCCCCCOCCC(=O)OCC 7a_100000210712_100011206558 [1,0,1,0,0,0|1,0,1]=4 997 B16R0.61 CCCCCCCCCOCOC(=O)CCC 34a_100000210712_100000034017 [1,0,1,0,0,0|1,0,1]=4 998 B16R0.61 CCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210670 [1,0,1,0,0,0|1,0,1]=4 999 B16R0.61 CCCCCCCCNCCCC(=O)OCC 2230a_100000229939_100009991533 [1,0,1,0,0,0|1,0,1]=4 1000 B16R0.61 CCCCCCCCNCCCC(=O)OCC 34a_100000229939_100009991533 [1,0,1,0,0,0|1,0,1]=4 1001 B16R0.61 CCCCCCCCOCCCC(=O)OCC 34a_100000210232_100009991533 [1,0,1,0,0,0|1,0,1]=4 1002 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100000210232_100011215271 [1,0,1,0,0,0|1,0,1]=4 1003 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210759 [1,0,1,0,0,0|1,0,1]=4 1004 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100000210759_100009991533 [1,0,1,0,0,0|1,0,1]=4 1005 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210317 [1,0,1,0,0,0|1,0,1]=4 1006 B16R0.61 CCCCCCCNCCCCC(=O)OCC 2230a_100000229938_100000750268 [1,0,1,0,0,0|1,0,1]=4 1007 B16R0.61 CCCCCCCOCCCCC(=O)OCC 34a_100000210272_100000750268 [1,0,1,0,0,0|1,0,1]=4 1008 B16R0.61 CCCCCCCOCCCCC(=O)OCC 7a_100000210272_100000750268 [1,0,1,0,0,0|1,0,1]=4 1009 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000210614_100000750268 [1,0,1,0,0,0|1,0,1]=4 1010 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210316 [1,0,1,0,0,0|1,0,1]=4 1011 B16R0.61 CCCCCCNCCCCCC(=O)OCC 2230a_100000210581_100000755133 [1,0,1,0,0,0|1,0,1]=4 1012 B16R0.61 CCCCCCOCCCCCC(=O)OCC 34a_100000210259_100000755133 [1,0,1,0,0,0|1,0,1]=4 1013 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100000210259_100000755133 [1,0,1,0,0,0|1,0,1]=4 1014 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210314 [1,0,1,0,0,0|1,0,1]=4 1015 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000210314_100000755133 [1,0,1,0,0,0|1,0,1]=4 1016 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210757 [1,0,1,0,0,0|1,0,1]=4 1017 B16R0.61 CCCCCNCCCCCCC(=O)OCC 2230a_100000209983_100009814379 [1,0,1,0,0,0|1,0,1]=4 1018 B16R0.61 CCCCCOCCCCCCC(=O)OCC 34a_100000210253_100009814379 [1,0,1,0,0,0|1,0,1]=4 1019 B16R0.61 CCCCCOCCCCCCC(=O)OCC 7a_100000210253_100009814379 [1,0,1,0,0,0|1,0,1]=4 1020 B16R0.61 CCCCCSCCCCCCC(=O)OCC 62a_100000210326_100009814379 [1,0,1,0,0,0|1,0,1]=4 1021 B16R0.61 CCCCNCCCCCCCC(=O)OCC 2230a_100000102301_100009991516 [1,0,1,0,0,0|1,0,0]=3 1022 B16R0.61 CCCCNCCCCCCCC(=O)OCC 7a_106832991798_100009991516 [1,0,1,0,0,0|1,0,0]=3 1023 B16R0.61 CCCCNCCCCOCCC(=O)OCC 34a_200011216965_100000765890 [1,0,1,0,0,0|2,0,0]=4 1024 B16R0.61 CCCCNCCCCOCOC(=O)CCC 34a_200011216965_100000034017 [1,0,1,0,0,0|2,0,0]=4 1025 B16R0.61 CCCCOCCCCCCCC(=O)OCC 34a_100000210227_100009991516 [1,0,1,0,0,0|1,0,0]=3 1026 B16R0.61 CCCCOCCCCCCCC(=O)OCC 7a_100000210227_100009991516 [1,0,1,0,0,0|1,0,0]=3 1027 B16R0.61 CCCCOCCCCOCCC(=O)OCC 34a_200000760531_100000765890 [1,0,1,0,0,0|2,0,0]=4 1028 B16R0.61 CCCCOCCCCOCCC(=O)OCC 7a_200000760531_100011206558 [1,0,1,0,0,0|2,0,0]=4 1029 B16R0.61 CCCCOCCCCOCOC(=O)CCC 34a_200000760531_100000034017 [1,0,1,0,0,0|2,0,0]=4 1030 B16R0.61 CCCCOCCCNCCCC(=O)OCC 2230a_200000211371_100009991533 [1,0,1,0,0,0|2,0,0]=4 1031 B16R0.61 CCCCOCCCNCCCC(=O)OCC 34a_200000211371_100009991533 [1,0,1,0,0,0|2,0,0]=4 1032 B16R0.61 CCCCOCCCOCCCC(=O)OCC 34a_200011215613_100009991533 [1,0,1,0,0,0|2,0,0]=4 1033 B16R0.61 CCCCOCCCOCCCC(=O)OCC 7a_200011215613_100011215271 [1,0,1,0,0,0|2,0,0]=4 1034 B16R0.61 CCCCOCCOCCCCC(=O)OCC 34a_100000210238_100000750268 [1,0,1,0,0,0|2,0,0]=4 1035 B16R0.61 CCCCOCCOCCCCC(=O)OCC 7a_100000210238_100000750268 [1,0,1,0,0,0|2,0,0]=4 1036 B16R0.61 CCCCOCCSCCCCC(=O)OCC 62a_100000743108_100000750268 [1,0,1,0,0,0|2,0,0]=4 1037 B16R0.61 CCCCOCCSCCCCC(=O)OCC 62a_100000750268_100000743108 [1,0,1,0,0,0|2,0,0]=4 1038 B16R0.61 CCCCOCSCCCCCC(=O)OCC 62a_100000755133_100011995733 [1,0,1,0,0,0|2,0,0]=4 1039 B16R0.61 CCCCOCSCCCCCC(=O)OCC 62a_100011995733_100000755133 [1,0,1,0,0,0|2,0,0]=4 1040 B16R0.61 CCCCSCCCCCCCC(=O)OCC 62a_100000210211_100009991516 [1,0,1,0,0,0|1,0,0]=3 1041 B16R0.61 CCCCSCCNCCCCC(=O)OCC 2230a_100025743550_100000750268 [1,0,1,0,0,0|2,0,0]=4 1042 B16R0.61 CCCCSCCOCCCCC(=O)OCC 34a_200000230436_100000750268 [1,0,1,0,0,0|2,0,0]=4 1043 B16R0.61 CCCCSCCOCCCCC(=O)OCC 7a_200000230436_100000750268 [1,0,1,0,0,0|2,0,0]=4 1044 B16R0.61 CCCOCCCCCCCCC(=O)OCC 34a_100000210258_100010175975 [1,0,1,0,0,0|1,0,1]=4 1045 B16R0.61 CCCSCCCCCCCCC(=O)OCC 62a_100000210303_100010175975 [1,0,1,0,0,0|1,0,1]=4 1046 B16R0.61 CCNCCCCCCCCCC(=O)OCC 2230a_100015525214_100009828014 [1,0,1,0,0,0|1,0,1]=4 1047 B16R0.61 CCNN=CCCCCCCCC(=O)OCC 4a_100000756455_100102623289 [1,0,1,0,0,0|2,0,0]=4 1048 B16R0.61 CCOC(=O)CCCCCCCCCCNC 2230a_106832991635_100009827693 [1,0,1,0,0,0|1,0,1]=4 1049 B16R0.61 CCOC(=O)CCCCCCCCCCNC 34a_100102657272_100009827693 [1,0,1,0,0,0|1,0,1]=4 1050 B16R0.61 CCOC(=O)CCCCCCCCCCNC 7a_106832991635_100009827693 [1,0,1,0,0,0|1,0,1]=4 1051 B16R0.61 CCOC(=O)CCCCCCCCCCOC 34a_100138415774_100009827693 [1,0,1,0,0,0|1,0,1]=4 1052 B16R0.61 CCOC(=O)CCCCCCCCCCSC 62a_200000210301_100009827693 [1,0,1,0,0,0|1,0,1]=4 1053 B16R0.61 CCOC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009827693 [1,0,1,0,0,0|1,0,1]=4 1054 B16R0.61 CCOC(=O)CCCCCCCCCSCC 62a_100000210202_100009828014 [1,0,1,0,0,0|1,0,1]=4 1055 B16R0.61 CCOC(=O)CCCCCCCNCCCF 2230a_100015189416_100009991516 [1,0,1,0,0,0|2,0,0]=4 1056 B16R0.61 CCOC(=O)CCCCCCCNCCCF 34a_100015189416_100009991516 [1,0,1,0,0,0|2,0,0]=4 1057 B16R0.61 CCOC(=O)CCCCCCCNCCOC 2230a_100000209980_100009991516 [1,0,1,0,0,0|2,0,0]=4 1058 B16R0.61 CCOC(=O)CCCCCCCNCCSC 2230a_100020590264_100009991516 [1,0,1,0,0,0|2,0,0]=4 1059 B16R0.61 CCOC(=O)CCCCCCCOCCCBr 34a_100011217188_100009991516 [1,0,1,0,0,0|2,0,0]=4 1060 B16R0.61 CCOC(=O)CCCCCCCOCCCCl 34a_100000230001_100009991516 [1,0,1,0,0,0|2,0,0]=4 1061 B16R0.61 CCOC(=O)CCCCCCCOCCCF 34a_100000759539_100009991516 [1,0,1,0,0,0|2,0,0]=4 1062 B16R0.61 CCOC(=O)CCCCCCCOCCCN 34a_100000182051_100009991516 [1,0,1,0,0,0|2,0,0]=4 1063 B16R0.61 CCOC(=O)CCCCCCCOCCOC 34a_100000210237_100009991516 [1,0,1,0,0,0|2,0,0]=4 1064 B16R0.61 CCOC(=O)CCCCCCCOCCSC 34a_100000230434_100009991516 [1,0,1,0,0,0|2,0,0]=4 1065 B16R0.61 CCOC(=O)CCCCCCCOCCSC 7a_100000230434_100009991516 [1,0,1,0,0,0|2,0,0]=4 1066 B16R0.61 CCOC(=O)CCCCCCCSCCCF 62a_100011934791_100009991516 [1,0,1,0,0,0|2,0,0]=4 1067 B16R0.61 CCOC(=O)CCCCCCCSCCCO 62a_100011215043_100009991516 [1,0,1,0,0,0|2,0,0]=4 1068 B16R0.61 CCOC(=O)CCCCCCCSCCOC 62a_100000233755_100009991516 [1,0,1,0,0,0|2,0,0]=4 1069 B16R0.61 CCOC(=O)CCCCCCCSCCSC 62a_100000212216_100009991516 [1,0,1,0,0,0|2,0,0]=4 1070 B16R0.61 CCOCCCCCCCCCC(=O)OCC 34a_100121572206_100009828014 [1,0,1,0,0,0|1,0,1]=4 1071 B16R0.61 CCOCSCCCCCCCC(=O)OCC 62a_100000739092_100009991516 [1,0,1,0,0,0|2,0,0]=4 1072 B16R0.661 CC/C=C/CCCOCCCC(=O)NCCC 7a_100016287902_100011194427 [1,0,1,0,0,0|2,0,0]=4 1073 B16R0.661 CC/C=C\CCCCCNCC(=O)NCCC 269862a_100000174927_100016288537 [1,0,1,0,0,0|2,0,0]=4 1074 B16R0.661 CC/C=C\CCCCCOCC(=O)NCCC 34a_100016268722_100000183358 [1,0,1,0,0,0|2,0,0]=4 1075 B16R0.661 CC/C=C\CCCCCOCC(=O)NCCC 7a_100016268722_100000183358 [1,0,1,0,0,0|2,0,0]=4 1076 B16R0.661 CC/C=C\CCCCCOCC(=O)OCCC 34a_100016268722_200011215008 [1,0,1,0,0,0|1,0,0]=3 1077 B16R0.661 CC/C=C\CCCCCOCC(=O)OCCC 7a_100016268722_200011215008 [1,0,1,0,0,0|1,0,0]=3 1078 B16R0.661 CC/C=C\CCCCOCOC(=O)OCCC 34a_100016287862_200000139673 [1,0,1,0,0,0|2,0,0]=4 1079 B16R0.661 CC/C=C\CCCCOCOC(=O)OCCC 7a_100016287862_200000139673 [1,0,1,0,0,0|2,0,0]=4 1080 B16R0.661 CCCCCCCCCCCC(=O)NCCC 11a_100020643023_100000210736 [1,0,1,0,0,0|1,0,1]=4 1081 B16R0.661 CCCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210736 [1,0,1,0,0,0|1,0,1]=4 1082 B16R0.661 CCCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210736 [1,0,1,0,0,0|1,0,1]=4 1083 B16R0.661 CCCCCCCCCCCC(=O)OCNC 2230a_106832991635_100020644155 [1,0,1,0,0,0|1,0,1]=4 1084 B16R0.661 CCCCCCCCCCCC(=O)OCNC 34a_100102657272_100020644155 [1,0,1,0,0,0|1,0,1]=4 1085 B16R0.661 CCCCCCCCCCCC(=O)OCNC 7a_106832991635_100020644155 [1,0,1,0,0,0|1,0,1]=4 1086 B16R0.661 CCCCCCCCCCCC(=O)OCOC 34a_100138415774_100020644155 [1,0,1,0,0,0|1,0,1]=4 1087 B16R0.661 CCCCCCCCCCCC(=O)OCSC 62a_200000210301_100020644155 [1,0,1,0,0,0|1,0,1]=4 1088 B16R0.661 CCCCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100020644155 [1,0,1,0,0,0|1,0,1]=4 1089 B16R0.661 CCCCCCCCCCNC(=O)CCCC 11a_100000684558_100000210183 [1,0,1,0,0,0|1,0,1]=4 1090 B16R0.661 CCCCCCCCCCNC(=O)CCCC 1626a_100000684558_100000210183 [1,0,1,0,0,0|1,0,1]=4 1091 B16R0.661 CCCCCCCCCCNC(=O)CCCC 240690a_100000684558_100000210183 [1,0,1,0,0,0|1,0,1]=4 1092 B16R0.661 CCCCCCCCCCNC(=O)CCCC 527a_100000684558_100000210183 [1,0,1,0,0,0|1,0,1]=4 1093 B16R0.661 CCCCCCCCCCOC(=O)CNCC 2230a_100015525214_100000210668 [1,0,1,0,0,0|1,0,1]=4 1094 B16R0.661 CCCCCCCCCCOC(=O)COCC 34a_100121572206_100000210668 [1,0,1,0,0,0|1,0,1]=4 1095 B16R0.661 CCCCCCCCCCOC(=O)CSCC 62a_100000210202_100000680656 [1,0,1,0,0,0|1,0,1]=4 1096 B16R0.661 CCCCCCCCCCOC(=O)CSCC 62a_100000680656_100000210202 [1,0,1,0,0,0|1,0,1]=4 1097 B16R0.661 CCCCCCCCCNCC(=O)OCCC 2230a_100000212291_200011215008 [1,0,1,0,0,0|1,0,1]=4 1098 B16R0.661 CCCCCCCCCNCC(=O)OCCC 34a_100000212291_200011215008 [1,0,1,0,0,0|1,0,1]=4 1099 B16R0.661 CCCCCCCCCOCC(=O)OCCC 34a_100000210712_200011215008 [1,0,1,0,0,0|1,0,1]=4 1100 B16R0.661 CCCCCCCCCOCC(=O)OCCC 7a_100000210712_200011215008 [1,0,1,0,0,0|1,0,1]=4 1101 B16R0.661 CCCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210670 [1,0,1,0,0,0|1,0,1]=4 1102 B16R0.68 CC#CCCCCCCCC(=O)CCCCC 1458a_100000066323_100000210326 [1,0,1,0,0,0|0,0,2]=4 1103 B16R0.68 CC/C=C\CCCCOCC(=O)CCCCC 34a_100016287862_200012276598 [1,0,1,0,0,0|1,0,0]=3 1104 B16R0.68 CC/C=C\CCCCOCC(=O)CCCCC 7a_100016287862_200012276598 [1,0,1,0,0,0|1,0,0]=3 1105 B16R0.68 CC/C=C\CCCCOCC(=O)NCCCC 34a_100016287862_100000182744 [1,0,1,0,0,0|2,0,0]=4 1106 B16R0.68 CC/C=C\CCCCOCC(=O)NCCCC 7a_100016287862_100000182744 [1,0,1,0,0,0|2,0,0]=4 1107 B16R0.68 CC/C=C\CCCCOCC(=O)OCCCC 34a_100016287862_100000211628 [1,0,1,0,0,0|1,0,0]=3 1108 B16R0.68 CC/C=C\CCCCOCC(=O)OCCCC 7a_100016287862_100000211628 [1,0,1,0,0,0|1,0,0]=3 1109 B16R0.68 CC/C=C\CCCCOCC(=O)OCCOC 34a_100016287862_200000040189 [1,0,1,0,0,0|2,0,0]=4 1110 B16R0.68 CC/C=C\CCCCOCC(=O)OCCOC 7a_100016287862_200000040189 [1,0,1,0,0,0|2,0,0]=4 1111 B16R0.68 CCC#CCCCCCCC(=O)CCCCC 1458a_100000212188_200000036426 [1,0,1,0,0,0|0,0,2]=4 1112 B16R0.68 CCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210375 [1,0,1,0,0,0|1,0,1]=4 1113 B16R0.68 CCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210375 [1,0,1,0,0,0|1,0,1]=4 1114 B16R0.68 CCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210375 [1,0,1,0,0,0|1,0,1]=4 1115 B16R0.68 CCCCCCCCCNC(=O)CCCCC 11a_100000212291_100000212188 [1,0,1,0,0,0|1,0,1]=4 1116 B16R0.68 CCCCCCCCCNC(=O)CCCCC 1626a_100000212291_100000212188 [1,0,1,0,0,0|1,0,1]=4 1117 B16R0.68 CCCCCCCCCNC(=O)CCCCC 240690a_100000212291_100000212188 [1,0,1,0,0,0|1,0,1]=4 1118 B16R0.68 CCCCCCCCCNC(=O)CCCCC 527a_100000212291_100000212188 [1,0,1,0,0,0|1,0,1]=4 1119 B16R0.68 CCCCCCCCNCC(=O)OCCCC 2230a_100000229939_100000211628 [1,0,1,0,0,0|1,0,1]=4 1120 B16R0.68 CCCCCCCCNCC(=O)OCCCC 34a_100000229939_100000211628 [1,0,1,0,0,0|1,0,1]=4 1121 B16R0.68 CCCCCCCCOCC(=O)OCCCC 34a_100000210232_100000211628 [1,0,1,0,0,0|1,0,1]=4 1122 B16R0.68 CCCCCCCCOCC(=O)OCCCC 7a_100000210232_100000211628 [1,0,1,0,0,0|1,0,1]=4 1123 B16R0.68 CCCCCCCCSCC(=O)OCCCC 62a_100000210759_100000211628 [1,0,1,0,0,0|1,0,1]=4 1124 B16R0.68 CCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210317 [1,0,1,0,0,0|1,0,1]=4 1125 B16R0.6603 C#CCCCCC(=O)CCCCCCCC=C 1458a_100000696528_100012355270 [1,0,1,0,0,0|0,0,2]=4 1126 B16R0.6603 C#CCCCCC(=O)CCCCCCCC=C 1458a_100011216160_100010269958 [1,0,1,0,0,0|0,0,2]=4 1127 B16R0.6603 C#CCCCCCCCC(=O)CCCCCC 1458a_100000087357_100000210757 [1,0,1,0,0,0|0,0,2]=4 1128 B16R0.6603 C#CCCCCCCCC(=O)CCCCCC 1458a_100102632555_100153394163 [1,0,1,0,0,0|0,0,2]=4 1129 B16R0.6603 C=CCCCCCCCC(=O)CCCCC#N 1458a_100011216160_100000211819 [1,0,1,0,0,0|1,0,1]=4 1130 B16R0.6603 C=CCCCCCCCC(=O)CCCCCO 1458a_100011216160_100000746330 [1,0,1,0,0,0|1,0,0]=3 1131 B16R0.6603 C=CCCCCCCCC(=O)CCCCCO 1458a_100102619762_100012355270 [1,0,1,0,0,0|1,0,0]=3 1132 B16R0.6603 C=CCCCCCCCC(=O)CCCCOC 1458a_100011216160_100000755781 [1,0,1,0,0,0|1,0,0]=3 1133 B16R0.6603 C=CCCCCCCCC(=O)CCCOCC 1458a_100011216160_100012232248 [1,0,1,0,0,0|1,0,0]=3 1134 B16R0.6603 C=CCCCCCCCC(=O)CCOCCC 1458a_100011216160_100011215938 [1,0,1,0,0,0|1,0,0]=3 1135 B16R0.6603 C=CCCCCCCCC(=O)CCOCCO 1458a_100011216160_100011215305 [1,0,1,0,0,0|2,0,0]=4 1136 B16R0.6603 C=CCCCCCCCC(=O)CCOCCO 1458a_100011229844_100012355270 [1,0,1,0,0,0|2,0,0]=4 1137 B16R0.6603 C=CCCCCCCCC(=O)COCCCC 1458a_100000757543_100012355270 [1,0,1,0,0,0|1,0,0]=3 1138 B16R0.6603 C=CCCCCCCCC(=O)COCCCC 1458a_100011216160_100011995733 [1,0,1,0,0,0|1,0,0]=3 1139 B16R0.6603 C=CCCCCCCCC(=O)COCCOC 1458a_100000211095_100012355270 [1,0,1,0,0,0|2,0,0]=4 1140 B16R0.6603 C=CCCCCCCCC(=O)NCCCCC 11a_100000209983_100011216160 [1,0,1,0,0,0|1,0,0]=3 1141 B16R0.6603 C=CCCCCCCCC(=O)NCCCCC 1626a_100000209983_100011216160 [1,0,1,0,0,0|1,0,0]=3 1142 B16R0.6603 C=CCCCCCCCC(=O)NCCCCC 240690a_100000209983_100011216160 [1,0,1,0,0,0|1,0,0]=3 1143 B16R0.6603 C=CCCCCCCCC(=O)NCCCCC 527a_100000209983_100011216160 [1,0,1,0,0,0|1,0,0]=3 1144 B16R0.6603 C=CCCCCCCCC(=O)NCCCCO 240690a_100000750430_100011216160 [1,0,1,0,0,0|2,0,0]=4 1145 B16R0.6603 C=CCCCCCCCC(=O)NCCCCO 527a_100000750430_100011216160 [1,0,1,0,0,0|2,0,0]=4 1146 B16R0.6603 C=CCCCCCCCC(=O)NCCCOC 1626a_100150723488_100011216160 [1,0,1,0,0,0|2,0,0]=4 1147 B16R0.6603 C=CCCCCCCCC(=O)NCCCOC 240690a_100150723488_100011216160 [1,0,1,0,0,0|2,0,0]=4 1148 B16R0.6603 C=CCCCCCCCC(=O)NCCCOC 527a_100150723488_100011216160 [1,0,1,0,0,0|2,0,0]=4 1149 B16R0.6603 C=CCCCCCCCC(=O)NCCCSC 11a_100000749238_100011216160 [1,0,1,0,0,0|2,0,0]=4 1150 B16R0.6603 C=CCCCCCCCC(=O)NCCCSC 1626a_100000749238_100011216160 [1,0,1,0,0,0|2,0,0]=4 1151 B16R0.6603 C=CCCCCCCCC(=O)NCCCSC 240690a_100000749238_100011216160 [1,0,1,0,0,0|2,0,0]=4 1152 B16R0.6603 C=CCCCCCCCC(=O)NCCCSC 527a_100000749238_100011216160 [1,0,1,0,0,0|2,0,0]=4 1153 B16R0.6603 C=CCCCCCCCC(=O)NCCOCC 11a_100011200944_100011216160 [1,0,1,0,0,0|2,0,0]=4 1154 B16R0.6603 C=CCCCCCCCC(=O)NCCOCC 1626a_102516460346_100011216160 [1,0,1,0,0,0|2,0,0]=4 1155 B16R0.6603 C=CCCCCCCCC(=O)NCCOCC 240690a_100011200944_100011216160 [1,0,1,0,0,0|2,0,0]=4 1156 B16R0.6603 C=CCCCCCCCC(=O)NCCOCC 527a_100011200944_100011216160 [1,0,1,0,0,0|2,0,0]=4 1157 B16R0.6603 C=CCCCCCCCC(=O)NCCSCC 11a_100000106463_100011216160 [1,0,1,0,0,0|2,0,0]=4 1158 B16R0.6603 C=CCCCCCCCC(=O)NCCSCC 1626a_100000106463_100011216160 [1,0,1,0,0,0|2,0,0]=4 1159 B16R0.6603 C=CCCCCCCCC(=O)NCCSCC 240690a_100000106463_100011216160 [1,0,1,0,0,0|2,0,0]=4 1160 B16R0.6603 C=CCCCCCCCC(=O)NCCSCC 527a_100000106463_100011216160 [1,0,1,0,0,0|2,0,0]=4 1161 B16R0.6603 C=CCCCCCCCC(=O)NNCCCC 22a_100025702795_100011216160 [1,0,1,0,0,0|2,0,0]=4 1162 B16R0.6603 C=CCCCCCOCC(=O)NCCCCC 34a_100011216702_100000230301 [1,0,1,0,0,0|2,0,0]=4 1163 B16R0.6603 C=CCCCCCOCC(=O)NCCCCC 7a_100011216702_100000230301 [1,0,1,0,0,0|2,0,0]=4 1164 B16R0.6603 C=CCCCCCOCC(=O)OCCOCC 34a_100011216702_200000101388 [1,0,1,0,0,0|2,0,0]=4 1165 B16R0.6603 C=CCCCCCOCC(=O)OCCOCC 7a_100011216702_200000101388 [1,0,1,0,0,0|2,0,0]=4 1166 B16R0.6603 C=CCCCCCSCC(=O)NCCCCC 62a_100000230301_100000700193 [1,0,1,0,0,0|2,0,0]=4 1167 B16R0.6603 C=CCCCCCSCC(=O)NCCCCC 62a_100000700193_100000230301 [1,0,1,0,0,0|2,0,0]=4 1168 B16R0.6603 C=CCCCCCSCC(=O)OCCOCC 62a_100000700193_200000101388 [1,0,1,0,0,0|2,0,0]=4 1169 B16R0.6603 C=CCCCCCSCC(=O)OCCOCC 62a_200000101388_100000700193 [1,0,1,0,0,0|2,0,0]=4 1170 B16R0.6603 CCCCCCC(=O)CCCCCCCCO 1458a_100102632555_100000033203 [1,0,1,0,0,0|1,0,1]=4 1171 B16R0.6603 CCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000210558 [1,0,1,0,0,0|1,0,1]=4 1172 B16R0.6603 CCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000210558 [1,0,1,0,0,0|1,0,1]=4 1173 B16R0.6603 CCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000210558 [1,0,1,0,0,0|1,0,1]=4 1174 B16R0.6603 CCCCCCCCCC(=O)NCCCCC 527a_100000209983_100000210558 [1,0,1,0,0,0|1,0,1]=4 1175 B16R0.6603 CCCCCCCCCC(=O)OCOCCC 34a_100000210258_200010990708 [1,0,1,0,0,0|1,0,1]=4 1176 B16R0.6603 CCCCCCCCCC(=O)OCSCCC 62a_100000210303_200010990708 [1,0,1,0,0,0|1,0,1]=4 1177 B16R0.6603 CCCCCCCCNC(=O)CCCCCC 11a_100000229939_100102632555 [1,0,1,0,0,0|1,0,1]=4 1178 B16R0.6603 CCCCCCCCNC(=O)CCCCCC 1626a_100000229939_100102632555 [1,0,1,0,0,0|1,0,1]=4 1179 B16R0.6603 CCCCCCCCNC(=O)CCCCCC 240690a_100000229939_100102632555 [1,0,1,0,0,0|1,0,1]=4 1180 B16R0.6603 CCCCCCCCNC(=O)CCCCCC 527a_100000229939_100102632555 [1,0,1,0,0,0|1,0,1]=4 1181 B18R0.94 CCCCCCC=CC(=O)CCCCCOC(=O)C 1458a_200015324643_100000033007 [0,1,1,0,0,0|0,0,1]=3 1182 B18R0.94 CCCCCCC=CC(=O)CCOCCOC(=O)C 1458a_200015324643_200000083610 [0,1,1,0,0,0|1,0,1]=4 1183 B18R0.127 CCCCCCC(=O)NCCCCCCNC(=O)C 11a_200011996284_100102632555 [0,1,1,0,0,0|2,0,0]=4 1184 B18R0.127 CCCCCCC(=O)NCCCCCCNC(=O)C 1626a_200011996284_100102632555 [0,1,1,0,0,0|2,0,0]=4 1185 B18R0.127 CCCCCCC(=O)NCCCCCCNC(=O)C 240690a_200011996284_100102632555 [0,1,1,0,0,0|2,0,0]=4 1186 B18R0.127 CCCCCCC(=O)NCCCCCCNC(=O)C 527a_200011996284_100102632555 [0,1,1,0,0,0|2,0,0]=4 1187 B18R0.127 CCCCCCC(=O)NCCCCCCSC(=O)C 11a_100000704104_100102632555 [0,1,1,0,0,0|1,1,0]=4 1188 B18R0.127 CCCCCCC(=O)NCCCCCCSC(=O)C 1626a_100000704104_100102632555 [0,1,1,0,0,0|1,1,0]=4 1189 B18R0.127 CCCCCCC(=O)NCCCCCCSC(=O)C 240690a_100000704104_100102632555 [0,1,1,0,0,0|1,1,0]=4 1190 B18R0.127 CCCCCCC(=O)NCCCCCCSC(=O)C 527a_100000704104_100102632555 [0,1,1,0,0,0|1,1,0]=4 1191 B18R0.171 CCCCCC/C=C/COCCCCCC(=O)OC 34a_200016276170_100009816466 [0,1,1,0,0,0|1,0,0]=3 1192 B18R0.171 CCCCCC/C=C/COCCCCCC(=O)OC 7a_200016276170_100009816466 [0,1,1,0,0,0|1,0,0]=3 1193 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 11a_106832991635_100020587579 [0,1,1,0,0,0|1,0,0]=3 1194 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 1626a_100102657272_100020587579 [0,1,1,0,0,0|1,0,0]=3 1195 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 240690a_100102657272_100020587579 [0,1,1,0,0,0|1,0,0]=3 1196 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 527a_100102657272_100020587579 [0,1,1,0,0,0|1,0,0]=3 1197 B18R0.171 CCCCCCCNCCCCCCCC(=O)OC 2230a_100000229938_100010004213 [0,1,1,0,0,0|1,0,1]=4 1198 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100000210272_100010004213 [0,1,1,0,0,0|1,0,1]=4 1199 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210614 [0,1,1,0,0,0|1,0,1]=4 1200 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100000210272_100010004213 [0,1,1,0,0,0|1,0,1]=4 1201 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210614 [0,1,1,0,0,0|1,0,1]=4 1202 B18R0.171 CCCCCCNCCCCCCCCC(=O)OC 2230a_100000210581_100010282707 [0,1,1,0,0,0|1,0,1]=4 1203 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210314 [0,1,1,0,0,0|1,0,1]=4 1204 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000210259_100010282707 [0,1,1,0,0,0|1,0,1]=4 1205 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210314 [0,1,1,0,0,0|1,0,1]=4 1206 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000210259_100010282707 [0,1,1,0,0,0|1,0,1]=4 1207 B18R0.176 CC/C=C/CC/C=C/COCCCCCOC(=O)C 34a_100016264143_100000033007 [0,1,1,0,0,0|0,0,2]=4 1208 B18R0.176 CC/C=C/CC/C=C/COCCCCCOC(=O)C 7a_100016264143_100000033007 [0,1,1,0,0,0|0,0,2]=4 1209 B18R0.176 CCCCC/C=C/C=C/COCCCCOC(=O)C 34a_200014065772_100000033659 [0,1,1,0,0,0|0,0,2]=4 1210 B18R0.176 CCCCC/C=C/C=C/COCCCCOC(=O)C 7a_200014065772_100000033659 [0,1,1,0,0,0|0,0,2]=4 1211 B18R0.176 CCCCC/C=C\CCCOCCCCOC(=O)C 34a_100020655193_100000033659 [0,1,1,0,0,0|0,0,2]=4 1212 B18R0.176 CCCCC/C=C\CCCOCCCCOC(=O)C 7a_100020655193_100000033659 [0,1,1,0,0,0|0,0,2]=4 1213 B18R0.176 CCCCC/C=C\CCOCCCCCOC(=O)C 34a_100016277358_100000033007 [0,1,1,0,0,0|0,0,2]=4 1214 B18R0.176 CCCCC/C=C\CCOCCCCCOC(=O)C 7a_100016277358_100000033007 [0,1,1,0,0,0|0,0,2]=4 1215 B18R0.176 CCCCCC/C=C/C=C/COCCCOC(=O)C 34a_200028454808_100000042594 [0,1,1,0,0,0|0,0,2]=4 1216 B18R0.176 CCCCCC/C=C/C=C/COCCCOC(=O)C 7a_200028454808_100000042594 [0,1,1,0,0,0|0,0,2]=4 1217 B18R0.176 CCCCCC/C=C/COCCCCCCB(O)O 34a_200016276170_100009817187 [0,1,1,0,0,0|1,0,1]=4 1218 B18R0.176 CCCCCC/C=C/COCCCCCCB(O)O 7a_200016276170_100009817187 [0,1,1,0,0,0|1,0,1]=4 1219 B18R0.176 CCCCCC/C=C/COCCCCCOC(=O)C 34a_200016276170_100000033007 [0,1,1,0,0,0|0,0,0]=2 1220 B18R0.176 CCCCCC/C=C/COCCCCCOC(=O)C 7a_200016276170_100000033007 [0,1,1,0,0,0|0,0,0]=2 1221 B18R0.176 CCCCCC/C=C/COCCOCCOC(=O)C 34a_200016276170_200000083610 [0,1,1,0,0,0|1,0,0]=3 1222 B18R0.176 CCCCCC/C=C/COCCOCCOC(=O)C 7a_200016276170_200000083610 [0,1,1,0,0,0|1,0,0]=3 1223 B18R0.176 CCCCCCC#CCCOCCCCOC(=O)C 34a_200000033163_100000033659 [0,1,1,0,0,0|0,0,2]=4 1224 B18R0.176 CCCCCCC#CCCOCCCCOC(=O)C 7a_200000033163_100000033659 [0,1,1,0,0,0|0,0,2]=4 1225 B18R0.176 CCCCCCC#CCOCCCCCOC(=O)C 34a_200000037284_100000033007 [0,1,1,0,0,0|0,0,2]=4 1226 B18R0.176 CCCCCCC#CCOCCCCCOC(=O)C 7a_200000037284_100000033007 [0,1,1,0,0,0|0,0,2]=4 1227 B18R0.176 CCCCCCCCCCCCCNCOC(=O)C 34a_100011215765_100009813279 [0,1,1,0,0,0|0,0,2]=4 1228 B18R0.176 CCCCCCCCCCCCCOCOC(=O)C 34a_100000185773_100009813279 [0,1,1,0,0,0|0,0,2]=4 1229 B18R0.176 CCCCCCCCCCCCNCCOC(=O)C 34a_100000210451_100009814007 [0,1,1,0,0,0|0,0,2]=4 1230 B18R0.176 CCCCCCCCCCCCOCCOC(=O)C 34a_100000210810_100009814007 [0,1,1,0,0,0|0,0,2]=4 1231 B18R0.176 CCCCCCCCCCCCOCCOC(=O)C 7a_100000210810_100009814007 [0,1,1,0,0,0|0,0,2]=4 1232 B18R0.176 CCCCCCCCCCCNCCCOC(=O)C 34a_200011215754_100000042594 [0,1,1,0,0,0|0,0,2]=4 1233 B18R0.176 CCCCCCCCCCCOCCCOC(=O)C 34a_100000210809_100000042594 [0,1,1,0,0,0|0,0,2]=4 1234 B18R0.176 CCCCCCCCCCCOCCCOC(=O)C 7a_100000210809_100000042594 [0,1,1,0,0,0|0,0,2]=4 1235 B18R0.176 CCCCCCCCCCNCCCCOC(=O)C 34a_100000684558_100000033659 [0,1,1,0,0,0|0,0,2]=4 1236 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210320 [0,1,1,0,0,0|0,0,2]=4 1237 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 34a_100000210711_100000033659 [0,1,1,0,0,0|0,0,2]=4 1238 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210320 [0,1,1,0,0,0|0,0,2]=4 1239 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 7a_100000210711_100000033659 [0,1,1,0,0,0|0,0,2]=4 1240 B18R0.176 CCCCCCCCCNCCCCCOC(=O)C 2230a_100000212291_100009813381 [0,1,1,0,0,0|0,0,2]=4 1241 B18R0.176 CCCCCCCCCNCCCCCOC(=O)C 34a_100000212291_100000033007 [0,1,1,0,0,0|0,0,2]=4 1242 B18R0.176 CCCCCCCCCOCCCCCOC(=O)C 34a_100000210712_100000033007 [0,1,1,0,0,0|0,0,2]=4 1243 B18R0.176 CCCCCCCCCOCCCCCOC(=O)C 7a_100000210712_100000033007 [0,1,1,0,0,0|0,0,2]=4 1244 B18R0.176 CCCCCCOCCOCCCCCOC(=O)C 34a_100000691444_100000033007 [0,1,1,0,0,0|1,0,1]=4 1245 B18R0.176 CCCCCCOCCOCCCCCOC(=O)C 7a_100000691444_100000033007 [0,1,1,0,0,0|1,0,1]=4 1246 B18R0.7250 CCCCCCNC(=O)COCCCCOC(=O)C 34a_100000073216_100000230325 [0,1,1,0,0,0|2,0,0]=4 1247 B18R0.7250 CCCCCCNC(=O)COCCCCOC(=O)C 7a_100000073216_100000230325 [0,1,1,0,0,0|2,0,0]=4 1248 B18R0.7250 CCCCCCNC(=O)CSCCCCOC(=O)C 62a_100000230325_100000033659 [0,1,1,0,0,0|2,0,0]=4 1249 B18R0.11628 CCCCCC/C=C/CC(=O)CCCCCC(=O)N 1458a_100020681715_100009817443 [0,1,1,0,0,0|1,0,1]=4 1250 B18R0.11628 CCCCCC/C=C/CC(=O)CCCCOC(=O)C 1458a_100020681715_100000033659 [0,1,1,0,0,0|0,0,1]=3 1251 B18R0.11628 CCCCCC/C=C/CC(=O)CCCCSC(=O)C 1458a_100020681715_200010402107 [0,1,1,0,0,0|0,1,1]=4 1252 B18R0.11621 C=CCCCCCCCC(=O)NCCCCCCC 11a_100000229938_100011216160 [0,1,1,0,0,0|1,0,1]=4 1253 B18R0.11621 C=CCCCCCCCC(=O)NCCCCCCC 1626a_100000229938_100011216160 [0,1,1,0,0,0|1,0,1]=4 1254 B18R0.11621 C=CCCCCCCCC(=O)NCCCCCCC 240690a_100000229938_100011216160 [0,1,1,0,0,0|1,0,1]=4 1255 B18R0.11621 C=CCCCCCCCC(=O)NCCCCCCC 527a_100000229938_100011216160 [0,1,1,0,0,0|1,0,1]=4 1256 B18R0.11621 C=CCCCCCCCC(=O)NCCCCCCO 240690a_100000686447_100011216160 [0,1,1,0,0,0|2,0,0]=4 1257 B18R0.11621 C=CCCCCCCCC(=O)NCCCCCCO 527a_100000686447_100011216160 [0,1,1,0,0,0|2,0,0]=4 1258 B18R0.126 CCCCC=CC(=O)CCCCCCCC(=O)OC 1458a_100016266645_100010004213 [0,1,1,0,0,0|0,0,1]=3 1259 B18R0.126 CCCCC=CC(=O)NCCCCCCC(=O)OC 188690a_100000739044_100016266645 [0,1,1,0,0,0|1,0,1]=4 1260 B18R0.126 CCCCCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210757 [0,1,1,0,0,0|0,0,1]=3 1261 B18R0.126 CCCCCCC(=O)CCCCCCCC(=O)OC 1458a_100102632555_100010004213 [0,1,1,0,0,0|0,0,1]=3 1262 B18R0.126 CCCCCCC(=O)NCCCCCCC(=O)OC 188690a_100000739044_100102632555 [0,1,1,0,0,0|1,0,1]=4 1263 B18R0.126 CCCCCCN(C)CCCCCCCC(=O)OC 2230a_106256046315_100010004213 [0,1,1,0,0,0|1,0,1]=4 1264 B18R0.126 CCCCCCN(C)CCCCCCCC(=O)OC 269982a_106256046315_100010004213 [0,1,1,0,0,0|1,0,1]=4 1265 B18R0.126 CCCCCNC(=O)CCCCCCCC(=O)OC 11a_100000209983_100000033222 [0,1,1,0,0,0|1,0,0]=3 1266 B18R0.126 CCCCCNC(=O)CCCCCCCC(=O)OC 1626a_100000209983_100000033222 [0,1,1,0,0,0|1,0,0]=3 1267 B18R0.126 CCCCCNC(=O)CCCCCCCC(=O)OC 240690a_100000209983_100000033222 [0,1,1,0,0,0|1,0,0]=3 1268 B18R0.126 CCCCCNC(=O)COCCCCCC(=O)OC 34a_100000074720_100000230301 [0,1,1,0,0,0|2,0,0]=4 1269 B18R0.126 CCCCCNC(=O)COCCCCCC(=O)OC 7a_100000074720_100000230301 [0,1,1,0,0,0|2,0,0]=4 1270 B18R0.126 CCCCCNC(=O)CSCCCCCC(=O)OC 62a_100000230301_100009816466 [0,1,1,0,0,0|2,0,0]=4 1271 B18R0.126 CCCCCNC(=O)CSCCCCCC(=O)OC 62a_100009816466_100000230301 [0,1,1,0,0,0|2,0,0]=4 1272 B18R0.126 CCCCOCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100011995733 [0,1,1,0,0,0|1,0,1]=4 1273 B18R0.126 CCCCOCC(=O)CCCCCCCC(=O)OC 1458a_100000757543_100010004213 [0,1,1,0,0,0|1,0,1]=4 1274 B18R0.126 CCCCSCC(=O)CCCCCCCC(=O)OC 1458a_100000191162_100010004213 [0,1,1,0,0,0|1,0,1]=4 1275 B18R0.126 CCCOCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100011215938 [0,1,1,0,0,0|1,0,1]=4 1276 B18R0.126 CCOCCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100012232248 [0,1,1,0,0,0|1,0,1]=4 1277 B18R0.126 CCOCCNC(=O)CCCCCCCC(=O)OC 11a_100011200944_100000033222 [0,1,1,0,0,0|2,0,0]=4 1278 B18R0.126 CCOCCNC(=O)CCCCCCCC(=O)OC 1626a_102516460346_100000033222 [0,1,1,0,0,0|2,0,0]=4 1279 B18R0.126 CCOCCNC(=O)CCCCCCCC(=O)OC 240690a_100011200944_100000033222 [0,1,1,0,0,0|2,0,0]=4 1280 B18R0.126 CCSCCNC(=O)CCCCCCCC(=O)OC 11a_100000106463_100000033222 [0,1,1,0,0,0|2,0,0]=4 1281 B18R0.126 CCSCCNC(=O)CCCCCCCC(=O)OC 1626a_100000106463_100000033222 [0,1,1,0,0,0|2,0,0]=4 1282 B18R0.126 CCSCCNC(=O)CCCCCCCC(=O)OC 240690a_100000106463_100000033222 [0,1,1,0,0,0|2,0,0]=4 1283 B18R0.126 COC(=O)CCCCCCCC(=O)CCCCCF 1458a_100000033222_100000729378 [0,1,1,0,0,0|1,0,1]=4 1284 B18R0.126 COC(=O)CCCCCCCC(=O)CCCCCO 1458a_100000033222_100000746330 [0,1,1,0,0,0|1,0,1]=4 1285 B18R0.126 COC(=O)CCCCCCCC(=O)CCCCCO 1458a_100102619762_100010004213 [0,1,1,0,0,0|1,0,1]=4 1286 B18R0.126 COC(=O)CCCCCCCC(=O)NCCCCO 240690a_100000750430_100000033222 [0,1,1,0,0,0|2,0,0]=4 1287 B18R0.126 COC(=O)CCCCCCCC(=O)NCCCSC 11a_100000749238_100000033222 [0,1,1,0,0,0|2,0,0]=4 1288 B18R0.126 COC(=O)CCCCCCCC(=O)NCCCSC 1626a_100000749238_100000033222 [0,1,1,0,0,0|2,0,0]=4 1289 B18R0.126 COC(=O)CCCCCCCC(=O)NCCCSC 240690a_100000749238_100000033222 [0,1,1,0,0,0|2,0,0]=4 1290 B18R0.126 COCCCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000755781 [0,1,1,0,0,0|1,0,1]=4 1291 B18R0.126 COCCCNC(=O)CCCCCCCC(=O)OC 1626a_100150723488_100000033222 [0,1,1,0,0,0|2,0,0]=4 1292 B18R0.126 COCCCNC(=O)CCCCCCCC(=O)OC 240690a_100150723488_100000033222 [0,1,1,0,0,0|2,0,0]=4 1293 B18R0.175 CCCCC/C=C\CCCOC[C@H](O)CC(=O)OC 34a_100020655193_100000754131 [0,1,1,0,0,0|1,0,0]=3 1294 B18R0.175 CCCCC/C=C\CCCOC[C@H](O)CC(=O)OC 7a_100020655193_100000754131 [0,1,1,0,0,0|1,0,0]=3 1295 B18R0.189 CCCCC/C=C\CCCOCCC(C)C(=O)OC 34a_100020655193_100000034942 [0,1,1,0,0,0|1,0,0]=3 1296 B18R0.189 CCCCC/C=C\CCCOCCC(C)C(=O)OC 7a_100020655193_100000034942 [0,1,1,0,0,0|1,0,0]=3 1297 B18R0.1436 CCCC(C)CCOCCCCCCCC(=O)OC 34a_100011217855_100010004213 [0,1,1,0,0,0|1,0,1]=4 1298 B18R0.1436 CCCC(C)CCOCCCCCCCC(=O)OC 7a_100011217855_100010004213 [0,1,1,0,0,0|1,0,1]=4 1299 B18R0.1436 CCCC(C)COCCCCCCCCC(=O)OC 34a_100000035544_100011216630 [0,1,1,0,0,0|1,0,1]=4 1300 B18R0.1436 CCCC(C)COCCCCCCCCC(=O)OC 34a_100000688023_100010282707 [0,1,1,0,0,0|1,0,1]=4 1301 B18R0.1436 CCCC(C)COCCCCCCCCC(=O)OC 7a_100000035544_100011216630 [0,1,1,0,0,0|1,0,1]=4 1302 B18R0.1436 CCCC(C)COCCCCCCCCC(=O)OC 7a_100000688023_100010282707 [0,1,1,0,0,0|1,0,1]=4 1303 B18R0.1436 CCC[C@H](N)CCOCCCCCCCC(=O)OC 34a_100015193777_100010004213 [0,1,1,0,0,0|1,0,1]=4 1304 B18R0.1436 CCC[C@H](N)COCCCCCCCCC(=O)OC 34a_100000732646_100010282707 [0,1,1,0,0,0|1,0,1]=4 1305 B18R0.7795 CCCCC/C=C\CCOCC(=O)CCC(=O)OC 34a_100016277358_100000691467 [0,1,1,0,0,0|1,0,1]=4 1306 B18R0.7795 CCCCC/C=C\CCOCC(=O)CCC(=O)OC 7a_100016277358_100000691467 [0,1,1,0,0,0|1,0,1]=4 1307 B18R0.11627 CCCCC/C=C/CCC(=O)CCCCC(=O)OC 1458a_200015255902_100000204269 [0,1,1,0,0,0|0,0,1]=3 1308 B18R0.11627 CCCCC/C=C/CCC(=O)CCOCC(=O)OC 1458a_200015255902_100000090808 [0,1,1,0,0,0|1,0,1]=4 1309 B18R0.11627 CCCCC/C=C/CCC(=O)NCCCC(=O)OC 188690a_100000184769_200015255902 [0,1,1,0,0,0|1,0,1]=4 1310 B18R0.15765 CCC(C)CCCOCCCCCCCC(=O)OC 7a_100011216074_100010004213 [0,1,1,0,0,0|1,0,1]=4 1311 B18R0.15765 CCC(C)CCNCCCCCCCCC(=O)OC 2230a_100020591266_100010282707 [0,1,1,0,0,0|1,0,1]=4 1312 B18R0.15765 CCC(C)CCOCCCCCCCCC(=O)OC 7a_100011215188_100010282707 [0,1,1,0,0,0|1,0,1]=4 1313 B18R0.19335 CCCCCC=CC(=O)CCCCCCC(=O)OC 1458a_100016263427_100009815986 [0,1,1,0,0,0|0,0,1]=3 1314 B18R0.19335 CCCCCC=CC(=O)NCCCCCC(=O)OC 188690a_100000184999_100016263427 [0,1,1,0,0,0|1,0,1]=4 1315 B18R0.19859 CCCCC(C)COCCCCCCCC(=O)OC 34a_100011995851_100010004213 [0,1,1,0,0,0|1,0,1]=4 1316 B18R0.19859 CCCCC(C)COCCCCCCCC(=O)OC 7a_100011995851_100010004213 [0,1,1,0,0,0|1,0,1]=4 1317 B18R0.19859 CCCCC(C)NCCCCCCCCC(=O)OC 2230a_100000126638_100010282707 [0,1,1,0,0,0|1,0,1]=4 1318 B18R0.19859 CCCCC(C)OCCCCCCCCC(=O)OC 34a_100000035544_200011215066 [0,1,1,0,0,0|1,0,1]=4 1319 B18R0.19859 CCCCC(C)OCCCCCCCCC(=O)OC 34a_100000687866_100010282707 [0,1,1,0,0,0|1,0,1]=4 1320 B18R0.19859 CCCCC(C)OCCCCCCCCC(=O)OC 7a_100000035544_200011215066 [0,1,1,0,0,0|1,0,1]=4 1321 B18R0.19859 CCCCC(C)OCCCCCCCCC(=O)OC 7a_100000687866_100010282707 [0,1,1,0,0,0|1,0,1]=4 1322 B18R0.19859 CCCC[C@H](N)COCCCCCCCC(=O)OC 34a_100011934283_100010004213 [0,1,1,0,0,0|1,0,1]=4 1323 B18R0.20486 CCCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210326 [0,1,1,0,0,0|0,0,1]=3 1324 B18R0.20486 CCCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000212188_100010282707 [0,1,1,0,0,0|0,0,1]=3 1325 B18R0.20486 CCCCCC(=O)COCCCCCCC(=O)OC 34a_100009863599_200012276598 [0,1,1,0,0,0|1,0,1]=4 1326 B18R0.20486 CCCCCC(=O)COCCCCCCC(=O)OC 7a_100009863599_200012276598 [0,1,1,0,0,0|1,0,1]=4 1327 B18R0.20486 CCCCCC(=O)CSCCCCCCC(=O)OC 62a_100009815986_200012276598 [0,1,1,0,0,0|1,0,1]=4 1328 B18R0.20486 CCCCCC(=O)CSCCCCCCC(=O)OC 62a_200012276598_100009815986 [0,1,1,0,0,0|1,0,1]=4 1329 B18R0.20486 CCCCCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000212188 [0,1,1,0,0,0|1,0,0]=3 1330 B18R0.20486 CCCCCC(C)NCCCCCCCC(=O)OC 2230a_100000211957_100010004213 [0,1,1,0,0,0|1,0,1]=4 1331 B18R0.20486 CCCCCC(C)OCCCCCCCC(=O)OC 34a_100011022521_200011218191 [0,1,1,0,0,0|1,0,1]=4 1332 B18R0.20486 CCCCCC(C)OCCCCCCCC(=O)OC 34a_100011215632_100010004213 [0,1,1,0,0,0|1,0,1]=4 1333 B18R0.20486 CCCCCC(C)OCCCCCCCC(=O)OC 7a_100011022521_200011218191 [0,1,1,0,0,0|1,0,1]=4 1334 B18R0.20486 CCCCCC(C)OCCCCCCCC(=O)OC 7a_100011215632_100010004213 [0,1,1,0,0,0|1,0,1]=4 1335 B18R0.20486 CCCCCN(C)CCCCCCCCC(=O)OC 2230a_100000223495_100010282707 [0,1,1,0,0,0|1,0,1]=4 1336 B18R0.20486 CCCCCN(C)CCCCCCCCC(=O)OC 269982a_100000223495_100010282707 [0,1,1,0,0,0|1,0,1]=4 1337 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 11a_100000102301_100000036616 [0,1,1,0,0,0|1,0,1]=4 1338 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 1626a_100000102301_100000036616 [0,1,1,0,0,0|1,0,1]=4 1339 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 240690a_100000102301_100000036616 [0,1,1,0,0,0|1,0,1]=4 1340 B18R0.20486 CCCOCC(=O)CCCCCCCCC(=O)OC 1458a_100000745993_100010282707 [0,1,1,0,0,0|1,0,1]=4 1341 B18R0.20486 CCCOCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000745993 [0,1,1,0,0,0|2,0,0]=4 1342 B18R0.20486 CCCSCC(=O)CCCCCCCCC(=O)OC 1458a_100000217233_100010282707 [0,1,1,0,0,0|1,0,1]=4 1343 B18R0.20486 CCCSCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000217233 [0,1,1,0,0,0|2,0,0]=4 1344 B18R0.20486 CCOCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100011215890 [0,1,1,0,0,0|1,0,1]=4 1345 B18R0.20486 CCOCCC(=O)CCCCCCCCC(=O)OC 1458a_100000749530_100010282707 [0,1,1,0,0,0|1,0,1]=4 1346 B18R0.20486 CCOCCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000749530 [0,1,1,0,0,0|2,0,0]=4 1347 B18R0.20486 CCSCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000757381 [0,1,1,0,0,0|1,0,1]=4 1348 B18R0.20486 CCSCCC(=O)CCCCCCCCC(=O)OC 1458a_100000230768_100010282707 [0,1,1,0,0,0|1,0,1]=4 1349 B18R0.20486 CCSCCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000230768 [0,1,1,0,0,0|2,0,0]=4 1350 B18R0.20486 COC(=O)CCCCCCCCC(=O)CCCCF 1458a_100000036616_100000729493 [0,1,1,0,0,0|1,0,1]=4 1351 B18R0.20486 COC(=O)CCCCCCCCC(=O)CCCCO 1458a_100000036616_100000210776 [0,1,1,0,0,0|1,0,1]=4 1352 B18R0.20486 COC(=O)CCCCCCCCC(=O)CCCCO 1458a_100000695505_100010282707 [0,1,1,0,0,0|1,0,1]=4 1353 B18R0.20486 COC(=O)CCCCCCCCC(=O)CCCSC 1458a_100000173376_100010282707 [0,1,1,0,0,0|1,0,1]=4 1354 B18R0.20486 COC(=O)CCCCCCCNC(=O)CCCCO 188690a_100000687944_100000695505 [0,1,1,0,0,0|2,0,0]=4 1355 B18R0.20486 COC(=O)CCCCCCCNC(=O)CCCSC 188690a_100000687944_100000173376 [0,1,1,0,0,0|2,0,0]=4 1356 B18R0.20486 COCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000740836 [0,1,1,0,0,0|1,0,1]=4 1357 B18R0.20486 COCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000741012_100010282707 [0,1,1,0,0,0|1,0,1]=4 1358 B18R0.20486 COCCCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000741012 [0,1,1,0,0,0|2,0,0]=4 1359 B18R0.41 CCCC/C=C/CC(=O)CCCCCC(=O)OCC 1458a_200016282684_100000755133 [0,1,1,0,0,0|0,0,1]=3 1360 B18R0.41 CCCC/C=C/CC(=O)CCCOCC(=O)OCC 1458a_200016282684_100009893628 [0,1,1,0,0,0|1,0,1]=4 1361 B18R0.41 CCCC/C=C/CC(=O)NCCCCC(=O)OCC 188690a_100000718961_200016282684 [0,1,1,0,0,0|1,0,1]=4 1362 B18R0.45 CCCC/C=C/CCCCOC(C)CC(=O)OCC 7a_200020645093_100009817359 [0,1,1,0,0,0|1,0,0]=3 1363 B18R0.73 CCCC(C)COCCCCCCCC(=O)OCC 34a_100000688023_100009991516 [0,1,1,0,0,0|1,0,1]=4 1364 B18R0.73 CCCC(C)COCCCCCCCC(=O)OCC 7a_100000688023_100009991516 [0,1,1,0,0,0|1,0,1]=4 1365 B18R0.73 CCCC(C)NCCCCCCCCC(=O)OCC 2230a_100000741246_100010175975 [0,1,1,0,0,0|1,0,1]=4 1366 B18R0.73 CCCC(C)OCCCCCCCCC(=O)OCC 34a_100000764384_100010175975 [0,1,1,0,0,0|1,0,1]=4 1367 B18R0.73 CCCC(C)OCCCCCCCCC(=O)OCC 7a_100000764384_100010175975 [0,1,1,0,0,0|1,0,1]=4 1368 B18R0.73 CCC[C@H](N)COCCCCCCCC(=O)OCC 34a_100000732646_100009991516 [0,1,1,0,0,0|1,0,1]=4 1369 B18R0.137 CCCCC=CC(=O)CCCCCCC(=O)OCC 1458a_100016266645_100009814379 [0,1,1,0,0,0|0,0,1]=3 1370 B18R0.137 CCCCC=CC(=O)NCCCCCC(=O)OCC 188690a_100000062434_100016266645 [0,1,1,0,0,0|1,0,1]=4 1371 B18R0.166 CCCC#CC(=O)CCCCCCCC(=O)OCC 1458a_200011218047_100009991516 [0,1,1,0,0,0|0,0,2]=4 1372 B18R0.166 CCCC=CC(=O)CCCCCCCC(=O)OCC 1458a_100000212230_100009991516 [0,1,1,0,0,0|0,0,1]=3 1373 B18R0.166 CCCC=CC(=O)NCCCCCCC(=O)OCC 188690a_100000741137_100000212230 [0,1,1,0,0,0|1,0,1]=4 1374 B18R0.166 CCCCCC(=O)CCCCCCCC(=O)OCC 1458a_100000212188_100009991516 [0,1,1,0,0,0|0,0,1]=3 1375 B18R0.166 CCCCCC(=O)COCCCCCC(=O)OCC 7a_100011214988_200012276598 [0,1,1,0,0,0|1,0,1]=4 1376 B18R0.166 CCCCCC(=O)CSCCCCCC(=O)OCC 62a_100000755133_200012276598 [0,1,1,0,0,0|1,0,1]=4 1377 B18R0.166 CCCCCC(=O)CSCCCCCC(=O)OCC 62a_200012276598_100000755133 [0,1,1,0,0,0|1,0,1]=4 1378 B18R0.166 CCCCCC(=O)NCCCCCCC(=O)OCC 188690a_100000741137_100000212188 [0,1,1,0,0,0|1,0,1]=4 1379 B18R0.166 CCCCCN(C)CCCCCCCC(=O)OCC 2230a_100000223495_100009991516 [0,1,1,0,0,0|1,0,1]=4 1380 B18R0.166 CCCCCN(C)CCCCCCCC(=O)OCC 269982a_100000223495_100009991516 [0,1,1,0,0,0|1,0,1]=4 1381 B18R0.166 CCCCNC(=O)COCCCCCC(=O)OCC 7a_100011214988_100000182744 [0,1,1,0,0,0|2,0,0]=4 1382 B18R0.166 CCCCNC(=O)CSCCCCCC(=O)OCC 62a_100000182744_100000755133 [0,1,1,0,0,0|2,0,0]=4 1383 B18R0.166 CCCCNC(=O)CSCCCCCC(=O)OCC 62a_100000755133_100000182744 [0,1,1,0,0,0|2,0,0]=4 1384 B18R0.166 CCCCOC(=O)COCCCCCC(=O)OCC 7a_100011214988_100000211628 [0,1,1,0,0,0|2,0,0]=4 1385 B18R0.166 CCCCOC(=O)CSCCCCCC(=O)OCC 62a_100000211628_100000755133 [0,1,1,0,0,0|2,0,0]=4 1386 B18R0.166 CCCCOC(=O)CSCCCCCC(=O)OCC 62a_100000755133_100000211628 [0,1,1,0,0,0|2,0,0]=4 1387 B18R0.166 CCCOCC(=O)CCCCCCCC(=O)OCC 1458a_100000745993_100009991516 [0,1,1,0,0,0|1,0,1]=4 1388 B18R0.166 CCCSCC(=O)CCCCCCCC(=O)OCC 1458a_100000217233_100009991516 [0,1,1,0,0,0|1,0,1]=4 1389 B18R0.166 CCOC(=O)CCCCCCCC(=O)C=CCOC 1458a_100016285016_100009991516 [0,1,1,0,0,0|1,0,1]=4 1390 B18R0.166 CCOC(=O)CCCCCCCC(=O)CCCCO 1458a_100000695505_100009991516 [0,1,1,0,0,0|1,0,1]=4 1391 B18R0.166 CCOC(=O)CCCCCCCC(=O)CCCOC 1458a_100000741012_100009991516 [0,1,1,0,0,0|1,0,1]=4 1392 B18R0.166 CCOC(=O)CCCCCCCC(=O)CCCSC 1458a_100000173376_100009991516 [0,1,1,0,0,0|1,0,1]=4 1393 B18R0.166 CCOC(=O)CCCCCCCC(=O)CCSCC 1458a_100000230768_100009991516 [0,1,1,0,0,0|1,0,1]=4 1394 B18R0.166 CCOC=CC(=O)CCCCCCCC(=O)OCC 1458a_100016266692_100009991516 [0,1,1,0,0,0|1,0,1]=4 1395 B18R0.166 CCOCCC(=O)CCCCCCCC(=O)OCC 1458a_100000749530_100009991516 [0,1,1,0,0,0|1,0,1]=4 1396 B18R0.11006 CC/C=C\CCCCCOC(C)C(=O)NCCCC 34a_100016268722_100000735917 [0,1,1,0,0,0|2,0,0]=4 1397 B18R0.11006 CC/C=C\CCCCCOC(C)C(=O)NCCCC 7a_100016268722_100000735917 [0,1,1,0,0,0|2,0,0]=4 1398 B18R0.11006 CC/C=C\CCCCCOC(C)C(=O)OCCCC 34a_100016268722_100000759602 [0,1,1,0,0,0|1,0,0]=3 1399 B18R0.11006 CC/C=C\CCCCCOC(C)C(=O)OCCCC 7a_100016268722_100000759602 [0,1,1,0,0,0|1,0,0]=3 1400 B18R0.9629 C=CCCCCCC(=O)CC(=O)NCCCCCC 1458a_100011934241_100000230325 [0,1,1,0,0,0|1,0,1]=4 1401 B18R0.9728 C=CCCCCC(=O)CNC(=O)CCCCCCC 1458a_100000691742_100011215482 [0,1,1,0,0,0|1,0,1]=4 1402 B18R0.9728 C=CCCCCC(=O)COC(=O)CCCCCCC 1458a_100011215552_100009852258 [0,1,1,0,0,0|0,0,1]=3 1403 B18R0.9728 C=CCCCCN(C)COC(=O)CCCCCCC 2230a_100012000471_100009852258 [0,1,1,0,0,0|1,0,0]=3 1404 B18R0.9728 C=CCCCCN(C)COC(=O)CCCCCCC 269982a_100012000471_100009852258 [0,1,1,0,0,0|1,0,0]=3 1405 B18R0.9728 C=CCOCCC(=O)COC(=O)CCCCCCC 1458a_200011217002_100009852258 [0,1,1,0,0,0|1,0,1]=4 1406 B18R0.20141 C=CCCCCCCCC(=O)C(O)CCCCCC 1458a_100011215828_100012355270 [0,1,1,0,0,0|1,0,0]=3 1407 B18R0.20141 C=CCCCCCCCC(=O)N(C)CCCCCC 11a_106256046315_100011216160 [0,1,1,0,0,0|1,0,0]=3 1408 B18R0.20141 C=CCCCCCCCC(=O)N(C)CCCCCC 1626a_106256046315_100011216160 [0,1,1,0,0,0|1,0,0]=3 1409 B18R0.20141 C=CCCCCCCCC(=O)N(C)CCCCCC 240690a_106256046315_100011216160 [0,1,1,0,0,0|1,0,0]=3 1410 B18R0.20141 C=CCCCCCCCC(=O)N(C)CCCCCC 527a_106256046315_100011216160 [0,1,1,0,0,0|1,0,0]=3 1411 B18R0.20141 C=CCCCCCCCC(=O)N(C)CCCCCO 240690a_100000722520_100011216160 [0,1,1,0,0,0|2,0,0]=4 1412 B18R1.4119 CCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210614 [0,0,1,1,0,0|1,0,1]=4 1413 B18R1.36057 CCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210757 [0,0,1,1,0,0|1,0,1]=4 1414 B18R1.953 CCCCC1C=CCN1CCCCCC(=O)OC 2230a_100015184376_100009816466 [0,0,1,1,0,0|1,0,0]=3 1415 B18R1.953 CCCCC1C=CCN1CCCCCC(=O)OC 269982a_100015184376_100009816466 [0,0,1,1,0,0|1,0,0]=3 1416 B18R1.953 CCCCC1C=CCN1CCCCCC(=O)OC 34a_100015184376_100009816466 [0,0,1,1,0,0|1,0,0]=3 1417 B18R1.1160 COC(=O)CCCCCCCCNC1CCCC1 2230a_100000211070_100010282707 [0,0,1,1,0,0|1,0,1]=4 1418 B18R1.1160 COC(=O)CCCCCCCCNC1CCCC1 34a_100000211070_100010282707 [0,0,1,1,0,0|1,0,1]=4 1419 B18R1.1160 COC(=O)CCCCCCCCOC1CCCC1 34a_100000035544_100000179811 [0,0,1,1,0,0|1,0,1]=4 1420 B18R1.1160 COC(=O)CCCCCCCCOC1CCCC1 34a_100000210269_100010282707 [0,0,1,1,0,0|1,0,1]=4 1421 B18R1.1160 COC(=O)CCCCCCCCOC1CCCC1 7a_100000035544_100000179811 [0,0,1,1,0,0|1,0,1]=4 1422 B18R1.1160 COC(=O)CCCCCCCCOC1CCCC1 7a_100000210269_100010282707 [0,0,1,1,0,0|1,0,1]=4 1423 B18R1.1160 COC(=O)CCCCCCCCSC1CCCC1 62a_100010282707_100000179811 [0,0,1,1,0,0|1,0,1]=4 1424 B18R1.1160 COC(=O)CCCCCCCCSC1CCCC1 62a_100011217020_100010282707 [0,0,1,1,0,0|1,0,1]=4 1425 B18R1.1160 COC(=O)CCCCCCCNCC1CCCC1 2230a_100000737975_100010004213 [0,0,1,1,0,0|1,0,1]=4 1426 B18R1.1160 COC(=O)CCCCCCCNCC1CCCC1 34a_100000737975_100010004213 [0,0,1,1,0,0|1,0,1]=4 1427 B18R1.1160 COC(=O)CCCCCCCOCC1CCCC1 34a_100000742336_100010004213 [0,0,1,1,0,0|1,0,1]=4 1428 B18R1.1160 COC(=O)CCCCCCCOCC1CCCC1 34a_100011022521_100000740388 [0,0,1,1,0,0|1,0,1]=4 1429 B18R1.1160 COC(=O)CCCCCCCOCC1CCCC1 7a_100000742336_100010004213 [0,0,1,1,0,0|1,0,1]=4 1430 B18R1.1160 COC(=O)CCCCCCCOCC1CCCC1 7a_100011022521_100000740388 [0,0,1,1,0,0|1,0,1]=4 1431 B18R1.1160 COC(=O)CCCCCCCSCC1CCCC1 62a_100000740388_100010004213 [0,0,1,1,0,0|1,0,1]=4 1432 B18R1.1160 COC(=O)CCCCCCCSCC1CCCC1 62a_100010004213_100000740388 [0,0,1,1,0,0|1,0,1]=4 1433 B18R1.1194 COC(=O)CCCCCCCN1CCCCC1C 2230a_100000211376_100010004213 [0,0,1,1,0,0|1,0,1]=4 1434 B18R1.1194 COC(=O)CCCCCCCN1CCCCC1C 269982a_100000211376_100010004213 [0,0,1,1,0,0|1,0,1]=4 1435 B18R1.1194 COC(=O)CCCCCCCN1CCCCC1C 34a_100000211376_100010004213 [0,0,1,1,0,0|1,0,1]=4 1436 B18R1.1224 COC(=O)CCCCCCCNC1CCCCC1 2230a_100000182618_100010004213 [0,0,1,1,0,0|1,0,1]=4 1437 B18R1.1224 COC(=O)CCCCCCCNC1CCCCC1 34a_100000182618_100010004213 [0,0,1,1,0,0|1,0,1]=4 1438 B18R1.1224 COC(=O)CCCCCCCOC1CCCCC1 34a_100000210231_100010004213 [0,0,1,1,0,0|1,0,1]=4 1439 B18R1.1224 COC(=O)CCCCCCCOC1CCCCC1 34a_100011022521_100000210327 [0,0,1,1,0,0|1,0,1]=4 1440 B18R1.1224 COC(=O)CCCCCCCOC1CCCCC1 7a_100000210231_100010004213 [0,0,1,1,0,0|1,0,1]=4 1441 B18R1.1224 COC(=O)CCCCCCCOC1CCCCC1 7a_100011022521_100000210327 [0,0,1,1,0,0|1,0,1]=4 1442 B18R1.1224 COC(=O)CCCCCCCSC1CCCCC1 62a_100000210327_100010004213 [0,0,1,1,0,0|1,0,1]=4 1443 B18R1.1224 COC(=O)CCCCCCCSC1CCCCC1 62a_100010004213_100000210327 [0,0,1,1,0,0|1,0,1]=4 1444 B18R1.7654 CCC1CCCN1CCCCCCCC(=O)OC 2230a_100000754278_100010004213 [0,0,1,1,0,0|1,0,1]=4 1445 B18R1.7654 CCC1CCCN1CCCCCCCC(=O)OC 269982a_100000754278_100010004213 [0,0,1,1,0,0|1,0,1]=4 1446 B18R1.7654 CCC1CCCN1CCCCCCCC(=O)OC 34a_100000754278_100010004213 [0,0,1,1,0,0|1,0,1]=4 1447 B18R1.33918 COC(=O)CCCCCCCCOCC1CC1C 34a_100000744939_100010282707 [0,0,1,1,0,0|1,0,1]=4 1448 B18R1.33918 COC(=O)CCCCCCCCOCC1CC1C 7a_100000744939_100010282707 [0,0,1,1,0,0|1,0,1]=4 1449 B18R1.33919 COC(=O)CCCCCCCCNCC1CCC1 2230a_100000738700_100010282707 [0,0,1,1,0,0|1,0,1]=4 1450 B18R1.33919 COC(=O)CCCCCCCCNCC1CCC1 34a_100000738700_100010282707 [0,0,1,1,0,0|1,0,1]=4 1451 B18R1.33919 COC(=O)CCCCCCCCOCC1CCC1 34a_100000035544_100000763275 [0,0,1,1,0,0|1,0,1]=4 1452 B18R1.33919 COC(=O)CCCCCCCCOCC1CCC1 34a_100000760304_100010282707 [0,0,1,1,0,0|1,0,1]=4 1453 B18R1.33919 COC(=O)CCCCCCCCOCC1CCC1 7a_100000035544_100000763275 [0,0,1,1,0,0|1,0,1]=4 1454 B18R1.33919 COC(=O)CCCCCCCCSCC1CCC1 62a_100000763275_100010282707 [0,0,1,1,0,0|1,0,1]=4 1455 B18R1.33919 COC(=O)CCCCCCCCSCC1CCC1 62a_100010282707_100000763275 [0,0,1,1,0,0|1,0,1]=4 1456 B18R1.34249 COC(=O)CCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100010282707 [0,0,1,1,0,0|1,0,1]=4 1457 B18R1.34249 COC(=O)CCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100010282707 [0,0,1,1,0,0|1,0,1]=4 1458 B18R1.34249 COC(=O)CCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100010282707 [0,0,1,1,0,0|1,0,1]=4 1459 B18R1.34249 COC(=O)CCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100010282707 [0,0,1,1,0,0|1,0,1]=4 1460 B18R1.34249 COC(=O)CCCCCCCCN1CCC[C@H]1C 34a_100015189458_100010282707 [0,0,1,1,0,0|1,0,1]=4 1461 B18R1.34249 COC(=O)CCCCCCCOC1CCCC1C 34a_100011216460_100010004213 [0,0,1,1,0,0|1,0,1]=4 1462 B18R1.34249 COC(=O)CCCCCCCOC1CCCC1C 7a_100011216460_100010004213 [0,0,1,1,0,0|1,0,1]=4 1463 B18R1.37213 COC(=O)CCCCCCCCNCCC1CC1 34a_100000764129_100010282707 [0,0,1,1,0,0|1,0,1]=4 1464 B18R1.37213 COC(=O)CCCCCCCCOCCC1CC1 34a_100000035544_100000694398 [0,0,1,1,0,0|1,0,1]=4 1465 B18R1.37213 COC(=O)CCCCCCCCOCCC1CC1 34a_100000754188_100010282707 [0,0,1,1,0,0|1,0,1]=4 1466 B18R1.37213 COC(=O)CCCCCCCCOCCC1CC1 7a_100000035544_100000764125 [0,0,1,1,0,0|1,0,1]=4 1467 B18R1.37213 COC(=O)CCCCCCCCOCCC1CC1 7a_100000754188_100010282707 [0,0,1,1,0,0|1,0,1]=4 1468 B18R1.37213 COC(=O)CCCCCCCCSCCC1CC1 62a_100000764125_100010282707 [0,0,1,1,0,0|1,0,1]=4 1469 B18R1.37213 COC(=O)CCCCCCCCSCCC1CC1 62a_100010282707_100000764125 [0,0,1,1,0,0|1,0,1]=4 1470 B18R1.37281 COC(=O)CCCCCOC1C=CCCCCC1 34a_100000688657_100009816466 [0,0,1,1,0,0|1,0,0]=3 1471 B18R1.37399 COC(=O)CCCCCCCN1CCCCCC1 2230a_100000185865_100010004213 [0,0,1,1,0,0|1,0,1]=4 1472 B18R1.37399 COC(=O)CCCCCCCN1CCCCCC1 269982a_100000185865_100010004213 [0,0,1,1,0,0|1,0,1]=4 1473 B18R1.37399 COC(=O)CCCCCCCN1CCCCCC1 34a_100000185865_100010004213 [0,0,1,1,0,0|1,0,1]=4 1474 B18R1.41682 CCCNC(=O)CCCSC1CC/C=C\CCC1 62a_100011194427_100021000466 [0,0,1,1,0,0|2,0,0]=4 1475 B18R1.41682 CCCNC(=O)CCCSC1CC/C=C\CCC1 62a_100021000466_100011194427 [0,0,1,1,0,0|2,0,0]=4 1476 B18R1.41682 CCCOC(=O)OCNCC1CC/C=C\CCC1 34a_100102730862_200000139673 [0,0,1,1,0,0|2,0,0]=4 1477 B18R1.848 CCOC(=O)CCCCNCCC1=CCCCC1 2230a_100000212019_100000750268 [0,0,1,1,0,0|1,0,0]=3 1478 B18R1.848 CCOC(=O)CCCCNCCC1=CCCCC1 34a_100000212019_100000750268 [0,0,1,1,0,0|1,0,0]=3 1479 B18R1.848 CCOC(=O)COCCNCCC1=CCCCC1 2230a_100000212019_100000088970 [0,0,1,1,0,0|2,0,0]=4 1480 B18R1.848 CCOC(=O)COCCNCCC1=CCCCC1 34a_100000212019_100000088970 [0,0,1,1,0,0|2,0,0]=4 1481 B18R1.1445 CCOC(=O)CCCCCCCCN1CCCC1 2230a_100000188435_100010175975 [0,0,1,1,0,0|1,0,1]=4 1482 B18R1.1445 CCOC(=O)CCCCCCCCN1CCCC1 269982a_100000188435_100010175975 [0,0,1,1,0,0|1,0,1]=4 1483 B18R1.1445 CCOC(=O)CCCCCCCNC1CCCC1 2230a_100000211070_100009991516 [0,0,1,1,0,0|1,0,1]=4 1484 B18R1.1445 CCOC(=O)CCCCCCCNC1CCCC1 34a_100000211070_100009991516 [0,0,1,1,0,0|1,0,1]=4 1485 B18R1.1445 CCOC(=O)CCCCCCCOC1CCCC1 34a_100000210269_100009991516 [0,0,1,1,0,0|1,0,1]=4 1486 B18R1.1445 CCOC(=O)CCCCCCCOC1CCCC1 7a_100000210269_100009991516 [0,0,1,1,0,0|1,0,1]=4 1487 B18R1.1445 CCOC(=O)CCCCCCCSC1CCCC1 62a_100011217020_100009991516 [0,0,1,1,0,0|1,0,1]=4 1488 B18R1.7057 CCCNN=C1CCCCCCC1C(=O)OCC 4a_100000740057_100000033934 [0,0,1,1,0,0|2,0,0]=4 1489 B18R1.29249 CCOC(=O)CCCCCCCOCC1CC1C 34a_100000744939_100009991516 [0,0,1,1,0,0|1,0,1]=4 1490 B18R1.29249 CCOC(=O)CCCCCCCOCC1CC1C 7a_100000744939_100009991516 [0,0,1,1,0,0|1,0,1]=4 1491 B18R1.29250 CCOC(=O)CCCCCCCCNC1CCC1 2230a_100000749019_100010175975 [0,0,1,1,0,0|1,0,1]=4 1492 B18R1.29250 CCOC(=O)CCCCCCCCNC1CCC1 34a_100000749019_100010175975 [0,0,1,1,0,0|1,0,1]=4 1493 B18R1.29250 CCOC(=O)CCCCCCCCOC1CCC1 34a_100000748187_100010175975 [0,0,1,1,0,0|1,0,1]=4 1494 B18R1.29250 CCOC(=O)CCCCCCCNCC1CCC1 2230a_100000738700_100009991516 [0,0,1,1,0,0|1,0,1]=4 1495 B18R1.29250 CCOC(=O)CCCCCCCNCC1CCC1 34a_100000738700_100009991516 [0,0,1,1,0,0|1,0,1]=4 1496 B18R1.29250 CCOC(=O)CCCCCCCOCC1CCC1 34a_100000760304_100009991516 [0,0,1,1,0,0|1,0,1]=4 1497 B18R1.29250 CCOC(=O)CCCCCCCSCC1CCC1 62a_100000763275_100009991516 [0,0,1,1,0,0|1,0,1]=4 1498 B18R1.29583 CCOC(=O)CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009991516 [0,0,1,1,0,0|1,0,1]=4 1499 B18R1.29583 CCOC(=O)CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100009991516 [0,0,1,1,0,0|1,0,1]=4 1500 B18R1.29583 CCOC(=O)CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100009991516 [0,0,1,1,0,0|1,0,1]=4 1501 B18R1.29583 CCOC(=O)CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100009991516 [0,0,1,1,0,0|1,0,1]=4 1502 B18R1.29583 CCOC(=O)CCCCCCCN1CCC[C@H]1C 34a_100015189458_100009991516 [0,0,1,1,0,0|1,0,1]=4 1503 B18R1.29593 CCOC(=O)CCCCCCCCN1CCC1C 269982a_100000755817_100010175975 [0,0,1,1,0,0|1,0,1]=4 1504 B18R1.29593 CCOC(=O)CCCCCCCCN1CCC1C 34a_100000755817_100010175975 [0,0,1,1,0,0|1,0,1]=4 1505 B18R1.42824 CCOC(=O)CCCCCCCC=NNC1CC1 4a_100000701032_100102623289 [0,0,1,1,0,0|2,0,0]=4 1506 B18R1.42824 CCOC(=O)CCCCCCCCNCC1CC1 2230a_100000735609_100010175975 [0,0,1,1,0,0|1,0,1]=4 1507 B18R1.42824 CCOC(=O)CCCCCCCCNCC1CC1 34a_100000735609_100010175975 [0,0,1,1,0,0|1,0,1]=4 1508 B18R1.42824 CCOC(=O)CCCCCCCCOCC1CC1 34a_100000211283_100010175975 [0,0,1,1,0,0|1,0,1]=4 1509 B18R1.42824 CCOC(=O)CCCCCCCCSCC1CC1 62a_100000756562_100010175975 [0,0,1,1,0,0|1,0,1]=4 1510 B18R1.42824 CCOC(=O)CCCCCCCNCCC1CC1 34a_100000764129_100009991516 [0,0,1,1,0,0|1,0,1]=4 1511 B18R1.42824 CCOC(=O)CCCCCCCOCCC1CC1 34a_100000754188_100009991516 [0,0,1,1,0,0|1,0,1]=4 1512 B18R1.42824 CCOC(=O)CCCCCCCOCCC1CC1 7a_100000754188_100009991516 [0,0,1,1,0,0|1,0,1]=4 1513 B18R1.42824 CCOC(=O)CCCCCCCSCCC1CC1 62a_100000764125_100009991516 [0,0,1,1,0,0|1,0,1]=4 1514 B18R1.49730 CCCC/C=C/CCCCOCOC(=O)C1CC1 34a_200020645093_100000140896 [0,0,1,1,0,0|1,0,0]=3 1515 B18R1.1327 CC/C=C\CCCCCOCC(=O)N1CCCC1 34a_100016268722_100000183516 [0,0,1,1,0,0|2,0,0]=4 1516 B18R1.1327 CC/C=C\CCCCCOCC(=O)N1CCCC1 7a_100016268722_100000183516 [0,0,1,1,0,0|2,0,0]=4 1517 B18R1.1327 CC/C=C\CCCCOCCC(=O)N1CCCC1 34a_100016287862_100011194422 [0,0,1,1,0,0|2,0,0]=4 1518 B18R1.1327 CC/C=C\CCCCOCCC(=O)N1CCCC1 7a_100016287862_100011194422 [0,0,1,1,0,0|2,0,0]=4 1519 B18R1.3010 CCCCCC(=O)CNCC1CC/C=C\CCC1 2230a_100102730862_200012276598 [0,0,1,1,0,0|2,0,0]=4 1520 B18R1.3010 CCCCCC(=O)CNCC1CC/C=C\CCC1 34a_100102730862_200012276598 [0,0,1,1,0,0|2,0,0]=4 1521 B18R1.3010 CCCCNC(=O)CNCC1CC/C=C\CCC1 2230a_100102730862_100000182744 [0,0,1,1,0,0|2,0,0]=4 1522 B18R1.3010 CCCCNC(=O)CNCC1CC/C=C\CCC1 34a_100102730862_100000182744 [0,0,1,1,0,0|2,0,0]=4 1523 B18R1.3010 CCCCOC(=O)CNCC1CC/C=C\CCC1 2230a_100102730862_100000211628 [0,0,1,1,0,0|1,0,0]=3 1524 B18R1.3010 CCCCOC(=O)CNCC1CC/C=C\CCC1 34a_100102730862_100000211628 [0,0,1,1,0,0|1,0,0]=3 1525 B18R1.3010 COCCOC(=O)CNCC1CC/C=C\CCC1 2230a_100102730862_200000040189 [0,0,1,1,0,0|2,0,0]=4 1526 B18R1.3010 COCCOC(=O)CNCC1CC/C=C\CCC1 34a_100102730862_200000040189 [0,0,1,1,0,0|2,0,0]=4 1527 B18R1.346 C=CCCCCCCCC(=O)CCC1CCCO1 1458a_100011247709_100012355270 [0,0,1,1,0,0|2,0,0]=4 1528 B18R1.346 C=CCCCCCCCC(=O)CCN1CCCC1 1458a_100000738983_100012355270 [0,0,1,1,0,0|2,0,0]=4 1529 B18R1.346 C=CCCCCCCCC(=O)CCN1CCCC1 1458a_100011216160_100000004467 [0,0,1,1,0,0|2,0,0]=4 1530 B18R1.346 C=CCCCCCCCC(=O)COC1CCCC1 1458a_100000741352_100012355270 [0,0,1,1,0,0|2,0,0]=4 1531 B18R1.346 C=CCCCCCCCC(=O)NCC1CCCC1 11a_100000737975_100011216160 [0,0,1,1,0,0|1,0,0]=3 1532 B18R1.346 C=CCCCCCCCC(=O)NCC1CCCC1 1626a_100000737975_100011216160 [0,0,1,1,0,0|1,0,0]=3 1533 B18R1.346 C=CCCCCCCCC(=O)NCC1CCCC1 240690a_100000737975_100011216160 [0,0,1,1,0,0|1,0,0]=3 1534 B18R1.346 C=CCCCCCCCC(=O)NCC1CCCC1 527a_100000737975_100011216160 [0,0,1,1,0,0|1,0,0]=3 1535 B18R1.346 C=CCCCCCCCC(=O)NCC1CCOC1 11a_100000737293_100011216160 [0,0,1,1,0,0|2,0,0]=4 1536 B18R1.346 C=CCCCCCCCC(=O)NCC1CCOC1 1626a_100000737293_100011216160 [0,0,1,1,0,0|2,0,0]=4 1537 B18R1.346 C=CCCCCCCCC(=O)NCC1CCOC1 240690a_100000737293_100011216160 [0,0,1,1,0,0|2,0,0]=4 1538 B18R1.346 C=CCCCCCCCC(=O)NCC1CCOC1 527a_100000737293_100011216160 [0,0,1,1,0,0|2,0,0]=4 1539 B18R1.346 C=CCCCCCCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100011216160 [0,0,1,1,0,0|2,0,0]=4 1540 B18R1.346 C=CCCCCCCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100011216160 [0,0,1,1,0,0|2,0,0]=4 1541 B18R1.346 C=CCCCCCCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100011216160 [0,0,1,1,0,0|2,0,0]=4 1542 B18R1.346 C=CCCCCCCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100011216160 [0,0,1,1,0,0|2,0,0]=4 1543 B18R1.346 C=CCCCCCCCC(=O)NNC1CCCC1 22a_100000737850_100011216160 [0,0,1,1,0,0|2,0,0]=4 1544 B18R1.1311 C=CCCCCCCCC(=O)CC1CCCCO1 1458a_100000238585_100012355270 [0,0,1,1,0,0|2,0,0]=4 1545 B18R1.1311 C=CCCCCCCCC(=O)CC1CCCCO1 1458a_100011216160_100000211543 [0,0,1,1,0,0|2,0,0]=4 1546 B18R1.1311 C=CCCCCCCCC(=O)CC1CCCOC1 1458a_100000741523_100012355270 [0,0,1,1,0,0|2,0,0]=4 1547 B18R1.1311 C=CCCCCCCCC(=O)CC1CCCOC1 1458a_100011216160_100000741521 [0,0,1,1,0,0|2,0,0]=4 1548 B18R1.1311 C=CCCCCCCCC(=O)CC1CCOCC1 1458a_100000757261_100012355270 [0,0,1,1,0,0|2,0,0]=4 1549 B18R1.1311 C=CCCCCCCCC(=O)CC1CCOCC1 1458a_100011216160_100000754603 [0,0,1,1,0,0|2,0,0]=4 1550 B18R1.1311 C=CCCCCCCCC(=O)CN1CCCCC1 1458a_100000740322_100012355270 [0,0,1,1,0,0|2,0,0]=4 1551 B18R1.1311 C=CCCCCCCCC(=O)NC1CCCCC1 11a_100000182618_100011216160 [0,0,1,1,0,0|1,0,0]=3 1552 B18R1.1311 C=CCCCCCCCC(=O)NC1CCCCC1 1626a_100000182618_100011216160 [0,0,1,1,0,0|1,0,0]=3 1553 B18R1.1311 C=CCCCCCCCC(=O)NC1CCCCC1 240690a_100000182618_100011216160 [0,0,1,1,0,0|1,0,0]=3 1554 B18R1.1311 C=CCCCCCCCC(=O)NC1CCCCC1 527a_100000182618_100011216160 [0,0,1,1,0,0|1,0,0]=3 1555 B18R1.1311 C=CCCCCCCCC(=O)NC1CCCOC1 11a_100000719290_100011216160 [0,0,1,1,0,0|2,0,0]=4 1556 B18R1.1311 C=CCCCCCCCC(=O)NC1CCCOC1 1626a_100000719290_100011216160 [0,0,1,1,0,0|2,0,0]=4 1557 B18R1.1311 C=CCCCCCCCC(=O)NC1CCCOC1 240690a_100000719290_100011216160 [0,0,1,1,0,0|2,0,0]=4 1558 B18R1.1311 C=CCCCCCCCC(=O)NC1CCCOC1 527a_100000719290_100011216160 [0,0,1,1,0,0|2,0,0]=4 1559 B18R1.1311 C=CCCCCCCCC(=O)NC1CCOCC1 11a_100000741149_100011216160 [0,0,1,1,0,0|2,0,0]=4 1560 B18R1.1311 C=CCCCCCCCC(=O)NC1CCOCC1 1626a_100000741149_100011216160 [0,0,1,1,0,0|2,0,0]=4 1561 B18R1.1311 C=CCCCCCCCC(=O)NC1CCOCC1 240690a_100000741149_100011216160 [0,0,1,1,0,0|2,0,0]=4 1562 B18R1.1311 C=CCCCCCCCC(=O)NC1CCOCC1 527a_100000741149_100011216160 [0,0,1,1,0,0|2,0,0]=4 1563 B18R1.1311 C=CCCCCCCCC(=O)NC1CCSCC1 11a_100000748639_100011216160 [0,0,1,1,0,0|2,0,0]=4 1564 B18R1.1311 C=CCCCCCCCC(=O)NC1CCSCC1 1626a_100000748639_100011216160 [0,0,1,1,0,0|2,0,0]=4 1565 B18R1.1311 C=CCCCCCCCC(=O)NC1CCSCC1 240690a_100000748639_100011216160 [0,0,1,1,0,0|2,0,0]=4 1566 B18R1.1311 C=CCCCCCCCC(=O)NC1CCSCC1 527a_100000748639_100011216160 [0,0,1,1,0,0|2,0,0]=4 1567 B18R1.1311 C=CCCCCCNCC(=O)NC1CCCCC1 2230a_100015207117_100000700193 [0,0,1,1,0,0|2,0,0]=4 1568 B18R1.1311 C=CCCCCCOCC(=O)NC1CCCCC1 34a_100011216702_100000183541 [0,0,1,1,0,0|2,0,0]=4 1569 B18R1.1311 C=CCCCCCOCC(=O)NC1CCCCC1 7a_100011216702_100000183541 [0,0,1,1,0,0|2,0,0]=4 1570 B18R1.1311 C=CCCCCCOCC(=O)OC1CCCCC1 34a_100011216702_100000041653 [0,0,1,1,0,0|1,0,0]=3 1571 B18R1.1311 C=CCCCCCOCC(=O)OC1CCCCC1 7a_100011216702_100000041653 [0,0,1,1,0,0|1,0,0]=3 1572 B18R1.1311 C=CCCCCCSCC(=O)NC1CCCCC1 62a_100000183541_100000700193 [0,0,1,1,0,0|2,0,0]=4 1573 B18R1.1311 C=CCCCCCSCC(=O)NC1CCCCC1 62a_100000700193_100000183541 [0,0,1,1,0,0|2,0,0]=4 1574 B18R1.1311 C=CCCCCCSCC(=O)OC1CCCCC1 62a_100000041653_100000700193 [0,0,1,1,0,0|1,0,0]=3 1575 B18R1.1311 C=CCCCCCSCC(=O)OC1CCCCC1 62a_100000700193_100000041653 [0,0,1,1,0,0|1,0,0]=3 1576 B18R1.1311 C=CCCCCNCCC(=O)NC1CCCCC1 2230a_100000703577_100000188762 [0,0,1,1,0,0|2,0,0]=4 1577 B18R1.1311 C=CCCCCNCCC(=O)NC1CCCCC1 2230a_100000743080_100011215482 [0,0,1,1,0,0|2,0,0]=4 1578 B18R1.1311 C=CCCCCNCCC(=O)NC1CCCCC1 34a_100000743080_100011215482 [0,0,1,1,0,0|2,0,0]=4 1579 B18R1.1311 C=CCCCCOCCC(=O)NC1CCCCC1 7a_100000766645_100000188762 [0,0,1,1,0,0|2,0,0]=4 1580 B18R1.1311 C=CCCCCSCCC(=O)NC1CCCCC1 62a_100000188762_100011215482 [0,0,1,1,0,0|2,0,0]=4 1581 B18R1.1311 C=CCCCCSCCC(=O)NC1CCCCC1 62a_100011215482_100000188762 [0,0,1,1,0,0|2,0,0]=4 1582 B18R1.1311 C=COCCCCOCC(=O)OC1CCCCC1 34a_100000031558_100000041653 [0,0,1,1,0,0|2,0,0]=4 1583 B18R1.1311 C=COCCCCOCC(=O)OC1CCCCC1 7a_100000031558_100000041653 [0,0,1,1,0,0|2,0,0]=4 1584 B18R1.1311 O=CCCCCCSCC(=O)OC1CCCCC1 62a_100000041653_100000139337 [0,0,1,1,0,0|2,0,0]=4 1585 B18R1.1311 O=CCCCCCSCC(=O)OC1CCCCC1 62a_100000139337_100000041653 [0,0,1,1,0,0|2,0,0]=4 1586 B18R1.5357 CCCCCCCC(=O)OCOC1C=CCCC1 34a_100011215024_100009852258 [0,0,1,1,0,0|1,0,0]=3 1587 B18R1.5357 CCCCCCCC(=O)OCSC1C=CCCC1 62a_100000751183_100009852258 [0,0,1,1,0,0|1,0,0]=3 1588 B18R1.13426 C=CCCCCCCCC(=O)NCCN1CCC1 240690a_100000691440_100011216160 [0,0,1,1,0,0|2,0,0]=4 1589 B18R1.13426 C=CCCCCCCCC(=O)NNCC1CCC1 22a_200020586977_100011216160 [0,0,1,1,0,0|2,0,0]=4 1590 B18R1.23582 CCCCCCCC(=O)OCOC1CCCC1=O 34a_200000719330_100009852258 [0,0,1,1,0,0|2,0,0]=4 1591 B18R1.23582 CCCCCCCC(=O)OCSC1CCCC1=O 62a_100000211823_100009852258 [0,0,1,1,0,0|2,0,0]=4 1592 B18R1.24263 C=CCCCCCCCC(=O)C1CCCCC1O 1458a_100011803323_100012355270 [0,0,1,1,0,0|2,0,0]=4 1593 B18R1.24263 C=CCCCCCCCC(=O)N1CCCCC1C 11a_100000211376_100011216160 [0,0,1,1,0,0|1,0,0]=3 1594 B18R1.24263 C=CCCCCCCCC(=O)N1CCCCC1C 1626a_100000211376_100011216160 [0,0,1,1,0,0|1,0,0]=3 1595 B18R1.24263 C=CCCCCCCCC(=O)N1CCCCC1C 240690a_100000211376_100011216160 [0,0,1,1,0,0|1,0,0]=3 1596 B18R1.24263 C=CCCCCCCCC(=O)N1CCCCC1C 527a_100000211376_100011216160 [0,0,1,1,0,0|1,0,0]=3 1597 B18R1.24263 C=CCCCCCCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100011216160 [0,0,1,1,0,0|2,0,0]=4 1598 B18R1.24263 C=CCCCCCCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100011216160 [0,0,1,1,0,0|2,0,0]=4 1599 B18R1.24263 C=CCCCCCCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100011216160 [0,0,1,1,0,0|2,0,0]=4 1600 B18R1.24263 C=CCCCCCCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100012355270 [0,0,1,1,0,0|2,0,0]=4 1601 B18R1.24263 C=CCCCCCOCC(=O)N1CCCCC1C 34a_100011216702_100000182743 [0,0,1,1,0,0|2,0,0]=4 1602 B18R1.24263 C=CCCCCCOCC(=O)N1CCCCC1C 7a_100011216702_100000182743 [0,0,1,1,0,0|2,0,0]=4 1603 B18R1.24263 C=CCCCCCSCC(=O)N1CCCCC1C 62a_100000182743_100000700193 [0,0,1,1,0,0|2,0,0]=4 1604 B18R1.24263 C=CCCCCCSCC(=O)N1CCCCC1C 62a_100000700193_100000182743 [0,0,1,1,0,0|2,0,0]=4 1605 B18R1.24263 C=CCCCCNCCC(=O)N1CCCCC1C 34a_100025749213_100011215482 [0,0,1,1,0,0|2,0,0]=4 1606 B18R1.24269 C=CCCCCCCCC(=O)N1CCC1COC 11a_100015195929_100011216160 [0,0,1,1,0,0|2,0,0]=4 1607 B18R1.24269 C=CCCCCCCCC(=O)N1CCC1COC 1626a_100015195929_100011216160 [0,0,1,1,0,0|2,0,0]=4 1608 B18R1.24269 C=CCCCCCCCC(=O)N1CCC1COC 240690a_100015195929_100011216160 [0,0,1,1,0,0|2,0,0]=4 1609 B18R1.24269 C=CCCCCCCCC(=O)N1CCC1COC 527a_100015195929_100011216160 [0,0,1,1,0,0|2,0,0]=4 1610 B18R1.24270 C=CCCCCCCCC(=O)C1CCCN1CC 1458a_106256033941_100012355270 [0,0,1,1,0,0|2,0,0]=4 1611 B18R1.24270 C=CCCCCCCCC(=O)N1CCCC1CC 11a_100000754278_100011216160 [0,0,1,1,0,0|1,0,0]=3 1612 B18R1.24270 C=CCCCCCCCC(=O)N1CCCC1CC 1626a_100000754278_100011216160 [0,0,1,1,0,0|1,0,0]=3 1613 B18R1.24270 C=CCCCCCCCC(=O)N1CCCC1CC 240690a_100000754278_100011216160 [0,0,1,1,0,0|1,0,0]=3 1614 B18R1.24270 C=CCCCCCCCC(=O)N1CCCC1CC 527a_100000754278_100011216160 [0,0,1,1,0,0|1,0,0]=3 1615 B18R1.24270 C=CCCCCCCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100011216160 [0,0,1,1,0,0|2,0,0]=4 1616 B18R1.24270 C=CCCCCCCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100011216160 [0,0,1,1,0,0|2,0,0]=4 1617 B18R1.24272 C=CCCCCCCCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100011216160 [0,0,1,1,0,0|2,0,0]=4 1618 B18R1.24272 C=CCCCCCCCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100011216160 [0,0,1,1,0,0|2,0,0]=4 1619 B18R1.195344 C=CCCCCCCCC(=O)N1CCCCCC1 11a_100000185865_100011216160 [0,0,1,1,0,0|1,0,0]=3 1620 B18R1.195344 C=CCCCCCCCC(=O)N1CCCCCC1 1626a_100000185865_100011216160 [0,0,1,1,0,0|1,0,0]=3 1621 B18R1.195344 C=CCCCCCCCC(=O)N1CCCCCC1 240690a_100000185865_100011216160 [0,0,1,1,0,0|1,0,0]=3 1622 B18R1.195344 C=CCCCCCCCC(=O)N1CCCCCC1 527a_100000185865_100011216160 [0,0,1,1,0,0|1,0,0]=3 1623 B18R1.195344 C=CCCCCCCCC(=O)N1CCCOCC1 11a_100000685342_100011216160 [0,0,1,1,0,0|2,0,0]=4 1624 B18R1.195344 C=CCCCCCCCC(=O)N1CCCOCC1 1626a_100000685342_100011216160 [0,0,1,1,0,0|2,0,0]=4 1625 B18R1.195344 C=CCCCCCCCC(=O)N1CCCOCC1 240690a_100000685342_100011216160 [0,0,1,1,0,0|2,0,0]=4 1626 B18R1.195344 C=CCCCCCCCC(=O)N1CCCOCC1 527a_100000685342_100011216160 [0,0,1,1,0,0|2,0,0]=4 1627 B18R1.195344 C=CCCCCCOCC(=O)N1CCCCCC1 34a_100011216702_100000182869 [0,0,1,1,0,0|2,0,0]=4 1628 B18R1.195344 C=CCCCCCOCC(=O)N1CCCCCC1 7a_100011216702_100000182869 [0,0,1,1,0,0|2,0,0]=4 1629 B18R1.195344 C=CCCCCCSCC(=O)N1CCCCCC1 62a_100000182869_100000700193 [0,0,1,1,0,0|2,0,0]=4 1630 B18R1.195344 C=CCCCCCSCC(=O)N1CCCCCC1 62a_100000700193_100000182869 [0,0,1,1,0,0|2,0,0]=4