0 B17R0.14245 C=C(Br)C(=O)NCCCCCCCCCCCC 11a_100000210451_100009813364 [0,0,0,0,0,0|2,0,2]=4 1 B17R0.14245 C=C(Br)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100009813364 [0,0,0,0,0,0|2,0,2]=4 2 B17R0.14245 C=C(C)C(=O)CCCCCCCCCCCCO 1458a_100000185857_100009813331 [0,0,0,0,0,0|3,0,1]=4 3 B17R0.14245 C=C(C)C(=O)NCCCCCCCCCCCC 11a_100000210451_100000185857 [0,0,0,0,0,0|2,0,1]=3 4 B17R0.14245 C=C(C)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100000185857 [0,0,0,0,0,0|2,0,1]=3 5 B17R0.14245 C=C(C)C(=O)NCCCNCCCCCCCC 2230a_100016987756_100000210759 [0,0,0,0,0,0|3,0,1]=4 6 B17R0.14245 C=C(C)C(=O)NCCNCCCCCCCCC 2230a_100102636416_100011214924 [0,0,0,0,0,0|3,0,1]=4 7 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCCCC 2230a_100000209983_200010402237 [0,0,0,0,0,0|2,0,1]=3 8 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCCCO 2230a_100000750430_200010402237 [0,0,0,0,0,0|3,0,1]=4 9 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCCCO 34a_100000750430_200010402237 [0,0,0,0,0,0|3,0,1]=4 10 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCCOC 34a_100150723488_200010402237 [0,0,0,0,0,0|3,0,1]=4 11 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCCSC 2230a_100000749238_200010402237 [0,0,0,0,0,0|3,0,1]=4 12 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCOCC 2230a_102516460346_200010402237 [0,0,0,0,0,0|3,0,1]=4 13 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCOCC 34a_102516460346_200010402237 [0,0,0,0,0,0|3,0,1]=4 14 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCSCC 2230a_100000106463_200010402237 [0,0,0,0,0,0|3,0,1]=4 15 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCBr 34a_100011216708_200010402237 [0,0,0,0,0,0|3,0,1]=4 16 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCC 34a_100000210253_200010402237 [0,0,0,0,0,0|2,0,1]=3 17 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCC 7a_100000210253_200010402237 [0,0,0,0,0,0|2,0,1]=3 18 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCCl 34a_100000210776_200010402237 [0,0,0,0,0,0|3,0,1]=4 19 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCCl 7a_100000210776_200010402237 [0,0,0,0,0,0|3,0,1]=4 20 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCF 34a_100011995726_200010402237 [0,0,0,0,0,0|3,0,1]=4 21 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCF 7a_100011995726_200010402237 [0,0,0,0,0,0|3,0,1]=4 22 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCI 34a_200012148704_200010402237 [0,0,0,0,0,0|3,0,1]=4 23 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCN 34a_100000750430_200010402237 [0,0,0,0,0,0|3,0,1]=4 24 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCNC 34a_100000213112_200010402237 [0,0,0,0,0,0|3,0,1]=4 25 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCOC 34a_100000740835_200010402237 [0,0,0,0,0,0|3,0,1]=4 26 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCSC 34a_100000690336_200010402237 [0,0,0,0,0,0|3,0,1]=4 27 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCSC 7a_100000690336_200010402237 [0,0,0,0,0,0|3,0,1]=4 28 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCOCC 34a_100000210136_200010402237 [0,0,0,0,0,0|3,0,1]=4 29 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCOCC 7a_100000210136_200010402237 [0,0,0,0,0,0|3,0,1]=4 30 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCSCC 34a_100000212035_200010402237 [0,0,0,0,0,0|3,0,1]=4 31 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCSCC 7a_100000212035_200010402237 [0,0,0,0,0,0|3,0,1]=4 32 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCC 62a_100000210326_200010402237 [0,0,0,0,0,0|2,0,1]=3 33 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCC 62a_200010402237_100000210326 [0,0,0,0,0,0|2,0,1]=3 34 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCF 62a_100000729493_200010402237 [0,0,0,0,0,0|3,0,1]=4 35 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCF 62a_200010402237_100000729493 [0,0,0,0,0,0|3,0,1]=4 36 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCO 62a_100000210776_200010402237 [0,0,0,0,0,0|3,0,1]=4 37 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCO 62a_200010402237_100000210776 [0,0,0,0,0,0|3,0,1]=4 38 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCOC 62a_100000709357_200010402237 [0,0,0,0,0,0|3,0,1]=4 39 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCOC 62a_200010402237_100000709357 [0,0,0,0,0,0|3,0,1]=4 40 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCOCC 62a_100000210147_200010402237 [0,0,0,0,0,0|3,0,1]=4 41 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCOCC 62a_200010402237_100011215890 [0,0,0,0,0,0|3,0,1]=4 42 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCSCC 62a_100000757381_200010402237 [0,0,0,0,0,0|3,0,1]=4 43 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCSCC 62a_200010402237_100000757381 [0,0,0,0,0,0|3,0,1]=4 44 B17R0.14245 C=C(C)C(=O)OCCCCOCCCCCCC 7a_100000065474_100000210614 [0,0,0,0,0,0|2,0,1]=3 45 B17R0.14245 C=C(C)C(=O)OCCCCOCCCCCCF 7a_100000065474_100015922095 [0,0,0,0,0,0|3,0,1]=4 46 B17R0.14245 C=C(C)C(=O)OCCCCOCCCCCCO 7a_100000065474_100000766143 [0,0,0,0,0,0|3,0,1]=4 47 B17R0.14245 C=C(C)C(=O)OCCCCOCCOCCCC 7a_100000065474_100000743108 [0,0,0,0,0,0|3,0,1]=4 48 B17R0.14245 C=C(C)C(=O)OCCCOCCCCCCCC 7a_100000032641_100000210759 [0,0,0,0,0,0|2,0,1]=3 49 B17R0.14245 C=C(C)C(=O)OCCCOCCCCCCCO 7a_100000032641_100000760002 [0,0,0,0,0,0|3,0,1]=4 50 B17R0.14245 C=C(C)C(=O)OCCCOCCCCCCOC 7a_100000032641_100011998445 [0,0,0,0,0,0|3,0,1]=4 51 B17R0.14245 C=C(C)C(=O)OCCNCCCCCCCCC 2230a_100000212291_100009816335 [0,0,0,0,0,0|2,0,1]=3 52 B17R0.14245 C=C(C)C(=O)OCCNCCCCCCCCC 34a_100000212291_100009816335 [0,0,0,0,0,0|2,0,1]=3 53 B17R0.14245 C=C(C)C(=O)OCCNCCCCCCCCO 2230a_102515433106_100009816335 [0,0,0,0,0,0|3,0,1]=4 54 B17R0.14245 C=C(C)C(=O)OCCNCCCCCCCCO 34a_102515433106_100009816335 [0,0,0,0,0,0|3,0,1]=4 55 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCBr 34a_100009813846_100009816335 [0,0,0,0,0,0|3,0,1]=4 56 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCBr 7a_100009813846_100009816335 [0,0,0,0,0,0|3,0,1]=4 57 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCC 34a_100000210712_100009816335 [0,0,0,0,0,0|2,0,1]=3 58 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCC 7a_100000210712_100009816335 [0,0,0,0,0,0|2,0,1]=3 59 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCCl 34a_100000033203_100009816335 [0,0,0,0,0,0|3,0,1]=4 60 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCCl 7a_100000033203_100009816335 [0,0,0,0,0,0|3,0,1]=4 61 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCN 34a_102515433106_100009816335 [0,0,0,0,0,0|3,0,1]=4 62 B17R0.14245 C=C(C)C(=O)OCCOCCCCNCCCC 34a_200011216965_100009816335 [0,0,0,0,0,0|3,0,1]=4 63 B17R0.14245 C=C(C)C(=O)OCCOCCCCOCCCC 34a_200000760531_100009816335 [0,0,0,0,0,0|3,0,1]=4 64 B17R0.14245 C=C(C)C(=O)OCCOCCCCOCCCC 7a_200000760531_100009816335 [0,0,0,0,0,0|3,0,1]=4 65 B17R0.14245 C=C(C)C(=O)OCCOCCOCCCCCC 34a_100000691444_100009816335 [0,0,0,0,0,0|3,0,1]=4 66 B17R0.14245 C=C(C)C(=O)OCCOCCOCCCCCC 7a_100000691444_100009816335 [0,0,0,0,0,0|3,0,1]=4 67 B17R0.14245 C=C(C)C(=O)OCCSCCCCCCCCC 62a_100009816335_100000210670 [0,0,0,0,0,0|2,0,1]=3 68 B17R0.14245 C=C(C)C(=O)OCCSCCCCCCCCO 62a_100000033203_100009816335 [0,0,0,0,0,0|3,0,1]=4 69 B17R0.14245 C=C(C)C(=O)OCCSCCCCCCCCO 62a_100009816335_100000033203 [0,0,0,0,0,0|3,0,1]=4 70 B17R0.14245 C=C(Cl)C(=O)NCCCCCCCCCCCC 11a_100000210451_100000039160 [0,0,0,0,0,0|2,0,2]=4 71 B17R0.14245 C=C(Cl)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100000039160 [0,0,0,0,0,0|2,0,2]=4 72 B17R0.14245 C=C(F)C(=O)NCCCCCCCCCCCC 11a_100000210451_100000036797 [0,0,0,0,0,0|2,0,2]=4 73 B17R0.14245 C=C(F)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100000036797 [0,0,0,0,0,0|2,0,2]=4 74 B17R0.14245 C=CCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_102130925996 [0,0,0,0,0,0|2,0,2]=4 75 B17R0.14245 C=CCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_102130925996 [0,0,0,0,0,0|1,0,2]=3 76 B17R0.14245 C=CCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_102130925996 [0,0,0,0,0,0|1,0,2]=3 77 B17R0.14245 C=CCCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100011933949 [0,0,0,0,0,0|2,0,2]=4 78 B17R0.14245 C=CCCCCCCCCSCOC(=O)C(C)C 62a_100011933949_100000139345 [0,0,0,0,0,0|2,0,2]=4 79 B17R0.14245 CC(C)C(=O)CCCCCCCCCCCCO 1458a_100000210198_100009813331 [0,0,0,0,0,0|3,0,0]=3 80 B17R0.14245 CC(C)C(=O)CCCCCCOCCCCCO 1458a_100000210198_200132310570 [0,0,0,0,0,0|4,0,0]=4 81 B17R0.14245 CC(C)C(=O)CNCCCCCCCCCCO 2230a_100000066964_100000753385 [0,0,0,0,0,0|4,0,0]=4 82 B17R0.14245 CC(C)C(=O)CNCCCCCCCCCCO 34a_100000066964_100000753385 [0,0,0,0,0,0|4,0,0]=4 83 B17R0.14245 CC(C)C(=O)COCCCCCCCCCCBr 34a_100009813290_100000753385 [0,0,0,0,0,0|4,0,0]=4 84 B17R0.14245 CC(C)C(=O)COCCCCCCCCCCBr 7a_100009813290_100000753385 [0,0,0,0,0,0|4,0,0]=4 85 B17R0.14245 CC(C)C(=O)COCCCCCCCCCCCl 34a_200000033068_100000753385 [0,0,0,0,0,0|4,0,0]=4 86 B17R0.14245 CC(C)C(=O)COCCCCCCCCCCCl 7a_200000033068_100000753385 [0,0,0,0,0,0|4,0,0]=4 87 B17R0.14245 CC(C)C(=O)COCCCCCCCCCCN 34a_100000066964_100000753385 [0,0,0,0,0,0|4,0,0]=4 88 B17R0.14245 CC(C)C(=O)CSCCCCCCCCCCO 62a_100000753385_200000033068 [0,0,0,0,0,0|4,0,0]=4 89 B17R0.14245 CC(C)C(=O)CSCCCCCCCCCCO 62a_100009813290_100000753385 [0,0,0,0,0,0|4,0,0]=4 90 B17R0.14245 CC(C)C(=O)NCCNCCCCCCCCO 2230a_100000752568_100000033203 [0,0,0,0,0,0|4,0,0]=4 91 B17R0.14245 CC(C)C(=O)NCCNCCCCCCCCO 34a_100000752568_100000033203 [0,0,0,0,0,0|4,0,0]=4 92 B17R0.14245 CC(C)C(=O)OCSCCCCCCCCCO 62a_100000139345_100009813782 [0,0,0,0,0,0|3,0,0]=3 93 B17R0.14245 CC(C)C(=O)OCSCCCCCCCCCO 62a_100009813782_100000139345 [0,0,0,0,0,0|3,0,0]=3 94 B17R0.14245 CC(C)C(C)OCCCCCCCCCCCO 7a_100000748068_100009812471 [0,0,0,0,0,0|3,0,1]=4 95 B17R0.14245 CC(F)C(=O)CCCCCCCCCCCCO 1458a_100000062450_100009813331 [0,0,0,0,0,0|3,0,0]=3 96 B17R0.14245 CC(F)C(=O)CCCCCCOCCCCCO 1458a_100000062450_200132310570 [0,0,0,0,0,0|4,0,0]=4 97 B17R0.14245 CCC#CCCCCCCSCOC(=O)C(C)C 62a_100000139345_200000036426 [0,0,0,0,0,0|2,0,2]=4 98 B17R0.14245 CCC#CCCCCCCSCOC(=O)C(C)C 62a_200000036426_100000139345 [0,0,0,0,0,0|2,0,2]=4 99 B17R0.14245 CCCCCCCCCCC=NNC(=O)C(C)C 4a_100000184118_100011218819 [0,0,0,0,0,0|3,0,1]=4 100 B17R0.14245 CCCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210684 [0,0,0,0,0,0|2,0,0]=2 101 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000756256 [0,0,0,0,0,0|3,0,0]=3 102 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000756256 [0,0,0,0,0,0|3,0,0]=3 103 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000756256 [0,0,0,0,0,0|3,0,0]=3 104 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210684 [0,0,0,0,0,0|1,0,0]=1 105 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210684 [0,0,0,0,0,0|1,0,0]=1 106 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)N 240690a_100000210451_100011215815 [0,0,0,0,0,0|2,0,2]=4 107 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 11a_100000210451_100000210198 [0,0,0,0,0,0|2,0,0]=2 108 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 1626a_100000210451_100000210198 [0,0,0,0,0,0|2,0,0]=2 109 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 240690a_100000210451_100000210198 [0,0,0,0,0,0|2,0,0]=2 110 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 527a_100000210451_100000210198 [0,0,0,0,0,0|2,0,0]=2 111 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 11a_100000210451_100000062450 [0,0,0,0,0,0|2,0,0]=2 112 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 1626a_100000210451_100000062450 [0,0,0,0,0,0|2,0,0]=2 113 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 240690a_100000210451_100000062450 [0,0,0,0,0,0|2,0,0]=2 114 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 527a_100000210451_100000062450 [0,0,0,0,0,0|2,0,0]=2 115 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 11a_100000210451_100000210393 [0,0,0,0,0,0|3,0,0]=3 116 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 1626a_100000210451_100000210393 [0,0,0,0,0,0|3,0,0]=3 117 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 240690a_100000210451_100000210393 [0,0,0,0,0,0|3,0,0]=3 118 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 527a_100000210451_100000210393 [0,0,0,0,0,0|3,0,0]=3 119 B17R0.14245 CCCCCCCCCCCCNC(=O)C(O)O 240690a_100000210451_100000233687 [0,0,0,0,0,0|2,0,0]=2 120 B17R0.14245 CCCCCCCCCCCCNC(=O)N(C)C 2708a_100000210451_100102631434 [0,0,0,0,0,0|3,0,0]=3 121 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000210451_100000717761 [0,0,0,0,0,0|1,0,0]=1 122 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000210451_217856618621 [0,0,0,0,0,0|1,0,0]=1 123 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000210451_217856618621 [0,0,0,0,0,0|1,0,0]=1 124 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000759014 [0,0,0,0,0,0|1,0,3]=4 125 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 7a_100000210810_100000179758 [0,0,0,0,0,0|1,0,3]=4 126 B17R0.14245 CCCCCCCCCCCNCC(=O)C(=O)C 34a_200011215754_100011261029 [0,0,0,0,0,0|2,0,2]=4 127 B17R0.14245 CCCCCCCCCCCNCC(=O)C(C)C 2230a_200011215754_100000753385 [0,0,0,0,0,0|3,0,0]=3 128 B17R0.14245 CCCCCCCCCCCNCC(=O)C(C)C 34a_200011215754_100000753385 [0,0,0,0,0,0|3,0,0]=3 129 B17R0.14245 CCCCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011215454 [0,0,0,0,0,0|4,0,0]=4 130 B17R0.14245 CCCCCCCCCCCNCC(=O)N(C)C 2230a_200011215754_100000185267 [0,0,0,0,0,0|4,0,0]=4 131 B17R0.14245 CCCCCCCCCCCNCC(=O)N(C)C 34a_200011215754_100000692301 [0,0,0,0,0,0|4,0,0]=4 132 B17R0.14245 CCCCCCCCCCCOCC(=O)C(=O)C 34a_100000210809_100011261029 [0,0,0,0,0,0|2,0,2]=4 133 B17R0.14245 CCCCCCCCCCCOCC(=O)C(C)C 34a_100000210809_100000753385 [0,0,0,0,0,0|3,0,0]=3 134 B17R0.14245 CCCCCCCCCCCOCC(=O)C(C)C 7a_100000210809_100000753385 [0,0,0,0,0,0|3,0,0]=3 135 B17R0.14245 CCCCCCCCCCCOCC(=O)N(C)C 34a_100000210809_100000692301 [0,0,0,0,0,0|4,0,0]=4 136 B17R0.14245 CCCCCCCCCCCOCC(=O)N(C)C 7a_100000210809_100000692301 [0,0,0,0,0,0|4,0,0]=4 137 B17R0.14245 CCCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100011215454 [0,0,0,0,0,0|2,0,2]=4 138 B17R0.14245 CCCCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100011215454 [0,0,0,0,0,0|4,0,0]=4 139 B17R0.14245 CCCCCCCCCCNCCC(=O)N(C)C 2230a_100000684558_100000737620 [0,0,0,0,0,0|4,0,0]=4 140 B17R0.14245 CCCCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210320 [0,0,0,0,0,0|4,0,0]=4 141 B17R0.14245 CCCCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210320 [0,0,0,0,0,0|4,0,0]=4 142 B17R0.14245 CCCCCCCCCCOCCC(=O)N(C)C 7a_100000210711_100000737620 [0,0,0,0,0,0|4,0,0]=4 143 B17R0.14245 CCCCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210320 [0,0,0,0,0,0|4,0,0]=4 144 B17R0.14245 CCCCCCCCCNCCCC(=O)N(C)C 2230a_100000212291_100000737642 [0,0,0,0,0,0|4,0,0]=4 145 B17R0.14245 CCCCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100011214924 [0,0,0,0,0,0|4,0,0]=4 146 B17R0.14245 CCCCCCCCCNCCNC(=O)C(C)C 2230a_100000752568_100011214924 [0,0,0,0,0,0|3,0,0]=3 147 B17R0.14245 CCCCCCCCCNCCNC(=O)C(C)C 34a_100000752568_100011214924 [0,0,0,0,0,0|3,0,0]=3 148 B17R0.14245 CCCCCCCCCOCCCC(=O)N(C)C 7a_100000210712_100000737642 [0,0,0,0,0,0|4,0,0]=4 149 B17R0.14245 CCCCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210670 [0,0,0,0,0,0|4,0,0]=4 150 B17R0.14245 CCCCCCCCNCCCCC(=O)N(C)C 34a_100000229939_100000752486 [0,0,0,0,0,0|4,0,0]=4 151 B17R0.14245 CCCCCCCCOCCCCC(=O)N(C)C 34a_100000210232_100000752486 [0,0,0,0,0,0|4,0,0]=4 152 B17R0.14245 CCCCCCCCOCCCCC(=O)N(C)C 7a_100000210232_100000752486 [0,0,0,0,0,0|4,0,0]=4 153 B17R0.14245 CCCCCCCCSCCCCC(=O)N(C)C 62a_100000210759_100000752486 [0,0,0,0,0,0|4,0,0]=4 154 B17R0.14245 CCCCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210317 [0,0,0,0,0,0|4,0,0]=4 155 B17R0.14245 CN(C)C(=O)CCCCCCCCCCCCO 240690a_100102631434_100102582631 [0,0,0,0,0,0|4,0,0]=4 156 B17R0.14245 C[C@@H](O)C(=O)CCCCCCCCCCCCO 1458a_100000717761_100009813331 [0,0,0,0,0,0|2,0,0]=2 157 B17R0.14245 C[C@@H](O)C(=O)CCCCCCOCCCCCO 1458a_100000717761_200132310570 [0,0,0,0,0,0|3,0,0]=3 158 B17R0.14245 C[C@H](O)C(=O)CCCCCCCCCCCCO 1458a_217856618621_100009813331 [0,0,0,0,0,0|2,0,0]=2 159 B17R0.14245 C[C@H](O)C(=O)CCCCCCOCCCCCO 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CCCCCCCCCCOCCC(=O)NC 34a_100000210711_100012179268 [1,0,0,0,0,0|3,0,0]=4 239 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000754576_100000210320 [1,0,0,0,0,0|3,0,0]=4 240 B16R0.221 CCCCCCCCCCOCCC(=O)NC 7a_100000210711_100000737683 [1,0,0,0,0,0|3,0,0]=4 241 B16R0.221 CCCCCCCCCCOCCC(=O)OC 34a_100000210711_100000742370 [1,0,0,0,0,0|3,0,0]=4 242 B16R0.221 CCCCCCCCCCOCCC(=O)OC 7a_100000210711_100000204255 [1,0,0,0,0,0|3,0,0]=4 243 B16R0.221 CCCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210320 [1,0,0,0,0,0|3,0,0]=4 244 B16R0.221 CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210320 [1,0,0,0,0,0|3,0,0]=4 245 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000212291_100000741757 [1,0,0,0,0,0|3,0,0]=4 246 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011214924 [1,0,0,0,0,0|3,0,0]=4 247 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000212291_100000741757 [1,0,0,0,0,0|3,0,0]=4 248 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011214924 [1,0,0,0,0,0|3,0,0]=4 249 B16R0.221 CCCCCCCCCNCCCC(=O)OC 2230a_100000212291_100011218270 [1,0,0,0,0,0|3,0,0]=4 250 B16R0.221 CCCCCCCCCNCCCC(=O)OC 34a_100000212291_100000742333 [1,0,0,0,0,0|3,0,0]=4 251 B16R0.221 CCCCCCCCCNCCNC(=O)CC 34a_100132302217_100011214924 [1,0,0,0,0,0|2,0,0]=3 252 B16R0.221 CCCCCCCCCNCCNC(=O)NC 34a_100015205895_100011214924 [1,0,0,0,0,0|3,0,0]=4 253 B16R0.221 CCCCCCCCCNCCOC(=O)NC 34a_100000212291_200011997002 [1,0,0,0,0,0|2,0,0]=3 254 B16R0.221 CCCCCCCCCOCCCC(=O)NC 34a_100000210712_100000741757 [1,0,0,0,0,0|3,0,0]=4 255 B16R0.221 CCCCCCCCCOCCCC(=O)NC 7a_100000210712_100000741757 [1,0,0,0,0,0|3,0,0]=4 256 B16R0.221 CCCCCCCCCOCCCC(=O)OC 34a_100000210712_100000742333 [1,0,0,0,0,0|3,0,0]=4 257 B16R0.221 CCCCCCCCCOCCCC(=O)OC 7a_100000210712_100011218270 [1,0,0,0,0,0|3,0,0]=4 258 B16R0.221 CCCCCCCCCOCCNC(=O)CC 34a_200000158885_100011214924 [1,0,0,0,0,0|2,0,0]=3 259 B16R0.221 CCCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210328 [1,0,0,0,0,0|2,0,0]=3 260 B16R0.221 CCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011214924 [1,0,0,0,0,0|3,0,0]=4 261 B16R0.221 CCCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210328 [1,0,0,0,0,0|1,0,0]=2 262 B16R0.221 CCCCCCCCCOCCOC(=O)NC 34a_100000210712_200011997002 [1,0,0,0,0,0|2,0,0]=3 263 B16R0.221 CCCCCCCCCOCCOC(=O)NC 7a_100000210712_200011997002 [1,0,0,0,0,0|2,0,0]=3 264 B16R0.221 CCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011214924 [1,0,0,0,0,0|2,0,0]=3 265 B16R0.221 CCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210670 [1,0,0,0,0,0|3,0,0]=4 266 B16R0.221 CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210670 [1,0,0,0,0,0|3,0,0]=4 267 B16R0.221 CCCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210670 [1,0,0,0,0,0|2,0,0]=3 268 B16R0.221 CCCCCCCCNCCCCC(=O)OC 2230a_100000229939_100000204269 [1,0,0,0,0,0|3,0,0]=4 269 B16R0.221 CCCCCCCCNCCCCC(=O)OC 34a_100000229939_100000204269 [1,0,0,0,0,0|3,0,0]=4 270 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210759 [1,0,0,0,0,0|3,0,0]=4 271 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000210232_100000204269 [1,0,0,0,0,0|3,0,0]=4 272 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210759 [1,0,0,0,0,0|3,0,0]=4 273 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000210232_100000204269 [1,0,0,0,0,0|3,0,0]=4 274 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210317 [1,0,0,0,0,0|3,0,0]=4 275 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000210759_100000204269 [1,0,0,0,0,0|3,0,0]=4 276 B16R0.221 CCCCCCCNCCCCCC(=O)OC 2230a_100000229938_100009816466 [1,0,0,0,0,0|3,0,0]=4 277 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210614 [1,0,0,0,0,0|3,0,0]=4 278 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000210272_100009816466 [1,0,0,0,0,0|3,0,0]=4 279 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210614 [1,0,0,0,0,0|3,0,0]=4 280 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000210272_100009816466 [1,0,0,0,0,0|3,0,0]=4 281 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100000210614_100009816466 [1,0,0,0,0,0|3,0,0]=4 282 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210316 [1,0,0,0,0,0|3,0,0]=4 283 B16R0.221 CCCCCCNCCCCCCC(=O)OC 2230a_100000210581_100009815986 [1,0,0,0,0,0|3,0,0]=4 284 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100000210259_100009815986 [1,0,0,0,0,0|3,0,0]=4 285 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210314 [1,0,0,0,0,0|3,0,0]=4 286 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100000210259_100009815986 [1,0,0,0,0,0|3,0,0]=4 287 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210314 [1,0,0,0,0,0|3,0,0]=4 288 B16R0.221 CCCCCCOCCOCCOC(=O)NC 34a_100000691444_200011997002 [1,0,0,0,0,0|3,0,0]=4 289 B16R0.221 CCCCCCOCCOCCOC(=O)NC 7a_100000691444_200011997002 [1,0,0,0,0,0|3,0,0]=4 290 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100000210314_100009815986 [1,0,0,0,0,0|3,0,0]=4 291 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210757 [1,0,0,0,0,0|3,0,0]=4 292 B16R0.221 CCCCCNCCCCCCCC(=O)OC 2230a_100000209983_100010004213 [1,0,0,0,0,0|3,0,0]=4 293 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100000210253_100010004213 [1,0,0,0,0,0|3,0,0]=4 294 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000718602 [1,0,0,0,0,0|3,0,0]=4 295 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100000210253_100010004213 [1,0,0,0,0,0|3,0,0]=4 296 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210326 [1,0,0,0,0,0|3,0,0]=4 297 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100000210326_100010004213 [1,0,0,0,0,0|3,0,0]=4 298 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210326 [1,0,0,0,0,0|3,0,0]=4 299 B16R0.221 CCCCNCCCCCCCCC(=O)OC 2230a_100000102301_100010282707 [1,0,0,0,0,0|3,0,0]=4 300 B16R0.221 CCCCNCCCCCCCCC(=O)OC 7a_106832991798_100010282707 [1,0,0,0,0,0|3,0,0]=4 301 B16R0.221 CCCCNCCCCOCCOC(=O)NC 34a_200011216965_200011997002 [1,0,0,0,0,0|3,0,0]=4 302 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210210 [1,0,0,0,0,0|3,0,0]=4 303 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000210227_100010282707 [1,0,0,0,0,0|3,0,0]=4 304 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210211 [1,0,0,0,0,0|3,0,0]=4 305 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000210227_100010282707 [1,0,0,0,0,0|3,0,0]=4 306 B16R0.221 CCCCOCCCCOCCOC(=O)NC 34a_200000760531_200011997002 [1,0,0,0,0,0|3,0,0]=4 307 B16R0.221 CCCCOCCCCOCCOC(=O)NC 7a_200000760531_200011997002 [1,0,0,0,0,0|3,0,0]=4 308 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100000210211_100010282707 [1,0,0,0,0,0|3,0,0]=4 309 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210210 [1,0,0,0,0,0|3,0,0]=4 310 B16R0.221 CCCOCCCCCCCCCC(=O)OC 34a_100000210258_100009813843 [1,0,0,0,0,0|3,0,0]=4 311 B16R0.221 CCCSCCCCCCCCCC(=O)OC 62a_100000210303_100009813843 [1,0,0,0,0,0|3,0,0]=4 312 B16R0.221 CCNCCCCCCCCCCC(=O)OC 2230a_100015525214_100009812566 [1,0,0,0,0,0|3,0,0]=4 313 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210202 [1,0,0,0,0,0|3,0,0]=4 314 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100121572206_100009812566 [1,0,0,0,0,0|3,0,0]=4 315 B16R0.221 CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210202 [1,0,0,0,0,0|3,0,0]=4 316 B16R0.221 CCOCCCCCCCCCOC(C)CC 34a_100009875440_100011215416 [1,0,0,0,0,0|2,0,1]=4 317 B16R0.221 CCOCCCCCCCCCOC(C)CC 7a_100009875440_100000758301 [1,0,0,0,0,0|2,0,1]=4 318 B16R0.221 CCOCCCCCCCCCOC(C)CO 34a_100009875440_100012180447 [1,0,0,0,0,0|2,0,1]=4 319 B16R0.221 CCOCCCCCCCCCOC(C)CO 7a_100009875440_100012180447 [1,0,0,0,0,0|2,0,1]=4 320 B16R0.221 CCSCCCCCCCCCCC(=O)OC 62a_100000210202_100009812566 [1,0,0,0,0,0|3,0,0]=4 321 B16R0.221 CNC(=O)CCCCCCCCCCCCO 240690a_100102657272_100102582631 [1,0,0,0,0,0|3,0,0]=4 322 B16R0.221 CNC(=O)OCCNCCCCCCCCO 34a_102515433106_200011997002 [1,0,0,0,0,0|3,0,0]=4 323 B16R0.221 CNC(=O)OCCOCCCCCCCCBr 34a_100009813846_200011997002 [1,0,0,0,0,0|3,0,0]=4 324 B16R0.221 CNC(=O)OCCOCCCCCCCCBr 7a_100009813846_200011997002 [1,0,0,0,0,0|3,0,0]=4 325 B16R0.221 CNC(=O)OCCOCCCCCCCCCl 34a_100000033203_200011997002 [1,0,0,0,0,0|3,0,0]=4 326 B16R0.221 CNC(=O)OCCOCCCCCCCCCl 7a_100000033203_200011997002 [1,0,0,0,0,0|3,0,0]=4 327 B16R0.221 CNC(=O)OCCOCCCCCCCCN 34a_102515433106_200011997002 [1,0,0,0,0,0|3,0,0]=4 328 B16R0.221 CNC(=O)OCCSCCCCCCCCO 62a_100000033203_200011997002 [1,0,0,0,0,0|3,0,0]=4 329 B16R0.221 CNC(=O)OCCSCCCCCCCCO 62a_200011997002_100000033203 [1,0,0,0,0,0|3,0,0]=4 330 B16R0.221 CNCCCCCCCCCCCC(=O)OC 2230a_106832991635_100010983606 [1,0,0,0,0,0|3,0,0]=4 331 B16R0.221 CNCCCCCCCCCCCC(=O)OC 34a_100102657272_100010983606 [1,0,0,0,0,0|3,0,0]=4 332 B16R0.221 CNCCCCCCCCCCCC(=O)OC 7a_106832991635_100010983606 [1,0,0,0,0,0|3,0,0]=4 333 B16R0.221 COC(=O)CCCCCCCCCCCSC 62a_200000210301_100010983606 [1,0,0,0,0,0|3,0,0]=4 334 B16R0.221 COC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100010983606 [1,0,0,0,0,0|3,0,0]=4 335 B16R0.221 COC(=O)OCCOCCCCCCCCO 34a_100010262106_100000033203 [1,0,0,0,0,0|3,0,0]=4 336 B16R0.221 COC(=O)OCSCCCCCCCCCO 62a_100009813782_100000139417 [1,0,0,0,0,0|3,0,0]=4 337 B16R0.221 COCCCCCCCCCCCC(=O)OC 34a_100138415774_100010983606 [1,0,0,0,0,0|3,0,0]=4 338 B16R0.221 O=C(CO)CCCCCCCCCCCCO 1458a_100000210174_100009813331 [1,0,0,0,0,0|2,0,0]=3 339 B16R0.221 O=C(CO)CCCCCCOCCCCCO 1458a_100000210174_200132310570 [1,0,0,0,0,0|3,0,0]=4 340 B16R0.224 C=C(C)C(=O)CCCCCCCCCCCO 1458a_100000185857_100009812471 [1,0,0,0,0,0|2,0,1]=4 341 B16R0.224 C=C(C)C(=O)NCCCCCCCCCCC 11a_200011215754_100000185857 [1,0,0,0,0,0|2,0,1]=4 342 B16R0.224 C=C(C)C(=O)NCCCCCCCCCCC 1626a_200011215754_100000185857 [1,0,0,0,0,0|2,0,1]=4 343 B16R0.224 C=C(C)C(=O)OCCCCCCNCCCC 2230a_100000102301_200010402237 [1,0,0,0,0,0|2,0,1]=4 344 B16R0.224 C=C(C)C(=O)OCCCCCCNCCCC 7a_106832991798_200010402237 [1,0,0,0,0,0|2,0,1]=4 345 B16R0.224 C=C(C)C(=O)OCCCCCCOCCCC 34a_100000210227_200010402237 [1,0,0,0,0,0|2,0,1]=4 346 B16R0.224 C=C(C)C(=O)OCCCCCCOCCCC 7a_100000210227_200010402237 [1,0,0,0,0,0|2,0,1]=4 347 B16R0.224 C=C(C)C(=O)OCCCCCCSCCCC 62a_100000210211_200010402237 [1,0,0,0,0,0|2,0,1]=4 348 B16R0.224 C=C(C)C(=O)OCCCCCCSCCCC 62a_200010402237_100000210210 [1,0,0,0,0,0|2,0,1]=4 349 B16R0.224 C=C(C)C(=O)OCCCCOCCCCCC 7a_100000065474_100000210314 [1,0,0,0,0,0|2,0,1]=4 350 B16R0.224 C=C(C)C(=O)OCCCOCCCCCCC 7a_100000032641_100000210614 [1,0,0,0,0,0|2,0,1]=4 351 B16R0.224 C=C(C)C(=O)OCCNCCCCCCCC 2230a_100000229939_100009816335 [1,0,0,0,0,0|2,0,1]=4 352 B16R0.224 C=C(C)C(=O)OCCNCCCCCCCC 34a_100000229939_100009816335 [1,0,0,0,0,0|2,0,1]=4 353 B16R0.224 C=C(C)C(=O)OCCOCCCCCCCC 34a_100000210232_100009816335 [1,0,0,0,0,0|2,0,1]=4 354 B16R0.224 C=C(C)C(=O)OCCOCCCCCCCC 7a_100000210232_100009816335 [1,0,0,0,0,0|2,0,1]=4 355 B16R0.224 C=C(C)C(=O)OCCSCCCCCCCC 62a_100000210759_100009816335 [1,0,0,0,0,0|2,0,1]=4 356 B16R0.224 C=C(C)C(=O)OCCSCCCCCCCC 62a_100009816335_100000210317 [1,0,0,0,0,0|2,0,1]=4 357 B16R0.224 C=CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011093070 [1,0,0,0,0,0|1,0,2]=4 358 B16R0.224 C=CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011093070 [1,0,0,0,0,0|0,0,2]=3 359 B16R0.224 C=CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011093070 [1,0,0,0,0,0|0,0,2]=3 360 B16R0.224 C=CCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000081888_100000717761 [1,0,0,0,0,0|1,0,2]=4 361 B16R0.224 C=CCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000081888_217856618621 [1,0,0,0,0,0|1,0,2]=4 362 B16R0.224 C=CCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000081888_217856618621 [1,0,0,0,0,0|1,0,2]=4 363 B16R0.224 CC(C)C(=O)CCCCCCCCCCCO 1458a_100000210198_100009812471 [1,0,0,0,0,0|2,0,0]=3 364 B16R0.224 CC(C)C(=O)CNCCCCCCCCCO 2230a_100000078944_100000753385 [1,0,0,0,0,0|3,0,0]=4 365 B16R0.224 CC(C)C(=O)CNCCCCCCCCCO 34a_100000078944_100000753385 [1,0,0,0,0,0|3,0,0]=4 366 B16R0.224 CC(C)C(=O)COCCCCCCCCCBr 34a_100009813782_100000753385 [1,0,0,0,0,0|3,0,0]=4 367 B16R0.224 CC(C)C(=O)COCCCCCCCCCBr 7a_100009813782_100000753385 [1,0,0,0,0,0|3,0,0]=4 368 B16R0.224 CC(C)C(=O)COCCCCCCCCCCl 34a_100009868337_100000753385 [1,0,0,0,0,0|3,0,0]=4 369 B16R0.224 CC(C)C(=O)COCCCCCCCCCCl 7a_100009868337_100000753385 [1,0,0,0,0,0|3,0,0]=4 370 B16R0.224 CC(C)C(=O)COCCCCCCCCCN 34a_100000078944_100000753385 [1,0,0,0,0,0|3,0,0]=4 371 B16R0.224 CC(C)C(=O)CSCCCCCCCCCO 62a_100000753385_100009813782 [1,0,0,0,0,0|3,0,0]=4 372 B16R0.224 CC(C)C(=O)CSCCCCCCCCCO 62a_100009813782_100000753385 [1,0,0,0,0,0|3,0,0]=4 373 B16R0.224 CC(C)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000210198 [1,0,0,0,0,0|3,0,0]=4 374 B16R0.224 CC(C)C(=O)OCSCCCCCCCCO 62a_100000033203_100000139345 [1,0,0,0,0,0|3,0,0]=4 375 B16R0.224 CC(C)C(=O)OCSCCCCCCCCO 62a_100000139345_100000033203 [1,0,0,0,0,0|3,0,0]=4 376 B16R0.224 CC(F)C(=O)CCCCCCCCCCCO 1458a_100000062450_100009812471 [1,0,0,0,0,0|2,0,0]=3 377 B16R0.224 CC(F)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000062450 [1,0,0,0,0,0|3,0,0]=4 378 B16R0.224 CCCCC#CCCCCCCC(=O)C(C)C 1458a_100000210198_200000043322 [1,0,0,0,0,0|1,0,2]=4 379 B16R0.224 CCCCC#CCCCCCCC(=O)C(C)F 1458a_100000062450_200000043322 [1,0,0,0,0,0|1,0,2]=4 380 B16R0.224 CCCCC#CCCCCCCC(=O)C(O)O 1458a_100000233687_200000043322 [1,0,0,0,0,0|1,0,2]=4 381 B16R0.224 CCCCC#CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_200000043322 [1,0,0,0,0,0|0,0,2]=3 382 B16R0.224 CCCCC#CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_200000043322 [1,0,0,0,0,0|0,0,2]=3 383 B16R0.224 CCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000759014 [1,0,0,0,0,0|1,0,0]=2 384 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100011215791 [1,0,0,0,0,0|2,0,0]=3 385 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100011215791 [1,0,0,0,0,0|2,0,0]=3 386 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100011215791 [1,0,0,0,0,0|2,0,0]=3 387 B16R0.224 CCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000759014 [1,0,0,0,0,0|0,0,0]=1 388 B16R0.224 CCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000759014 [1,0,0,0,0,0|0,0,0]=1 389 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 11a_200011215754_100000210198 [1,0,0,0,0,0|2,0,0]=3 390 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 1626a_200011215754_100000210198 [1,0,0,0,0,0|2,0,0]=3 391 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 240690a_200011215754_100000210198 [1,0,0,0,0,0|2,0,0]=3 392 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 527a_200011215754_100000210198 [1,0,0,0,0,0|2,0,0]=3 393 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 11a_200011215754_100000062450 [1,0,0,0,0,0|2,0,0]=3 394 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 1626a_200011215754_100000062450 [1,0,0,0,0,0|2,0,0]=3 395 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 240690a_200011215754_100000062450 [1,0,0,0,0,0|2,0,0]=3 396 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 527a_200011215754_100000062450 [1,0,0,0,0,0|2,0,0]=3 397 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 11a_200011215754_100000210393 [1,0,0,0,0,0|3,0,0]=4 398 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 1626a_200011215754_100000210393 [1,0,0,0,0,0|3,0,0]=4 399 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 240690a_200011215754_100000210393 [1,0,0,0,0,0|3,0,0]=4 400 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 527a_200011215754_100000210393 [1,0,0,0,0,0|3,0,0]=4 401 B16R0.224 CCCCCCCCCCCNC(=O)C(O)O 240690a_200011215754_100000233687 [1,0,0,0,0,0|2,0,0]=3 402 B16R0.224 CCCCCCCCCCCNC(=O)N(C)C 2708a_200011215754_100102631434 [1,0,0,0,0,0|3,0,0]=4 403 B16R0.224 CCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_200011215754_100000717761 [1,0,0,0,0,0|1,0,0]=2 404 B16R0.224 CCCCCCCCCCCNC(=O)[C@H](C)O 1626a_200011215754_217856618621 [1,0,0,0,0,0|1,0,0]=2 405 B16R0.224 CCCCCCCCCCCNC(=O)[C@H](C)O 240690a_200011215754_217856618621 [1,0,0,0,0,0|1,0,0]=2 406 B16R0.224 CCCCCCCCCCNCC(=O)C(=O)C 34a_100000684558_100011261029 [1,0,0,0,0,0|1,0,2]=4 407 B16R0.224 CCCCCCCCCCNCC(=O)C(C)C 2230a_100000684558_100000753385 [1,0,0,0,0,0|2,0,0]=3 408 B16R0.224 CCCCCCCCCCNCC(=O)C(C)C 34a_100000684558_100000753385 [1,0,0,0,0,0|2,0,0]=3 409 B16R0.224 CCCCCCCCCCNCC(=O)N(C)C 2230a_100000684558_100000185267 [1,0,0,0,0,0|3,0,0]=4 410 B16R0.224 CCCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210320 [1,0,0,0,0,0|3,0,0]=4 411 B16R0.224 CCCCCCCCCCNCC(=O)N(C)C 34a_100000684558_100000692301 [1,0,0,0,0,0|3,0,0]=4 412 B16R0.224 CCCCCCCCCCOCC(=O)C(=O)C 34a_100000210711_100011261029 [1,0,0,0,0,0|1,0,2]=4 413 B16R0.224 CCCCCCCCCCOCC(=O)C(C)C 34a_100000210711_100000753385 [1,0,0,0,0,0|2,0,0]=3 414 B16R0.224 CCCCCCCCCCOCC(=O)C(C)C 7a_100000210711_100000753385 [1,0,0,0,0,0|2,0,0]=3 415 B16R0.224 CCCCCCCCCCOCC(=O)N(C)C 34a_100000210711_100000692301 [1,0,0,0,0,0|3,0,0]=4 416 B16R0.224 CCCCCCCCCCOCC(=O)N(C)C 7a_100000210711_100000692301 [1,0,0,0,0,0|3,0,0]=4 417 B16R0.224 CCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210320 [1,0,0,0,0,0|1,0,2]=4 418 B16R0.224 CCCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210320 [1,0,0,0,0,0|3,0,0]=4 419 B16R0.224 CCCCCCCCCNCCC(=O)N(C)C 2230a_100000212291_100000737620 [1,0,0,0,0,0|3,0,0]=4 420 B16R0.224 CCCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100011214924 [1,0,0,0,0,0|3,0,0]=4 421 B16R0.224 CCCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100011214924 [1,0,0,0,0,0|3,0,0]=4 422 B16R0.224 CCCCCCCCCOCCC(=O)N(C)C 7a_100000210712_100000737620 [1,0,0,0,0,0|3,0,0]=4 423 B16R0.224 CCCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210670 [1,0,0,0,0,0|3,0,0]=4 424 B16R0.224 CCCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210670 [1,0,0,0,0,0|2,0,0]=3 425 B16R0.224 CCCCCCCCNCCCC(=O)N(C)C 2230a_100000229939_100000737642 [1,0,0,0,0,0|3,0,0]=4 426 B16R0.224 CCCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210759 [1,0,0,0,0,0|3,0,0]=4 427 B16R0.224 CCCCCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210759 [1,0,0,0,0,0|3,0,0]=4 428 B16R0.224 CCCCCCCCNCCNC(=O)C(C)C 34a_100000752568_100000210759 [1,0,0,0,0,0|3,0,0]=4 429 B16R0.224 CCCCCCCCOCCCC(=O)N(C)C 7a_100000210232_100000737642 [1,0,0,0,0,0|3,0,0]=4 430 B16R0.224 CCCCCCCCSCCCC(=O)N(C)C 62a_100000210759_100000737642 [1,0,0,0,0,0|3,0,0]=4 431 B16R0.224 CCCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210317 [1,0,0,0,0,0|3,0,0]=4 432 B16R0.224 CCCCCCCOCCCCC(=O)N(C)C 34a_100000210272_100000752486 [1,0,0,0,0,0|3,0,0]=4 433 B16R0.224 CCCCCCCOCCCCC(=O)N(C)C 7a_100000210272_100000752486 [1,0,0,0,0,0|3,0,0]=4 434 B16R0.224 CCCCCCCSCCCCC(=O)N(C)C 62a_100000210614_100000752486 [1,0,0,0,0,0|3,0,0]=4 435 B16R0.224 CCCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210316 [1,0,0,0,0,0|3,0,0]=4 436 B16R0.224 CN(C)C(=O)CCCCCCCCCCCO 240690a_100102631434_100000037981 [1,0,0,0,0,0|3,0,0]=4 437 B16R0.224 C[C@@H](O)C(=O)CCCCCCCCCCCO 1458a_100000717761_100009812471 [1,0,0,0,0,0|1,0,0]=2 438 B16R0.224 C[C@@H](O)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000717761 [1,0,0,0,0,0|2,0,0]=3 439 B16R0.224 C[C@H](O)C(=O)CCCCCCCCCCCO 1458a_217856618621_100009812471 [1,0,0,0,0,0|1,0,0]=2 440 B16R0.224 C[C@H](O)C(=O)NCCCCCCCCCCO 240690a_100000066964_217856618621 [1,0,0,0,0,0|2,0,0]=3 441 B16R0.224 O=C(CCCCCCCCCCCO)C(O)O 1458a_100000233687_100009812471 [1,0,0,0,0,0|2,0,0]=3 442 B16R0.224 O=C(NCCCCCCCCCCO)C(O)O 240690a_100000066964_100000233687 [1,0,0,0,0,0|3,0,0]=4 443 B16R0.274 C#CCCCCCCCCCCOCC(C)O 34a_100000054667_100011218427 [1,0,0,0,0,0|0,0,3]=4 444 B16R0.274 C#CCCCCCCCCCCOCC(C)O 7a_100000054667_100011218427 [1,0,0,0,0,0|0,0,3]=4 445 B16R0.274 C#CCCCCCCCCCCOC[C@@H](C)O 34a_100000054667_100009817552 [1,0,0,0,0,0|0,0,3]=4 446 B16R0.274 C#CCCCCCCCCCCOC[C@@H](C)O 7a_100000054667_100009817552 [1,0,0,0,0,0|0,0,3]=4 447 B16R0.274 CC(Br)COCCCCCCCCCCCO 34a_100012180447_100009812471 [1,0,0,0,0,0|2,0,1]=4 448 B16R0.274 CC(C)COCCCCCCCCCCCO 34a_100000210257_100009812471 [1,0,0,0,0,0|2,0,1]=4 449 B16R0.274 CC(F)COCCCCCCCCCCCO 34a_100015925927_100009812471 [1,0,0,0,0,0|2,0,1]=4 450 B16R0.274 CC(O)CNCCCCCCCCCCCO 2230a_100000210904_100009812471 [1,0,0,0,0,0|2,0,1]=4 451 B16R0.274 CC(O)CNCCCCCCCCCCCO 34a_100000210904_100009812471 [1,0,0,0,0,0|2,0,1]=4 452 B16R0.274 CC(O)COCCCCCCCCCCCBr 34a_100009812471_100011218427 [1,0,0,0,0,0|1,0,1]=3 453 B16R0.274 CC(O)COCCCCCCCCCCCBr 7a_100009812471_100011218427 [1,0,0,0,0,0|1,0,1]=3 454 B16R0.274 CC(O)CSCCCCCCCCCCCO 62a_100009812471_100011218427 [1,0,0,0,0,0|1,1,1]=4 455 B16R0.274 CCC#CCCCCCCCCOCC(C)O 34a_200000031908_100011218427 [1,0,0,0,0,0|0,0,3]=4 456 B16R0.274 CCC#CCCCCCCCCOCC(C)O 7a_200000031908_100011218427 [1,0,0,0,0,0|0,0,3]=4 457 B16R0.274 CCC#CCCCCCCCCOC[C@@H](C)O 34a_200000031908_100009817552 [1,0,0,0,0,0|0,0,3]=4 458 B16R0.274 CCC#CCCCCCCCCOC[C@@H](C)O 7a_200000031908_100009817552 [1,0,0,0,0,0|0,0,3]=4 459 B16R0.274 CCCCCCCCC/C=C/COCC(C)O 34a_100015232335_100011218427 [1,0,0,0,0,0|0,0,3]=4 460 B16R0.274 CCCCCCCCC/C=C/COCC(C)O 7a_100015232335_100011218427 [1,0,0,0,0,0|0,0,3]=4 461 B16R0.274 CCCCCCCCC/C=C/COC[C@@H](C)O 34a_100015232335_100009817552 [1,0,0,0,0,0|0,0,3]=4 462 B16R0.274 CCCCCCCCC/C=C/COC[C@@H](C)O 7a_100015232335_100009817552 [1,0,0,0,0,0|0,0,3]=4 463 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210451_100011218427 [1,0,0,0,0,0|1,0,1]=3 464 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215052 [1,0,0,0,0,0|1,0,1]=3 465 B16R0.274 CCCCCCCCCCCCNCC(C)O 270004a_100000210904_100011218549 [1,0,0,0,0,0|1,0,1]=3 466 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210451_100011218427 [1,0,0,0,0,0|1,0,1]=3 467 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210904_100000759014 [1,0,0,0,0,0|1,0,1]=3 468 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 2230a_100000210451_100009817552 [1,0,0,0,0,0|1,0,1]=3 469 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 34a_100000210451_100009817552 [1,0,0,0,0,0|1,0,1]=3 470 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [1,0,0,0,0,0|0,0,3]=4 471 B16R0.274 CCCCCCCCCCCCOCC(C)O 34a_100000210810_100011218427 [1,0,0,0,0,0|0,0,1]=2 472 B16R0.274 CCCCCCCCCCCCOCC(C)O 7a_100000210810_100011218427 [1,0,0,0,0,0|0,0,1]=2 473 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000759014 [1,0,0,0,0,0|1,0,1]=3 474 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 34a_100000210810_100009817552 [1,0,0,0,0,0|0,0,1]=2 475 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 7a_100000210810_100009817552 [1,0,0,0,0,0|0,0,1]=2 476 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215454 [1,0,0,0,0,0|2,0,1]=4 477 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200011215754_100012276601 [1,0,0,0,0,0|2,0,1]=4 478 B16R0.274 CCCCCCCCCCCNCCC(C)O 34a_200011215754_100012276601 [1,0,0,0,0,0|2,0,1]=4 479 B16R0.274 CCCCCCCCCCCOCCC(C)O 34a_100000210809_100012276601 [1,0,0,0,0,0|2,0,1]=4 480 B16R0.274 CCCCCCCCCCCOCCC(C)O 7a_100000210809_100012276601 [1,0,0,0,0,0|2,0,1]=4 481 B16R0.274 CCCCCCCCCCNCCCC(C)O 2230a_100000684558_200000718107 [1,0,0,0,0,0|2,0,1]=4 482 B16R0.274 CCCCCCCCCCNCCCC(C)O 34a_100000684558_200000718107 [1,0,0,0,0,0|2,0,1]=4 483 B16R0.274 CCCCCCCCCCOCCCC(C)O 34a_100000210711_200000718107 [1,0,0,0,0,0|2,0,1]=4 484 B16R0.274 CCCCCCCCCCOCCCC(C)O 7a_100000210711_200000718107 [1,0,0,0,0,0|2,0,1]=4 485 B16R0.274 CCCCCCCCCOCCOCC(C)C 34a_100000703358_100011214924 [1,0,0,0,0,0|2,0,1]=4 486 B16R0.274 CCCCCCCCCOCCOCC(C)C 7a_100000703358_100000210328 [1,0,0,0,0,0|2,0,1]=4 487 B16R0.274 CCCCCCCCNCCCOCC(C)C 2230a_100000205972_100000210759 [1,0,0,0,0,0|2,0,1]=4 488 B16R0.274 CCCCCCCCNCCCOCC(C)C 34a_100000205972_100000210759 [1,0,0,0,0,0|2,0,1]=4 489 B16R0.274 CCCCCCOCCOCCOCC(C)O 34a_100000032842_100011218427 [1,0,0,0,0,0|2,0,1]=4 490 B16R0.274 CCCCCCOCCOCCOCC(C)O 7a_100000032842_100011218427 [1,0,0,0,0,0|2,0,1]=4 491 B16R0.274 CCCCCCOCCOCCOC[C@@H](C)O 34a_100000032842_100009817552 [1,0,0,0,0,0|2,0,1]=4 492 B16R0.274 CCCCCCOCCOCCOC[C@@H](C)O 7a_100000032842_100009817552 [1,0,0,0,0,0|2,0,1]=4 493 B16R0.274 CCOCCCCCCCCCOCC(C)C 34a_100009875440_100000210624 [1,0,0,0,0,0|2,0,1]=4 494 B16R0.274 CCOCCCCCCCCCOCC(C)C 7a_100009875440_100000210760 [1,0,0,0,0,0|2,0,1]=4 495 B16R0.274 CCOCCCCCCCCCOCC(C)O 34a_100009875440_100011218427 [1,0,0,0,0,0|1,0,1]=3 496 B16R0.274 CCOCCCCCCCCCOCC(C)O 7a_100009875440_100011218427 [1,0,0,0,0,0|1,0,1]=3 497 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 34a_100009875440_100009817552 [1,0,0,0,0,0|1,0,1]=3 498 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 7a_100009875440_100009817552 [1,0,0,0,0,0|1,0,1]=3 499 B16R0.274 C[C@@H](Cl)COCCCCCCCCCCCO 34a_100016084084_100009812471 [1,0,0,0,0,0|2,0,1]=4 500 B16R0.274 C[C@@H](N)COCCCCCCCCCCCO 34a_100000737577_100009812471 [1,0,0,0,0,0|2,0,1]=4 501 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 34a_100009812471_100009817552 [1,0,0,0,0,0|1,0,1]=3 502 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 7a_100009812471_100009817552 [1,0,0,0,0,0|1,0,1]=3 503 B16R0.274 C[C@@H](O)CSCCCCCCCCCCCO 62a_100009812471_100009817552 [1,0,0,0,0,0|1,1,1]=4 504 B18R0.131 C=C(C)C(=O)OCCCCOC(C)CCCCCC 7a_100000065474_100011215978 [0,1,0,0,0,0|2,0,1]=4 505 B18R0.131 C=C(C)C(=O)OCCOCCC(C)CCCCCC 34a_200011024964_100009816335 [0,1,0,0,0,0|2,0,1]=4 506 B18R0.131 C=C(C)C(=O)OCCOCCC(C)CCCCCC 7a_200011024964_100009816335 [0,1,0,0,0,0|2,0,1]=4 507 B18R0.174 C#CCCCCCCCCCCOCC(=O)C(C)C 34a_100000054667_100000753385 [0,1,0,0,0,0|1,0,2]=4 508 B18R0.174 C#CCCCCCCCCCCOCC(=O)C(C)C 7a_100000054667_100000753385 [0,1,0,0,0,0|1,0,2]=4 509 B18R0.174 C=C(C)C(=O)CCCCCCCCCCCCCO 1458a_100000185857_100009812470 [0,1,0,0,0,0|2,0,1]=4 510 B18R0.174 C=C(C)C(=O)NCCCCCCCCCCCCC 11a_100011215765_100000185857 [0,1,0,0,0,0|2,0,1]=4 511 B18R0.174 C=C(C)C(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000185857 [0,1,0,0,0,0|2,0,1]=4 512 B18R0.174 C=C(C)C(=O)NCCCNCCCCCCCCC 2230a_100016987756_100011214924 [0,1,0,0,0,0|2,0,1]=4 513 B18R0.174 C=C(C)C(=O)NCCNCCCCCCCCCC 2230a_100102636416_100000210320 [0,1,0,0,0,0|2,0,1]=4 514 B18R0.174 C=C(C)C(=O)OCCCCCCNCCCCCC 2230a_100000210581_200010402237 [0,1,0,0,0,0|1,0,1]=3 515 B18R0.174 C=C(C)C(=O)OCCCCCCNCCCCCO 2230a_100000762737_200010402237 [0,1,0,0,0,0|2,0,1]=4 516 B18R0.174 C=C(C)C(=O)OCCCCCCNCCCCCO 34a_100000762737_200010402237 [0,1,0,0,0,0|2,0,1]=4 517 B18R0.174 C=C(C)C(=O)OCCCCCCNCCCOCC 2230a_100000210961_200010402237 [0,1,0,0,0,0|2,0,1]=4 518 B18R0.174 C=C(C)C(=O)OCCCCCCNCCCOCC 34a_100000210961_200010402237 [0,1,0,0,0,0|2,0,1]=4 519 B18R0.174 C=C(C)C(=O)OCCCCCCNCCOCCC 2230a_100161115042_200010402237 [0,1,0,0,0,0|2,0,1]=4 520 B18R0.174 C=C(C)C(=O)OCCCCCCNCCOCCC 34a_100161115042_200010402237 [0,1,0,0,0,0|2,0,1]=4 521 B18R0.174 C=C(C)C(=O)OCCCCCCNCCSCCC 2230a_100020603323_200010402237 [0,1,0,0,0,0|2,0,1]=4 522 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCBr 34a_100000746331_200010402237 [0,1,0,0,0,0|2,0,1]=4 523 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCBr 7a_100000746331_200010402237 [0,1,0,0,0,0|2,0,1]=4 524 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCC 34a_100000210259_200010402237 [0,1,0,0,0,0|1,0,1]=3 525 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCC 7a_100000210259_200010402237 [0,1,0,0,0,0|1,0,1]=3 526 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCCl 34a_100000746330_200010402237 [0,1,0,0,0,0|2,0,1]=4 527 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCCl 7a_100000746330_200010402237 [0,1,0,0,0,0|2,0,1]=4 528 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCI 34a_200012148887_200010402237 [0,1,0,0,0,0|2,0,1]=4 529 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCI 7a_200012148887_200010402237 [0,1,0,0,0,0|2,0,1]=4 530 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCN 34a_100000762737_200010402237 [0,1,0,0,0,0|2,0,1]=4 531 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCOC 34a_100000740925_200010402237 [0,1,0,0,0,0|2,0,1]=4 532 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCSC 34a_100011217163_200010402237 [0,1,0,0,0,0|2,0,1]=4 533 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCSC 7a_100011217163_200010402237 [0,1,0,0,0,0|2,0,1]=4 534 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCOCC 34a_100000757476_200010402237 [0,1,0,0,0,0|2,0,1]=4 535 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCOCC 7a_100000757476_200010402237 [0,1,0,0,0,0|2,0,1]=4 536 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCSCC 34a_100011216438_200010402237 [0,1,0,0,0,0|2,0,1]=4 537 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCSCC 7a_100011216438_200010402237 [0,1,0,0,0,0|2,0,1]=4 538 B18R0.174 C=C(C)C(=O)OCCCCCCOCCOCCC 34a_100000752267_200010402237 [0,1,0,0,0,0|2,0,1]=4 539 B18R0.174 C=C(C)C(=O)OCCCCCCOCCOCCC 7a_100000752267_200010402237 [0,1,0,0,0,0|2,0,1]=4 540 B18R0.174 C=C(C)C(=O)OCCCCCCOCCSCCC 34a_200000230433_200010402237 [0,1,0,0,0,0|2,0,1]=4 541 B18R0.174 C=C(C)C(=O)OCCCCCCOCCSCCC 7a_200000230433_200010402237 [0,1,0,0,0,0|2,0,1]=4 542 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCC 62a_100000210314_200010402237 [0,1,0,0,0,0|1,0,1]=3 543 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCC 62a_200010402237_100000210757 [0,1,0,0,0,0|1,0,1]=3 544 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCF 62a_100000729378_200010402237 [0,1,0,0,0,0|2,0,1]=4 545 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCF 62a_200010402237_100000729378 [0,1,0,0,0,0|2,0,1]=4 546 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCO 62a_100000746330_200010402237 [0,1,0,0,0,0|2,0,1]=4 547 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCO 62a_200010402237_100000746330 [0,1,0,0,0,0|2,0,1]=4 548 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCOC 62a_100000730899_200010402237 [0,1,0,0,0,0|2,0,1]=4 549 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCOC 62a_200010402237_100000730899 [0,1,0,0,0,0|2,0,1]=4 550 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCOCC 62a_100012232248_200010402237 [0,1,0,0,0,0|2,0,1]=4 551 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCOCC 62a_200010402237_100012232248 [0,1,0,0,0,0|2,0,1]=4 552 B18R0.174 C=C(C)C(=O)OCCCCCCSCCOCCC 62a_100011215938_200010402237 [0,1,0,0,0,0|2,0,1]=4 553 B18R0.174 C=C(C)C(=O)OCCCCCCSCCOCCC 62a_200010402237_100011215938 [0,1,0,0,0,0|2,0,1]=4 554 B18R0.174 C=C(C)C(=O)OCCCCCCSCOCCCC 62a_100011995733_200010402237 [0,1,0,0,0,0|2,0,1]=4 555 B18R0.174 C=C(C)C(=O)OCCCCCCSCOCCCC 62a_200010402237_100011995733 [0,1,0,0,0,0|2,0,1]=4 556 B18R0.174 C=C(C)C(=O)OCCCCOCCCCCCCC 7a_100000065474_100000210759 [0,1,0,0,0,0|1,0,1]=3 557 B18R0.174 C=C(C)C(=O)OCCCCOCCCCCCCO 7a_100000065474_100000760002 [0,1,0,0,0,0|2,0,1]=4 558 B18R0.174 C=C(C)C(=O)OCCCCOCCCCCCOC 7a_100000065474_100011998445 [0,1,0,0,0,0|2,0,1]=4 559 B18R0.174 C=C(C)C(=O)OCCCOCCCCCCCCC 7a_100000032641_100000210328 [0,1,0,0,0,0|1,0,1]=3 560 B18R0.174 C=C(C)C(=O)OCCCOCCCCCCCCO 7a_100000032641_100000033203 [0,1,0,0,0,0|2,0,1]=4 561 B18R0.174 C=C(C)C(=O)OCCNCCCCCCCCCC 2230a_100000684558_100009816335 [0,1,0,0,0,0|1,0,1]=3 562 B18R0.174 C=C(C)C(=O)OCCNCCCCCCCCCC 34a_100000684558_100009816335 [0,1,0,0,0,0|1,0,1]=3 563 B18R0.174 C=C(C)C(=O)OCCNCCCCCCCCCO 2230a_100000078944_100009816335 [0,1,0,0,0,0|2,0,1]=4 564 B18R0.174 C=C(C)C(=O)OCCNCCCCCCCCCO 34a_100000078944_100009816335 [0,1,0,0,0,0|2,0,1]=4 565 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCBr 34a_100009813782_100009816335 [0,1,0,0,0,0|2,0,1]=4 566 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCBr 7a_100009813782_100009816335 [0,1,0,0,0,0|2,0,1]=4 567 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCC 34a_100000210711_100009816335 [0,1,0,0,0,0|1,0,1]=3 568 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCC 7a_100000210711_100009816335 [0,1,0,0,0,0|1,0,1]=3 569 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCCl 34a_100009868337_100009816335 [0,1,0,0,0,0|2,0,1]=4 570 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCCl 7a_100009868337_100009816335 [0,1,0,0,0,0|2,0,1]=4 571 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCN 34a_100000078944_100009816335 [0,1,0,0,0,0|2,0,1]=4 572 B18R0.174 C=C(C)C(=O)OCCSCCCCCCCCCC 62a_100009816335_100000210320 [0,1,0,0,0,0|1,0,1]=3 573 B18R0.174 C=C(C)C(=O)OCCSCCCCCCCCCO 62a_100009813782_100009816335 [0,1,0,0,0,0|2,0,1]=4 574 B18R0.174 C=C(C)C(=O)OCCSCCCCCCCCCO 62a_100009816335_100009813782 [0,1,0,0,0,0|2,0,1]=4 575 B18R0.174 CC(=O)C(=O)COCCCCCCCCCCCBr 34a_100009812471_100011261029 [0,1,0,0,0,0|1,0,2]=4 576 B18R0.174 CC(C)C(=O)CCCCCCCCCCCCCO 1458a_100000210198_100009812470 [0,1,0,0,0,0|2,0,0]=3 577 B18R0.174 CC(C)C(=O)CSCCCCCCCCCCCO 62a_100009812471_100000753385 [0,1,0,0,0,0|2,1,0]=4 578 B18R0.174 CC(C)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000210198 [0,1,0,0,0,0|2,0,0]=3 579 B18R0.174 CC(C)C(=O)NCCNCCCCCCCCCO 2230a_100000752568_100009813782 [0,1,0,0,0,0|3,0,0]=4 580 B18R0.174 CC(C)C(=O)NCCNCCCCCCCCCO 34a_100000752568_100009813782 [0,1,0,0,0,0|3,0,0]=4 581 B18R0.174 CC(C)C(=O)OCSCCCCCCCCCCO 62a_100000139345_200000033068 [0,1,0,0,0,0|2,0,0]=3 582 B18R0.174 CC(C)C(=O)OCSCCCCCCCCCCO 62a_100009813290_100000139345 [0,1,0,0,0,0|2,0,0]=3 583 B18R0.174 CC(C)C(C)OCCCCCCCCCCCCO 7a_100000748068_100009813331 [0,1,0,0,0,0|2,0,1]=4 584 B18R0.174 CC(F)C(=O)CCCCCCCCCCCCCO 1458a_100000062450_100009812470 [0,1,0,0,0,0|2,0,0]=3 585 B18R0.174 CC(F)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000062450 [0,1,0,0,0,0|2,0,0]=3 586 B18R0.174 CCC#CCCCCCCCCOCC(=O)C(C)C 34a_200000031908_100000753385 [0,1,0,0,0,0|1,0,2]=4 587 B18R0.174 CCC#CCCCCCCCCOCC(=O)C(C)C 7a_200000031908_100000753385 [0,1,0,0,0,0|1,0,2]=4 588 B18R0.174 CCCCCCCCC/C=C/COCC(=O)C(C)C 34a_100015232335_100000753385 [0,1,0,0,0,0|1,0,2]=4 589 B18R0.174 CCCCCCCCC/C=C/COCC(=O)C(C)C 7a_100015232335_100000753385 [0,1,0,0,0,0|1,0,2]=4 590 B18R0.174 CCCCCCCCCCCC=NNC(=O)C(C)C 4a_100000184118_100011218549 [0,1,0,0,0,0|2,0,1]=4 591 B18R0.174 CCCCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011215471 [0,1,0,0,0,0|2,0,0]=3 592 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 11a_100011215765_100000062450 [0,1,0,0,0,0|2,0,0]=3 593 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 1626a_100011215765_100000062450 [0,1,0,0,0,0|2,0,0]=3 594 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 240690a_100011215765_100000062450 [0,1,0,0,0,0|2,0,0]=3 595 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 527a_100011215765_100000062450 [0,1,0,0,0,0|2,0,0]=3 596 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 11a_100011215765_100000210393 [0,1,0,0,0,0|3,0,0]=4 597 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 1626a_100011215765_100000210393 [0,1,0,0,0,0|3,0,0]=4 598 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 240690a_100011215765_100000210393 [0,1,0,0,0,0|3,0,0]=4 599 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 527a_100011215765_100000210393 [0,1,0,0,0,0|3,0,0]=4 600 B18R0.174 CCCCCCCCCCCCCNC(=O)C(O)O 240690a_100011215765_100000233687 [0,1,0,0,0,0|2,0,0]=3 601 B18R0.174 CCCCCCCCCCCCCNC(=O)N(C)C 2708a_100011215765_100102631434 [0,1,0,0,0,0|3,0,0]=4 602 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100011215765_100000717761 [0,1,0,0,0,0|1,0,0]=2 603 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@H](C)O 1626a_100011215765_217856618621 [0,1,0,0,0,0|1,0,0]=2 604 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@H](C)O 240690a_100011215765_217856618621 [0,1,0,0,0,0|1,0,0]=2 605 B18R0.174 CCCCCCCCCCCCNCC(=O)C(=O)C 34a_100000210451_100011261029 [0,1,0,0,0,0|1,0,2]=4 606 B18R0.174 CCCCCCCCCCCCNCC(=O)C(C)C 2230a_100000210451_100000753385 [0,1,0,0,0,0|2,0,0]=3 607 B18R0.174 CCCCCCCCCCCCNCC(=O)C(C)C 34a_100000210451_100000753385 [0,1,0,0,0,0|2,0,0]=3 608 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 2230a_100000210451_100000185267 [0,1,0,0,0,0|3,0,0]=4 609 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011215052 [0,1,0,0,0,0|3,0,0]=4 610 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 270004a_100015183351_100011218549 [0,1,0,0,0,0|3,0,0]=4 611 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 34a_100000210451_100000692301 [0,1,0,0,0,0|3,0,0]=4 612 B18R0.174 CCCCCCCCCCCCOCC(=O)C(=O)C 34a_100000210810_100011261029 [0,1,0,0,0,0|0,0,2]=3 613 B18R0.174 CCCCCCCCCCCCOCC(=O)N(C)C 34a_100000210810_100000692301 [0,1,0,0,0,0|2,0,0]=3 614 B18R0.174 CCCCCCCCCCCCOCC(=O)N(C)C 7a_100000210810_100000692301 [0,1,0,0,0,0|2,0,0]=3 615 B18R0.174 CCCCCCCCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000759014 [0,1,0,0,0,0|2,0,1]=4 616 B18R0.174 CCCCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000759014 [0,1,0,0,0,0|0,1,2]=4 617 B18R0.174 CCCCCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000759014 [0,1,0,0,0,0|2,1,0]=4 618 B18R0.174 CCCCCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100011215454 [0,1,0,0,0,0|3,0,0]=4 619 B18R0.174 CCCCCCCCCCCNCCC(=O)N(C)C 2230a_200011215754_100000737620 [0,1,0,0,0,0|3,0,0]=4 620 B18R0.174 CCCCCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100011215454 [0,1,0,0,0,0|3,0,0]=4 621 B18R0.174 CCCCCCCCCCCOCCC(=O)N(C)C 7a_100000210809_100000737620 [0,1,0,0,0,0|3,0,0]=4 622 B18R0.174 CCCCCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100011215454 [0,1,0,0,0,0|3,0,0]=4 623 B18R0.174 CCCCCCCCCCNCCCC(=O)N(C)C 2230a_100000684558_100000737642 [0,1,0,0,0,0|3,0,0]=4 624 B18R0.174 CCCCCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210320 [0,1,0,0,0,0|3,0,0]=4 625 B18R0.174 CCCCCCCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210320 [0,1,0,0,0,0|2,0,0]=3 626 B18R0.174 CCCCCCCCCCNCCNC(=O)C(C)C 34a_100000752568_100000210320 [0,1,0,0,0,0|2,0,0]=3 627 B18R0.174 CCCCCCCCCCOCCCC(=O)N(C)C 7a_100000210711_100000737642 [0,1,0,0,0,0|3,0,0]=4 628 B18R0.174 CCCCCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210320 [0,1,0,0,0,0|3,0,0]=4 629 B18R0.174 CCCCCCCCCNCCCCC(=O)N(C)C 34a_100000212291_100000752486 [0,1,0,0,0,0|3,0,0]=4 630 B18R0.174 CCCCCCCCCOCCCCC(=O)N(C)C 34a_100000210712_100000752486 [0,1,0,0,0,0|3,0,0]=4 631 B18R0.174 CCCCCCCCCOCCCCC(=O)N(C)C 7a_100000210712_100000752486 [0,1,0,0,0,0|3,0,0]=4 632 B18R0.174 CCCCCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210670 [0,1,0,0,0,0|3,0,0]=4 633 B18R0.174 CCCCCCOCCOCCOCC(=O)C(C)C 34a_100000032842_100000753385 [0,1,0,0,0,0|3,0,0]=4 634 B18R0.174 CCCCCCOCCOCCOCC(=O)C(C)C 7a_100000032842_100000753385 [0,1,0,0,0,0|3,0,0]=4 635 B18R0.174 CCOCCCCCCCCCOCC(=O)C(=O)C 34a_100009875440_100011261029 [0,1,0,0,0,0|1,0,2]=4 636 B18R0.174 CCOCCCCCCCCCOCC(=O)C(C)C 34a_100009875440_100000753385 [0,1,0,0,0,0|2,0,0]=3 637 B18R0.174 CCOCCCCCCCCCOCC(=O)C(C)C 7a_100009875440_100000753385 [0,1,0,0,0,0|2,0,0]=3 638 B18R0.174 CCOCCCCCCCCCOCC(=O)N(C)C 34a_100009875440_100000692301 [0,1,0,0,0,0|3,0,0]=4 639 B18R0.174 CCOCCCCCCCCCOCC(=O)N(C)C 7a_100009875440_100000692301 [0,1,0,0,0,0|3,0,0]=4 640 B18R0.174 CN(C)C(=O)CCCCCCCCCCCCCO 240690a_100102631434_100020644313 [0,1,0,0,0,0|3,0,0]=4 641 B18R0.174 CN(C)C(=O)COCCCCCCCCCCCBr 34a_100009812471_100000692301 [0,1,0,0,0,0|3,0,0]=4 642 B18R0.174 CN(C)C(=O)COCCCCCCCCCCCBr 7a_100009812471_100000692301 [0,1,0,0,0,0|3,0,0]=4 643 B18R0.174 CN(C)C(=O)NCCCCCCCCCCCCO 2708a_100000066677_100102631434 [0,1,0,0,0,0|3,0,0]=4 644 B18R0.174 C[C@@H](O)C(=O)CCCCCCCCCCCCCO 1458a_100000717761_100009812470 [0,1,0,0,0,0|1,0,0]=2 645 B18R0.174 C[C@@H](O)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000717761 [0,1,0,0,0,0|1,0,0]=2 646 B18R0.174 C[C@H](O)C(=O)CCCCCCCCCCCCCO 1458a_217856618621_100009812470 [0,1,0,0,0,0|1,0,0]=2 647 B18R0.174 C[C@H](O)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_217856618621 [0,1,0,0,0,0|1,0,0]=2 648 B18R0.174 O=C(CCCCCCCCCCCCCO)C(O)O 1458a_100000233687_100009812470 [0,1,0,0,0,0|2,0,0]=3 649 B18R0.174 O=C(NCCCCCCCCCCCCO)C(F)F 240690a_100000066677_100000210393 [0,1,0,0,0,0|3,0,0]=4 650 B18R0.174 O=C(NCCCCCCCCCCCCO)C(O)O 240690a_100000066677_100000233687 [0,1,0,0,0,0|2,0,0]=3 651 B18R0.186 CCCCCCCCCCCC(O)CC(=O)N(C)C 1626a_100102631434_100000082106 [0,1,0,0,0,0|3,0,0]=4 652 B18R0.186 CCCCCCCCCCCC(O)CC(=O)N(C)C 240690a_100102631434_100000082106 [0,1,0,0,0,0|3,0,0]=4 653 B18R0.186 CCCCCCCCCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000210668 [0,1,0,0,0,0|2,0,1]=4 654 B18R0.186 CCCCCCCCCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000210668 [0,1,0,0,0,0|2,0,1]=4 655 B18R0.189 C/C=C(\C)/C(=O)NCCCCCCCCCCCC 11a_100000210451_100020587367 [0,1,0,0,0,0|2,0,1]=4 656 B18R0.189 C/C=C(\C)/C(=O)NCCCCCCCCCCCC 1626a_100000210451_100020587367 [0,1,0,0,0,0|2,0,1]=4 657 B18R0.189 C=CC(C)C(=O)CCCCCCCCCCCCO 1458a_100011216780_100009813331 [0,1,0,0,0,0|3,0,0]=4 658 B18R0.189 C=CC(C)C(=O)NCCCCCCCCCCCC 11a_100000210451_100011216780 [0,1,0,0,0,0|2,0,0]=3 659 B18R0.189 C=CC(C)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100011216780 [0,1,0,0,0,0|2,0,0]=3 660 B18R0.189 C=CC(C)C(=O)NCCCCCCCCCCCC 240690a_100000210451_100011216780 [0,1,0,0,0,0|2,0,0]=3 661 B18R0.189 C=CC(C)C(=O)NCCCCCCCCCCCC 527a_100000210451_100011216780 [0,1,0,0,0,0|2,0,0]=3 662 B18R0.189 C=CCCCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_102130925996 [0,1,0,0,0,0|1,0,2]=4 663 B18R0.189 C=CCCCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_102130925996 [0,1,0,0,0,0|1,0,2]=4 664 B18R0.189 CC(C#N)C(=O)CCCCCCCCCCCCO 1458a_100000753662_100009813331 [0,1,0,0,0,0|3,0,0]=4 665 B18R0.189 CCC(C)C(=O)CCCCCCCCCCCCO 1458a_100011192722_100009813331 [0,1,0,0,0,0|3,0,0]=4 666 B18R0.189 CCC(O)C(=O)CCCCCCCCCCCCO 1458a_100011196387_100009813331 [0,1,0,0,0,0|2,0,0]=3 667 B18R0.189 CCC(O)C(=O)CCCCCCOCCCCCO 1458a_100011196387_200132310570 [0,1,0,0,0,0|3,0,0]=4 668 B18R0.189 CCCCCCCCCCC=NNC(=O)C(C)OC 4a_100000243824_100011218819 [0,1,0,0,0,0|2,0,1]=4 669 B18R0.189 CCCCCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210684 [0,1,0,0,0,0|1,0,2]=4 670 B18R0.189 CCCCCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210684 [0,1,0,0,0,0|1,0,0]=2 671 B18R0.189 CCCCCCCCCCCCCN(C)C(C)CO 2230a_100000693034_100000210684 [0,1,0,0,0,0|3,0,0]=4 672 B18R0.189 CCCCCCCCCCCCCN(C)C(C)CO 269982a_100000693034_100000210684 [0,1,0,0,0,0|3,0,0]=4 673 B18R0.189 CCCCCCCCCCCCCN(C)C(C)CO 270004a_100000693034_200011215488 [0,1,0,0,0,0|3,0,0]=4 674 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)NC 1626a_100000210451_100011218921 [0,1,0,0,0,0|1,0,2]=4 675 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)NC 240690a_100000210451_100011218921 [0,1,0,0,0,0|1,0,2]=4 676 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)NC 527a_100000210451_100011218921 [0,1,0,0,0,0|1,0,2]=4 677 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 11a_100000210451_100000024059 [0,1,0,0,0,0|1,0,2]=4 678 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 1626a_100000210451_100000024059 [0,1,0,0,0,0|1,0,2]=4 679 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 240690a_100000210451_100000024059 [0,1,0,0,0,0|1,0,2]=4 680 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 527a_100000210451_100000024059 [0,1,0,0,0,0|1,0,2]=4 681 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)C#N 11a_100000210451_100000753662 [0,1,0,0,0,0|2,0,0]=3 682 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)C#N 1626a_100000210451_100000753662 [0,1,0,0,0,0|2,0,0]=3 683 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)C#N 240690a_100000210451_100000753662 [0,1,0,0,0,0|2,0,0]=3 684 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)C#N 527a_100000210451_100000753662 [0,1,0,0,0,0|2,0,0]=3 685 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)OC 11a_100000210451_100000743197 [0,1,0,0,0,0|1,0,0]=2 686 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)OC 1626a_100000210451_100000743197 [0,1,0,0,0,0|1,0,0]=2 687 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)OC 240690a_100000210451_100000743197 [0,1,0,0,0,0|1,0,0]=2 688 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)OC 527a_100000210451_100000743197 [0,1,0,0,0,0|1,0,0]=2 689 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)SC 11a_100000210451_100000149566 [0,1,0,0,0,0|1,1,0]=3 690 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)SC 1626a_100000210451_100000149566 [0,1,0,0,0,0|1,1,0]=3 691 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)SC 240690a_100000210451_100000149566 [0,1,0,0,0,0|1,1,0]=3 692 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)SC 527a_100000210451_100000149566 [0,1,0,0,0,0|1,1,0]=3 693 B18R0.189 CCCCCCCCCCCCNC(=O)C(O)CC 240690a_100000210451_100011196387 [0,1,0,0,0,0|1,0,0]=2 694 B18R0.189 CCCCCCCCCCCCNC(=O)C(O)CO 240690a_100000210451_100011215603 [0,1,0,0,0,0|1,0,0]=2 695 B18R0.189 CCCCCCCCCCCCNC(=O)N(C)CC 2708a_100000210451_100000225621 [0,1,0,0,0,0|3,0,0]=4 696 B18R0.189 CCCCCCCCCCCCNC(=O)N(C)CC 273464a_100000210451_100000225621 [0,1,0,0,0,0|3,0,0]=4 697 B18R0.189 CCCCCCCCCCCNCC(=O)N(C)OC 2230a_100015207273_100011215454 [0,1,0,0,0,0|3,0,0]=4 698 B18R0.189 CCCCCCCCCCCNCC(=O)N(C)OC 2230a_200011215754_100000764215 [0,1,0,0,0,0|3,0,0]=4 699 B18R0.189 CCCCCCCCCCCOCC(=O)N(C)OC 7a_100000210809_100000764215 [0,1,0,0,0,0|3,0,0]=4 700 B18R0.189 CCCCCCCCCCCSCC(=O)N(C)OC 62a_100000764215_100011215454 [0,1,0,0,0,0|3,0,0]=4 701 B18R0.189 CCCCCCCCCOCCCC(=O)N(C)OC 7a_100000210712_100011842776 [0,1,0,0,0,0|3,0,0]=4 702 B18R0.189 CCCCCCCCCSCCCC(=O)N(C)OC 62a_100011842776_100000210670 [0,1,0,0,0,0|3,0,0]=4 703 B18R0.189 COC(C)C(=O)CCCCCCCCCCCCO 1458a_100000743197_100009813331 [0,1,0,0,0,0|2,0,0]=3 704 B18R0.189 COC(C)C(=O)CCCCCCOCCCCCO 1458a_100000743197_200132310570 [0,1,0,0,0,0|3,0,0]=4 705 B18R0.189 CSC(C)C(=O)CCCCCCCCCCCCO 1458a_100000149566_100009813331 [0,1,0,0,0,0|2,1,0]=4 706 B18R0.189 O=C(CCCCCCCCCCCCO)C(O)CO 1458a_100011215603_100009813331 [0,1,0,0,0,0|2,0,0]=3 707 B18R0.189 O=C(CCCCCCOCCCCCO)C(O)CO 1458a_100011215603_200132310570 [0,1,0,0,0,0|3,0,0]=4 708 B18R0.942 C=C(C)C(=O)OCCCCCCNCCCC(C)C 2230a_200000737386_200010402237 [0,1,0,0,0,0|2,0,1]=4 709 B18R0.942 C=C(C)C(=O)OCCCCCCNCCCC(C)C 34a_200000737386_200010402237 [0,1,0,0,0,0|2,0,1]=4 710 B18R0.942 C=C(C)C(=O)OCCCCCCOCCCC(C)C 34a_100000210774_200010402237 [0,1,0,0,0,0|2,0,1]=4 711 B18R0.942 C=C(C)C(=O)OCCCCCCOCCCC(C)C 7a_100000210774_200010402237 [0,1,0,0,0,0|2,0,1]=4 712 B18R0.942 C=C(C)C(=O)OCCCCCCSCCCC(C)C 62a_100011214892_200010402237 [0,1,0,0,0,0|2,0,1]=4 713 B18R0.942 C=C(C)C(=O)OCCCCCCSCCCC(C)C 62a_200010402237_100011214892 [0,1,0,0,0,0|2,0,1]=4 714 B18R0.942 C=C(C)C(=O)OCCCCCCSCCCC(C)O 62a_200000718107_200010402237 [0,1,0,0,0,0|2,0,1]=4 715 B18R0.942 C=C(C)C(=O)OCCCCCCSCCCC(C)O 62a_200010402237_200000718107 [0,1,0,0,0,0|2,0,1]=4 716 B18R0.942 C=C(C)C(=O)OCCCCOCCCCCC(C)C 7a_100000065474_100000210682 [0,1,0,0,0,0|2,0,1]=4 717 B18R0.942 C=C(C)C(=O)OCCOCCCCCCCC(C)C 34a_200000210741_100009816335 [0,1,0,0,0,0|2,0,1]=4 718 B18R0.942 C=C(C)C(=O)OCCOCCCCCCCC(C)C 7a_200000210741_100009816335 [0,1,0,0,0,0|2,0,1]=4 719 B18R0.1438 C=C(C)C(=O)OCCCCCCOCC(C)CCC 34a_100000688023_200010402237 [0,1,0,0,0,0|2,0,1]=4 720 B18R0.1438 C=C(C)C(=O)OCCCCCCOCC(C)CCC 7a_100000688023_200010402237 [0,1,0,0,0,0|2,0,1]=4 721 B18R0.1438 C=C(C)C(=O)OCCCCCCOC[C@@H](N)CCC 34a_100000732646_200010402237 [0,1,0,0,0,0|2,0,1]=4 722 B18R0.1438 C=C(C)C(=O)OCCCCCCSCC(C)CCC 62a_100011216630_200010402237 [0,1,0,0,0,0|2,0,1]=4 723 B18R0.1438 C=C(C)C(=O)OCCCCCCSCC(C)CCC 62a_200010402237_100011216630 [0,1,0,0,0,0|2,0,1]=4 724 B18R0.1438 CCOC(=O)CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009828014 [0,1,0,0,0,0|2,0,1]=4 725 B18R0.1438 CCOC(=O)CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009828014 [0,1,0,0,0,0|2,0,1]=4 726 B18R0.3048 C=CCCCCCCCCCCCC(=O)C(C)(C)O 1458a_100000242741_102130925996 [0,1,0,0,0,0|1,0,2]=4 727 B18R0.3048 CC(C)(Br)C(=O)OCCOCCCCCCCCO 34a_100009817195_100000033203 [0,1,0,0,0,0|3,0,0]=4 728 B18R0.3048 CC(C)(Br)C(=O)OCCOCCCCCCCCO 7a_100009817195_100000033203 [0,1,0,0,0,0|3,0,0]=4 729 B18R0.3048 CC(C)(C)C(=O)CCCCCCCCCCCCO 1458a_106744555173_100009813331 [0,1,0,0,0,0|3,0,0]=4 730 B18R0.3048 CC(C)(C)C(=O)OCSCCCCCCCCCO 62a_100000032063_100009813782 [0,1,0,0,0,0|3,0,0]=4 731 B18R0.3048 CC(C)(C)C(=O)OCSCCCCCCCCCO 62a_100009813782_100000032063 [0,1,0,0,0,0|3,0,0]=4 732 B18R0.3048 CC(C)(F)C(=O)CCCCCCCCCCCCO 1458a_100000765255_100009813331 [0,1,0,0,0,0|3,0,0]=4 733 B18R0.3048 CC(C)(O)C(=O)CCCCCCCCCCCCO 1458a_100000242741_100009813331 [0,1,0,0,0,0|2,0,0]=3 734 B18R0.3048 CC(C)(O)C(=O)CCCCCCOCCCCCO 1458a_100000242741_200132310570 [0,1,0,0,0,0|3,0,0]=4 735 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)F 11a_100000210451_100000765255 [0,1,0,0,0,0|2,0,0]=3 736 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)F 1626a_100000210451_100000765255 [0,1,0,0,0,0|2,0,0]=3 737 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)F 240690a_100000210451_100000765255 [0,1,0,0,0,0|2,0,0]=3 738 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)F 527a_100000210451_100000765255 [0,1,0,0,0,0|2,0,0]=3 739 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)O 240690a_100000210451_100000242741 [0,1,0,0,0,0|1,0,0]=2 740 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(F)F 11a_100000210451_100000042251 [0,1,0,0,0,0|2,0,0]=3 741 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(F)F 1626a_100000210451_100000042251 [0,1,0,0,0,0|2,0,0]=3 742 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(F)F 240690a_100000210451_100000042251 [0,1,0,0,0,0|2,0,0]=3 743 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(F)F 527a_100000210451_100000042251 [0,1,0,0,0,0|2,0,0]=3 744 B18R0.3048 CCCCCCCCCCCCNC(=O)C(F)(F)F 11a_100000210451_100015355933 [0,1,0,0,0,0|3,0,0]=4 745 B18R0.3048 CCCCCCCCCCCCNC(=O)C(F)(F)F 1626a_100000210451_100015355933 [0,1,0,0,0,0|3,0,0]=4 746 B18R0.3048 CCCCCCCCCCCCNC(=O)C(F)(F)F 240690a_100000210451_100015355933 [0,1,0,0,0,0|3,0,0]=4 747 B18R0.3048 CCCCCCCCCCCCNC(=O)C(F)(F)F 527a_100000210451_100000210220 [0,1,0,0,0,0|3,0,0]=4 748 B18R0.3048 CCCCCCCCCCCCNC(C)C(C)(C)O 269862a_100000210451_100000747739 [0,1,0,0,0,0|2,0,1]=4 749 B18R0.3048 CCCCCCCCCCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100011215052 [0,1,0,0,0,0|2,0,1]=4 750 B18R0.3048 CCCCCCCCCCCNCC(=O)C(C)(C)C 34a_200011215754_100000229897 [0,1,0,0,0,0|3,0,0]=4 751 B18R0.3048 CCCCCCCCCNCCOC(=O)C(F)(F)F 34a_100000212291_200000066329 [0,1,0,0,0,0|3,0,0]=4 752 B18R0.3048 CCCCCCCCCOCCOC(=O)C(C)(C)Br 34a_100009817195_100011214924 [0,1,0,0,0,0|2,0,0]=3 753 B18R0.3048 CCCCCCCCCOCCOC(=O)C(C)(C)Br 7a_100009817195_100000210328 [0,1,0,0,0,0|2,0,0]=3 754 B18R0.3048 CCCCCCCCCOCCOC(=O)C(F)(F)F 34a_100000210712_200000066329 [0,1,0,0,0,0|3,0,0]=4 755 B18R0.3048 CCCCCCCCCSCCOC(=O)C(F)(F)F 62a_200000066329_100000210670 [0,1,0,0,0,0|3,0,0]=4 756 B18R0.3048 [2H]C([2H])([2H])C(=O)NCCCCCCCCCCCC 11a_100000210451_200015216371 [0,1,0,0,0,0|3,0,0]=4 757 B18R0.3048 [2H]C([2H])([2H])C(=O)NCCCCCCCCCCCC 1626a_100000210451_200015216371 [0,1,0,0,0,0|3,0,0]=4 758 B18R0.3048 [2H]C([2H])([2H])C(=O)NCCCCCCCCCCCC 240690a_100000210451_200015216371 [0,1,0,0,0,0|3,0,0]=4 759 B18R0.3048 [2H]C([2H])([2H])C(=O)NCCCCCCCCCCCC 527a_100000210451_200015216371 [0,1,0,0,0,0|3,0,0]=4 760 B18R0.3072 C=C(C)C(=O)OCCOC(C)CCCCCCCC 34a_100000210740_100009816335 [0,1,0,0,0,0|2,0,1]=4 761 B18R0.3072 C=C(C)C(=O)OCCOC(C)CCCCCCCC 7a_100000210740_100009816335 [0,1,0,0,0,0|2,0,1]=4 762 B18R0.3072 CCCCCCCCC(C)NCCNC(=O)C(C)C 270004a_100000752568_100011216694 [0,1,0,0,0,0|3,0,0]=4 763 B18R0.3150 CCCCCCCCCCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100011215052 [0,1,0,0,0,0|2,0,1]=4 764 B18R0.3150 CCCCCCCCCCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000759014 [0,1,0,0,0,0|2,0,1]=4 765 B18R0.3150 CCCCCCCCCCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011215052 [0,1,0,0,0,0|1,0,2]=4 766 B18R0.3150 CCCCCCCCCCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000759014 [0,1,0,0,0,0|1,0,2]=4 767 B18R0.3150 CCCCCCCCCCCCOC(CN)C(C)C 34a_100000759067_100000759014 [0,1,0,0,0,0|2,0,1]=4 768 B18R0.11632 C=C(C)C(=O)OCCC(=O)CCCCCCCCC 1458a_100000210558_100009816335 [0,1,0,0,0,0|1,0,2]=4 769 B18R0.11632 C=C(C)C(=O)OCCN(C)CCCCCCCCC 2230a_100000232482_100009816335 [0,1,0,0,0,0|2,0,1]=4 770 B18R0.11632 C=C(C)C(=O)OCCN(C)CCCCCCCCC 269982a_100000232482_100009816335 [0,1,0,0,0,0|2,0,1]=4 771 B18R0.15767 C=C(C)C(=O)OCCCCCCNCCC(C)CC 2230a_100020591266_200010402237 [0,1,0,0,0,0|2,0,1]=4 772 B18R0.15767 C=C(C)C(=O)OCCCCCCOCCC(C)CC 7a_100011215188_200010402237 [0,1,0,0,0,0|2,0,1]=4 773 B18R0.15767 COC(=O)CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009812566 [0,1,0,0,0,0|2,0,1]=4 774 B18R0.15767 COC(=O)CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009812566 [0,1,0,0,0,0|2,0,1]=4 775 B18R0.19339 C=C(C)C(=O)OCCCOC(C)CCCCCCC 7a_100000032641_200011218727 [0,1,0,0,0,0|2,0,1]=4 776 B18R0.19787 C=C(C)C(=O)N(C)CCCCCCCCCCCC 11a_100000227908_100000185857 [0,1,0,0,0,0|2,0,1]=4 777 B18R0.19787 C=C(C)C(=O)N(C)CCCCCCCCCCCC 1626a_100000227908_100000185857 [0,1,0,0,0,0|2,0,1]=4 778 B18R0.19787 CCCCCCCCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000759014 [0,1,0,0,0,0|3,0,0]=4 779 B18R0.19787 CCCCCCCCCCCCC(C)C(=O)C(O)O 1458a_100000233687_200011217028 [0,1,0,0,0,0|2,0,0]=3 780 B18R0.19787 CCCCCCCCCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011217028 [0,1,0,0,0,0|1,0,0]=2 781 B18R0.19787 CCCCCCCCCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011217028 [0,1,0,0,0,0|1,0,0]=2 782 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)F 11a_100000227908_100000062450 [0,1,0,0,0,0|2,0,0]=3 783 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)F 1626a_100000227908_100000062450 [0,1,0,0,0,0|2,0,0]=3 784 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)F 240690a_100000227908_100000062450 [0,1,0,0,0,0|2,0,0]=3 785 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)F 527a_100000227908_100000062450 [0,1,0,0,0,0|2,0,0]=3 786 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(F)F 11a_100000227908_100000210393 [0,1,0,0,0,0|3,0,0]=4 787 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(F)F 1626a_100000227908_100000210393 [0,1,0,0,0,0|3,0,0]=4 788 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(F)F 240690a_100000227908_100000210393 [0,1,0,0,0,0|3,0,0]=4 789 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(F)F 527a_100000227908_100000210393 [0,1,0,0,0,0|3,0,0]=4 790 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(O)O 240690a_100000227908_100000233687 [0,1,0,0,0,0|2,0,0]=3 791 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)[C@@H](C)O 240690a_100000227908_100000717761 [0,1,0,0,0,0|1,0,0]=2 792 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)[C@H](C)O 1626a_100000227908_217856618621 [0,1,0,0,0,0|1,0,0]=2 793 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)[C@H](C)O 240690a_100000227908_217856618621 [0,1,0,0,0,0|1,0,0]=2 794 B18R0.19787 CCCCCCCCCCCNC(C)C(=O)C(C)C 2230a_200011215754_100009893295 [0,1,0,0,0,0|3,0,0]=4 795 B18R0.19789 C=C(C)C(=O)OCC(C)OCCCCCCCCC 7a_100000061822_100000210328 [0,1,0,0,0,0|2,0,1]=4 796 B18R0.19789 C=C(C)C(=O)OCC(O)CNCCCCCCCC 34a_100000229939_100000037624 [0,1,0,0,0,0|2,0,1]=4 797 B18R0.19789 C=C(C)C(=O)OCC(O)COCCCCCCCC 34a_100000210232_100000037624 [0,1,0,0,0,0|2,0,1]=4 798 B18R0.19789 C=C(C)C(=O)OCC(O)COCCCCCCCC 7a_100000210232_100000037624 [0,1,0,0,0,0|2,0,1]=4 799 B18R0.19789 C=C(C)C(=O)OCC(O)CSCCCCCCCC 62a_100000037624_100000210317 [0,1,0,0,0,0|2,0,1]=4 800 B18R0.19789 C=C(C)C(=O)OCC(O)CSCCCCCCCC 62a_100000210759_100000037624 [0,1,0,0,0,0|2,0,1]=4 801 B18R0.19789 CC(C)C(=O)OCC(=O)CCCCCCCCCF 1458a_200009909015_100000139345 [0,1,0,0,0,0|2,0,1]=4 802 B18R0.19789 CCCCCCCCCCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210319 [0,1,0,0,0,0|2,0,1]=4 803 B18R0.19789 CCCCCCCCCCC(=O)COC(=O)C(C)C 1458a_100000210375_100000139345 [0,1,0,0,0,0|1,0,1]=3 804 B18R0.19789 CCCCCCCCOCC(=O)COC(=O)C(C)C 1458a_100000759886_100000139345 [0,1,0,0,0,0|2,0,1]=4 805 B18R0.19862 C=C(C)C(=O)OCCCCCCNC(C)CCCC 2230a_100000126638_200010402237 [0,1,0,0,0,0|2,0,1]=4 806 B18R0.19862 C=C(C)C(=O)OCCCCCCOC(C)CCCC 34a_100000687866_200010402237 [0,1,0,0,0,0|2,0,1]=4 807 B18R0.19862 C=C(C)C(=O)OCCCCCCOC(C)CCCC 7a_100000687866_200010402237 [0,1,0,0,0,0|2,0,1]=4 808 B18R0.19862 C=C(C)C(=O)OCCCCCCSC(C)CCCC 62a_200010402237_200011215066 [0,1,0,0,0,0|2,0,1]=4 809 B18R0.19862 C=C(C)C(=O)OCCCCCCSC(C)CCCC 62a_200011215066_200010402237 [0,1,0,0,0,0|2,0,1]=4 810 B18R0.19862 C=C(C)C(=O)OCCOCCCCC(C)CCCC 34a_200011021034_100009816335 [0,1,0,0,0,0|2,0,1]=4 811 B18R0.19862 C=C(C)C(=O)OCCOCCCCC(C)CCCC 7a_200011021034_100009816335 [0,1,0,0,0,0|2,0,1]=4 812 B18R0.19914 CCCCCCCCCCCCNS(=O)(=O)C(C)C 270084a_100000210451_100000742656 [0,1,0,0,0,0|3,0,0]=4 813 B18R0.19914 CCCCCCCCCCCCNS(=O)(=O)C(C)C 274078a_100000210451_100000742656 [0,1,0,0,0,0|3,0,0]=4 814 B18R0.20489 C=C(C)C(=O)OCCCCCCC(=O)CCCCC 1458a_100000212188_200010402237 [0,1,0,0,0,0|1,0,2]=4 815 B18R0.20489 C=C(C)C(=O)OCCCCCCN(C)CCCCC 2230a_100000223495_200010402237 [0,1,0,0,0,0|2,0,1]=4 816 B18R0.20489 C=C(C)C(=O)OCCCCCCN(C)CCCCC 269982a_100000223495_200010402237 [0,1,0,0,0,0|2,0,1]=4 817 B18R1.955 CCCCC1CCCC1NCCNC(=O)C(C)C 269862a_100000752568_100000750825 [0,0,0,1,0,0|3,0,0]=4 818 B18R1.955 CCCCC1CCCC1NCCNC(=O)C(C)C 270004a_100000752568_100000750825 [0,0,0,1,0,0|3,0,0]=4 819 B18R1.4457 C=C(C)C(=O)OCCCCCCNC1CCCC1 2230a_100000211070_200010402237 [0,0,0,1,0,0|2,0,1]=4 820 B18R1.4457 C=C(C)C(=O)OCCCCCCNC1CCCC1 34a_100000211070_200010402237 [0,0,0,1,0,0|2,0,1]=4 821 B18R1.4457 C=C(C)C(=O)OCCCCCCOC1CCCC1 34a_100000210269_200010402237 [0,0,0,1,0,0|2,0,1]=4 822 B18R1.4457 C=C(C)C(=O)OCCCCCCOC1CCCC1 7a_100000210269_200010402237 [0,0,0,1,0,0|2,0,1]=4 823 B18R1.4457 C=C(C)C(=O)OCCCCCCSC1CCCC1 62a_100011217020_200010402237 [0,0,0,1,0,0|2,0,1]=4 824 B18R1.4457 C=C(C)C(=O)OCCCCCCSC1CCCC1 62a_200010402237_100000179811 [0,0,0,1,0,0|2,0,1]=4 825 B18R1.4457 C=C(C)C(=O)OCCCCOCCC1CCCC1 7a_100000065474_100000760354 [0,0,0,1,0,0|2,0,1]=4 826 B18R1.4457 C=C(C)C(=O)OCCCOCCCC1CCCC1 7a_100000032641_100011713738 [0,0,0,1,0,0|2,0,1]=4 827 B18R1.4475 C=C(C)C(=O)OCCCCOCC1CCCCC1 7a_100000065474_100000211423 [0,0,0,1,0,0|2,0,1]=4 828 B18R1.4475 C=C(C)C(=O)OCCCOCCC1CCCCC1 7a_100000032641_100011273959 [0,0,0,1,0,0|2,0,1]=4 829 B18R1.4475 C=C(C)C(=O)OCCNCCCC1CCCCC1 2230a_100011211642_100009816335 [0,0,0,1,0,0|2,0,1]=4 830 B18R1.4475 C=C(C)C(=O)OCCNCCCC1CCCCC1 34a_100011211642_100009816335 [0,0,0,1,0,0|2,0,1]=4 831 B18R1.4475 C=C(C)C(=O)OCCOCCCC1CCCCC1 34a_100000198086_100009816335 [0,0,0,1,0,0|2,0,1]=4 832 B18R1.4475 C=C(C)C(=O)OCCOCCCC1CCCCC1 7a_100000198086_100009816335 [0,0,0,1,0,0|2,0,1]=4 833 B18R1.4475 C=C(C)C(=O)OCCSCCCC1CCCCC1 62a_100009816335_100011713725 [0,0,0,1,0,0|2,0,1]=4 834 B18R1.4475 C=C(C)C(=O)OCCSCCCC1CCCCC1 62a_100011713725_100009816335 [0,0,0,1,0,0|2,0,1]=4 835 B18R1.4475 CC(C)C(=O)NCCNCCCC1CCCCC1 2230a_100000752568_100011713725 [0,0,0,1,0,0|3,0,0]=4 836 B18R1.4475 CC(C)C(=O)NCCNCCCC1CCCCC1 34a_100000752568_100011713725 [0,0,0,1,0,0|3,0,0]=4 837 B18R1.4475 C[C@@H](O)C(=O)CCCCCCOC1CCCCO1 1458a_100000717761_100000033462 [0,0,0,1,0,0|3,0,0]=4 838 B18R1.4475 C[C@H](O)C(=O)CCCCCCOC1CCCCO1 1458a_217856618621_100000033462 [0,0,0,1,0,0|3,0,0]=4 839 B18R1.4936 C=C(C)C(=O)OCCOC1CCCCC1CCC 34a_100011217265_100009816335 [0,0,0,1,0,0|2,0,1]=4 840 B18R1.4936 C=C(C)C(=O)OCCOC1CCCCC1CCC 7a_100011217265_100009816335 [0,0,0,1,0,0|2,0,1]=4 841 B18R1.4936 CCCC1CCCCC1NCCNC(=O)C(C)C 269862a_100000752568_100011218038 [0,0,0,1,0,0|3,0,0]=4 842 B18R1.4936 CCCC1CCCCC1NCCNC(=O)C(C)C 270004a_100000752568_100011218038 [0,0,0,1,0,0|3,0,0]=4 843 B18R1.10498 C=C(C)C(=O)OCCCCCCN1CCC[C@@H]1C 2230a_100020605311_200010402237 [0,0,0,1,0,0|2,0,1]=4 844 B18R1.10498 C=C(C)C(=O)OCCCCCCN1CCC[C@@H]1C 269982a_100020605311_200010402237 [0,0,0,1,0,0|2,0,1]=4 845 B18R1.10498 C=C(C)C(=O)OCCCCCCN1CCC[C@H]1C 2230a_100015189458_200010402237 [0,0,0,1,0,0|2,0,1]=4 846 B18R1.10498 C=C(C)C(=O)OCCCCCCN1CCC[C@H]1C 269982a_100015189458_200010402237 [0,0,0,1,0,0|2,0,1]=4 847 B18R1.10498 C=C(C)C(=O)OCCCCCCN1CCC[C@H]1C 34a_100015189458_200010402237 [0,0,0,1,0,0|2,0,1]=4 848 B18R1.13446 CCCCCCCCCN1CCNC(=O)C1(C)C 2230a_100000751695_100011214924 [0,0,0,1,0,0|3,0,0]=4 849 B18R1.13446 CCCCCCCCCN1CCNC(=O)C1(C)C 269982a_100000751695_100000210670 [0,0,0,1,0,0|3,0,0]=4 850 B18R1.13446 CCCCCCCCCN1CCNC(=O)C1(C)C 34a_100000751695_100011214924 [0,0,0,1,0,0|3,0,0]=4 851 B18R1.13810 C=C(C)C(=O)OCCCCCCOCC1CC1C 34a_100000744939_200010402237 [0,0,0,1,0,0|2,0,1]=4 852 B18R1.13810 C=C(C)C(=O)OCCCCCCOCC1CC1C 7a_100000744939_200010402237 [0,0,0,1,0,0|2,0,1]=4 853 B18R1.17254 C[C@@H](O)C(=O)C1CCCCCCCCCCC1=O 1458a_100000717761_200009990614 [0,0,0,1,0,0|2,0,1]=4 854 B18R1.17254 C[C@H](O)C(=O)C1CCCCCCCCCCC1=O 1458a_217856618621_200009990614 [0,0,0,1,0,0|2,0,1]=4 855 B18R1.34999 CCCCCCCCCCNC1C=C(C(=O)O1)C 2230a_100000684558_200009893386 [0,0,0,1,0,0|2,0,1]=4 856 B18R1.34999 CCCCCCCCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210320 [0,0,0,1,0,0|2,0,1]=4 857 B18R1.40557 CCCCCCCCCCc1noc(n1)[C@@H](C)O 270196a_200011216699_100000717761 [0,0,0,1,0,0|2,0,1]=4 858 B18R1.40557 CCCCCCCCCCc1noc(n1)[C@H](C)O 270196a_200011216699_217856618621 [0,0,0,1,0,0|2,0,1]=4 859 B18R1.49730 C=CCCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_102130925996 [0,0,0,1,0,0|1,0,2]=4 860 B18R1.49730 CCCCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210684 [0,0,0,1,0,0|1,0,0]=2 861 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CC1 11a_100000210451_100000210395 [0,0,0,1,0,0|2,0,0]=3 862 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CC1 1626a_100000210451_100000210395 [0,0,0,1,0,0|2,0,0]=3 863 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CC1 240690a_100000210451_100000210395 [0,0,0,1,0,0|2,0,0]=3 864 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CC1 527a_100000210451_100000210395 [0,0,0,1,0,0|2,0,0]=3 865 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CO1 11a_100000210451_100000701028 [0,0,0,1,0,0|1,0,0]=2 866 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CO1 1626a_100000210451_100000701028 [0,0,0,1,0,0|1,0,0]=2 867 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CO1 240690a_100000210451_100000701028 [0,0,0,1,0,0|1,0,0]=2 868 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CO1 527a_100000210451_100000701028 [0,0,0,1,0,0|1,0,0]=2 869 B18R1.49730 CCCCCCCCCCCCNC(C)C1CO1 270004a_100000210451_100000031964 [0,0,0,1,0,0|2,0,1]=4 870 B18R1.49730 CCCCCCCCCCCNCC(=O)C1CC1 2230a_200011215754_100000746382 [0,0,0,1,0,0|3,0,0]=4 871 B18R1.49730 CCCCCCCCCCCNCC(=O)C1CC1 34a_200011215754_100000746382 [0,0,0,1,0,0|3,0,0]=4 872 B18R1.49730 CCCCCCCCCCCOCC(=O)C1CC1 34a_100000210809_100000746382 [0,0,0,1,0,0|3,0,0]=4 873 B18R1.49730 CCCCCCCCCCCOCC(=O)C1CC1 34a_100000686663_100011215454 [0,0,0,1,0,0|3,0,0]=4 874 B18R1.49730 CCCCCCCCCCCOCC(=O)C1CC1 7a_100000210809_100000746382 [0,0,0,1,0,0|3,0,0]=4 875 B18R1.49730 CCCCCCCCCCNCOC(=O)C1CC1 2230a_100000684558_100000140896 [0,0,0,1,0,0|2,0,0]=3 876 B18R1.49730 CCCCCCCCCCNCOC(=O)C1CC1 34a_100000684558_100000140896 [0,0,0,1,0,0|2,0,0]=3 877 B18R1.49730 CCCCCCCCCCOCOC(=O)C1CC1 34a_100000210711_100000140896 [0,0,0,1,0,0|2,0,0]=3 878 B18R1.49730 CCCCCCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210320 [0,0,0,1,0,0|2,0,0]=3 879 B18R1.49730 NCCCCCCCCCOCOC(=O)C1CC1 34a_100000078944_100000140896 [0,0,0,1,0,0|3,0,0]=4 880 B18R1.49730 O=C(CCCCCCCCCCCCO)C1CC1 1458a_100000210395_100009813331 [0,0,0,1,0,0|3,0,0]=4 881 B18R1.49730 O=C(CCCCCCCCCCCCO)C1CO1 1458a_100000701028_100009813331 [0,0,0,1,0,0|2,0,0]=3 882 B18R1.49730 O=C(CCCCCCOCCCCCO)C1CO1 1458a_100000701028_200132310570 [0,0,0,1,0,0|3,0,0]=4 883 B18R1.49730 O=C(OCNCCCCCCCCCO)C1CC1 2230a_100000078944_100000140896 [0,0,0,1,0,0|3,0,0]=4 884 B18R1.49730 O=C(OCNCCCCCCCCCO)C1CC1 34a_100000078944_100000140896 [0,0,0,1,0,0|3,0,0]=4 885 B18R1.49730 O=C(OCOCCCCCCCCCBr)C1CC1 34a_100009813782_100000140896 [0,0,0,1,0,0|3,0,0]=4 886 B18R1.49730 O=C(OCOCCCCCCCCCCl)C1CC1 34a_100009868337_100000140896 [0,0,0,1,0,0|3,0,0]=4 887 B18R1.49730 O=C(OCSCCCCCCCCCO)C1CC1 62a_100000140896_100009813782 [0,0,0,1,0,0|3,0,0]=4 888 B18R1.49730 O=C(OCSCCCCCCCCCO)C1CC1 62a_100009813782_100000140896 [0,0,0,1,0,0|3,0,0]=4 889 B18R1.52659 C=C(C)C(=O)OCCCCCCNCCC1CC1 34a_100000764129_200010402237 [0,0,0,1,0,0|2,0,1]=4 890 B18R1.52659 C=C(C)C(=O)OCCCCCCOCCC1CC1 34a_100000754188_200010402237 [0,0,0,1,0,0|2,0,1]=4 891 B18R1.52659 C=C(C)C(=O)OCCCCCCOCCC1CC1 7a_100000754188_200010402237 [0,0,0,1,0,0|2,0,1]=4 892 B18R1.52659 C=C(C)C(=O)OCCCCCCSCCC1CC1 62a_100000764125_200010402237 [0,0,0,1,0,0|2,0,1]=4 893 B18R1.52659 C=C(C)C(=O)OCCCCCCSCCC1CC1 62a_200010402237_100000764125 [0,0,0,1,0,0|2,0,1]=4 894 B18R1.52682 C=C(C)C(=O)OCCCOCC1CCCCCC1 7a_100000032641_200000696569 [0,0,0,1,0,0|2,0,1]=4 895 B18R1.52682 C=C(C)C(=O)OCCNCCC1CCCCCC1 2230a_100011532351_100009816335 [0,0,0,1,0,0|2,0,1]=4 896 B18R1.52682 C=C(C)C(=O)OCCNCCC1CCCCCC1 34a_100011532351_100009816335 [0,0,0,1,0,0|2,0,1]=4 897 B18R1.52728 C=C(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000185857 [0,0,0,1,0,0|2,0,1]=4 898 B18R1.52728 C=C(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000185857 [0,0,0,1,0,0|2,0,1]=4 899 B18R1.52728 CC(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000210198 [0,0,0,1,0,0|2,0,0]=3 900 B18R1.52728 CC(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000210198 [0,0,0,1,0,0|2,0,0]=3 901 B18R1.52728 CC(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000210198 [0,0,0,1,0,0|2,0,0]=3 902 B18R1.52728 CC(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000210198 [0,0,0,1,0,0|2,0,0]=3 903 B18R1.52728 CC(F)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000062450 [0,0,0,1,0,0|2,0,0]=3 904 B18R1.52728 CC(F)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000062450 [0,0,0,1,0,0|2,0,0]=3 905 B18R1.52728 CC(F)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000062450 [0,0,0,1,0,0|2,0,0]=3 906 B18R1.52728 CC(F)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000062450 [0,0,0,1,0,0|2,0,0]=3 907 B18R1.52728 CN(C)C(=O)NC1CCCCCCCCCCC1 2708a_100011194316_100102631434 [0,0,0,1,0,0|3,0,0]=4 908 B18R1.52728 C[C@@H](O)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000717761 [0,0,0,1,0,0|1,0,0]=2 909 B18R1.52728 C[C@H](O)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_217856618621 [0,0,0,1,0,0|1,0,0]=2 910 B18R1.52728 C[C@H](O)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_217856618621 [0,0,0,1,0,0|1,0,0]=2 911 B18R1.52728 O=C(NC1CCCCCCCCCCC1)C(F)F 11a_100011194316_100000210393 [0,0,0,1,0,0|3,0,0]=4 912 B18R1.52728 O=C(NC1CCCCCCCCCCC1)C(F)F 1626a_100011194316_100000210393 [0,0,0,1,0,0|3,0,0]=4 913 B18R1.52728 O=C(NC1CCCCCCCCCCC1)C(F)F 240690a_100011194316_100000210393 [0,0,0,1,0,0|3,0,0]=4 914 B18R1.52728 O=C(NC1CCCCCCCCCCC1)C(F)F 527a_100011194316_100000210393 [0,0,0,1,0,0|3,0,0]=4 915 B18R1.52728 O=C(NC1CCCCCCCCCCC1)C(O)O 240690a_100011194316_100000233687 [0,0,0,1,0,0|2,0,0]=3 916 B18R1.52811 C=C(C)C(=O)OCCCCCCNCC1CCC1 2230a_100000738700_200010402237 [0,0,0,1,0,0|2,0,1]=4 917 B18R1.52811 C=C(C)C(=O)OCCCCCCNCC1CCC1 34a_100000738700_200010402237 [0,0,0,1,0,0|2,0,1]=4 918 B18R1.52811 C=C(C)C(=O)OCCCCCCOCC1CCC1 34a_100000760304_200010402237 [0,0,0,1,0,0|2,0,1]=4 919 B18R1.52811 C=C(C)C(=O)OCCCCCCSCC1CCC1 62a_100000763275_200010402237 [0,0,0,1,0,0|2,0,1]=4 920 B18R1.52811 C=C(C)C(=O)OCCCCCCSCC1CCC1 62a_200010402237_100000763275 [0,0,0,1,0,0|2,0,1]=4 921 B18R1.52838 C=C(C)C(=O)OCCOCC1CCCCCCC1 34a_100011216312_100009816335 [0,0,0,1,0,0|2,0,1]=4 922 B18R1.52838 C=C(C)C(=O)OCCOCC1CCCCCCC1 7a_100011216312_100009816335 [0,0,0,1,0,0|2,0,1]=4 923 B18R1.177008 CC(C)C(=O)NCCNC1CCCCCCCC1 270004a_100000752568_100000038600 [0,0,0,1,0,0|3,0,0]=4 924 B18R1.180547 CCCCCCCCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011215052 [0,0,0,1,0,0|2,0,1]=4 925 B18R1.180547 CCCCCCCCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000759014 [0,0,0,1,0,0|2,0,1]=4 926 B18R1.180547 CCCCCCCCCCCCN1C[C@@H]([C@@H]1C)O 270004a_206633788156_100011218549 [0,0,0,1,0,0|2,0,1]=4 927 B18R0.220 C=CCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_102130925996 [0,0,0,0,0,1|1,0,2]=4 928 B18R0.220 CC(C)CC(=O)CCCCCCCCCCCCO 1458a_100000210554_100009813331 [0,0,0,0,0,1|3,0,0]=4 929 B18R0.220 CC(C)NC(=O)CCCCCCCCCCCCO 240690a_100138425928_100102582631 [0,0,0,0,0,1|3,0,0]=4 930 B18R0.220 CC(C)OC(=O)OCSCCCCCCCCCO 62a_100000003507_100009813782 [0,0,0,0,0,1|3,0,0]=4 931 B18R0.220 CC(C)OC(=O)OCSCCCCCCCCCO 62a_100009813782_100000003507 [0,0,0,0,0,1|3,0,0]=4 932 B18R0.220 CCCCCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210684 [0,0,0,0,0,1|3,0,0]=4 933 B18R0.220 CCCCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210684 [0,0,0,0,0,1|3,0,0]=4 934 B18R0.220 CCCCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210684 [0,0,0,0,0,1|3,0,0]=4 935 B18R0.220 CCCCCCCCCCCCCN(C)CC(C)O 270004a_100000227577_200011215488 [0,0,0,0,0,1|3,0,0]=4 936 B18R0.220 CCCCCCCCCCCCNC(=O)C=C(C)C 11a_100000210451_100000211388 [0,0,0,0,0,1|2,0,1]=4 937 B18R0.220 CCCCCCCCCCCCNC(=O)C=C(C)C 1626a_100000210451_100000211388 [0,0,0,0,0,1|2,0,1]=4 938 B18R0.220 CCCCCCCCCCCCNC(=O)C=C(C)C 240690a_100000210451_100000211388 [0,0,0,0,0,1|2,0,1]=4 939 B18R0.220 CCCCCCCCCCCCNC(=O)CN(C)C 11a_100000210451_100000750896 [0,0,0,0,0,1|3,0,0]=4 940 B18R0.220 CCCCCCCCCCCCNC(=O)CN(C)C 240690a_100000210451_100000750896 [0,0,0,0,0,1|3,0,0]=4 941 B18R0.220 CCCCCCCCCCCCNC(=O)CN(C)C 527a_100000210451_100000750896 [0,0,0,0,0,1|3,0,0]=4 942 B18R0.220 CCCCCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000210451_100011933948 [0,0,0,0,0,1|1,0,0]=2 943 B18R0.220 CCCCCCCCCCCCNC(=O)C[S+](C)C 11a_100000210451_200159257847 [0,0,0,0,0,1|3,0,0]=4 944 B18R0.220 CCCCCCCCCCCCNC(=O)C[S+](C)C 1626a_100000210451_200159257847 [0,0,0,0,0,1|3,0,0]=4 945 B18R0.220 CCCCCCCCCCCCNC(=O)C[S+](C)C 240690a_100000210451_200159257847 [0,0,0,0,0,1|3,0,0]=4 946 B18R0.220 CCCCCCCCCCCCNC(=O)C[S+](C)C 527a_100000210451_200159257847 [0,0,0,0,0,1|3,0,0]=4 947 B18R0.220 CCCCCCCCCCCCNC(=O)NC(C)C 2708a_100000210451_100138425928 [0,0,0,0,0,1|2,0,0]=3 948 B18R0.220 CCCCCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210451 [0,0,0,0,0,1|2,0,0]=3 949 B18R0.220 CCCCCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210451 [0,0,0,0,0,1|2,0,0]=3 950 B18R0.220 CCCCCCCCCCCCNC(=O)NC(C)C 512a_100000210451_100138425928 [0,0,0,0,0,1|2,0,0]=3 951 B18R0.220 CCCCCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000210451 [0,0,0,0,0,1|2,0,0]=3 952 B18R0.220 CCCCCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100011215454 [0,0,0,0,0,1|3,0,0]=4 953 B18R0.220 CCCCCCCCCCCNCC(=O)NC(C)C 2230a_200011215754_100000183996 [0,0,0,0,0,1|3,0,0]=4 954 B18R0.220 CCCCCCCCCCCNCC(=O)NC(C)C 34a_200011215754_100000183996 [0,0,0,0,0,1|3,0,0]=4 955 B18R0.220 CCCCCCCCCCCNCC(=O)OC(C)C 2230a_200011215754_100011215430 [0,0,0,0,0,1|3,0,0]=4 956 B18R0.220 CCCCCCCCCCCNCC(=O)OC(C)C 34a_200011215754_100011215430 [0,0,0,0,0,1|3,0,0]=4 957 B18R0.220 CCCCCCCCCCCOCC(=O)NC(C)C 34a_100000210809_100000183996 [0,0,0,0,0,1|3,0,0]=4 958 B18R0.220 CCCCCCCCCCCOCC(=O)NC(C)C 7a_100000210809_100000183996 [0,0,0,0,0,1|3,0,0]=4 959 B18R0.220 CCCCCCCCCCCOCC(=O)OC(C)C 34a_100000210809_100011215430 [0,0,0,0,0,1|3,0,0]=4 960 B18R0.220 CCCCCCCCCCCOCC(=O)OC(C)C 7a_100000210809_100011215430 [0,0,0,0,0,1|3,0,0]=4 961 B18R0.220 CCCCCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100011215454 [0,0,0,0,0,1|3,0,0]=4 962 B18R0.220 CCCCCCCCCCNCCC(=O)NC(C)C 2230a_100000684558_100000737564 [0,0,0,0,0,1|3,0,0]=4 963 B18R0.220 CCCCCCCCCCNCCC(=O)OC(C)C 2230a_100000684558_100000760027 [0,0,0,0,0,1|3,0,0]=4 964 B18R0.220 CCCCCCCCCCOCCC(=O)NC(C)C 7a_100000210711_100000737564 [0,0,0,0,0,1|3,0,0]=4 965 B18R0.220 CCCCCCCCCCOCCC(=O)OC(C)C 7a_100000210711_100000760027 [0,0,0,0,0,1|3,0,0]=4 966 B18R0.220 CCCCCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210320 [0,0,0,0,0,1|3,0,0]=4 967 B18R0.220 CCCCCCCCCNCCOC(=O)CC(=O)C 34a_100000212291_100000102702 [0,0,0,0,0,1|1,0,2]=4 968 B18R0.220 CCCCCCCCCOCCOC(=O)CC(=O)C 34a_100000210712_100000102702 [0,0,0,0,0,1|1,0,2]=4 969 B18R0.220 CCCCCCCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210670 [0,0,0,0,0,1|1,0,2]=4 970 B18R0.220 CCCCCCCNCCCCCC(=O)OC(C)C 2230a_100000229938_200010986244 [0,0,0,0,0,1|3,0,0]=4 971 B18R0.220 CCCCCCCOCCCCCC(=O)OC(C)C 34a_100000210272_200010986244 [0,0,0,0,0,1|3,0,0]=4 972 B18R0.220 CCCCCCCOCCCCCC(=O)OC(C)C 7a_100000210272_200010986244 [0,0,0,0,0,1|3,0,0]=4 973 B18R0.220 C[C@@H](O)CC(=O)CCCCCCCCCCCCO 1458a_100011933948_100009813331 [0,0,0,0,0,1|2,0,0]=3 974 B18R0.220 C[C@@H](O)CC(=O)CCCCCCOCCCCCO 1458a_100011933948_200132310570 [0,0,0,0,0,1|3,0,0]=4 975 B15R0.70 CC/C=C\CCCCCCCNCCCC 269862a_100000102301_200025770492 [2,0,0,0,0,0|2,0,0]=4 976 B15R0.70 CC/C=C\CCCCCNCCCCCC 269862a_100000210581_100016288537 [2,0,0,0,0,0|2,0,0]=4 977 B15R0.70 CC/C=C\CCNCCCCCCCCC 2230a_100000212291_100015370543 [2,0,0,0,0,0|2,0,0]=4 978 B15R0.70 CC/C=C\CCNCCCCCCCCC 34a_100000212291_100015370543 [2,0,0,0,0,0|2,0,0]=4 979 B15R0.70 CC/C=C\CNCCCCCCCCCC 2230a_100000684558_100103147603 [2,0,0,0,0,0|2,0,0]=4 980 B15R0.70 CC/C=C\CNCCCCCCCCCC 34a_100000684558_100103147603 [2,0,0,0,0,0|2,0,0]=4 981 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100011215765_100000210202 [2,0,0,0,0,0|2,0,0]=4 982 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100015525214_100000210684 [2,0,0,0,0,0|2,0,0]=4 983 B15R0.70 CCCCCCCCCCCCCNCC 270004a_100015525214_200011215488 [2,0,0,0,0,0|2,0,0]=4 984 B15R0.70 CCCCCCCCCCCCCNCC 34a_100011215765_100000210202 [2,0,0,0,0,0|2,0,0]=4 985 B15R0.70 CCCCCCCCCCCCNCCC 2230a_100000210451_100000210303 [2,0,0,0,0,0|1,0,1]=4 986 B15R0.70 CCCCCCCCCCCCNCCC 270004a_100020643023_100011218549 [2,0,0,0,0,0|1,0,1]=4 987 B15R0.70 CCCCCCCCCCCCNCCC 34a_100000210451_100000210303 [2,0,0,0,0,0|1,0,1]=4 988 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100000210451_100000211926 [2,0,0,0,0,0|1,0,1]=4 989 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100016997473_100011215052 [2,0,0,0,0,0|1,0,1]=4 990 B15R0.70 CCCCCCCCCCCCNCCO 270004a_100000210304_100011218549 [2,0,0,0,0,0|1,0,1]=4 991 B15R0.70 CCCCCCCCCCCCNCCO 34a_100000210451_100000211926 [2,0,0,0,0,0|1,0,1]=4 992 B15R0.70 CCCCCCCCCCCCNCCO 34a_100016990907_100000759014 [2,0,0,0,0,0|1,0,1]=4 993 B15R0.70 CCCCCCCCCCCCOCCF 34a_100000210810_100011217306 [2,0,0,0,0,0|1,0,1]=4 994 B15R0.70 CCCCCCCCCCCCOCCF 7a_100000210810_100011217306 [2,0,0,0,0,0|1,0,1]=4 995 B15R0.70 CCCCCCCCCCCCOCCN 34a_100000210304_100000759014 [2,0,0,0,0,0|1,0,1]=4 996 B15R0.70 CCCCCCCCCCCCOCCO 34a_100000210810_100000211926 [2,0,0,0,0,0|0,0,1]=3 997 B15R0.70 CCCCCCCCCCCCOCCO 7a_100000210810_100000211926 [2,0,0,0,0,0|0,0,1]=3 998 B15R0.70 CCCCCCCCCCCCSCCO 62a_100000211926_100000759014 [2,0,0,0,0,0|0,1,1]=4 999 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100000212291_100011215938 [2,0,0,0,0,0|1,0,1]=4 1000 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100161115042_100011214924 [2,0,0,0,0,0|1,0,1]=4 1001 B15R0.70 CCCCCCCCCNCCOCCC 34a_100000212291_100011215938 [2,0,0,0,0,0|1,0,1]=4 1002 B15R0.70 CCCCCCCCCNCCOCCC 34a_100161115042_100011214924 [2,0,0,0,0,0|1,0,1]=4 1003 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000211614_100011214924 [2,0,0,0,0,0|1,0,1]=4 1004 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000212291_100011215305 [2,0,0,0,0,0|1,0,1]=4 1005 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000211614_100011214924 [2,0,0,0,0,0|1,0,1]=4 1006 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000212291_100000692535 [2,0,0,0,0,0|1,0,1]=4 1007 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000210712_100011215938 [2,0,0,0,0,0|1,0,1]=4 1008 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000752267_100011214924 [2,0,0,0,0,0|1,0,1]=4 1009 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000210712_100011215938 [2,0,0,0,0,0|1,0,1]=4 1010 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000752267_100000210328 [2,0,0,0,0,0|1,0,1]=4 1011 B15R0.70 CCCCCCCCCOCCOCCO 34a_100000210712_100000692535 [2,0,0,0,0,0|1,0,1]=4 1012 B15R0.70 CCCCCCCCCOCCOCCO 7a_100000210712_100011215305 [2,0,0,0,0,0|1,0,1]=4 1013 B15R0.70 CCCCCCCCCSCCOCCC 62a_100011215938_100000210670 [2,0,0,0,0,0|1,0,1]=4 1014 B15R0.70 CCCCCCCCCSCCOCCO 62a_100011215305_100000210670 [2,0,0,0,0,0|1,0,1]=4 1015 B15R0.70 CCCCCCCCNCCCOCCC 2230a_100011217757_100000210759 [2,0,0,0,0,0|1,0,1]=4 1016 B15R0.70 CCCCCCCCNCCCOCCC 34a_100011217757_100000210759 [2,0,0,0,0,0|1,0,1]=4 1017 B15R0.70 CCCOCCCCCCCCCCCO 34a_100000210258_100009812471 [2,0,0,0,0,0|1,0,1]=4 1018 B15R0.70 CCCOCCCCCCCCCOCC 34a_100009875440_100000210303 [2,0,0,0,0,0|1,0,1]=4 1019 B15R0.70 CCCOCCCCCCCCCOCC 7a_100009875440_100000210303 [2,0,0,0,0,0|1,0,1]=4 1020 B15R0.70 CCOCCCCCCCCCOCCO 34a_100009875440_100000211926 [2,0,0,0,0,0|1,0,1]=4 1021 B15R0.70 CCOCCCCCCCCCOCCO 7a_100009875440_100000211926 [2,0,0,0,0,0|1,0,1]=4 1022 B15R0.70 OCCOCCCCCCCCCCCBr 34a_100009812471_100000211926 [2,0,0,0,0,0|1,0,1]=4 1023 B15R0.70 OCCOCCCCCCCCCCCBr 7a_100009812471_100000211926 [2,0,0,0,0,0|1,0,1]=4 1024 B15R0.81 C#CC(=O)CCCCCCCCCCCC 1458a_100000211873_100000759014 [2,0,0,0,0,0|0,0,2]=4 1025 B15R0.81 C=CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011093070 [2,0,0,0,0,0|0,0,2]=4 1026 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [2,0,0,0,0,0|1,0,0]=3 1027 B15R0.81 CCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747405 [2,0,0,0,0,0|2,0,0]=4 1028 B15R0.81 CCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747405 [2,0,0,0,0,0|2,0,0]=4 1029 B15R0.81 CCC(=O)COCCCCCCCCCO 34a_100000725409_100009813782 [2,0,0,0,0,0|2,0,0]=4 1030 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100000747405_100009813782 [2,0,0,0,0,0|2,0,0]=4 1031 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747405 [2,0,0,0,0,0|2,0,0]=4 1032 B15R0.81 CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210414 [2,0,0,0,0,0|2,0,0]=4 1033 B15R0.81 CCC(=O)OCCOCCCCCCCO 7a_200000031056_100000760002 [2,0,0,0,0,0|2,0,0]=4 1034 B15R0.81 CCC(=O)OCCOCCCCCCOC 7a_200000031056_100011998445 [2,0,0,0,0,0|2,0,0]=4 1035 B15R0.81 CCCCC#CCCCCCCC(=O)CC 1458a_100000210414_200000043322 [2,0,0,0,0,0|0,0,2]=4 1036 B15R0.81 CCCCC#CCCCCCCC(=O)CO 1458a_100000210174_200000043322 [2,0,0,0,0,0|0,0,2]=4 1037 B15R0.81 CCCCCCCCCCCCC(=O)CF 1458a_100011215791_100015361967 [2,0,0,0,0,0|1,0,0]=3 1038 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [2,0,0,0,0,0|0,0,0]=2 1039 B15R0.81 CCCCCCCCCCCCC(=O)NC 11a_106832991635_100011215791 [2,0,0,0,0,0|1,0,0]=3 1040 B15R0.81 CCCCCCCCCCCCC(=O)NC 1626a_100102657272_100011215791 [2,0,0,0,0,0|1,0,0]=3 1041 B15R0.81 CCCCCCCCCCCCC(=O)NC 240690a_100102657272_100011215791 [2,0,0,0,0,0|1,0,0]=3 1042 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000225621_100011215052 [2,0,0,0,0,0|2,0,0]=4 1043 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000227908_100000210202 [2,0,0,0,0,0|2,0,0]=4 1044 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000225621_100000759014 [2,0,0,0,0,0|2,0,0]=4 1045 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000227908_100000204670 [2,0,0,0,0,0|2,0,0]=4 1046 B15R0.81 CCCCCCCCCCCNC(=O)CC 11a_200011215754_100000210414 [2,0,0,0,0,0|1,0,0]=3 1047 B15R0.81 CCCCCCCCCCCNC(=O)CC 1626a_200011215754_100000210414 [2,0,0,0,0,0|1,0,0]=3 1048 B15R0.81 CCCCCCCCCCCNC(=O)CC 240690a_200011215754_100000210414 [2,0,0,0,0,0|1,0,0]=3 1049 B15R0.81 CCCCCCCCCCCNC(=O)CC 527a_200011215754_100000210414 [2,0,0,0,0,0|1,0,0]=3 1050 B15R0.81 CCCCCCCCCCCNC(=O)CO 240690a_200011215754_100000210174 [2,0,0,0,0,0|1,0,0]=3 1051 B15R0.81 CCCCCCCCCCCNC(=O)CO 527a_200011215754_100000210174 [2,0,0,0,0,0|1,0,0]=3 1052 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_100102657272_200011215754 [2,0,0,0,0,0|2,0,0]=4 1053 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_200011215754_106832991635 [2,0,0,0,0,0|2,0,0]=4 1054 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_100102657272_200011215754 [2,0,0,0,0,0|2,0,0]=4 1055 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_200011215754_100102657272 [2,0,0,0,0,0|2,0,0]=4 1056 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_106832991638_200011215754 [2,0,0,0,0,0|2,0,0]=4 1057 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_200011215754_100102657272 [2,0,0,0,0,0|2,0,0]=4 1058 B15R0.81 CCCCCCCCCCCOC(C)CO 34a_100000210809_100012180447 [2,0,0,0,0,0|1,0,1]=4 1059 B15R0.81 CCCCCCCCCCCOC(C)CO 7a_100000210809_100012180447 [2,0,0,0,0,0|1,0,1]=4 1060 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000684558_100000183359 [2,0,0,0,0,0|2,0,0]=4 1061 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210320 [2,0,0,0,0,0|2,0,0]=4 1062 B15R0.81 CCCCCCCCCCNCC(=O)NC 34a_100000684558_100000183359 [2,0,0,0,0,0|2,0,0]=4 1063 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [2,0,0,0,0,0|2,0,0]=4 1064 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [2,0,0,0,0,0|2,0,0]=4 1065 B15R0.81 CCCCCCCCCCOCC(=O)CC 34a_100000725409_100000210320 [2,0,0,0,0,0|1,0,0]=3 1066 B15R0.81 CCCCCCCCCCOCC(=O)CC 7a_100000210711_100000747405 [2,0,0,0,0,0|1,0,0]=3 1067 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000210711_100000183359 [2,0,0,0,0,0|2,0,0]=4 1068 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210320 [2,0,0,0,0,0|2,0,0]=4 1069 B15R0.81 CCCCCCCCCCOCC(=O)NC 7a_100000210711_100000183359 [2,0,0,0,0,0|2,0,0]=4 1070 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [2,0,0,0,0,0|2,0,0]=4 1071 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [2,0,0,0,0,0|2,0,0]=4 1072 B15R0.81 CCCCCCCCCCSCC(=O)CC 62a_100000747405_100000210320 [2,0,0,0,0,0|1,0,0]=3 1073 B15R0.81 CCCCCCCCCCSCC(=O)NC 62a_100000183359_100000210320 [2,0,0,0,0,0|2,0,0]=4 1074 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [2,0,0,0,0,0|2,0,0]=4 1075 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000212291_100000737683 [2,0,0,0,0,0|2,0,0]=4 1076 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011214924 [2,0,0,0,0,0|2,0,0]=4 1077 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000212291_100012179268 [2,0,0,0,0,0|2,0,0]=4 1078 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000738227_100011214924 [2,0,0,0,0,0|2,0,0]=4 1079 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [2,0,0,0,0,0|2,0,0]=4 1080 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [2,0,0,0,0,0|2,0,0]=4 1081 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000210712_100012179268 [2,0,0,0,0,0|2,0,0]=4 1082 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000754576_100011214924 [2,0,0,0,0,0|2,0,0]=4 1083 B15R0.81 CCCCCCCCCOCCC(=O)NC 7a_100000210712_100000737683 [2,0,0,0,0,0|2,0,0]=4 1084 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [2,0,0,0,0,0|2,0,0]=4 1085 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [2,0,0,0,0,0|2,0,0]=4 1086 B15R0.81 CCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210670 [2,0,0,0,0,0|2,0,0]=4 1087 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [2,0,0,0,0,0|2,0,0]=4 1088 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000229939_100000741757 [2,0,0,0,0,0|2,0,0]=4 1089 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210759 [2,0,0,0,0,0|2,0,0]=4 1090 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000229939_100000741757 [2,0,0,0,0,0|2,0,0]=4 1091 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210759 [2,0,0,0,0,0|2,0,0]=4 1092 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [2,0,0,0,0,0|2,0,0]=4 1093 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [2,0,0,0,0,0|2,0,0]=4 1094 B15R0.81 CCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210759 [2,0,0,0,0,0|2,0,0]=4 1095 B15R0.81 CCCCCCCCNCCOC(=O)NC 34a_100000229939_200011997002 [2,0,0,0,0,0|2,0,0]=4 1096 B15R0.81 CCCCCCCCOCCCC(=O)NC 34a_100000210232_100000741757 [2,0,0,0,0,0|2,0,0]=4 1097 B15R0.81 CCCCCCCCOCCCC(=O)NC 7a_100000210232_100000741757 [2,0,0,0,0,0|2,0,0]=4 1098 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [2,0,0,0,0,0|2,0,0]=4 1099 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [2,0,0,0,0,0|2,0,0]=4 1100 B15R0.81 CCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210759 [2,0,0,0,0,0|2,0,0]=4 1101 B15R0.81 CCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210759 [2,0,0,0,0,0|2,0,0]=4 1102 B15R0.81 CCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210759 [2,0,0,0,0,0|1,0,0]=3 1103 B15R0.81 CCCCCCCCOCCOC(=O)NC 34a_100000210232_200011997002 [2,0,0,0,0,0|2,0,0]=4 1104 B15R0.81 CCCCCCCCOCCOC(=O)NC 7a_100000210232_200011997002 [2,0,0,0,0,0|2,0,0]=4 1105 B15R0.81 CCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210759 [2,0,0,0,0,0|2,0,0]=4 1106 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000210759_100000741757 [2,0,0,0,0,0|2,0,0]=4 1107 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210317 [2,0,0,0,0,0|2,0,0]=4 1108 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [2,0,0,0,0,0|2,0,0]=4 1109 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [2,0,0,0,0,0|2,0,0]=4 1110 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_100000210759_200011997002 [2,0,0,0,0,0|2,0,0]=4 1111 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210317 [2,0,0,0,0,0|2,0,0]=4 1112 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [2,0,0,0,0,0|2,0,0]=4 1113 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [2,0,0,0,0,0|2,0,0]=4 1114 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [2,0,0,0,0,0|2,0,0]=4 1115 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [2,0,0,0,0,0|2,0,0]=4 1116 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [2,0,0,0,0,0|2,0,0]=4 1117 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [2,0,0,0,0,0|2,0,0]=4 1118 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [2,0,0,0,0,0|2,0,0]=4 1119 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [2,0,0,0,0,0|2,0,0]=4 1120 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [2,0,0,0,0,0|2,0,0]=4 1121 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [2,0,0,0,0,0|2,0,0]=4 1122 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [2,0,0,0,0,0|2,0,0]=4 1123 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [2,0,0,0,0,0|2,0,0]=4 1124 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [2,0,0,0,0,0|2,0,0]=4 1125 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [2,0,0,0,0,0|2,0,0]=4 1126 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [2,0,0,0,0,0|2,0,0]=4 1127 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [2,0,0,0,0,0|2,0,0]=4 1128 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [2,0,0,0,0,0|2,0,0]=4 1129 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [2,0,0,0,0,0|2,0,0]=4 1130 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [2,0,0,0,0,0|2,0,0]=4 1131 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [2,0,0,0,0,0|2,0,0]=4 1132 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [2,0,0,0,0,0|2,0,0]=4 1133 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [2,0,0,0,0,0|2,0,0]=4 1134 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [2,0,0,0,0,0|2,0,0]=4 1135 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [2,0,0,0,0,0|2,0,0]=4 1136 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [2,0,0,0,0,0|2,0,0]=4 1137 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [2,0,0,0,0,0|2,0,0]=4 1138 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [2,0,0,0,0,0|2,0,0]=4 1139 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [2,0,0,0,0,0|2,0,0]=4 1140 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [2,0,0,0,0,0|2,0,0]=4 1141 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [2,0,0,0,0,0|2,0,0]=4 1142 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [2,0,0,0,0,0|2,0,0]=4 1143 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [2,0,0,0,0,0|2,0,0]=4 1144 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [2,0,0,0,0,0|2,0,0]=4 1145 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [2,0,0,0,0,0|2,0,0]=4 1146 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [2,0,0,0,0,0|2,0,0]=4 1147 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [2,0,0,0,0,0|2,0,0]=4 1148 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [2,0,0,0,0,0|2,0,0]=4 1149 B15R0.81 CNC(=O)CCCCCCCCCCCO 240690a_100102657272_100000037981 [2,0,0,0,0,0|2,0,0]=4 1150 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [2,0,0,0,0,0|2,0,0]=4 1151 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [2,0,0,0,0,0|2,0,0]=4 1152 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [2,0,0,0,0,0|2,0,0]=4 1153 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [2,0,0,0,0,0|2,0,0]=4 1154 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [2,0,0,0,0,0|2,0,0]=4 1155 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [2,0,0,0,0,0|2,0,0]=4 1156 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [2,0,0,0,0,0|2,0,0]=4 1157 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [2,0,0,0,0,0|2,0,0]=4 1158 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [2,0,0,0,0,0|2,0,0]=4 1159 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [2,0,0,0,0,0|2,0,0]=4 1160 B15R0.81 O=C(CO)CCCCCCCCCCCO 1458a_100000210174_100009812471 [2,0,0,0,0,0|1,0,0]=3 1161 B15R0.81 O=C(CO)NCCCCCCCCCCO 240690a_100000066964_100000210174 [2,0,0,0,0,0|2,0,0]=4 1162 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [2,0,0,0,0,0|2,0,0]=4 1163 B15R0.164 CC(=O)OCCCCCNCCCCCO 2230a_100000762737_100009813381 [2,0,0,0,0,0|2,0,0]=4 1164 B15R0.164 CC(=O)OCCCCCNCCCCCO 34a_100000762737_100000033007 [2,0,0,0,0,0|2,0,0]=4 1165 B15R0.164 CC(=O)OCCCCCOCCCCCBr 34a_100000746331_100000033007 [2,0,0,0,0,0|2,0,0]=4 1166 B15R0.164 CC(=O)OCCCCCOCCCCCBr 7a_100000746331_100000033007 [2,0,0,0,0,0|2,0,0]=4 1167 B15R0.164 CC(=O)OCCCCCOCCCCCCl 34a_100000746330_100000033007 [2,0,0,0,0,0|2,0,0]=4 1168 B15R0.164 CC(=O)OCCCCCOCCCCCCl 7a_100000746330_100000033007 [2,0,0,0,0,0|2,0,0]=4 1169 B15R0.164 CC(=O)OCCCCCOCCCCCI 34a_200012148887_100000033007 [2,0,0,0,0,0|2,0,0]=4 1170 B15R0.164 CC(=O)OCCCCCOCCCCCI 7a_200012148887_100000033007 [2,0,0,0,0,0|2,0,0]=4 1171 B15R0.164 CC(=O)OCCCCCOCCCCCN 34a_100000762737_100000033007 [2,0,0,0,0,0|2,0,0]=4 1172 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000033007_100000729378 [2,0,0,0,0,0|2,0,0]=4 1173 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000729378_100000033007 [2,0,0,0,0,0|2,0,0]=4 1174 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000033007_100000746330 [2,0,0,0,0,0|2,0,0]=4 1175 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000746330_100000033007 [2,0,0,0,0,0|2,0,0]=4 1176 B15R0.164 CC(=O)OCCCCNCCCCCCO 34a_100000686447_100000033659 [2,0,0,0,0,0|2,0,0]=4 1177 B15R0.164 CC(=O)OCCCCOCCCCCCBr 34a_100011215345_100000033659 [2,0,0,0,0,0|2,0,0]=4 1178 B15R0.164 CC(=O)OCCCCOCCCCCCBr 7a_100011215345_100000033659 [2,0,0,0,0,0|2,0,0]=4 1179 B15R0.164 CC(=O)OCCCCOCCCCCCCl 34a_100000766143_100000033659 [2,0,0,0,0,0|2,0,0]=4 1180 B15R0.164 CC(=O)OCCCCOCCCCCCCl 7a_100000766143_100000033659 [2,0,0,0,0,0|2,0,0]=4 1181 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000073216_100015922095 [2,0,0,0,0,0|2,0,0]=4 1182 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000732779_100000033659 [2,0,0,0,0,0|2,0,0]=4 1183 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000073216_100015922095 [2,0,0,0,0,0|2,0,0]=4 1184 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000732779_100000033659 [2,0,0,0,0,0|2,0,0]=4 1185 B15R0.164 CC(=O)OCCCCOCCCCCCN 34a_100000686447_100000033659 [2,0,0,0,0,0|2,0,0]=4 1186 B15R0.164 CC(=O)OCCCCOCCCCCCO 34a_100000073216_100000766143 [2,0,0,0,0,0|2,0,0]=4 1187 B15R0.164 CC(=O)OCCCCOCCCCCCO 7a_100000073216_100000766143 [2,0,0,0,0,0|2,0,0]=4 1188 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100000033659_100015922095 [2,0,0,0,0,0|2,0,0]=4 1189 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100015922095_100000033659 [2,0,0,0,0,0|2,0,0]=4 1190 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000033659_100000766143 [2,0,0,0,0,0|2,0,0]=4 1191 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000766143_100000033659 [2,0,0,0,0,0|2,0,0]=4 1192 B15R0.164 CC(=O)OCCCNCCCCCCCO 34a_100011996573_100000042594 [2,0,0,0,0,0|2,0,0]=4 1193 B15R0.164 CC(=O)OCCCOCCCCCCCBr 34a_100000760002_100000042594 [2,0,0,0,0,0|2,0,0]=4 1194 B15R0.164 CC(=O)OCCCOCCCCCCCBr 7a_100000760002_100000042594 [2,0,0,0,0,0|2,0,0]=4 1195 B15R0.164 CC(=O)OCCCOCCCCCCCN 34a_100011996573_100000042594 [2,0,0,0,0,0|2,0,0]=4 1196 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000042594_100000760002 [2,0,0,0,0,0|2,0,0]=4 1197 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000760002_100000042594 [2,0,0,0,0,0|2,0,0]=4 1198 B15R0.164 CC(=O)OCCNCCCCCCCCO 34a_102515433106_100009814007 [2,0,0,0,0,0|2,0,0]=4 1199 B15R0.164 CC(=O)OCCOCCCCCCCCBr 34a_100009813846_100009814007 [2,0,0,0,0,0|2,0,0]=4 1200 B15R0.164 CC(=O)OCCOCCCCCCCCBr 7a_100009813846_100009814007 [2,0,0,0,0,0|2,0,0]=4 1201 B15R0.164 CC(=O)OCCOCCCCCCCCCl 34a_100000033203_100009814007 [2,0,0,0,0,0|2,0,0]=4 1202 B15R0.164 CC(=O)OCCOCCCCCCCCCl 7a_100000033203_100009814007 [2,0,0,0,0,0|2,0,0]=4 1203 B15R0.164 CC(=O)OCCOCCCCCCCCN 34a_102515433106_100009814007 [2,0,0,0,0,0|2,0,0]=4 1204 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100000033203_100009814007 [2,0,0,0,0,0|2,0,0]=4 1205 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100009814007_100000033203 [2,0,0,0,0,0|2,0,0]=4 1206 B15R0.164 CC(=O)OCNCCCCCCCCCO 34a_100000078944_100009813279 [2,0,0,0,0,0|2,0,0]=4 1207 B15R0.164 CC(=O)OCOCCCCCCCCCBr 34a_100009813782_100009813279 [2,0,0,0,0,0|2,0,0]=4 1208 B15R0.164 CC(=O)OCOCCCCCCCCCCl 34a_100009868337_100009813279 [2,0,0,0,0,0|2,0,0]=4 1209 B15R0.164 CC(=O)OCOCCCCCCCCCN 34a_100000078944_100009813279 [2,0,0,0,0,0|2,0,0]=4 1210 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100000076356_100009813782 [2,0,0,0,0,0|2,0,0]=4 1211 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100009813782_100000076356 [2,0,0,0,0,0|2,0,0]=4 1212 B15R0.164 CC(C)OCCCCCCCCCCCO 34a_100000212225_100009812471 [2,0,0,0,0,0|2,0,0]=4 1213 B15R0.164 CC(O)COCCCCCCCCCCBr 34a_100009813290_100011218427 [2,0,0,0,0,0|1,0,1]=4 1214 B15R0.164 CC(O)COCCCCCCCCCCBr 7a_100009813290_100011218427 [2,0,0,0,0,0|1,0,1]=4 1215 B15R0.164 CC(O)COCCCCCCCCCCCl 34a_200000033068_100011218427 [2,0,0,0,0,0|1,0,1]=4 1216 B15R0.164 CC(O)COCCCCCCCCCCCl 7a_200000033068_100011218427 [2,0,0,0,0,0|1,0,1]=4 1217 B15R0.164 CC(O)COCCCCCCCCCCN 34a_100000066964_100011218427 [2,0,0,0,0,0|1,0,1]=4 1218 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [2,0,0,0,0,0|1,0,0]=3 1219 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [2,0,0,0,0,0|1,0,0]=3 1220 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [2,0,0,0,0,0|1,0,0]=3 1221 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [2,0,0,0,0,0|1,0,0]=3 1222 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100000210451_100000210206 [2,0,0,0,0,0|2,0,0]=4 1223 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215052 [2,0,0,0,0,0|2,0,0]=4 1224 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100000210451_100000210206 [2,0,0,0,0,0|2,0,0]=4 1225 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100138425928_100000759014 [2,0,0,0,0,0|2,0,0]=4 1226 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [2,0,0,0,0,0|2,0,0]=4 1227 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [2,0,0,0,0,0|1,0,1]=4 1228 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [2,0,0,0,0,0|1,0,1]=4 1229 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [2,0,0,0,0,0|1,0,1]=4 1230 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [2,0,0,0,0,0|1,0,1]=4 1231 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [2,0,0,0,0,0|1,0,1]=4 1232 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [2,0,0,0,0,0|1,0,1]=4 1233 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [2,0,0,0,0,0|2,0,0]=4 1234 B15R0.164 CCCCCCCCCCCOCC(C)F 34a_100015925927_100011215454 [2,0,0,0,0,0|1,0,1]=4 1235 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [2,0,0,0,0,0|0,0,1]=3 1236 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [2,0,0,0,0,0|0,0,1]=3 1237 B15R0.164 CCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011215454 [2,0,0,0,0,0|1,0,1]=4 1238 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [2,0,0,0,0,0|0,0,1]=3 1239 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [2,0,0,0,0,0|0,0,1]=3 1240 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [2,0,0,0,0,0|0,1,1]=4 1241 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [2,0,0,0,0,0|0,1,1]=4 1242 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [2,0,0,0,0,0|1,0,1]=4 1243 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [2,0,0,0,0,0|1,0,1]=4 1244 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [2,0,0,0,0,0|1,0,1]=4 1245 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [2,0,0,0,0,0|1,0,0]=3 1246 B15R0.164 CCCCCCCCCCNCOC(C)C 2230a_100000684558_100000709892 [2,0,0,0,0,0|2,0,0]=4 1247 B15R0.164 CCCCCCCCCCNCOC(C)C 34a_100000684558_100000709892 [2,0,0,0,0,0|2,0,0]=4 1248 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [2,0,0,0,0,0|2,0,0]=4 1249 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [2,0,0,0,0,0|2,0,0]=4 1250 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [2,0,0,0,0,0|2,0,0]=4 1251 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [2,0,0,0,0,0|1,0,1]=4 1252 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [2,0,0,0,0,0|1,0,1]=4 1253 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [2,0,0,0,0,0|1,0,0]=3 1254 B15R0.164 CCCCCCCCCCOCOC(C)C 34a_100000210711_100000709892 [2,0,0,0,0,0|2,0,0]=4 1255 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [2,0,0,0,0,0|2,0,0]=4 1256 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [2,0,0,0,0,0|1,0,1]=4 1257 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [2,0,0,0,0,0|1,0,0]=3 1258 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [2,0,0,0,0,0|2,0,0]=4 1259 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [2,0,0,0,0,0|1,0,1]=4 1260 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [2,0,0,0,0,0|1,0,1]=4 1261 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [2,0,0,0,0,0|2,0,0]=4 1262 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [2,0,0,0,0,0|2,0,0]=4 1263 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [2,0,0,0,0,0|1,0,0]=3 1264 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [2,0,0,0,0,0|2,0,0]=4 1265 B15R0.164 CCCCCCCCCNCCOC(C)C 2230a_100000212291_100000211751 [2,0,0,0,0,0|2,0,0]=4 1266 B15R0.164 CCCCCCCCCNCCOC(C)C 2230a_100000701111_100011214924 [2,0,0,0,0,0|2,0,0]=4 1267 B15R0.164 CCCCCCCCCNCCOC(C)C 34a_100000212291_100000211751 [2,0,0,0,0,0|2,0,0]=4 1268 B15R0.164 CCCCCCCCCNCCOC(C)C 34a_100000701111_100011214924 [2,0,0,0,0,0|2,0,0]=4 1269 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [2,0,0,0,0,0|2,0,0]=4 1270 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [2,0,0,0,0,0|2,0,0]=4 1271 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [2,0,0,0,0,0|2,0,0]=4 1272 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [2,0,0,0,0,0|2,0,0]=4 1273 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [2,0,0,0,0,0|1,0,1]=4 1274 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [2,0,0,0,0,0|1,0,1]=4 1275 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [2,0,0,0,0,0|2,0,0]=4 1276 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [2,0,0,0,0,0|2,0,0]=4 1277 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [2,0,0,0,0,0|1,0,0]=3 1278 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [2,0,0,0,0,0|1,0,0]=3 1279 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [2,0,0,0,0,0|2,0,0]=4 1280 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [2,0,0,0,0,0|2,0,0]=4 1281 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [2,0,0,0,0,0|2,0,0]=4 1282 B15R0.164 CCCCCCCCCOCCOC(C)C 34a_100000210712_100000211751 [2,0,0,0,0,0|2,0,0]=4 1283 B15R0.164 CCCCCCCCCOCCOC(C)C 34a_100000211219_100011214924 [2,0,0,0,0,0|2,0,0]=4 1284 B15R0.164 CCCCCCCCCOCCOC(C)C 7a_100000210712_100000211751 [2,0,0,0,0,0|2,0,0]=4 1285 B15R0.164 CCCCCCCCCOCCOC(C)C 7a_100000211219_100000210328 [2,0,0,0,0,0|2,0,0]=4 1286 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [2,0,0,0,0,0|2,0,0]=4 1287 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [2,0,0,0,0,0|1,0,1]=4 1288 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [2,0,0,0,0,0|2,0,0]=4 1289 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [2,0,0,0,0,0|1,0,0]=3 1290 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [2,0,0,0,0,0|2,0,0]=4 1291 B15R0.164 CCCCCCCCCSCCOC(C)C 62a_100000211751_100000210670 [2,0,0,0,0,0|2,0,0]=4 1292 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [2,0,0,0,0,0|2,0,0]=4 1293 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [2,0,0,0,0,0|2,0,0]=4 1294 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [2,0,0,0,0,0|1,0,0]=3 1295 B15R0.164 CCCCCCCCNCCCOC(=S)C 2230a_100000229939_200135323944 [2,0,0,0,0,0|1,1,0]=4 1296 B15R0.164 CCCCCCCCNCCCOC(=S)C 34a_100000229939_200135323944 [2,0,0,0,0,0|1,1,0]=4 1297 B15R0.164 CCCCCCCCNCCCOC(C)C 2230a_100000737246_100000210759 [2,0,0,0,0,0|2,0,0]=4 1298 B15R0.164 CCCCCCCCNCCCOC(C)C 34a_100000737246_100000210759 [2,0,0,0,0,0|2,0,0]=4 1299 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [2,0,0,0,0,0|1,1,0]=4 1300 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [2,0,0,0,0,0|1,1,0]=4 1301 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [2,0,0,0,0,0|2,0,0]=4 1302 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [2,0,0,0,0,0|2,0,0]=4 1303 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [2,0,0,0,0,0|2,0,0]=4 1304 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [2,0,0,0,0,0|1,0,0]=3 1305 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [2,0,0,0,0,0|1,0,0]=3 1306 B15R0.164 CCCCCCCCOCCCOC(=S)C 34a_100000210232_200135323944 [2,0,0,0,0,0|1,1,0]=4 1307 B15R0.164 CCCCCCCCOCCCOC(=S)C 7a_100000210232_200135323944 [2,0,0,0,0,0|1,1,0]=4 1308 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [2,0,0,0,0,0|1,1,0]=4 1309 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [2,0,0,0,0,0|1,1,0]=4 1310 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [2,0,0,0,0,0|2,0,0]=4 1311 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [2,0,0,0,0,0|2,0,0]=4 1312 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [2,0,0,0,0,0|1,0,0]=3 1313 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [2,0,0,0,0,0|1,0,0]=3 1314 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_100000210759_200135323944 [2,0,0,0,0,0|1,1,0]=4 1315 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210317 [2,0,0,0,0,0|1,1,0]=4 1316 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [2,0,0,0,0,0|1,1,0]=4 1317 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [2,0,0,0,0,0|1,1,0]=4 1318 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [2,0,0,0,0,0|2,0,0]=4 1319 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [2,0,0,0,0,0|2,0,0]=4 1320 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [2,0,0,0,0,0|1,1,0]=4 1321 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [2,0,0,0,0,0|1,0,0]=3 1322 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [2,0,0,0,0,0|1,0,0]=3 1323 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [2,0,0,0,0,0|1,0,0]=3 1324 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [2,0,0,0,0,0|1,0,0]=3 1325 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [2,0,0,0,0,0|1,1,0]=4 1326 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [2,0,0,0,0,0|1,1,0]=4 1327 B15R0.164 CCCCCCCOCOCCOC(=O)C 34a_100000210272_100000076355 [2,0,0,0,0,0|2,0,0]=4 1328 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [2,0,0,0,0,0|1,0,0]=3 1329 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [2,0,0,0,0,0|1,0,0]=3 1330 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [2,0,0,0,0,0|1,1,0]=4 1331 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [2,0,0,0,0,0|1,1,0]=4 1332 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210316 [2,0,0,0,0,0|2,0,0]=4 1333 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000210614_100000076355 [2,0,0,0,0,0|2,0,0]=4 1334 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [2,0,0,0,0,0|2,0,0]=4 1335 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [2,0,0,0,0,0|2,0,0]=4 1336 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [2,0,0,0,0,0|1,0,0]=3 1337 B15R0.164 CCCCCCNCCOCCOC(=O)C 2230a_100000210581_200000083610 [2,0,0,0,0,0|2,0,0]=4 1338 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [2,0,0,0,0,0|1,0,0]=3 1339 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [2,0,0,0,0,0|1,0,0]=3 1340 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000210259_200000083610 [2,0,0,0,0,0|2,0,0]=4 1341 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000691444_100009814007 [2,0,0,0,0,0|2,0,0]=4 1342 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000210259_200000083610 [2,0,0,0,0,0|2,0,0]=4 1343 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000691444_100009814007 [2,0,0,0,0,0|2,0,0]=4 1344 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [2,0,0,0,0,0|1,0,0]=3 1345 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [2,0,0,0,0,0|1,0,0]=3 1346 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_100000210314_200000083610 [2,0,0,0,0,0|2,0,0]=4 1347 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210757 [2,0,0,0,0,0|2,0,0]=4 1348 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [2,0,0,0,0,0|2,0,0]=4 1349 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [2,0,0,0,0,0|2,0,0]=4 1350 B15R0.164 CCCCCNCCOCCCOC(=O)C 34a_100000224656_100000042594 [2,0,0,0,0,0|2,0,0]=4 1351 B15R0.164 CCCCCOCCOCCCOC(=O)C 34a_100011215259_100000042594 [2,0,0,0,0,0|2,0,0]=4 1352 B15R0.164 CCCCCOCCOCCCOC(=O)C 7a_100011215259_100000042594 [2,0,0,0,0,0|2,0,0]=4 1353 B15R0.164 CCCCNCCCCOCCOC(=O)C 34a_200011216965_100009814007 [2,0,0,0,0,0|2,0,0]=4 1354 B15R0.164 CCCCOCCCCOCCOC(=O)C 34a_200000760531_100009814007 [2,0,0,0,0,0|2,0,0]=4 1355 B15R0.164 CCCCOCCCCOCCOC(=O)C 7a_200000760531_100009814007 [2,0,0,0,0,0|2,0,0]=4 1356 B15R0.164 CCCCOCCCNCCCOC(=O)C 34a_200000211371_100000042594 [2,0,0,0,0,0|2,0,0]=4 1357 B15R0.164 CCCCOCCCOCCCOC(=O)C 34a_200011215613_100000042594 [2,0,0,0,0,0|2,0,0]=4 1358 B15R0.164 CCCCOCCCOCCCOC(=O)C 7a_200011215613_100000042594 [2,0,0,0,0,0|2,0,0]=4 1359 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000073216_100000743108 [2,0,0,0,0,0|2,0,0]=4 1360 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000210238_100000033659 [2,0,0,0,0,0|2,0,0]=4 1361 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000073216_100000743108 [2,0,0,0,0,0|2,0,0]=4 1362 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000210238_100000033659 [2,0,0,0,0,0|2,0,0]=4 1363 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000033659_100000743108 [2,0,0,0,0,0|2,0,0]=4 1364 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000743108_100000033659 [2,0,0,0,0,0|2,0,0]=4 1365 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100000033007_100011995733 [2,0,0,0,0,0|2,0,0]=4 1366 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100011995733_100000033007 [2,0,0,0,0,0|2,0,0]=4 1367 B15R0.164 CCCCSCCOCCCCOC(=O)C 34a_200000230436_100000033659 [2,0,0,0,0,0|2,0,0]=4 1368 B15R0.164 CCCCSCCOCCCCOC(=O)C 7a_200000230436_100000033659 [2,0,0,0,0,0|2,0,0]=4 1369 B15R0.164 CCCOCCCNCCCCOC(=O)C 34a_100011217757_100000033659 [2,0,0,0,0,0|2,0,0]=4 1370 B15R0.164 CCCOCCNCCCCCOC(=O)C 2230a_100161115042_100009813381 [2,0,0,0,0,0|2,0,0]=4 1371 B15R0.164 CCCOCCNCCCCCOC(=O)C 34a_100161115042_100000033007 [2,0,0,0,0,0|2,0,0]=4 1372 B15R0.164 CCCOCCOCCCCCOC(=O)C 34a_100000752267_100000033007 [2,0,0,0,0,0|2,0,0]=4 1373 B15R0.164 CCCOCCOCCCCCOC(=O)C 7a_100000752267_100000033007 [2,0,0,0,0,0|2,0,0]=4 1374 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100000033007_100011215938 [2,0,0,0,0,0|2,0,0]=4 1375 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100011215938_100000033007 [2,0,0,0,0,0|2,0,0]=4 1376 B15R0.164 CCCSCCNCCCCCOC(=O)C 2230a_100020603323_100009813381 [2,0,0,0,0,0|2,0,0]=4 1377 B15R0.164 CCCSCCOCCCCCOC(=O)C 34a_200000230433_100000033007 [2,0,0,0,0,0|2,0,0]=4 1378 B15R0.164 CCCSCCOCCCCCOC(=O)C 7a_200000230433_100000033007 [2,0,0,0,0,0|2,0,0]=4 1379 B15R0.164 CCOCCCCCCCCCOC(C)C 34a_100009875440_100000210206 [2,0,0,0,0,0|2,0,0]=4 1380 B15R0.164 CCOCCCCCCCCCOC(C)C 7a_100009875440_100000210206 [2,0,0,0,0,0|2,0,0]=4 1381 B15R0.164 CCOCCCNCCCCCOC(=O)C 2230a_100000210961_100009813381 [2,0,0,0,0,0|2,0,0]=4 1382 B15R0.164 CCOCCCNCCCCCOC(=O)C 34a_100000210961_100000033007 [2,0,0,0,0,0|2,0,0]=4 1383 B15R0.164 CCOCCCOCCCCCOC(=O)C 34a_100000757476_100000033007 [2,0,0,0,0,0|2,0,0]=4 1384 B15R0.164 CCOCCCOCCCCCOC(=O)C 7a_100000757476_100000033007 [2,0,0,0,0,0|2,0,0]=4 1385 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100000033007_100012232248 [2,0,0,0,0,0|2,0,0]=4 1386 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100012232248_100000033007 [2,0,0,0,0,0|2,0,0]=4 1387 B15R0.164 CCSCCCOCCCCCOC(=O)C 34a_100011216438_100000033007 [2,0,0,0,0,0|2,0,0]=4 1388 B15R0.164 CCSCCCOCCCCCOC(=O)C 7a_100011216438_100000033007 [2,0,0,0,0,0|2,0,0]=4 1389 B15R0.164 CNCCCCCOCCCCOC(=O)C 34a_100000722520_100000033659 [2,0,0,0,0,0|2,0,0]=4 1390 B15R0.164 COCCCCCCOCCCOC(=O)C 34a_200012092642_100000042594 [2,0,0,0,0,0|2,0,0]=4 1391 B15R0.164 COCCCCCCOCCCOC(=O)C 7a_200012092642_100000042594 [2,0,0,0,0,0|2,0,0]=4 1392 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100000042594_100011998445 [2,0,0,0,0,0|2,0,0]=4 1393 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100011998445_100000042594 [2,0,0,0,0,0|2,0,0]=4 1394 B15R0.164 COCCCCCNCCCCOC(=O)C 34a_100000747528_100000033659 [2,0,0,0,0,0|2,0,0]=4 1395 B15R0.164 COCCCCOCCCCCOC(=O)C 34a_100000740925_100000033007 [2,0,0,0,0,0|2,0,0]=4 1396 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000033007_100000730899 [2,0,0,0,0,0|2,0,0]=4 1397 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000730899_100000033007 [2,0,0,0,0,0|2,0,0]=4 1398 B15R0.164 CSCCCCOCCCCCOC(=O)C 34a_100011217163_100000033007 [2,0,0,0,0,0|2,0,0]=4 1399 B15R0.164 CSCCCCOCCCCCOC(=O)C 7a_100011217163_100000033007 [2,0,0,0,0,0|2,0,0]=4 1400 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 34a_100009813290_100009817552 [2,0,0,0,0,0|1,0,1]=4 1401 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 7a_100009813290_100009817552 [2,0,0,0,0,0|1,0,1]=4 1402 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 34a_200000033068_100009817552 [2,0,0,0,0,0|1,0,1]=4 1403 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 7a_200000033068_100009817552 [2,0,0,0,0,0|1,0,1]=4 1404 B15R0.164 C[C@@H](O)COCCCCCCCCCCN 34a_100000066964_100009817552 [2,0,0,0,0,0|1,0,1]=4 1405 B15R0.84 C=CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009814027 [2,0,0,0,0,0|0,0,2]=4 1406 B15R0.84 C=CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009814027 [2,0,0,0,0,0|0,0,2]=4 1407 B15R0.84 CC(C)C(=O)CCCCCCCCCCO 1458a_100000210198_100009813290 [2,0,0,0,0,0|2,0,0]=4 1408 B15R0.84 CC(F)C(=O)CCCCCCCCCCO 1458a_100000062450_100009813290 [2,0,0,0,0,0|2,0,0]=4 1409 B15R0.84 CCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100011215454 [2,0,0,0,0,0|1,0,0]=3 1410 B15R0.84 CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011215454 [2,0,0,0,0,0|1,0,0]=3 1411 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210736 [2,0,0,0,0,0|2,0,0]=4 1412 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210736 [2,0,0,0,0,0|2,0,0]=4 1413 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210736 [2,0,0,0,0,0|2,0,0]=4 1414 B15R0.84 CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215454 [2,0,0,0,0,0|0,0,0]=2 1415 B15R0.84 CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215454 [2,0,0,0,0,0|0,0,0]=2 1416 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 11a_100000684558_100000210198 [2,0,0,0,0,0|2,0,0]=4 1417 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 1626a_100000684558_100000210198 [2,0,0,0,0,0|2,0,0]=4 1418 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 240690a_100000684558_100000210198 [2,0,0,0,0,0|2,0,0]=4 1419 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 527a_100000684558_100000210198 [2,0,0,0,0,0|2,0,0]=4 1420 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 11a_100000684558_100000062450 [2,0,0,0,0,0|2,0,0]=4 1421 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 1626a_100000684558_100000062450 [2,0,0,0,0,0|2,0,0]=4 1422 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 240690a_100000684558_100000062450 [2,0,0,0,0,0|2,0,0]=4 1423 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 527a_100000684558_100000062450 [2,0,0,0,0,0|2,0,0]=4 1424 B15R0.84 CCCCCCCCCCNC(=O)C(O)O 240690a_100000684558_100000233687 [2,0,0,0,0,0|2,0,0]=4 1425 B15R0.84 CCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000684558_100000717761 [2,0,0,0,0,0|1,0,0]=3 1426 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000684558_217856618621 [2,0,0,0,0,0|1,0,0]=3 1427 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000684558_217856618621 [2,0,0,0,0,0|1,0,0]=3 1428 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 2230a_100000212291_100000753385 [2,0,0,0,0,0|2,0,0]=4 1429 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 34a_100000212291_100000753385 [2,0,0,0,0,0|2,0,0]=4 1430 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 34a_100000210712_100000753385 [2,0,0,0,0,0|2,0,0]=4 1431 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 7a_100000210712_100000753385 [2,0,0,0,0,0|2,0,0]=4 1432 B15R0.84 CCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210670 [2,0,0,0,0,0|2,0,0]=4 1433 B15R0.84 CCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210317 [2,0,0,0,0,0|2,0,0]=4 1434 B15R0.84 CCCCCCCCSCOC(=O)C(C)C 62a_100000210759_100000139345 [2,0,0,0,0,0|2,0,0]=4 1435 B15R0.84 C[C@@H](O)C(=O)CCCCCCCCCCO 1458a_100000717761_100009813290 [2,0,0,0,0,0|1,0,0]=3 1436 B15R0.84 C[C@@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_100000717761 [2,0,0,0,0,0|2,0,0]=4 1437 B15R0.84 C[C@H](O)C(=O)CCCCCCCCCCO 1458a_217856618621_100009813290 [2,0,0,0,0,0|1,0,0]=3 1438 B15R0.84 C[C@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_217856618621 [2,0,0,0,0,0|2,0,0]=4 1439 B15R0.84 O=C(CCCCCCCCCCO)C(O)O 1458a_100000233687_100009813290 [2,0,0,0,0,0|2,0,0]=4 1440 B17R0.97 CCCCCCCCC(C)NCCNC(=O)CC 270004a_100132302217_100011216694 [1,1,0,0,0,0|2,0,0]=4 1441 B17R0.97 CCCCCCCCC(C)OCCOC(=O)NC 34a_100000210740_200011997002 [1,1,0,0,0,0|2,0,0]=4 1442 B17R0.97 CCCCCCCCC(C)OCCOC(=O)NC 7a_100000210740_200011997002 [1,1,0,0,0,0|2,0,0]=4 1443 B17R0.133 CCCCCCC(C)CCOCCOC(=O)NC 34a_200011024964_200011997002 [1,1,0,0,0,0|2,0,0]=4 1444 B17R0.133 CCCCCCC(C)CCOCCOC(=O)NC 7a_200011024964_200011997002 [1,1,0,0,0,0|2,0,0]=4 1445 B17R0.195 C#CCCCCCCCCCCOCC(=O)CC 7a_100000054667_100000747405 [1,1,0,0,0,0|0,0,2]=4 1446 B17R0.195 C=CC(=O)OCCCCCCNCCCCCC 2230a_100000210581_100009894100 [1,1,0,0,0,0|0,0,2]=4 1447 B17R0.195 C=CC(=O)OCCCCCCOCCCCCC 34a_100000210259_100009894100 [1,1,0,0,0,0|0,0,2]=4 1448 B17R0.195 C=CC(=O)OCCCCCCOCCCCCC 7a_100000210259_100009894100 [1,1,0,0,0,0|0,0,2]=4 1449 B17R0.195 C=CC(=O)OCCCCCCSCCCCCC 62a_100000210314_100009894100 [1,1,0,0,0,0|0,0,2]=4 1450 B17R0.195 C=CC(=O)OCCCCCCSCCCCCC 62a_100009894100_100000210757 [1,1,0,0,0,0|0,0,2]=4 1451 B17R0.195 C=CC(=O)OCCCCCOCCCCCCC 7a_200011023508_100000210614 [1,1,0,0,0,0|0,0,2]=4 1452 B17R0.195 C=CC(=O)OCCNCCCCCCCCCC 2230a_100000684558_100009813456 [1,1,0,0,0,0|0,0,2]=4 1453 B17R0.195 C=CC(=O)OCCNCCCCCCCCCC 34a_100000684558_100009813456 [1,1,0,0,0,0|0,0,2]=4 1454 B17R0.195 C=CC(=O)OCCOCCCCCCCCCC 34a_100000210711_100009813456 [1,1,0,0,0,0|0,0,2]=4 1455 B17R0.195 C=CC(=O)OCCOCCCCCCCCCC 7a_100000210711_100009813456 [1,1,0,0,0,0|0,0,2]=4 1456 B17R0.195 C=CC(=O)OCCSCCCCCCCCCC 62a_100009813456_100000210320 [1,1,0,0,0,0|0,0,2]=4 1457 B17R0.195 C=CCCCCCCCCCCOCC(=O)CC 34a_100000725409_100011093070 [1,1,0,0,0,0|0,0,2]=4 1458 B17R0.195 C=CCCCCCCCCOCCOC(=O)CC 7a_200000031056_100011933949 [1,1,0,0,0,0|0,0,2]=4 1459 B17R0.195 CC(CO)OCCCCCCCCCCCCBr 34a_100009813331_100012180447 [1,1,0,0,0,0|1,0,1]=4 1460 B17R0.195 CC(CO)OCCCCCCCCCCCCBr 7a_100009813331_100012180447 [1,1,0,0,0,0|1,0,1]=4 1461 B17R0.195 CC(CO)OCCCCCCCCCCCCN 34a_100000066677_100012180447 [1,1,0,0,0,0|1,0,1]=4 1462 B17R0.195 CCC#CCCCCCCCCOCC(=O)CC 7a_200000031908_100000747405 [1,1,0,0,0,0|0,0,2]=4 1463 B17R0.195 CCC#CCCCCCCOCCOC(=O)CC 7a_200000031056_200000036426 [1,1,0,0,0,0|0,0,2]=4 1464 B17R0.195 CCC(=O)CCCCCCCCCCCCCO 1458a_100000210414_100009812470 [1,1,0,0,0,0|1,0,0]=3 1465 B17R0.195 CCC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000747405 [1,1,0,0,0,0|1,0,0]=3 1466 B17R0.195 CCC(=O)COCCCCCCCCCCCO 34a_100000725409_100009812471 [1,1,0,0,0,0|1,0,0]=3 1467 B17R0.195 CCC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747405 [1,1,0,0,0,0|1,1,0]=4 1468 B17R0.195 CCC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000210414 [1,1,0,0,0,0|1,0,0]=3 1469 B17R0.195 CCC(=O)NCCNCCCCCCCCCO 34a_100132302217_100009813782 [1,1,0,0,0,0|2,0,0]=4 1470 B17R0.195 CCC(=O)NCCOCCCCCCCCCO 34a_200000158885_100009813782 [1,1,0,0,0,0|2,0,0]=4 1471 B17R0.195 CCC(=O)NCCOCCCCCCCCCO 7a_200000158885_100009813782 [1,1,0,0,0,0|2,0,0]=4 1472 B17R0.195 CCC(=O)OCCOCCCCCCCCCO 7a_200000031056_100009813782 [1,1,0,0,0,0|1,0,0]=3 1473 B17R0.195 CCC(C)OCCCCCCCCCCCCN 34a_100000066677_100011215416 [1,1,0,0,0,0|1,0,1]=4 1474 B17R0.195 CCC(C)OCCCCCCCCCCCCO 7a_100000210228_100009813331 [1,1,0,0,0,0|1,0,1]=4 1475 B17R0.195 CCCCC#CCCCCCCOCC(=O)CC 34a_100000725409_200000043322 [1,1,0,0,0,0|0,0,2]=4 1476 B17R0.195 CCCCCCCCC/C=C/COCC(=O)CC 7a_100015232335_100000747405 [1,1,0,0,0,0|0,0,2]=4 1477 B17R0.195 CCCCCCCCCCCC=NNC(=O)CC 4a_100000183195_100011218549 [1,1,0,0,0,0|1,0,1]=4 1478 B17R0.195 CCCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215471 [1,1,0,0,0,0|1,0,0]=3 1479 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000297455 [1,1,0,0,0,0|2,0,0]=4 1480 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000297455 [1,1,0,0,0,0|2,0,0]=4 1481 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000297455 [1,1,0,0,0,0|2,0,0]=4 1482 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 11a_100011215765_100000210414 [1,1,0,0,0,0|1,0,0]=3 1483 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 1626a_100011215765_100000210414 [1,1,0,0,0,0|1,0,0]=3 1484 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 240690a_100011215765_100000210414 [1,1,0,0,0,0|1,0,0]=3 1485 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 527a_100011215765_100000210414 [1,1,0,0,0,0|1,0,0]=3 1486 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 240690a_100011215765_100000210174 [1,1,0,0,0,0|1,0,0]=3 1487 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 527a_100011215765_100000210174 [1,1,0,0,0,0|1,0,0]=3 1488 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 2708a_100011215765_106832991635 [1,1,0,0,0,0|2,0,0]=4 1489 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100011215765 [1,1,0,0,0,0|2,0,0]=4 1490 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 273464a_100011215765_100102657272 [1,1,0,0,0,0|2,0,0]=4 1491 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100011215765 [1,1,0,0,0,0|2,0,0]=4 1492 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 512a_100011215765_100102657272 [1,1,0,0,0,0|2,0,0]=4 1493 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 512a_106832991638_100011215765 [1,1,0,0,0,0|2,0,0]=4 1494 B17R0.195 CCCCCCCCCCCCCOC(C)CO 34a_100000185773_100012180447 [1,1,0,0,0,0|1,0,1]=4 1495 B17R0.195 CCCCCCCCCCCCCOC(C)CO 7a_100000185773_100012180447 [1,1,0,0,0,0|1,0,1]=4 1496 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 2230a_100000210451_100000183359 [1,1,0,0,0,0|2,0,0]=4 1497 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100011215052 [1,1,0,0,0,0|2,0,0]=4 1498 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 270004a_100000693194_100011218549 [1,1,0,0,0,0|2,0,0]=4 1499 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 34a_100000210451_100000183359 [1,1,0,0,0,0|2,0,0]=4 1500 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 2230a_100000210451_100000747449 [1,1,0,0,0,0|2,0,0]=4 1501 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 34a_100000210451_100000747449 [1,1,0,0,0,0|2,0,0]=4 1502 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 34a_100000725409_100000759014 [1,1,0,0,0,0|0,0,0]=2 1503 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 7a_100000210810_100000747405 [1,1,0,0,0,0|0,0,0]=2 1504 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 34a_100000210810_100000183359 [1,1,0,0,0,0|1,0,0]=3 1505 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 34a_100000750040_100000759014 [1,1,0,0,0,0|1,0,0]=3 1506 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 7a_100000210810_100000183359 [1,1,0,0,0,0|1,0,0]=3 1507 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 34a_100000210810_100000747449 [1,1,0,0,0,0|1,0,0]=3 1508 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 7a_100000210810_100000747449 [1,1,0,0,0,0|1,0,0]=3 1509 B17R0.195 CCCCCCCCCCCCOCC(O)CC 34a_100000210810_100011218378 [1,1,0,0,0,0|0,0,2]=4 1510 B17R0.195 CCCCCCCCCCCCOCC(O)CC 7a_100000210810_100011218378 [1,1,0,0,0,0|0,0,2]=4 1511 B17R0.195 CCCCCCCCCCCCOCC(O)CO 34a_100000210810_100011219619 [1,1,0,0,0,0|0,0,2]=4 1512 B17R0.195 CCCCCCCCCCCCOCC(O)CO 7a_100000210810_100011219619 [1,1,0,0,0,0|0,0,2]=4 1513 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 34a_100000210810_100000059175 [1,1,0,0,0,0|1,0,1]=4 1514 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 7a_100000210810_100000059175 [1,1,0,0,0,0|1,0,1]=4 1515 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 34a_100000210810_100009815848 [1,1,0,0,0,0|0,0,2]=4 1516 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 7a_100000210810_100009815848 [1,1,0,0,0,0|0,0,2]=4 1517 B17R0.195 CCCCCCCCCCCCSCC(=O)NC 62a_100000183359_100000759014 [1,1,0,0,0,0|1,1,0]=4 1518 B17R0.195 CCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100000759014 [1,1,0,0,0,0|1,1,0]=4 1519 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011215454 [1,1,0,0,0,0|2,0,0]=4 1520 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 2230a_200011215754_100000737683 [1,1,0,0,0,0|2,0,0]=4 1521 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 34a_100000738227_100011215454 [1,1,0,0,0,0|2,0,0]=4 1522 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 34a_200011215754_100012179268 [1,1,0,0,0,0|2,0,0]=4 1523 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 2230a_200011215754_100000204255 [1,1,0,0,0,0|2,0,0]=4 1524 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 34a_200011215754_100000742370 [1,1,0,0,0,0|2,0,0]=4 1525 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 34a_100000210809_100012179268 [1,1,0,0,0,0|2,0,0]=4 1526 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 34a_100000754576_100011215454 [1,1,0,0,0,0|2,0,0]=4 1527 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 7a_100000210809_100000737683 [1,1,0,0,0,0|2,0,0]=4 1528 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 34a_100000210809_100000742370 [1,1,0,0,0,0|2,0,0]=4 1529 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 7a_100000210809_100000204255 [1,1,0,0,0,0|2,0,0]=4 1530 B17R0.195 CCCCCCCCCCCSCCC(=O)NC 62a_100000737683_100011215454 [1,1,0,0,0,0|2,0,0]=4 1531 B17R0.195 CCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100011215454 [1,1,0,0,0,0|2,0,0]=4 1532 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 2230a_100000684558_100000741757 [1,1,0,0,0,0|2,0,0]=4 1533 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210320 [1,1,0,0,0,0|2,0,0]=4 1534 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 34a_100000684558_100000741757 [1,1,0,0,0,0|2,0,0]=4 1535 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210320 [1,1,0,0,0,0|2,0,0]=4 1536 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 2230a_100000684558_100011218270 [1,1,0,0,0,0|2,0,0]=4 1537 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 34a_100000684558_100000742333 [1,1,0,0,0,0|2,0,0]=4 1538 B17R0.195 CCCCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210320 [1,1,0,0,0,0|1,0,0]=3 1539 B17R0.195 CCCCCCCCCCNCCNC(=O)NC 34a_100015205895_100000210320 [1,1,0,0,0,0|2,0,0]=4 1540 B17R0.195 CCCCCCCCCCNCCOC(=O)NC 34a_100000684558_200011997002 [1,1,0,0,0,0|1,0,0]=3 1541 B17R0.195 CCCCCCCCCCOCCCC(=O)NC 34a_100000210711_100000741757 [1,1,0,0,0,0|2,0,0]=4 1542 B17R0.195 CCCCCCCCCCOCCCC(=O)NC 7a_100000210711_100000741757 [1,1,0,0,0,0|2,0,0]=4 1543 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 34a_100000210711_100000742333 [1,1,0,0,0,0|2,0,0]=4 1544 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 7a_100000210711_100011218270 [1,1,0,0,0,0|2,0,0]=4 1545 B17R0.195 CCCCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210320 [1,1,0,0,0,0|1,0,0]=3 1546 B17R0.195 CCCCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210320 [1,1,0,0,0,0|1,0,0]=3 1547 B17R0.195 CCCCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210320 [1,1,0,0,0,0|2,0,0]=4 1548 B17R0.195 CCCCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210320 [1,1,0,0,0,0|0,0,0]=2 1549 B17R0.195 CCCCCCCCCCOCCOC(=O)NC 34a_100000210711_200011997002 [1,1,0,0,0,0|1,0,0]=3 1550 B17R0.195 CCCCCCCCCCOCCOC(=O)NC 7a_100000210711_200011997002 [1,1,0,0,0,0|1,0,0]=3 1551 B17R0.195 CCCCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210320 [1,1,0,0,0,0|1,0,0]=3 1552 B17R0.195 CCCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210320 [1,1,0,0,0,0|2,0,0]=4 1553 B17R0.195 CCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210320 [1,1,0,0,0,0|2,0,0]=4 1554 B17R0.195 CCCCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210320 [1,1,0,0,0,0|1,0,0]=3 1555 B17R0.195 CCCCCCCCCCSCCOC(C)CO 34a_100011628728_100012180447 [1,1,0,0,0,0|1,0,1]=4 1556 B17R0.195 CCCCCCCCCCSCCOC(C)CO 7a_100011628728_100012180447 [1,1,0,0,0,0|1,0,1]=4 1557 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 2230a_100000212291_100000204269 [1,1,0,0,0,0|2,0,0]=4 1558 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 34a_100000212291_100000204269 [1,1,0,0,0,0|2,0,0]=4 1559 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 2230a_100000212291_100000090808 [1,1,0,0,0,0|2,0,0]=4 1560 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 34a_100000212291_100000090808 [1,1,0,0,0,0|2,0,0]=4 1561 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100011214924 [1,1,0,0,0,0|2,0,0]=4 1562 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000210712_100000204269 [1,1,0,0,0,0|2,0,0]=4 1563 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210328 [1,1,0,0,0,0|2,0,0]=4 1564 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000210712_100000204269 [1,1,0,0,0,0|2,0,0]=4 1565 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 34a_100000210712_100000090808 [1,1,0,0,0,0|2,0,0]=4 1566 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 7a_100000210712_100000090808 [1,1,0,0,0,0|2,0,0]=4 1567 B17R0.195 CCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210670 [1,1,0,0,0,0|2,0,0]=4 1568 B17R0.195 CCCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210670 [1,1,0,0,0,0|2,0,0]=4 1569 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 2230a_100000229939_100009816466 [1,1,0,0,0,0|2,0,0]=4 1570 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 34a_100000229939_100009816466 [1,1,0,0,0,0|2,0,0]=4 1571 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210759 [1,1,0,0,0,0|2,0,0]=4 1572 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000210232_100009816466 [1,1,0,0,0,0|2,0,0]=4 1573 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210759 [1,1,0,0,0,0|2,0,0]=4 1574 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000210232_100009816466 [1,1,0,0,0,0|2,0,0]=4 1575 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100000210759_100009816466 [1,1,0,0,0,0|2,0,0]=4 1576 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210317 [1,1,0,0,0,0|2,0,0]=4 1577 B17R0.195 CCCCCCCNCCCCCCC(=O)OC 2230a_100000229938_100009815986 [1,1,0,0,0,0|2,0,0]=4 1578 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100000210272_100009815986 [1,1,0,0,0,0|2,0,0]=4 1579 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210614 [1,1,0,0,0,0|2,0,0]=4 1580 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100000210272_100009815986 [1,1,0,0,0,0|2,0,0]=4 1581 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210614 [1,1,0,0,0,0|2,0,0]=4 1582 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100000210614_100009815986 [1,1,0,0,0,0|2,0,0]=4 1583 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210316 [1,1,0,0,0,0|2,0,0]=4 1584 B17R0.195 CCCCCCNCCCCCCCC(=O)OC 2230a_100000210581_100010004213 [1,1,0,0,0,0|2,0,0]=4 1585 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100000210259_100010004213 [1,1,0,0,0,0|2,0,0]=4 1586 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210314 [1,1,0,0,0,0|2,0,0]=4 1587 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100000210259_100010004213 [1,1,0,0,0,0|2,0,0]=4 1588 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210314 [1,1,0,0,0,0|2,0,0]=4 1589 B17R0.195 CCCCCCOCCOCCOCC(=O)CC 7a_100000032842_100000747405 [1,1,0,0,0,0|2,0,0]=4 1590 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100000210314_100010004213 [1,1,0,0,0,0|2,0,0]=4 1591 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210757 [1,1,0,0,0,0|2,0,0]=4 1592 B17R0.195 CCCCCNCCCCCCCCC(=O)OC 2230a_100000209983_100010282707 [1,1,0,0,0,0|2,0,0]=4 1593 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000718602 [1,1,0,0,0,0|2,0,0]=4 1594 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000210253_100010282707 [1,1,0,0,0,0|2,0,0]=4 1595 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210326 [1,1,0,0,0,0|2,0,0]=4 1596 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000210253_100010282707 [1,1,0,0,0,0|2,0,0]=4 1597 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100000210326_100010282707 [1,1,0,0,0,0|2,0,0]=4 1598 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210326 [1,1,0,0,0,0|2,0,0]=4 1599 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 2230a_100000102301_100009813843 [1,1,0,0,0,0|2,0,0]=4 1600 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 7a_106832991798_100009813843 [1,1,0,0,0,0|2,0,0]=4 1601 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 34a_100000210227_100009813843 [1,1,0,0,0,0|2,0,0]=4 1602 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 7a_100000210227_100009813843 [1,1,0,0,0,0|2,0,0]=4 1603 B17R0.195 CCCCSCCCCCCCCCC(=O)OC 62a_100000210211_100009813843 [1,1,0,0,0,0|2,0,0]=4 1604 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100000210258_100009812566 [1,1,0,0,0,0|2,0,0]=4 1605 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210303 [1,1,0,0,0,0|2,0,0]=4 1606 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210303 [1,1,0,0,0,0|2,0,0]=4 1607 B17R0.195 CCCSCCCCCCCCCCC(=O)OC 62a_100000210303_100009812566 [1,1,0,0,0,0|2,0,0]=4 1608 B17R0.195 CCNCCCCCCCCCCCC(=O)OC 2230a_100015525214_100010983606 [1,1,0,0,0,0|2,0,0]=4 1609 B17R0.195 CCOCCCCCCCCCCCC(=O)OC 34a_100121572206_100010983606 [1,1,0,0,0,0|2,0,0]=4 1610 B17R0.195 CCOCCCCCCCCCOCC(=O)CC 7a_100009875440_100000747405 [1,1,0,0,0,0|1,0,0]=3 1611 B17R0.195 CCOCCCCCCCCCOCC(=O)NC 34a_100009875440_100000183359 [1,1,0,0,0,0|2,0,0]=4 1612 B17R0.195 CCOCCCCCCCCCOCC(=O)NC 7a_100009875440_100000183359 [1,1,0,0,0,0|2,0,0]=4 1613 B17R0.195 CCOCCCCCCCCCOCC(=O)OC 34a_100009875440_100000747449 [1,1,0,0,0,0|2,0,0]=4 1614 B17R0.195 CCOCCCCCCCCCOCC(=O)OC 7a_100009875440_100000747449 [1,1,0,0,0,0|2,0,0]=4 1615 B17R0.195 CCSCCCCCCCCCCCC(=O)OC 62a_100000210202_100010983606 [1,1,0,0,0,0|2,0,0]=4 1616 B17R0.195 CNC(=O)CCCCCCCCCCCCCO 240690a_100102657272_100020644313 [1,1,0,0,0,0|2,0,0]=4 1617 B17R0.195 CNC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000183359 [1,1,0,0,0,0|2,0,0]=4 1618 B17R0.195 CNC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000183359 [1,1,0,0,0,0|2,0,0]=4 1619 B17R0.195 CNC(=O)COCCCCCCCCCCCO 34a_100000750040_100009812471 [1,1,0,0,0,0|2,0,0]=4 1620 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 2708a_100000066677_106832991635 [1,1,0,0,0,0|2,0,0]=4 1621 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 2708a_100102657272_100000066677 [1,1,0,0,0,0|2,0,0]=4 1622 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 273464a_100000066677_100102657272 [1,1,0,0,0,0|2,0,0]=4 1623 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 273464a_100102657272_100000066677 [1,1,0,0,0,0|2,0,0]=4 1624 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 512a_100000066677_100102657272 [1,1,0,0,0,0|2,0,0]=4 1625 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 512a_106832991638_100000066677 [1,1,0,0,0,0|2,0,0]=4 1626 B17R0.195 CNC(=O)OCCNCCCCCCCCCO 34a_100000078944_200011997002 [1,1,0,0,0,0|2,0,0]=4 1627 B17R0.195 CNC(=O)OCCOCCCCCCCCCBr 34a_100009813782_200011997002 [1,1,0,0,0,0|2,0,0]=4 1628 B17R0.195 CNC(=O)OCCOCCCCCCCCCBr 7a_100009813782_200011997002 [1,1,0,0,0,0|2,0,0]=4 1629 B17R0.195 CNC(=O)OCCOCCCCCCCCCCl 34a_100009868337_200011997002 [1,1,0,0,0,0|2,0,0]=4 1630 B17R0.195 CNC(=O)OCCOCCCCCCCCCCl 7a_100009868337_200011997002 [1,1,0,0,0,0|2,0,0]=4 1631 B17R0.195 CNC(=O)OCCOCCCCCCCCCN 34a_100000078944_200011997002 [1,1,0,0,0,0|2,0,0]=4 1632 B17R0.195 CNC(=O)OCCSCCCCCCCCCO 62a_100009813782_200011997002 [1,1,0,0,0,0|2,0,0]=4 1633 B17R0.195 CNC(=O)OCCSCCCCCCCCCO 62a_200011997002_100009813782 [1,1,0,0,0,0|2,0,0]=4 1634 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 2230a_106832991635_209314222159 [1,1,0,0,0,0|2,0,0]=4 1635 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 34a_100102657272_209314222159 [1,1,0,0,0,0|2,0,0]=4 1636 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 7a_106832991635_209314222159 [1,1,0,0,0,0|2,0,0]=4 1637 B17R0.195 COC(=O)CCCCCCCCCCCCSC 62a_200000210301_209314222159 [1,1,0,0,0,0|2,0,0]=4 1638 B17R0.195 COC(=O)CCCCCCCCCCCCS[13CH3] 62a_200025704644_209314222159 [1,1,0,0,0,0|2,0,0]=4 1639 B17R0.195 COC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000747449 [1,1,0,0,0,0|2,0,0]=4 1640 B17R0.195 COC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000747449 [1,1,0,0,0,0|2,0,0]=4 1641 B17R0.195 COC(=O)OCCOCCCCCCCCCO 34a_100010262106_100009813782 [1,1,0,0,0,0|2,0,0]=4 1642 B17R0.195 COC(=O)OCSCCCCCCCCCCO 62a_100009813290_100000139417 [1,1,0,0,0,0|2,0,0]=4 1643 B17R0.195 COCCCCCCCCCCCCC(=O)OC 34a_100138415774_209314222159 [1,1,0,0,0,0|2,0,0]=4 1644 B17R0.195 O=C(CO)CCCCCCCCCCCCCO 1458a_100000210174_100009812470 [1,1,0,0,0,0|1,0,0]=3 1645 B17R0.195 O=C(CO)NCCCCCCCCCCCCO 240690a_100000066677_100000210174 [1,1,0,0,0,0|1,0,0]=3 1646 B17R0.250 C#CCC(=O)NCCCCCCCCCCCC 1626a_100000210451_100011220946 [1,1,0,0,0,0|1,0,1]=4 1647 B17R0.250 C#CCC(=O)NCCCCCCCCCCCC 527a_100000210451_100011220946 [1,1,0,0,0,0|1,0,1]=4 1648 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 11a_100000210451_100000210193 [1,1,0,0,0,0|1,0,1]=4 1649 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000210193 [1,1,0,0,0,0|1,0,1]=4 1650 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000210193 [1,1,0,0,0,0|1,0,1]=4 1651 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 527a_100000210451_100000210193 [1,1,0,0,0,0|1,0,1]=4 1652 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 11a_100000210451_100000210699 [1,1,0,0,0,0|1,0,1]=4 1653 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000210699 [1,1,0,0,0,0|1,0,1]=4 1654 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000210699 [1,1,0,0,0,0|1,0,1]=4 1655 B17R0.250 CCCC(=O)CCCCCCCCCCCCO 1458a_100000211992_100009813331 [1,1,0,0,0,0|2,0,0]=4 1656 B17R0.250 CCCC(=O)OCNCCCCCCCCCO 2230a_100000078944_100000034017 [1,1,0,0,0,0|2,0,0]=4 1657 B17R0.250 CCCC(=O)OCNCCCCCCCCCO 34a_100000078944_100000034017 [1,1,0,0,0,0|2,0,0]=4 1658 B17R0.250 CCCC(=O)OCOCCCCCCCCCBr 34a_100009813782_100000034017 [1,1,0,0,0,0|2,0,0]=4 1659 B17R0.250 CCCC(=O)OCOCCCCCCCCCCl 34a_100009868337_100000034017 [1,1,0,0,0,0|2,0,0]=4 1660 B17R0.250 CCCC(=O)OCOCCCCCCCCCN 34a_100000078944_100000034017 [1,1,0,0,0,0|2,0,0]=4 1661 B17R0.250 CCCC(=O)OCSCCCCCCCCCO 62a_100009813782_100000034017 [1,1,0,0,0,0|2,0,0]=4 1662 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100000756256_100000211926 [1,1,0,0,0,0|1,0,0]=3 1663 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210684 [1,1,0,0,0,0|1,0,0]=3 1664 B17R0.250 CCCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000210684 [1,1,0,0,0,0|1,0,0]=3 1665 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 11a_100015525214_100000756256 [1,1,0,0,0,0|1,0,0]=3 1666 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000756256 [1,1,0,0,0,0|1,0,0]=3 1667 B17R0.250 CCCCCCCCCCCCCC(=O)NNC 22a_100016993582_100000756256 [1,1,0,0,0,0|2,0,0]=4 1668 B17R0.250 CCCCCCCCCCCCNC(=O)CC#N 1626a_100000210451_100051588842 [1,1,0,0,0,0|1,0,1]=4 1669 B17R0.250 CCCCCCCCCCCCNC(=O)CC#N 240690a_100000210451_100051588842 [1,1,0,0,0,0|1,0,1]=4 1670 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 11a_100000210451_100000211992 [1,1,0,0,0,0|1,0,0]=3 1671 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 1626a_100000210451_100000211992 [1,1,0,0,0,0|1,0,0]=3 1672 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 240690a_100000210451_100000211992 [1,1,0,0,0,0|1,0,0]=3 1673 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 527a_100000210451_100000211992 [1,1,0,0,0,0|1,0,0]=3 1674 B17R0.250 CCCCCCCCCCCCNC(=O)CCO 240690a_100000210451_100011216618 [1,1,0,0,0,0|1,0,0]=3 1675 B17R0.250 CCCCCCCCCCCCNC(=O)COC 11a_100000210451_100000210968 [1,1,0,0,0,0|1,0,0]=3 1676 B17R0.250 CCCCCCCCCCCCNC(=O)COC 1626a_100000210451_100000210968 [1,1,0,0,0,0|1,0,0]=3 1677 B17R0.250 CCCCCCCCCCCCNC(=O)COC 240690a_100000210451_100000210968 [1,1,0,0,0,0|1,0,0]=3 1678 B17R0.250 CCCCCCCCCCCCNC(=O)COC 527a_100000210451_100000210968 [1,1,0,0,0,0|1,0,0]=3 1679 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 11a_100000210451_100000184570 [1,1,0,0,0,0|1,0,0]=3 1680 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 1626a_100000210451_100000184570 [1,1,0,0,0,0|1,0,0]=3 1681 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 240690a_100000210451_100000184570 [1,1,0,0,0,0|1,0,0]=3 1682 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 527a_100000210451_100000184570 [1,1,0,0,0,0|1,0,0]=3 1683 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 2708a_100000210451_100015525214 [1,1,0,0,0,0|1,0,0]=3 1684 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000210451 [1,1,0,0,0,0|1,0,0]=3 1685 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 273464a_100000210451_100015525214 [1,1,0,0,0,0|1,0,0]=3 1686 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000210451 [1,1,0,0,0,0|1,0,0]=3 1687 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 512a_100000210451_100015525214 [1,1,0,0,0,0|1,0,0]=3 1688 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 512a_100015525214_100000210451 [1,1,0,0,0,0|1,0,0]=3 1689 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 273464a_100000210451_100016993582 [1,1,0,0,0,0|2,0,0]=4 1690 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 512a_100000210451_100016993582 [1,1,0,0,0,0|2,0,0]=4 1691 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 512a_100016993582_100000210451 [1,1,0,0,0,0|2,0,0]=4 1692 B17R0.250 CCCCCCCCCCCCOC(C)CCO 34a_100000210810_100009893172 [1,1,0,0,0,0|1,0,1]=4 1693 B17R0.250 CCCCCCCCCCCCOC(C)CCO 7a_100000210810_100009893172 [1,1,0,0,0,0|1,0,1]=4 1694 B17R0.250 CCCCCCCCCCCCOC(C)COC 34a_100000210810_100000765312 [1,1,0,0,0,0|1,0,1]=4 1695 B17R0.250 CCCCCCCCCCCCOC(C)COC 7a_100000210810_100000765312 [1,1,0,0,0,0|1,0,1]=4 1696 B17R0.250 CCCCCCCCCCCCO[C@H](C)COC 34a_100011934205_100000759014 [1,1,0,0,0,0|1,0,1]=4 1697 B17R0.250 CCCCCCCCCCCNCC(=O)CCC 2230a_200011215754_100000747444 [1,1,0,0,0,0|2,0,0]=4 1698 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011215454 [1,1,0,0,0,0|2,0,0]=4 1699 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 2230a_200011215754_100000183381 [1,1,0,0,0,0|2,0,0]=4 1700 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 34a_200011215754_100000183381 [1,1,0,0,0,0|2,0,0]=4 1701 B17R0.250 CCCCCCCCCCCNCC(=O)NCO 2230a_200011215754_100000185155 [1,1,0,0,0,0|2,0,0]=4 1702 B17R0.250 CCCCCCCCCCCNCC(=O)NCO 34a_200011215754_100000185155 [1,1,0,0,0,0|2,0,0]=4 1703 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 2230a_200011215754_100000188475 [1,1,0,0,0,0|2,0,0]=4 1704 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 34a_200011215754_100000188475 [1,1,0,0,0,0|2,0,0]=4 1705 B17R0.250 CCCCCCCCCCCOCC(=O)CCC 7a_100000210809_100000747444 [1,1,0,0,0,0|2,0,0]=4 1706 B17R0.250 CCCCCCCCCCCOCC(=O)NCC 34a_100000210809_100000183381 [1,1,0,0,0,0|2,0,0]=4 1707 B17R0.250 CCCCCCCCCCCOCC(=O)NCC 7a_100000210809_100000183381 [1,1,0,0,0,0|2,0,0]=4 1708 B17R0.250 CCCCCCCCCCCOCC(=O)NCO 34a_100000210809_100000185155 [1,1,0,0,0,0|2,0,0]=4 1709 B17R0.250 CCCCCCCCCCCOCC(=O)NCO 7a_100000210809_100000185155 [1,1,0,0,0,0|2,0,0]=4 1710 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 34a_100000210809_100000188475 [1,1,0,0,0,0|2,0,0]=4 1711 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 7a_100000210809_100000188475 [1,1,0,0,0,0|2,0,0]=4 1712 B17R0.250 CCCCCCCCCCCSCC(=O)NCC 62a_100000183381_100011215454 [1,1,0,0,0,0|2,0,0]=4 1713 B17R0.250 CCCCCCCCCCCSCC(=O)NCO 62a_100000185155_100011215454 [1,1,0,0,0,0|2,0,0]=4 1714 B17R0.250 CCCCCCCCCCCSCC(=O)OCC 62a_100000188475_100011215454 [1,1,0,0,0,0|2,0,0]=4 1715 B17R0.250 CCCCCCCCCCNCCC(=O)NCC 2230a_100000684558_100000737597 [1,1,0,0,0,0|2,0,0]=4 1716 B17R0.250 CCCCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210320 [1,1,0,0,0,0|2,0,0]=4 1717 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 2230a_100000684558_100011206558 [1,1,0,0,0,0|2,0,0]=4 1718 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 34a_100000684558_100000765890 [1,1,0,0,0,0|2,0,0]=4 1719 B17R0.250 CCCCCCCCCCNCOC(=O)CCC 2230a_100000684558_100000034017 [1,1,0,0,0,0|1,0,0]=3 1720 B17R0.250 CCCCCCCCCCNCOC(=O)CCC 34a_100000684558_100000034017 [1,1,0,0,0,0|1,0,0]=3 1721 B17R0.250 CCCCCCCCCCOCCC(=O)NCC 7a_100000210711_100000737597 [1,1,0,0,0,0|2,0,0]=4 1722 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 34a_100000210711_100000765890 [1,1,0,0,0,0|2,0,0]=4 1723 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 7a_100000210711_100011206558 [1,1,0,0,0,0|2,0,0]=4 1724 B17R0.250 CCCCCCCCCCOCOC(=O)CCC 34a_100000210711_100000034017 [1,1,0,0,0,0|1,0,0]=3 1725 B17R0.250 CCCCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210320 [1,1,0,0,0,0|2,0,0]=4 1726 B17R0.250 CCCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210320 [1,1,0,0,0,0|2,0,0]=4 1727 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 2230a_100000212291_100009991533 [1,1,0,0,0,0|2,0,0]=4 1728 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 34a_100000212291_100009991533 [1,1,0,0,0,0|2,0,0]=4 1729 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 34a_100000210712_100009991533 [1,1,0,0,0,0|2,0,0]=4 1730 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100000210712_100011215271 [1,1,0,0,0,0|2,0,0]=4 1731 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210328 [1,1,0,0,0,0|2,0,0]=4 1732 B17R0.250 CCCCCCCCCOCCNC(=O)OCC 34a_100000158857_100011214924 [1,1,0,0,0,0|2,0,0]=4 1733 B17R0.250 CCCCCCCCCOCCNC(=O)OCC 7a_100000210712_200011445536 [1,1,0,0,0,0|2,0,0]=4 1734 B17R0.250 CCCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210670 [1,1,0,0,0,0|2,0,0]=4 1735 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 2230a_100000229939_100000750268 [1,1,0,0,0,0|2,0,0]=4 1736 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 34a_100000229939_100000750268 [1,1,0,0,0,0|2,0,0]=4 1737 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 34a_100000210232_100000750268 [1,1,0,0,0,0|2,0,0]=4 1738 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 7a_100000210232_100000750268 [1,1,0,0,0,0|2,0,0]=4 1739 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000210759_100000750268 [1,1,0,0,0,0|2,0,0]=4 1740 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210317 [1,1,0,0,0,0|2,0,0]=4 1741 B17R0.250 CCCCCCCNCCCCCC(=O)OCC 2230a_100000229938_100000755133 [1,1,0,0,0,0|2,0,0]=4 1742 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 34a_100000210272_100000755133 [1,1,0,0,0,0|2,0,0]=4 1743 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100000210272_100000755133 [1,1,0,0,0,0|2,0,0]=4 1744 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210614 [1,1,0,0,0,0|2,0,0]=4 1745 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000210614_100000755133 [1,1,0,0,0,0|2,0,0]=4 1746 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210316 [1,1,0,0,0,0|2,0,0]=4 1747 B17R0.250 CCCCCCNCCCCCCC(=O)OCC 2230a_100000210581_100009814379 [1,1,0,0,0,0|2,0,0]=4 1748 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 34a_100000210259_100009814379 [1,1,0,0,0,0|2,0,0]=4 1749 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 7a_100000210259_100009814379 [1,1,0,0,0,0|2,0,0]=4 1750 B17R0.250 CCCCCCSCCCCCCC(=O)OCC 62a_100000210314_100009814379 [1,1,0,0,0,0|2,0,0]=4 1751 B17R0.250 CCCCCNCCCCCCCC(=O)OCC 2230a_100000209983_100009991516 [1,1,0,0,0,0|2,0,0]=4 1752 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 34a_100000210253_100009991516 [1,1,0,0,0,0|2,0,0]=4 1753 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 7a_100000210253_100009991516 [1,1,0,0,0,0|2,0,0]=4 1754 B17R0.250 CCCCCSCCCCCCCC(=O)OCC 62a_100000210326_100009991516 [1,1,0,0,0,0|2,0,0]=4 1755 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 2230a_100000102301_100010175975 [1,1,0,0,0,0|2,0,0]=4 1756 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 7a_106832991798_100010175975 [1,1,0,0,0,0|2,0,0]=4 1757 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 34a_100000210227_100010175975 [1,1,0,0,0,0|2,0,0]=4 1758 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 7a_100000210227_100010175975 [1,1,0,0,0,0|2,0,0]=4 1759 B17R0.250 CCCCSCCCCCCCCC(=O)OCC 62a_100000210211_100010175975 [1,1,0,0,0,0|2,0,0]=4 1760 B17R0.250 CCCOCCCCCCCCCC(=O)OCC 34a_100000210258_100009828014 [1,1,0,0,0,0|2,0,0]=4 1761 B17R0.250 CCCSCCCCCCCCCC(=O)OCC 62a_100000210303_100009828014 [1,1,0,0,0,0|2,0,0]=4 1762 B17R0.250 CCNC(=O)CCCCCCCCCCCCO 240690a_100015525214_100102582631 [1,1,0,0,0,0|2,0,0]=4 1763 B17R0.250 CCNCCCCCCCCCCC(=O)OCC 2230a_100015525214_100009827693 [1,1,0,0,0,0|2,0,0]=4 1764 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 2230a_106832991635_100103168309 [1,1,0,0,0,0|2,0,0]=4 1765 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 34a_100102657272_100103168309 [1,1,0,0,0,0|2,0,0]=4 1766 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 7a_106832991635_100103168309 [1,1,0,0,0,0|2,0,0]=4 1767 B17R0.250 CCOC(=O)CCCCCCCCCCCOC 34a_100138415774_100103168309 [1,1,0,0,0,0|2,0,0]=4 1768 B17R0.250 CCOC(=O)CCCCCCCCCCCSC 62a_200000210301_100103168309 [1,1,0,0,0,0|2,0,0]=4 1769 B17R0.250 CCOC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100103168309 [1,1,0,0,0,0|2,0,0]=4 1770 B17R0.250 CCOC(=O)CCCCCCCCCCSCC 62a_100000210202_100009827693 [1,1,0,0,0,0|2,0,0]=4 1771 B17R0.250 CCOC(=O)OCSCCCCCCCCCO 62a_100009813782_100000075025 [1,1,0,0,0,0|2,0,0]=4 1772 B17R0.250 CCOCCCCCCCCCCC(=O)OCC 34a_100121572206_100009827693 [1,1,0,0,0,0|2,0,0]=4 1773 B17R0.250 COCC(=O)CCCCCCCCCCCCO 1458a_100000210968_100009813331 [1,1,0,0,0,0|2,0,0]=4 1774 B17R0.250 CSCC(=O)CCCCCCCCCCCCO 1458a_100000184570_100009813331 [1,1,0,0,0,0|2,0,0]=4 1775 B17R0.250 O=C(CCO)CCCCCCCCCCCCO 1458a_100011216618_100009813331 [1,1,0,0,0,0|2,0,0]=4 1776 B17R0.3112 CCCCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000759014 [1,1,0,0,0,0|2,0,0]=4 1777 B17R0.3112 CCCCCCCCCCCCC(C)C(=O)CO 1458a_100000210174_200011217028 [1,1,0,0,0,0|1,0,0]=3 1778 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 11a_100000227908_100000210414 [1,1,0,0,0,0|1,0,0]=3 1779 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 1626a_100000227908_100000210414 [1,1,0,0,0,0|1,0,0]=3 1780 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 240690a_100000227908_100000210414 [1,1,0,0,0,0|1,0,0]=3 1781 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 527a_100000227908_100000210414 [1,1,0,0,0,0|1,0,0]=3 1782 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CO 240690a_100000227908_100000210174 [1,1,0,0,0,0|1,0,0]=3 1783 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CO 527a_100000227908_100000210174 [1,1,0,0,0,0|1,0,0]=3 1784 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000227908 [1,1,0,0,0,0|2,0,0]=4 1785 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000227908 [1,1,0,0,0,0|2,0,0]=4 1786 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)CC 2230a_200011215754_100000742827 [1,1,0,0,0,0|2,0,0]=4 1787 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)CC 7a_100000210809_100000742827 [1,1,0,0,0,0|2,0,0]=4 1788 B17R0.5801 CCCCC(C)CCCCOCCOC(=O)NC 34a_200011021034_200011997002 [1,1,0,0,0,0|2,0,0]=4 1789 B17R0.5801 CCCCC(C)CCCCOCCOC(=O)NC 7a_200011021034_200011997002 [1,1,0,0,0,0|2,0,0]=4 1790 B17R0.8798 CCCCCCCCCC(=O)CCOC(=O)NC 1458a_100000210558_200011997002 [1,1,0,0,0,0|1,0,1]=4 1791 B17R0.8798 CCCCCCCCCN(C)CCOC(=O)NC 269982a_100000232482_200011997002 [1,1,0,0,0,0|2,0,0]=4 1792 B17R0.12415 CCCCCCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210319 [1,1,0,0,0,0|1,0,1]=4 1793 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)CC 7a_100011215000_100000747405 [1,1,0,0,0,0|2,0,0]=4 1794 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)CC 1458a_100000210736_100000747405 [1,1,0,0,0,0|1,0,1]=4 1795 B17R0.13601 CCCCCCCCCCCC(C)OC(C)CO 34a_100011217895_100012180447 [1,1,0,0,0,0|1,0,1]=4 1796 B17R0.13601 CCCCCCCCCCCC(C)OC(C)CO 7a_100011217895_100012180447 [1,1,0,0,0,0|1,0,1]=4 1797 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)NC 1626a_100102657272_100000082106 [1,1,0,0,0,0|2,0,0]=4 1798 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)NC 240690a_100102657272_100000082106 [1,1,0,0,0,0|2,0,0]=4 1799 B17R0.14363 CNC(=O)OCCOCCCCCCCC(C)C 34a_200000210741_200011997002 [1,1,0,0,0,0|2,0,0]=4 1800 B17R0.14363 CNC(=O)OCCOCCCCCCCC(C)C 7a_200000210741_200011997002 [1,1,0,0,0,0|2,0,0]=4 1801 B17R0.14367 CCCCCCCCCCCCNS(=O)(=O)CC 270084a_100000210451_100000211323 [1,1,0,0,0,0|2,0,0]=4 1802 B17R0.14367 CCCCCCCCCCCCNS(=O)(=O)CC 274078a_100000210451_100000211323 [1,1,0,0,0,0|2,0,0]=4 1803 B17R0.14367 CCCCCCCCCCCCNS(=O)(=O)CC 40a_100000210451_100000053943 [1,1,0,0,0,0|2,0,0]=4 1804 B17R0.46 C=CCCCCCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100011093070 [1,1,0,0,0,0|0,0,2]=4 1805 B17R0.46 CC(C)(C)C(=O)CCCCCCCCCCCO 1458a_106744555173_100009812471 [1,1,0,0,0,0|2,0,0]=4 1806 B17R0.46 CC(C)(F)C(=O)CCCCCCCCCCCO 1458a_100000765255_100009812471 [1,1,0,0,0,0|2,0,0]=4 1807 B17R0.46 CC(C)(O)C(=O)CCCCCCCCCCCO 1458a_100000242741_100009812471 [1,1,0,0,0,0|1,0,0]=3 1808 B17R0.46 CC(C)(O)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000242741 [1,1,0,0,0,0|2,0,0]=4 1809 B17R0.46 CCCCC#CCCCCCCC(=O)C(C)(C)O 1458a_100000242741_200000043322 [1,1,0,0,0,0|0,0,2]=4 1810 B17R0.46 CCCCCCCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000759014 [1,1,0,0,0,0|0,0,0]=2 1811 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)C 11a_200011215754_106744555173 [1,1,0,0,0,0|2,0,0]=4 1812 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)C 1626a_200011215754_106744555173 [1,1,0,0,0,0|2,0,0]=4 1813 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)C 240690a_200011215754_106744555173 [1,1,0,0,0,0|2,0,0]=4 1814 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)C 527a_200011215754_106744555173 [1,1,0,0,0,0|2,0,0]=4 1815 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)F 11a_200011215754_100000765255 [1,1,0,0,0,0|2,0,0]=4 1816 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)F 1626a_200011215754_100000765255 [1,1,0,0,0,0|2,0,0]=4 1817 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)F 240690a_200011215754_100000765255 [1,1,0,0,0,0|2,0,0]=4 1818 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)F 527a_200011215754_100000765255 [1,1,0,0,0,0|2,0,0]=4 1819 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)O 240690a_200011215754_100000242741 [1,1,0,0,0,0|1,0,0]=3 1820 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(F)F 11a_200011215754_100000042251 [1,1,0,0,0,0|2,0,0]=4 1821 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(F)F 1626a_200011215754_100000042251 [1,1,0,0,0,0|2,0,0]=4 1822 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(F)F 240690a_200011215754_100000042251 [1,1,0,0,0,0|2,0,0]=4 1823 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(F)F 527a_200011215754_100000042251 [1,1,0,0,0,0|2,0,0]=4 1824 B17R0.46 CCCCCCCCCCNCC(=O)C(C)(C)C 34a_100000684558_100000229897 [1,1,0,0,0,0|2,0,0]=4 1825 B17R0.46 CCCCCCCCCCOCC(=O)C(C)(C)C 34a_100000210711_100000229897 [1,1,0,0,0,0|2,0,0]=4 1826 B17R0.46 CCCCCCCCCCOCC(=O)C(C)(C)C 34a_200011592769_100000210320 [1,1,0,0,0,0|2,0,0]=4 1827 B17R0.46 CCCCCCCCCCOCC(=O)C(C)(C)C 7a_100000210711_100000210923 [1,1,0,0,0,0|2,0,0]=4 1828 B17R0.46 CCCCCCCCCCOCC(=O)C(C)(C)C 7a_200011592769_100000210320 [1,1,0,0,0,0|2,0,0]=4 1829 B17R0.46 CCCCCCCCOCCOC(=O)C(C)(C)Br 34a_100009817195_100000210759 [1,1,0,0,0,0|2,0,0]=4 1830 B17R0.46 CCCCCCCCOCCOC(=O)C(C)(C)Br 7a_100009817195_100000210759 [1,1,0,0,0,0|2,0,0]=4 1831 B17R0.103 CCCCCCCCC(C)COCC(=O)C(C)C 34a_200012125181_100000753385 [1,1,0,0,0,0|2,0,0]=4 1832 B17R0.103 CCCCCCCCC(C)COCC(=O)C(C)C 7a_200012125181_100000753385 [1,1,0,0,0,0|2,0,0]=4 1833 B17R0.191 CCCCCCCCCCNC(C)C(=O)C(C)C 2230a_100000684558_100009893295 [1,1,0,0,0,0|2,0,0]=4 1834 B17R0.191 CCCCCCCCCCOC(C)C(=O)C(C)C 7a_100000210711_100009893295 [1,1,0,0,0,0|2,0,0]=4 1835 B17R0.1705 C[C@@H](O)C(=O)CCCCCCCCCCC(=O)N 1458a_100000717761_200010167045 [1,1,0,0,0,0|1,0,1]=4 1836 B17R0.1705 C[C@H](O)C(=O)CCCCCCCCCCC(=O)N 1458a_217856618621_200010167045 [1,1,0,0,0,0|1,0,1]=4 1837 B17R0.3111 CCCCCCCCCC(=O)COC(=O)C(C)C 1458a_100000210558_100000139345 [1,1,0,0,0,0|1,0,1]=4 1838 B17R0.3111 CCCCCCCCCC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_200010990708 [1,1,0,0,0,0|1,0,1]=4 1839 B17R0.3111 CCCCCCCCCC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_200010990708 [1,1,0,0,0,0|1,0,1]=4 1840 B17R0.3111 CCCCCCCCCC(C)OCC(=O)C(C)C 34a_100011218016_100000753385 [1,1,0,0,0,0|2,0,0]=4 1841 B17R0.3111 CCCCCCCCCC(C)OCC(=O)C(C)C 7a_100011218016_100000753385 [1,1,0,0,0,0|2,0,0]=4 1842 B17R0.3169 CCOC(=O)CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010175975 [1,1,0,0,0,0|1,0,1]=4 1843 B17R0.3169 CCOC(=O)CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100010175975 [1,1,0,0,0,0|1,0,1]=4 1844 B17R0.11647 COC(=O)CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009813843 [1,1,0,0,0,0|1,0,1]=4 1845 B17R0.11647 COC(=O)CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009813843 [1,1,0,0,0,0|1,0,1]=4 1846 B17R0.13610 CCCCCCCCCCC(=O)CC(=O)C(C)C 1458a_100000210375_100000753385 [1,1,0,0,0,0|1,0,1]=4 1847 B17R0.13610 CCCCCCCCCCN(C)CC(=O)C(C)C 2230a_100000207566_100000753385 [1,1,0,0,0,0|2,0,0]=4 1848 B17R0.13610 CCCCCCCCCCN(C)CC(=O)C(C)C 269982a_100000207566_100000753385 [1,1,0,0,0,0|2,0,0]=4 1849 B17R0.43 CC(Br)COCCCCCCCCCCCCO 34a_100012180447_100009813331 [1,1,0,0,0,0|1,0,1]=4 1850 B17R0.43 CC(C)COCCCCCCCCCCCCN 34a_100000066677_100000210624 [1,1,0,0,0,0|1,0,1]=4 1851 B17R0.43 CC(C)COCCCCCCCCCCCCO 34a_100000210257_100009813331 [1,1,0,0,0,0|1,0,1]=4 1852 B17R0.43 CC(F)COCCCCCCCCCCCCO 34a_100015925927_100009813331 [1,1,0,0,0,0|1,0,1]=4 1853 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 34a_100009812471_100012276601 [1,1,0,0,0,0|1,0,1]=4 1854 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 7a_100009812471_100012276601 [1,1,0,0,0,0|1,0,1]=4 1855 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000066677_100011218427 [1,1,0,0,0,0|1,0,1]=4 1856 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000210904_100009813331 [1,1,0,0,0,0|1,0,1]=4 1857 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000066677_100011218427 [1,1,0,0,0,0|1,0,1]=4 1858 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000210904_100009813331 [1,1,0,0,0,0|1,0,1]=4 1859 B17R0.43 CC(O)COCCCCCCCCCCCCBr 34a_100009813331_100011218427 [1,1,0,0,0,0|0,0,1]=3 1860 B17R0.43 CC(O)COCCCCCCCCCCCCBr 7a_100009813331_100011218427 [1,1,0,0,0,0|0,0,1]=3 1861 B17R0.43 CC(O)COCCCCCCCCCCCCN 34a_100000066677_100011218427 [1,1,0,0,0,0|0,0,1]=3 1862 B17R0.43 CC(O)COCCCCCOCCCCCCCl 34a_200132310570_100011218427 [1,1,0,0,0,0|1,0,1]=4 1863 B17R0.43 CC(O)COCCCCCOCCCCCCCl 7a_200132310570_100011218427 [1,1,0,0,0,0|1,0,1]=4 1864 B17R0.43 CC(O)CSCCCCCCCCCCCCO 62a_100009813331_100011218427 [1,1,0,0,0,0|0,1,1]=4 1865 B17R0.43 CCCCCCCCCC/C=C/COCC(C)O 34a_200025761149_100011218427 [1,1,0,0,0,0|0,0,2]=4 1866 B17R0.43 CCCCCCCCCC/C=C/COCC(C)O 7a_200025761149_100011218427 [1,1,0,0,0,0|0,0,2]=4 1867 B17R0.43 CCCCCCCCCC/C=C/COC[C@@H](C)O 34a_200025761149_100009817552 [1,1,0,0,0,0|0,0,2]=4 1868 B17R0.43 CCCCCCCCCC/C=C/COC[C@@H](C)O 7a_200025761149_100009817552 [1,1,0,0,0,0|0,0,2]=4 1869 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100000210904_100000210684 [1,1,0,0,0,0|1,0,1]=4 1870 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100011215765_100011218427 [1,1,0,0,0,0|1,0,1]=4 1871 B17R0.43 CCCCCCCCCCCCCNCC(C)O 270004a_100000210904_200011215488 [1,1,0,0,0,0|1,0,1]=4 1872 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100000210904_100000210684 [1,1,0,0,0,0|1,0,1]=4 1873 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100011215765_100011218427 [1,1,0,0,0,0|1,0,1]=4 1874 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 2230a_100011215765_100009817552 [1,1,0,0,0,0|1,0,1]=4 1875 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 34a_100011215765_100009817552 [1,1,0,0,0,0|1,0,1]=4 1876 B17R0.43 CCCCCCCCCCCCCOCC(C)O 34a_100000185773_100011218427 [1,1,0,0,0,0|0,0,1]=3 1877 B17R0.43 CCCCCCCCCCCCCOCC(C)O 7a_100000185773_100011218427 [1,1,0,0,0,0|0,0,1]=3 1878 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210684 [1,1,0,0,0,0|1,0,1]=4 1879 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 34a_100000185773_100009817552 [1,1,0,0,0,0|0,0,1]=3 1880 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 7a_100000185773_100009817552 [1,1,0,0,0,0|0,0,1]=3 1881 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_100000210451_100012276601 [1,1,0,0,0,0|1,0,1]=4 1882 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215052 [1,1,0,0,0,0|1,0,1]=4 1883 B17R0.43 CCCCCCCCCCCCNCCC(C)O 270004a_200000755665_100011218549 [1,1,0,0,0,0|1,0,1]=4 1884 B17R0.43 CCCCCCCCCCCCNCCC(C)O 34a_100000210451_100012276601 [1,1,0,0,0,0|1,0,1]=4 1885 B17R0.43 CCCCCCCCCCCCOCCC(C)O 34a_100000210810_100012276601 [1,1,0,0,0,0|0,0,1]=3 1886 B17R0.43 CCCCCCCCCCCCOCCC(C)O 7a_100000210810_100012276601 [1,1,0,0,0,0|0,0,1]=3 1887 B17R0.43 CCCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000759014 [1,1,0,0,0,0|1,0,1]=4 1888 B17R0.43 CCCCCCCCCCCNCCCC(C)O 2230a_200011215754_200000718107 [1,1,0,0,0,0|1,0,1]=4 1889 B17R0.43 CCCCCCCCCCCNCCCC(C)O 34a_200011215754_200000718107 [1,1,0,0,0,0|1,0,1]=4 1890 B17R0.43 CCCCCCCCCCCOCCCC(C)O 34a_100000210809_200000718107 [1,1,0,0,0,0|1,0,1]=4 1891 B17R0.43 CCCCCCCCCCCOCCCC(C)O 7a_100000210809_200000718107 [1,1,0,0,0,0|1,0,1]=4 1892 B17R0.43 CCCCCCCCCCOCCOCC(C)C 34a_100000703358_100000210320 [1,1,0,0,0,0|1,0,1]=4 1893 B17R0.43 CCCCCCCCCCOCCOCC(C)C 7a_100000703358_100000210320 [1,1,0,0,0,0|1,0,1]=4 1894 B17R0.43 CCCCCCCCCCSCCOCC(C)O 34a_100011628728_100011218427 [1,1,0,0,0,0|0,0,1]=3 1895 B17R0.43 CCCCCCCCCCSCCOCC(C)O 7a_100011628728_100011218427 [1,1,0,0,0,0|0,0,1]=3 1896 B17R0.43 CCCCCCCCCCSCCOC[C@@H](C)O 34a_100011628728_100009817552 [1,1,0,0,0,0|0,0,1]=3 1897 B17R0.43 CCCCCCCCCCSCCOC[C@@H](C)O 7a_100011628728_100009817552 [1,1,0,0,0,0|0,0,1]=3 1898 B17R0.43 CCCCCCCCCNCCCOCC(C)C 2230a_100000205972_100011214924 [1,1,0,0,0,0|1,0,1]=4 1899 B17R0.43 CCCCCCCCCNCCCOCC(C)C 34a_100000205972_100011214924 [1,1,0,0,0,0|1,0,1]=4 1900 B17R0.43 CCOCCCCCCCCCOCCC(C)O 34a_100009875440_100012276601 [1,1,0,0,0,0|1,0,1]=4 1901 B17R0.43 CCOCCCCCCCCCOCCC(C)O 7a_100009875440_100012276601 [1,1,0,0,0,0|1,0,1]=4 1902 B17R0.43 C[C@@H](Cl)COCCCCCCCCCCCCO 34a_100016084084_100009813331 [1,1,0,0,0,0|1,0,1]=4 1903 B17R0.43 C[C@@H](N)COCCCCCCCCCCCCO 34a_100000737577_100009813331 [1,1,0,0,0,0|1,0,1]=4 1904 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 2230a_100000066677_100009817552 [1,1,0,0,0,0|1,0,1]=4 1905 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 34a_100000066677_100009817552 [1,1,0,0,0,0|1,0,1]=4 1906 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCBr 34a_100009813331_100009817552 [1,1,0,0,0,0|0,0,1]=3 1907 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCBr 7a_100009813331_100009817552 [1,1,0,0,0,0|0,0,1]=3 1908 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCN 34a_100000066677_100009817552 [1,1,0,0,0,0|0,0,1]=3 1909 B17R0.43 C[C@@H](O)COCCCCCOCCCCCCCl 34a_200132310570_100009817552 [1,1,0,0,0,0|1,0,1]=4 1910 B17R0.43 C[C@@H](O)COCCCCCOCCCCCCCl 7a_200132310570_100009817552 [1,1,0,0,0,0|1,0,1]=4 1911 B17R0.43 C[C@@H](O)CSCCCCCCCCCCCCO 62a_100009813331_100009817552 [1,1,0,0,0,0|0,1,1]=4 1912 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)O 1458a_100011215791_100011218427 [1,1,0,0,0,0|1,0,1]=4 1913 B17R0.116 CCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000759014 [1,1,0,0,0,0|1,0,1]=4 1914 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011215052 [1,1,0,0,0,0|1,0,1]=4 1915 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 2230a_100000227908_100011218427 [1,1,0,0,0,0|1,0,1]=4 1916 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000759014 [1,1,0,0,0,0|1,0,1]=4 1917 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 269982a_100000227908_100011218427 [1,1,0,0,0,0|1,0,1]=4 1918 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 270004a_100000227577_100011218549 [1,1,0,0,0,0|1,0,1]=4 1919 B17R0.116 CCCCCCCCCCCCN(C)C[C@@H](C)O 2230a_100000227908_100009817552 [1,1,0,0,0,0|1,0,1]=4 1920 B17R0.116 CCCCCCCCCCCCN(C)C[C@@H](C)O 269982a_100000227908_100009817552 [1,1,0,0,0,0|1,0,1]=4 1921 B17R0.192 CCCCCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011216755 [1,1,0,0,0,0|1,0,1]=4 1922 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 34a_100011217895_100011218427 [1,1,0,0,0,0|0,0,1]=3 1923 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 7a_100011217895_100011218427 [1,1,0,0,0,0|0,0,1]=3 1924 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 34a_100011217895_100009817552 [1,1,0,0,0,0|0,0,1]=3 1925 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 7a_100011217895_100009817552 [1,1,0,0,0,0|0,0,1]=3 1926 B17R0.197 CC(C)(O)COCCCCCCCCCCCBr 34a_100009812471_100000764493 [1,1,0,0,0,0|1,0,1]=4 1927 B17R0.197 CC(C)(O)COCCCCCCCCCCCBr 7a_100009812471_100000764493 [1,1,0,0,0,0|1,0,1]=4 1928 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 2230a_100000751335_100011215052 [1,1,0,0,0,0|1,0,1]=4 1929 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 270004a_100000751335_100011218549 [1,1,0,0,0,0|1,0,1]=4 1930 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 34a_100000210451_100000764493 [1,1,0,0,0,0|1,0,1]=4 1931 B17R0.197 CCCCCCCCCCCCOCC(C)(C)O 34a_100000210810_100000764493 [1,1,0,0,0,0|0,0,1]=3 1932 B17R0.197 CCCCCCCCCCCCOCC(C)(C)O 7a_100000210810_100000764493 [1,1,0,0,0,0|0,0,1]=3 1933 B17R0.197 CCOCCCCCCCCCOCC(C)(C)O 34a_100009875440_100000764493 [1,1,0,0,0,0|1,0,1]=4 1934 B17R0.197 CCOCCCCCCCCCOCC(C)(C)O 7a_100009875440_100000764493 [1,1,0,0,0,0|1,0,1]=4 1935 B17R1.11 CCCCCCCCCNC1CCC(=O)NC1 2230a_100000748762_100011214924 [1,0,0,1,0,0|2,0,0]=4 1936 B17R1.11 CCCCCCCCCNC1CCC(=O)NC1 34a_100000748762_100011214924 [1,0,0,1,0,0|2,0,0]=4 1937 B17R1.11 CCCCCCCCCOC1CCC(=O)CC1 34a_100000764474_100011214924 [1,0,0,1,0,0|2,0,0]=4 1938 B17R1.11 CCCCCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210328 [1,0,0,1,0,0|2,0,0]=4 1939 B17R1.11 CCCCCCCCCOC1CCC(=O)NC1 34a_100000079199_100011214924 [1,0,0,1,0,0|2,0,0]=4 1940 B17R1.11 CCCCCCCCOCC1CCC(=O)CC1 34a_100000062911_100000210759 [1,0,0,1,0,0|2,0,0]=4 1941 B17R1.23 CCCCCCCCCN1CCNC(=O)C1C 2230a_100000750721_100011214924 [1,0,0,1,0,0|2,0,0]=4 1942 B17R1.23 CCCCCCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210670 [1,0,0,1,0,0|2,0,0]=4 1943 B17R1.23 CCCCCCCCCN1CCNC(=O)C1C 34a_100000750721_100011214924 [1,0,0,1,0,0|2,0,0]=4 1944 B17R1.347 CCCC1CCCCC1NCCNC(=O)CC 269862a_100132302217_100011218038 [1,0,0,1,0,0|2,0,0]=4 1945 B17R1.347 CCCC1CCCCC1NCCNC(=O)CC 270004a_100132302217_100011218038 [1,0,0,1,0,0|2,0,0]=4 1946 B17R1.347 CCCC1CCCCC1OCCOC(=O)NC 34a_100011217265_200011997002 [1,0,0,1,0,0|2,0,0]=4 1947 B17R1.347 CCCC1CCCCC1OCCOC(=O)NC 7a_100011217265_200011997002 [1,0,0,1,0,0|2,0,0]=4 1948 B17R1.1158 CCC(=O)NCCNCCCC1CCCCC1 34a_100132302217_100011713725 [1,0,0,1,0,0|2,0,0]=4 1949 B17R1.1158 CCC(=O)NCCOCCCC1CCCCC1 34a_200000158885_100011713725 [1,0,0,1,0,0|2,0,0]=4 1950 B17R1.1158 CCC(=O)NCCOCCCC1CCCCC1 7a_200000158885_100011713725 [1,0,0,1,0,0|2,0,0]=4 1951 B17R1.1158 CCC(=O)OCCOCCCC1CCCCC1 7a_200000031056_100011713725 [1,0,0,1,0,0|1,0,0]=3 1952 B17R1.1158 CCC(=O)OCCOCCCN1CCCCC1 7a_200000031056_100000007876 [1,0,0,1,0,0|2,0,0]=4 1953 B17R1.1158 CCC(=O)OCCOCCOC1CCCCC1 7a_200000031056_100011211530 [1,0,0,1,0,0|2,0,0]=4 1954 B17R1.1158 CNC(=O)OCCNCCCC1CCCCC1 34a_100011211642_200011997002 [1,0,0,1,0,0|2,0,0]=4 1955 B17R1.1158 CNC(=O)OCCOCCCC1CCCCC1 34a_100000198086_200011997002 [1,0,0,1,0,0|2,0,0]=4 1956 B17R1.1158 CNC(=O)OCCOCCCC1CCCCC1 7a_100000198086_200011997002 [1,0,0,1,0,0|2,0,0]=4 1957 B17R1.1158 CNC(=O)OCCSCCCC1CCCCC1 62a_100011713725_200011997002 [1,0,0,1,0,0|2,0,0]=4 1958 B17R1.1158 CNC(=O)OCCSCCCC1CCCCC1 62a_200011997002_100011713725 [1,0,0,1,0,0|2,0,0]=4 1959 B17R1.1158 COC(=O)OCCOCCCC1CCCCC1 34a_100010262106_100011713725 [1,0,0,1,0,0|2,0,0]=4 1960 B17R1.1241 CCCCCCCCCCNC1COC(=O)O1 34a_100000684558_100000032252 [1,0,0,1,0,0|2,0,0]=4 1961 B17R1.1241 CCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210320 [1,0,0,1,0,0|2,0,0]=4 1962 B17R1.1241 CCCCCCCCCCOC1COC(=O)O1 34a_100000210711_100000032252 [1,0,0,1,0,0|2,0,0]=4 1963 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 2230a_100000212291_100000181169 [1,0,0,1,0,0|2,0,0]=4 1964 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 34a_100000212291_100000181169 [1,0,0,1,0,0|2,0,0]=4 1965 B17R1.1241 CCCCCCCCCNCC1COC(=O)O1 34a_100000212291_100000073702 [1,0,0,1,0,0|2,0,0]=4 1966 B17R1.1241 CCCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000212291_100015189358 [1,0,0,1,0,0|2,0,0]=4 1967 B17R1.1241 CCCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011214924 [1,0,0,1,0,0|2,0,0]=4 1968 B17R1.1241 CCCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011214924 [1,0,0,1,0,0|2,0,0]=4 1969 B17R1.1241 CCCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100011214924 [1,0,0,1,0,0|2,0,0]=4 1970 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100000210712_100000181169 [1,0,0,1,0,0|2,0,0]=4 1971 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100011214924 [1,0,0,1,0,0|2,0,0]=4 1972 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 7a_100000210712_100000181169 [1,0,0,1,0,0|2,0,0]=4 1973 B17R1.1241 CCCCCCCCCOCC1COC(=O)O1 34a_100000210712_100000073702 [1,0,0,1,0,0|2,0,0]=4 1974 B17R1.1241 CCCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210712_100015189358 [1,0,0,1,0,0|2,0,0]=4 1975 B17R1.1241 CCCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210670 [1,0,0,1,0,0|2,0,0]=4 1976 B17R1.1241 CCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210670 [1,0,0,1,0,0|2,0,0]=4 1977 B17R1.1241 CCCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210670 [1,0,0,1,0,0|2,0,0]=4 1978 B17R1.1338 CCC(=O)OCCOCCC1CCCCN1C 7a_200000031056_100000211948 [1,0,0,1,0,0|2,0,0]=4 1979 B17R1.5249 CCCCCCCCCCCNC1CCC1=O 34a_200011215754_100009892977 [1,0,0,1,0,0|2,0,0]=4 1980 B17R1.5249 CCCCCCCCCCCOC1CCC1=O 34a_100000210809_100009892977 [1,0,0,1,0,0|2,0,0]=4 1981 B17R1.5249 CCCCCCCCCCCOC1CCC1=O 7a_100000210809_100009892977 [1,0,0,1,0,0|2,0,0]=4 1982 B17R1.5249 CCCCCCCCCCCSC1CCC1=O 62a_100009892977_100011215454 [1,0,0,1,0,0|2,0,0]=4 1983 B17R1.5249 CCCCCCCCCNCCC1CCC1=O 2230a_100000212291_200016118888 [1,0,0,1,0,0|2,0,0]=4 1984 B17R1.5249 CCCCCCCCCOCCC1CCC1=O 7a_100000210712_200016118888 [1,0,0,1,0,0|2,0,0]=4 1985 B17R1.5249 CCCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210670 [1,0,0,1,0,0|2,0,0]=4 1986 B17R1.5256 CCCCC1CCCC1NCCNC(=O)CC 269862a_100132302217_100000750825 [1,0,0,1,0,0|2,0,0]=4 1987 B17R1.5256 CCCCC1CCCC1NCCNC(=O)CC 270004a_100132302217_100000750825 [1,0,0,1,0,0|2,0,0]=4 1988 B17R1.7892 CCCCCCCCCCCCOC1COC1 34a_100000210810_100009818527 [1,0,0,1,0,0|1,0,1]=4 1989 B17R1.7892 CCCCCCCCCCCCOC1COC1 7a_100000210810_100009818527 [1,0,0,1,0,0|1,0,1]=4 1990 B17R1.24253 CNC(=O)OCCOCC1CCCCCCC1 34a_100011216312_200011997002 [1,0,0,1,0,0|2,0,0]=4 1991 B17R1.24253 CNC(=O)OCCOCC1CCCCCCC1 7a_100011216312_200011997002 [1,0,0,1,0,0|2,0,0]=4 1992 B17R1.25295 CCCCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100011214924 [1,0,0,1,0,0|2,0,0]=4 1993 B17R1.25295 CCCCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210670 [1,0,0,1,0,0|2,0,0]=4 1994 B17R1.26472 CCC(=O)NCCNC1CCCCCCCC1 270004a_100132302217_100000038600 [1,0,0,1,0,0|2,0,0]=4 1995 B17R1.26506 CCC(=O)OCCOCCN1CCCCCC1 7a_200000031056_100000722644 [1,0,0,1,0,0|2,0,0]=4 1996 B17R1.26506 CNC(=O)OCCNCCC1CCCCCC1 34a_100011532351_200011997002 [1,0,0,1,0,0|2,0,0]=4 1997 B17R1.180031 CC(CO)OC1CCCCCCCCCCC1 34a_100000211378_100012180447 [1,0,0,1,0,0|1,0,1]=4 1998 B17R1.180031 CC(CO)OC1CCCCCCCCCCC1 7a_100000211378_100012180447 [1,0,0,1,0,0|1,0,1]=4 1999 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000210414 [1,0,0,1,0,0|1,0,0]=3 2000 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000210414 [1,0,0,1,0,0|1,0,0]=3 2001 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000210414 [1,0,0,1,0,0|1,0,0]=3 2002 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000210414 [1,0,0,1,0,0|1,0,0]=3 2003 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 2708a_100011194316_106832991635 [1,0,0,1,0,0|2,0,0]=4 2004 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 2708a_100102657272_100011194316 [1,0,0,1,0,0|2,0,0]=4 2005 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 273464a_100011194316_100102657272 [1,0,0,1,0,0|2,0,0]=4 2006 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 273464a_100102657272_100011194316 [1,0,0,1,0,0|2,0,0]=4 2007 B17R1.180031 O=C(CO)NC1CCCCCCCCCCC1 240690a_100011194316_100000210174 [1,0,0,1,0,0|1,0,0]=3 2008 B17R1.180031 O=C(CO)NC1CCCCCCCCCCC1 527a_100011194316_100000210174 [1,0,0,1,0,0|1,0,0]=3 2009 B17R1.1422 CCC1CCCCN1CCCNC(=O)[C@@H](C)O 240690a_100011191702_100000717761 [1,0,0,1,0,0|2,0,0]=4 2010 B17R1.1422 CCC1CCCCN1CCCNC(=O)[C@H](C)O 1626a_100011191702_217856618621 [1,0,0,1,0,0|2,0,0]=4 2011 B17R1.1422 CCC1CCCCN1CCCNC(=O)[C@H](C)O 240690a_100011191702_217856618621 [1,0,0,1,0,0|2,0,0]=4 2012 B17R1.4488 CC(C)C(=O)COCCCCC1CCCCC1 34a_100011215267_100000753385 [1,0,0,1,0,0|2,0,0]=4 2013 B17R1.4488 CC(C)C(=O)COCCCCC1CCCCC1 7a_100011215267_100000753385 [1,0,0,1,0,0|2,0,0]=4 2014 B17R1.4488 CC(C)C(=O)OCSCCCC1CCCCC1 62a_100000139345_100011713725 [1,0,0,1,0,0|2,0,0]=4 2015 B17R1.4488 CC(C)C(=O)OCSCCCC1CCCCC1 62a_100011713725_100000139345 [1,0,0,1,0,0|2,0,0]=4 2016 B17R1.4488 C[C@@H](O)C(=O)NCCCCCN1CCCCC1 240690a_100000754421_100000717761 [1,0,0,1,0,0|2,0,0]=4 2017 B17R1.4488 C[C@H](O)C(=O)NCCCCCN1CCCCC1 240690a_100000754421_217856618621 [1,0,0,1,0,0|2,0,0]=4 2018 B17R1.11019 C=CCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100011093070 [1,0,0,1,0,0|0,0,2]=4 2019 B17R1.11019 CCCCC#CCCCCCCC(=O)C1CO1 1458a_100000701028_200000043322 [1,0,0,1,0,0|0,0,2]=4 2020 B17R1.11019 CCCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000759014 [1,0,0,1,0,0|0,0,0]=2 2021 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 11a_200011215754_100000210395 [1,0,0,1,0,0|2,0,0]=4 2022 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 1626a_200011215754_100000210395 [1,0,0,1,0,0|2,0,0]=4 2023 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 240690a_200011215754_100000210395 [1,0,0,1,0,0|2,0,0]=4 2024 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 527a_200011215754_100000210395 [1,0,0,1,0,0|2,0,0]=4 2025 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 11a_200011215754_100000701028 [1,0,0,1,0,0|1,0,0]=3 2026 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 1626a_200011215754_100000701028 [1,0,0,1,0,0|1,0,0]=3 2027 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 240690a_200011215754_100000701028 [1,0,0,1,0,0|1,0,0]=3 2028 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 527a_200011215754_100000701028 [1,0,0,1,0,0|1,0,0]=3 2029 B17R1.11019 CCCCCCCCCCNCC(=O)C1CC1 2230a_100000684558_100000746382 [1,0,0,1,0,0|2,0,0]=4 2030 B17R1.11019 CCCCCCCCCCNCC(=O)C1CC1 34a_100000684558_100000746382 [1,0,0,1,0,0|2,0,0]=4 2031 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 34a_100000210711_100000746382 [1,0,0,1,0,0|2,0,0]=4 2032 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210320 [1,0,0,1,0,0|2,0,0]=4 2033 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 7a_100000210711_100000746382 [1,0,0,1,0,0|2,0,0]=4 2034 B17R1.11019 CCCCCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210320 [1,0,0,1,0,0|2,0,0]=4 2035 B17R1.11019 CCCCCCCCCNCOC(=O)C1CC1 2230a_100000212291_100000140896 [1,0,0,1,0,0|2,0,0]=4 2036 B17R1.11019 CCCCCCCCCNCOC(=O)C1CC1 34a_100000212291_100000140896 [1,0,0,1,0,0|2,0,0]=4 2037 B17R1.11019 CCCCCCCCCOCOC(=O)C1CC1 34a_100000210712_100000140896 [1,0,0,1,0,0|2,0,0]=4 2038 B17R1.11019 CCCCCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210670 [1,0,0,1,0,0|2,0,0]=4 2039 B17R1.11019 O=C(CCCCCCCCCCCO)C1CC1 1458a_100000210395_100009812471 [1,0,0,1,0,0|2,0,0]=4 2040 B17R1.11019 O=C(CCCCCCCCCCCO)C1CO1 1458a_100000701028_100009812471 [1,0,0,1,0,0|1,0,0]=3 2041 B17R1.11019 O=C(NCCCCCCCCCCO)C1CO1 240690a_100000066964_100000701028 [1,0,0,1,0,0|2,0,0]=4 2042 B17R1.36434 C[C@@H](O)C(=O)NCCCCN1CCCCCC1 240690a_100011207362_100000717761 [1,0,0,1,0,0|2,0,0]=4 2043 B17R1.36434 C[C@H](O)C(=O)NCCCCN1CCCCCC1 1626a_100011207362_217856618621 [1,0,0,1,0,0|2,0,0]=4 2044 B17R1.36434 C[C@H](O)C(=O)NCCCCN1CCCCCC1 240690a_100011207362_217856618621 [1,0,0,1,0,0|2,0,0]=4 2045 B17R1.104699 CC(C)C(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000753385 [1,0,0,1,0,0|2,0,0]=4 2046 B17R1.104699 CC(C)C(=O)CNCCC1CCCCCCC1 34a_100011532352_100000753385 [1,0,0,1,0,0|2,0,0]=4 2047 B17R1.4140 CCCCCCCCCCCCN1CC(C1)O 269982a_100000749847_100000759014 [1,0,0,1,0,0|1,0,1]=4 2048 B17R1.4165 CCCCCCCC1CCCC1NCC(C)O 269862a_100000210904_200011216720 [1,0,0,1,0,0|1,0,1]=4 2049 B17R1.4165 CCCCCCCC1CCCC1NCC(C)O 270004a_100000210904_200011216720 [1,0,0,1,0,0|1,0,1]=4 2050 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 2230a_100011194316_100011218427 [1,0,0,1,0,0|1,0,1]=4 2051 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 270004a_100000210904_100000210130 [1,0,0,1,0,0|1,0,1]=4 2052 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 34a_100011194316_100011218427 [1,0,0,1,0,0|1,0,1]=4 2053 B17R1.16233 CC(O)COC1CCCCCCCCCCC1 34a_100000211378_100011218427 [1,0,0,1,0,0|0,0,1]=3 2054 B17R1.16233 CC(O)COC1CCCCCCCCCCC1 7a_100000211378_100011218427 [1,0,0,1,0,0|0,0,1]=3 2055 B17R1.16233 C[C@@H](O)CNC1CCCCCCCCCCC1 2230a_100011194316_100009817552 [1,0,0,1,0,0|1,0,1]=4 2056 B17R1.16233 C[C@@H](O)CNC1CCCCCCCCCCC1 34a_100011194316_100009817552 [1,0,0,1,0,0|1,0,1]=4 2057 B17R1.16233 C[C@@H](O)COC1CCCCCCCCCCC1 34a_100000211378_100009817552 [1,0,0,1,0,0|0,0,1]=3 2058 B17R1.16233 C[C@@H](O)COC1CCCCCCCCCCC1 7a_100000211378_100009817552 [1,0,0,1,0,0|0,0,1]=3 2059 B17R1.25267 CCCCCCCCCN1CCOC[C@@H](C1)O 2230a_100016073750_100011214924 [1,0,0,1,0,0|1,0,1]=4 2060 B17R1.25267 CCCCCCCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000210670 [1,0,0,1,0,0|1,0,1]=4 2061 B17R1.29093 BrCCCCCCCCCCCOCC1CO1 34a_100009812471_102125554688 [1,0,0,1,0,0|1,0,1]=4 2062 B17R1.29093 BrCCCCCCCCCCCOCC1CO1 7a_100009812471_102125554688 [1,0,0,1,0,0|1,0,1]=4 2063 B17R1.29093 BrCCCCCCCCCCCOC[C@@H]1CO1 7a_100009812471_100000745022 [1,0,0,1,0,0|1,0,1]=4 2064 B17R1.29093 CCCCCCCCCCCCNCC1CO1 2230a_100000210451_100011216344 [1,0,0,1,0,0|1,0,1]=4 2065 B17R1.29093 CCCCCCCCCCCCNCC1CO1 34a_100000210451_102125554688 [1,0,0,1,0,0|1,0,1]=4 2066 B17R1.29093 CCCCCCCCCCCCOCC1CO1 34a_100000210810_102125554688 [1,0,0,1,0,0|0,0,1]=3 2067 B17R1.29093 CCCCCCCCCCCCOCC1CO1 7a_100000210810_102125554688 [1,0,0,1,0,0|0,0,1]=3 2068 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000759014 [1,0,0,1,0,0|0,0,1]=3 2069 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 7a_100000210810_100000745022 [1,0,0,1,0,0|0,0,1]=3 2070 B17R1.29093 CCCCCCCOCCCCOCC1CO1 34a_100010889290_100000210614 [1,0,0,1,0,0|1,0,1]=4 2071 B17R1.29093 CCCCCCCOCCCCOCC1CO1 7a_100010889290_100000210614 [1,0,0,1,0,0|1,0,1]=4 2072 B17R1.29093 CCOCCCCCCCCCOCC1CO1 34a_100009875440_102125554688 [1,0,0,1,0,0|1,0,1]=4 2073 B17R1.29093 CCOCCCCCCCCCOCC1CO1 7a_100009875440_102125554688 [1,0,0,1,0,0|1,0,1]=4 2074 B17R1.29093 CCOCCCCCCCCCOC[C@@H]1CO1 7a_100009875440_100000745022 [1,0,0,1,0,0|1,0,1]=4 2075 B17R1.29093 OCCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100009812471 [1,0,0,1,0,0|1,0,1]=4 2076 B19R1.68512 CCCCCCCCCCCCCC(=O)NC1CC1 1626a_100000212008_100000756256 [0,0,0,1,0,1|2,0,0]=4 2077 B19R1.68512 CCCCCCCCCCCCCC(=O)NC1CC1 240690a_100000212008_100000756256 [0,0,0,1,0,1|2,0,0]=4 2078 B19R1.68512 CCCCCCCCCCCCNC(=O)CC1CC1 11a_100000210451_100000738066 [0,0,0,1,0,1|2,0,0]=4 2079 B19R1.68512 CCCCCCCCCCCCNC(=O)CC1CC1 1626a_100000210451_100000738066 [0,0,0,1,0,1|2,0,0]=4 2080 B19R1.68512 CCCCCCCCCCCCNC(=O)CC1CC1 240690a_100000210451_100000738066 [0,0,0,1,0,1|2,0,0]=4 2081 B19R1.68512 CCCCCCCCCCCCNC(=O)CC1CC1 527a_100000210451_100000738066 [0,0,0,1,0,1|2,0,0]=4 2082 B19R1.68512 CCCCCCCCCCCCNC(=O)NC1CC1 2708a_100000210451_100000212008 [0,0,0,1,0,1|2,0,0]=4 2083 B19R1.68512 CCCCCCCCCCCCNC(=O)NC1CC1 2708a_100000212008_100000210451 [0,0,0,1,0,1|2,0,0]=4 2084 B19R1.68512 CCCCCCCCCCCCNC(=O)NC1CC1 273464a_100000210451_100000212008 [0,0,0,1,0,1|2,0,0]=4 2085 B19R1.68512 CCCCCCCCCCCCNC(=O)NC1CC1 273464a_100000212008_100000210451 [0,0,0,1,0,1|2,0,0]=4 2086 B19R1.68512 CCCCCCCCCCCCNC(=O)NC1CC1 512a_100000212008_100000210451 [0,0,0,1,0,1|2,0,0]=4 2087 B19R1.281406 CC(C)CC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000210554 [0,0,0,1,0,1|2,0,0]=4 2088 B19R1.281406 CC(C)CC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000210554 [0,0,0,1,0,1|2,0,0]=4 2089 B19R1.281406 CC(C)CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000210554 [0,0,0,1,0,1|2,0,0]=4 2090 B19R1.281406 CC(C)CC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000210554 [0,0,0,1,0,1|2,0,0]=4 2091 B19R1.281406 CC(C)NC(=O)NC1CCCCCCCCCCC1 2708a_100011194316_100138425928 [0,0,0,1,0,1|2,0,0]=4 2092 B19R1.281406 CC(C)NC(=O)NC1CCCCCCCCCCC1 2708a_100138425928_100011194316 [0,0,0,1,0,1|2,0,0]=4 2093 B19R1.281406 CC(C)NC(=O)NC1CCCCCCCCCCC1 273464a_100138425928_100011194316 [0,0,0,1,0,1|2,0,0]=4 2094 B19R1.281406 C[C@@H](O)CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100011933948 [0,0,0,1,0,1|1,0,0]=3 2095 B19R1.878881 CCCCCCCCCCCCNC(=O)C1CC1C 11a_100000210451_100000211227 [0,0,0,1,0,1|2,0,0]=4 2096 B19R1.878881 CCCCCCCCCCCCNC(=O)C1CC1C 1626a_100000210451_100000211227 [0,0,0,1,0,1|2,0,0]=4 2097 B19R1.878881 CCCCCCCCCCCCNC(=O)C1CC1C 527a_100000210451_100000211227 [0,0,0,1,0,1|2,0,0]=4 2098 B19R1.878881 CCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000210451_100015396687 [0,0,0,1,0,1|2,0,0]=4 2099 B19R1.878881 CCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000210451_100015396687 [0,0,0,1,0,1|2,0,0]=4 2100 B19R1.878881 CCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000210451_100015396687 [0,0,0,1,0,1|2,0,0]=4 2101 B19R1.73815 C=C(C)C(=O)OCCNCCC1CCCCCCC1 2230a_100011532352_100009816335 [0,1,0,1,0,0|1,0,1]=4 2102 B19R1.73815 C=C(C)C(=O)OCCNCCC1CCCCCCC1 34a_100011532352_100009816335 [0,1,0,1,0,0|1,0,1]=4 2103 B19R1.4093 C=C(C)C(=O)OCCCCCCNC1CCCCC1 2230a_100000182618_200010402237 [0,1,0,1,0,0|1,0,1]=4 2104 B19R1.4093 C=C(C)C(=O)OCCCCCCNC1CCCCC1 34a_100000182618_200010402237 [0,1,0,1,0,0|1,0,1]=4 2105 B19R1.4093 C=C(C)C(=O)OCCCCCCOC1CCCCC1 34a_100000210231_200010402237 [0,1,0,1,0,0|1,0,1]=4 2106 B19R1.4093 C=C(C)C(=O)OCCCCCCOC1CCCCC1 7a_100000210231_200010402237 [0,1,0,1,0,0|1,0,1]=4 2107 B19R1.4093 C=C(C)C(=O)OCCCCCCSC1CCCCC1 62a_100000210327_200010402237 [0,1,0,1,0,0|1,0,1]=4 2108 B19R1.4093 C=C(C)C(=O)OCCCCCCSC1CCCCC1 62a_200010402237_100000210327 [0,1,0,1,0,0|1,0,1]=4 2109 B19R1.4093 C=C(C)C(=O)OCCCCOCCC1CCCCC1 7a_100000065474_100011273959 [0,1,0,1,0,0|1,0,1]=4 2110 B19R1.4093 C=C(C)C(=O)OCCCOCCCC1CCCCC1 7a_100000032641_100011713725 [0,1,0,1,0,0|1,0,1]=4 2111 B19R1.4093 C=C(C)C(=O)OCCOCCCCC1CCCCC1 34a_100011215267_100009816335 [0,1,0,1,0,0|1,0,1]=4 2112 B19R1.4093 C=C(C)C(=O)OCCOCCCCC1CCCCC1 7a_100011215267_100009816335 [0,1,0,1,0,0|1,0,1]=4 2113 B19R1.4257 CCCCCC1CCCC1NCCNC(=O)C(C)C 269862a_100000752568_200000198059 [0,1,0,1,0,0|2,0,0]=4 2114 B19R1.4257 CCCCCC1CCCC1NCCNC(=O)C(C)C 270004a_100000752568_200000198059 [0,1,0,1,0,0|2,0,0]=4 2115 B19R1.8022 C=C(C)C(=O)OCCCCCCN1CCCC1CC 2230a_100000754278_200010402237 [0,1,0,1,0,0|1,0,1]=4 2116 B19R1.8022 C=C(C)C(=O)OCCCCCCN1CCCC1CC 269982a_100000754278_200010402237 [0,1,0,1,0,0|1,0,1]=4 2117 B19R1.8022 C=C(C)C(=O)OCCCCCCN1CCCC1CC 34a_100000754278_200010402237 [0,1,0,1,0,0|1,0,1]=4 2118 B19R1.10574 C=C(C)C(=O)OCCCCCCN1CCCCC1C 2230a_100000211376_200010402237 [0,1,0,1,0,0|1,0,1]=4 2119 B19R1.10574 C=C(C)C(=O)OCCCCCCN1CCCCC1C 269982a_100000211376_200010402237 [0,1,0,1,0,0|1,0,1]=4 2120 B19R1.10574 C=C(C)C(=O)OCCCCCCN1CCCCC1C 34a_100000211376_200010402237 [0,1,0,1,0,0|1,0,1]=4 2121 B19R1.10917 C=C(C)C(=O)OCCCCCCOC1CCCC1C 34a_100011216460_200010402237 [0,1,0,1,0,0|1,0,1]=4 2122 B19R1.10917 C=C(C)C(=O)OCCCCCCOC1CCCC1C 7a_100011216460_200010402237 [0,1,0,1,0,0|1,0,1]=4 2123 B19R1.15489 CCCCCCCCCCCc1noc(n1)[C@@H](C)O 270196a_100000749962_100000717761 [0,1,0,1,0,0|1,0,1]=4 2124 B19R1.15489 CCCCCCCCCCCc1noc(n1)[C@H](C)O 270196a_100000749962_217856618621 [0,1,0,1,0,0|1,0,1]=4 2125 B19R1.26567 C=C(C)C(=O)OCCCCCCNCC1CCCC1 2230a_100000737975_200010402237 [0,1,0,1,0,0|1,0,1]=4 2126 B19R1.26567 C=C(C)C(=O)OCCCCCCNCC1CCCC1 34a_100000737975_200010402237 [0,1,0,1,0,0|1,0,1]=4 2127 B19R1.26567 C=C(C)C(=O)OCCCCCCOCC1CCCC1 34a_100000742336_200010402237 [0,1,0,1,0,0|1,0,1]=4 2128 B19R1.26567 C=C(C)C(=O)OCCCCCCOCC1CCCC1 7a_100000742336_200010402237 [0,1,0,1,0,0|1,0,1]=4 2129 B19R1.26567 C=C(C)C(=O)OCCCCCCSCC1CCCC1 62a_100000740388_200010402237 [0,1,0,1,0,0|1,0,1]=4 2130 B19R1.26567 C=C(C)C(=O)OCCCCCCSCC1CCCC1 62a_200010402237_100000740388 [0,1,0,1,0,0|1,0,1]=4 2131 B19R1.26567 C=C(C)C(=O)OCCCCOCCCC1CCCC1 7a_100000065474_100011713738 [0,1,0,1,0,0|1,0,1]=4 2132 B19R1.26567 C[C@@H](O)C(=O)CCCCCCCCCC1OCCO1 1458a_100000717761_103619048131 [0,1,0,1,0,0|2,0,0]=4 2133 B19R1.26567 C[C@H](O)C(=O)CCCCCCCCCC1OCCO1 1458a_217856618621_103619048131 [0,1,0,1,0,0|2,0,0]=4 2134 B19R1.53163 CCCCCCCCCCCNC1C=C(C(=O)O1)C 2230a_200011215754_200009893386 [0,1,0,1,0,0|1,0,1]=4 2135 B19R1.68314 CCCCCCCCCCN1CCNC(=O)C1(C)C 2230a_100000751695_100000210320 [0,1,0,1,0,0|2,0,0]=4 2136 B19R1.68314 CCCCCCCCCCN1CCNC(=O)C1(C)C 269982a_100000751695_100000210320 [0,1,0,1,0,0|2,0,0]=4 2137 B19R1.68314 CCCCCCCCCCN1CCNC(=O)C1(C)C 34a_100000751695_100000210320 [0,1,0,1,0,0|2,0,0]=4 2138 B19R1.73955 CC(=O)C(=O)COC1CCCCCCCCCCC1 34a_100000211378_100011261029 [0,1,0,1,0,0|0,0,2]=4 2139 B19R1.73955 CC(C)C(=O)CNC1CCCCCCCCCCC1 2230a_100011194316_100000753385 [0,1,0,1,0,0|2,0,0]=4 2140 B19R1.73955 CC(C)C(=O)CNC1CCCCCCCCCCC1 34a_100011194316_100000753385 [0,1,0,1,0,0|2,0,0]=4 2141 B19R1.73955 CC(C)C(=O)COC1CCCCCCCCCCC1 34a_100000211378_100000753385 [0,1,0,1,0,0|1,0,0]=3 2142 B19R1.73955 CC(C)C(=O)COC1CCCCCCCCCCC1 7a_100000211378_100000753385 [0,1,0,1,0,0|1,0,0]=3 2143 B19R1.73955 CN(C)C(=O)COC1CCCCCCCCCCC1 34a_100000211378_100000692301 [0,1,0,1,0,0|2,0,0]=4 2144 B19R1.73955 CN(C)C(=O)COC1CCCCCCCCCCC1 7a_100000211378_100000692301 [0,1,0,1,0,0|2,0,0]=4 2145 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CC1 11a_100011215765_100000210395 [0,1,0,1,0,0|2,0,0]=4 2146 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CC1 1626a_100011215765_100000210395 [0,1,0,1,0,0|2,0,0]=4 2147 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CC1 240690a_100011215765_100000210395 [0,1,0,1,0,0|2,0,0]=4 2148 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CC1 527a_100011215765_100000210395 [0,1,0,1,0,0|2,0,0]=4 2149 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CO1 11a_100011215765_100000701028 [0,1,0,1,0,0|1,0,0]=3 2150 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CO1 1626a_100011215765_100000701028 [0,1,0,1,0,0|1,0,0]=3 2151 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CO1 240690a_100011215765_100000701028 [0,1,0,1,0,0|1,0,0]=3 2152 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CO1 527a_100011215765_100000701028 [0,1,0,1,0,0|1,0,0]=3 2153 B19R1.142161 CCCCCCCCCCCCNCC(=O)C1CC1 2230a_100000210451_100000746382 [0,1,0,1,0,0|2,0,0]=4 2154 B19R1.142161 CCCCCCCCCCCCNCC(=O)C1CC1 34a_100000210451_100000746382 [0,1,0,1,0,0|2,0,0]=4 2155 B19R1.142161 CCCCCCCCCCCCOCC(=O)C1CC1 34a_100000210810_100000746382 [0,1,0,1,0,0|1,0,0]=3 2156 B19R1.142161 CCCCCCCCCCCCOCC(=O)C1CC1 34a_100000686663_100000759014 [0,1,0,1,0,0|1,0,0]=3 2157 B19R1.142161 CCCCCCCCCCCCOCC(=O)C1CC1 7a_100000210810_100000746382 [0,1,0,1,0,0|1,0,0]=3 2158 B19R1.142161 CCCCCCCCCCCNCOC(=O)C1CC1 2230a_200011215754_100000140896 [0,1,0,1,0,0|1,0,0]=3 2159 B19R1.142161 CCCCCCCCCCCNCOC(=O)C1CC1 34a_200011215754_100000140896 [0,1,0,1,0,0|1,0,0]=3 2160 B19R1.142161 CCCCCCCCCCCOCOC(=O)C1CC1 34a_100000210809_100000140896 [0,1,0,1,0,0|1,0,0]=3 2161 B19R1.142161 CCOCCCCCCCCCOCC(=O)C1CC1 34a_100009875440_100000746382 [0,1,0,1,0,0|2,0,0]=4 2162 B19R1.142161 CCOCCCCCCCCCOCC(=O)C1CC1 7a_100009875440_100000746382 [0,1,0,1,0,0|2,0,0]=4 2163 B19R1.142161 NCCCCCCCCCCOCOC(=O)C1CC1 34a_100000066964_100000140896 [0,1,0,1,0,0|2,0,0]=4 2164 B19R1.142161 O=C(CCCCCCCCCCCCCO)C1CC1 1458a_100000210395_100009812470 [0,1,0,1,0,0|2,0,0]=4 2165 B19R1.142161 O=C(CCCCCCCCCCCCCO)C1CO1 1458a_100000701028_100009812470 [0,1,0,1,0,0|1,0,0]=3 2166 B19R1.142161 O=C(COCCCCCCCCCCCBr)C1CC1 34a_100009812471_100000746382 [0,1,0,1,0,0|2,0,0]=4 2167 B19R1.142161 O=C(COCCCCCCCCCCCBr)C1CC1 7a_100009812471_100000746382 [0,1,0,1,0,0|2,0,0]=4 2168 B19R1.142161 O=C(COCCCCCCCCCCCO)C1CC1 34a_100000686663_100009812471 [0,1,0,1,0,0|2,0,0]=4 2169 B19R1.142161 O=C(NCCCCCCCCCCCCO)C1CC1 240690a_100000066677_100000210395 [0,1,0,1,0,0|2,0,0]=4 2170 B19R1.142161 O=C(NCCCCCCCCCCCCO)C1CO1 240690a_100000066677_100000701028 [0,1,0,1,0,0|1,0,0]=3 2171 B19R1.142161 O=C(OCNCCCCCCCCCCO)C1CC1 2230a_100000066964_100000140896 [0,1,0,1,0,0|2,0,0]=4 2172 B19R1.142161 O=C(OCNCCCCCCCCCCO)C1CC1 34a_100000066964_100000140896 [0,1,0,1,0,0|2,0,0]=4 2173 B19R1.142161 O=C(OCOCCCCCCCCCCBr)C1CC1 34a_100009813290_100000140896 [0,1,0,1,0,0|2,0,0]=4 2174 B19R1.142161 O=C(OCOCCCCCCCCCCCl)C1CC1 34a_200000033068_100000140896 [0,1,0,1,0,0|2,0,0]=4 2175 B19R1.142161 O=C(OCSCCCCCCCCCCO)C1CC1 62a_100000140896_200000033068 [0,1,0,1,0,0|2,0,0]=4 2176 B19R1.142161 O=C(OCSCCCCCCCCCCO)C1CC1 62a_100009813290_100000140896 [0,1,0,1,0,0|2,0,0]=4 2177 B19R1.283105 C=C(C)C(=O)OCCCCCCN1CCCCCC1 2230a_100000185865_200010402237 [0,1,0,1,0,0|1,0,1]=4 2178 B19R1.283105 C=C(C)C(=O)OCCCCCCN1CCCCCC1 269982a_100000185865_200010402237 [0,1,0,1,0,0|1,0,1]=4 2179 B19R1.283105 C=C(C)C(=O)OCCCCCCN1CCCCCC1 34a_100000185865_200010402237 [0,1,0,1,0,0|1,0,1]=4 2180 B19R1.283105 C=C(C)C(=O)OCCCCOCC1CCCCCC1 7a_100000065474_200000696569 [0,1,0,1,0,0|1,0,1]=4 2181 B19R1.46518 CCCCCCCCCCCCOC1COCC1O 34a_100000210810_200000725654 [0,1,0,1,0,0|0,0,2]=4 2182 B19R1.46518 CCCCCCCCCCCCOC1COCC1O 7a_100000210810_200000725654 [0,1,0,1,0,0|0,0,2]=4 2183 B19R1.68510 CCCCCCCCCCCCCC(=O)C1COC1 1458a_100000756256_100000687716 [0,1,0,1,0,0|1,0,0]=3 2184 B19R1.68510 CCCCCCCCCCCCCC(=O)C1COC1 1458a_100000758290_100000210684 [0,1,0,1,0,0|1,0,0]=3 2185 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCC1 11a_100000210451_100000209988 [0,1,0,1,0,0|2,0,0]=4 2186 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCC1 1626a_100000210451_100000209988 [0,1,0,1,0,0|2,0,0]=4 2187 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCC1 240690a_100000210451_100000209988 [0,1,0,1,0,0|2,0,0]=4 2188 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCC1 527a_100000210451_100000209988 [0,1,0,1,0,0|2,0,0]=4 2189 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCO1 11a_100000210451_100000089072 [0,1,0,1,0,0|1,0,0]=3 2190 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCO1 1626a_100000210451_100000089072 [0,1,0,1,0,0|1,0,0]=3 2191 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCO1 240690a_100000210451_100000089072 [0,1,0,1,0,0|1,0,0]=3 2192 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCO1 527a_100000210451_100000089072 [0,1,0,1,0,0|1,0,0]=3 2193 B19R1.68510 CCCCCCCCCCCCNC(=O)C1COC1 11a_100000210451_100000758290 [0,1,0,1,0,0|1,0,0]=3 2194 B19R1.68510 CCCCCCCCCCCCNC(=O)C1COC1 1626a_100000210451_100000758290 [0,1,0,1,0,0|1,0,0]=3 2195 B19R1.68510 CCCCCCCCCCCCNC(=O)C1COC1 240690a_100000210451_100000758290 [0,1,0,1,0,0|1,0,0]=3 2196 B19R1.68510 CCCCCCCCCCCCNC(=O)C1COC1 527a_100000210451_100000758290 [0,1,0,1,0,0|1,0,0]=3 2197 B19R1.68510 O=C(CCCCCCCCCCCCO)C1CCO1 1458a_100000089072_100009813331 [0,1,0,1,0,0|2,0,0]=4 2198 B19R1.68510 O=C(CCCCCCCCCCCCO)C1COC1 1458a_100000758290_100009813331 [0,1,0,1,0,0|2,0,0]=4 2199 B19R1.68511 CCCCCCCCCCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210684 [0,1,0,1,0,0|1,0,0]=3 2200 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)C 11a_100000210451_100000756474 [0,1,0,1,0,0|2,0,0]=4 2201 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)C 1626a_100000210451_100000756474 [0,1,0,1,0,0|2,0,0]=4 2202 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)C 240690a_100000210451_100000756474 [0,1,0,1,0,0|2,0,0]=4 2203 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)C 527a_100000210451_100000756474 [0,1,0,1,0,0|2,0,0]=4 2204 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)F 11a_100000210451_100000055089 [0,1,0,1,0,0|2,0,0]=4 2205 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)F 1626a_100000210451_100000055089 [0,1,0,1,0,0|2,0,0]=4 2206 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)F 240690a_100000210451_100000055089 [0,1,0,1,0,0|2,0,0]=4 2207 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)F 527a_100000210451_100000055089 [0,1,0,1,0,0|2,0,0]=4 2208 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)O 240690a_100000210451_100000241761 [0,1,0,1,0,0|1,0,0]=3 2209 B19R1.68511 O=C(CCCCCCCCCCCCO)C1(CC1)O 1458a_100000241761_100009813331 [0,1,0,1,0,0|2,0,0]=4 2210 B19R1.147300 C=CC(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100011216780 [0,1,0,1,0,0|2,0,0]=4 2211 B19R1.147300 C=CC(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100011216780 [0,1,0,1,0,0|2,0,0]=4 2212 B19R1.147300 C=CC(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100011216780 [0,1,0,1,0,0|2,0,0]=4 2213 B19R1.147300 C=CC(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100011216780 [0,1,0,1,0,0|2,0,0]=4 2214 B19R1.147300 CC(C#N)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000753662 [0,1,0,1,0,0|2,0,0]=4 2215 B19R1.147300 CC(C#N)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000753662 [0,1,0,1,0,0|2,0,0]=4 2216 B19R1.147300 CC(C#N)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000753662 [0,1,0,1,0,0|2,0,0]=4 2217 B19R1.147300 CC(C#N)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000753662 [0,1,0,1,0,0|2,0,0]=4 2218 B19R1.147300 CCC(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100011192722 [0,1,0,1,0,0|2,0,0]=4 2219 B19R1.147300 CCC(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100011192722 [0,1,0,1,0,0|2,0,0]=4 2220 B19R1.147300 CCC(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100011192722 [0,1,0,1,0,0|2,0,0]=4 2221 B19R1.147300 CCC(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100011192722 [0,1,0,1,0,0|2,0,0]=4 2222 B19R1.147300 CCC(O)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100011196387 [0,1,0,1,0,0|1,0,0]=3 2223 B19R1.147300 COC(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000743197 [0,1,0,1,0,0|1,0,0]=3 2224 B19R1.147300 COC(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000743197 [0,1,0,1,0,0|1,0,0]=3 2225 B19R1.147300 COC(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000743197 [0,1,0,1,0,0|1,0,0]=3 2226 B19R1.147300 COC(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000743197 [0,1,0,1,0,0|1,0,0]=3 2227 B19R1.147300 CSC(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000149566 [0,1,0,1,0,0|1,1,0]=4 2228 B19R1.147300 CSC(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000149566 [0,1,0,1,0,0|1,1,0]=4 2229 B19R1.147300 CSC(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000149566 [0,1,0,1,0,0|1,1,0]=4 2230 B19R1.147300 CSC(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000149566 [0,1,0,1,0,0|1,1,0]=4 2231 B19R1.147300 O=C(NC1CCCCCCCCCCC1)C(O)CO 240690a_100011194316_100011215603 [0,1,0,1,0,0|1,0,0]=3 2232 B19R1.26631 CC(C)(Br)C(=O)OCCOCCCC1CCCCC1 34a_100009817195_100011713725 [0,1,0,1,0,0|2,0,0]=4 2233 B19R1.26631 CC(C)(Br)C(=O)OCCOCCCC1CCCCC1 7a_100009817195_100011713725 [0,1,0,1,0,0|2,0,0]=4 2234 B19R1.283752 CC(C)(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_106744555173 [0,1,0,1,0,0|2,0,0]=4 2235 B19R1.283752 CC(C)(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_106744555173 [0,1,0,1,0,0|2,0,0]=4 2236 B19R1.283752 CC(C)(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_106744555173 [0,1,0,1,0,0|2,0,0]=4 2237 B19R1.283752 CC(C)(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_106744555173 [0,1,0,1,0,0|2,0,0]=4 2238 B19R1.283752 CC(C)(F)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000765255 [0,1,0,1,0,0|2,0,0]=4 2239 B19R1.283752 CC(C)(F)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000765255 [0,1,0,1,0,0|2,0,0]=4 2240 B19R1.283752 CC(C)(F)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000765255 [0,1,0,1,0,0|2,0,0]=4 2241 B19R1.283752 CC(C)(F)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000765255 [0,1,0,1,0,0|2,0,0]=4 2242 B19R1.283752 CC(C)(O)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000242741 [0,1,0,1,0,0|1,0,0]=3 2243 B19R1.283752 CC(F)(F)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000042251 [0,1,0,1,0,0|2,0,0]=4 2244 B19R1.283752 CC(F)(F)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000042251 [0,1,0,1,0,0|2,0,0]=4 2245 B19R1.283752 CC(F)(F)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000042251 [0,1,0,1,0,0|2,0,0]=4 2246 B19R1.283752 CC(F)(F)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000042251 [0,1,0,1,0,0|2,0,0]=4 2247 B19R1.115649 CCCCCCCCC(C)COCOC(=O)C1CC1 34a_200012125181_100000140896 [0,1,0,1,0,0|2,0,0]=4 2248 B19R1.314220 CCCCCCCCCC(C)OCOC(=O)C1CC1 34a_100011218016_100000140896 [0,1,0,1,0,0|2,0,0]=4 2249 B19R1.88918 CCCCCCCCCCCCC(C)C(=O)C1CO1 1458a_100000701028_200011217028 [0,1,0,1,0,0|1,0,0]=3 2250 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CC1 11a_100000227908_100000210395 [0,1,0,1,0,0|2,0,0]=4 2251 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CC1 1626a_100000227908_100000210395 [0,1,0,1,0,0|2,0,0]=4 2252 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CC1 240690a_100000227908_100000210395 [0,1,0,1,0,0|2,0,0]=4 2253 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CC1 527a_100000227908_100000210395 [0,1,0,1,0,0|2,0,0]=4 2254 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CO1 11a_100000227908_100000701028 [0,1,0,1,0,0|1,0,0]=3 2255 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CO1 1626a_100000227908_100000701028 [0,1,0,1,0,0|1,0,0]=3 2256 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CO1 240690a_100000227908_100000701028 [0,1,0,1,0,0|1,0,0]=3 2257 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CO1 527a_100000227908_100000701028 [0,1,0,1,0,0|1,0,0]=3 2258 B19R1.26165 CC(C)C(=O)OCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000139345 [0,1,0,1,0,0|1,0,1]=4 2259 B19R1.88915 CCCCCCCCCCC(=O)COC(=O)C1CC1 1458a_100000210375_100000140896 [0,1,0,1,0,0|1,0,1]=4 2260 B19R1.88915 CCCCCCCCCCN(C)COC(=O)C1CC1 2230a_100000207566_100000140896 [0,1,0,1,0,0|2,0,0]=4 2261 B19R1.88915 CCCCCCCCCCN(C)COC(=O)C1CC1 269982a_100000207566_100000140896 [0,1,0,1,0,0|2,0,0]=4 2262 B19R2.4502 C[C@@H](O)C(=O)N1CCCCC1C2CCCCN2C 240690a_200000079480_100000717761 [0,0,0,2,0,0|2,0,0]=4 2263 B19R2.4502 C[C@H](O)C(=O)N1CCCCC1C2CCCCN2C 240690a_200000079480_217856618621 [0,0,0,2,0,0|2,0,0]=4 2264 B19R2.18033 C[C@@H](O)C(=O)N1CCCCC1CN2CCCCC2 240690a_100020603746_100000717761 [0,0,0,2,0,0|2,0,0]=4 2265 B19R2.18033 C[C@H](O)C(=O)N1CCCCC1CN2CCCCC2 240690a_100020603746_217856618621 [0,0,0,2,0,0|2,0,0]=4 2266 B19R2.18079 C[C@@H](O)C(=O)N1CCCCC1CCN2CCCC2 240690a_200015183419_100000717761 [0,0,0,2,0,0|2,0,0]=4 2267 B19R2.18079 C[C@H](O)C(=O)N1CCCCC1CCN2CCCC2 1626a_200015183419_217856618621 [0,0,0,2,0,0|2,0,0]=4 2268 B19R2.18079 C[C@H](O)C(=O)N1CCCCC1CCN2CCCC2 240690a_200015183419_217856618621 [0,0,0,2,0,0|2,0,0]=4 2269 B19R2.2633 CC(C)C(=O)NC1CCCCC1C2CCCCC2 11a_200011339469_100000210198 [0,0,0,2,0,0|2,0,0]=4 2270 B19R2.2633 CC(C)C(=O)NC1CCCCC1C2CCCCC2 1626a_200011339469_100000210198 [0,0,0,2,0,0|2,0,0]=4 2271 B19R2.2633 CC(C)C(=O)NC1CCCCC1C2CCCCC2 240690a_200011339469_100000210198 [0,0,0,2,0,0|2,0,0]=4 2272 B19R2.2633 CC(C)C(=O)NC1CCCCC1C2CCCCC2 527a_200011339469_100000210198 [0,0,0,2,0,0|2,0,0]=4 2273 B19R2.2633 CC(F)C(=O)NC1CCCCC1C2CCCCC2 11a_200011339469_100000062450 [0,0,0,2,0,0|2,0,0]=4 2274 B19R2.2633 CC(F)C(=O)NC1CCCCC1C2CCCCC2 1626a_200011339469_100000062450 [0,0,0,2,0,0|2,0,0]=4 2275 B19R2.2633 CC(F)C(=O)NC1CCCCC1C2CCCCC2 240690a_200011339469_100000062450 [0,0,0,2,0,0|2,0,0]=4 2276 B19R2.2633 CC(F)C(=O)NC1CCCCC1C2CCCCC2 527a_200011339469_100000062450 [0,0,0,2,0,0|2,0,0]=4 2277 B19R2.2633 C[C@@H](O)C(=O)NC1CCCCC1C2CCCCC2 240690a_200011339469_100000717761 [0,0,0,2,0,0|1,0,0]=3 2278 B19R2.2633 C[C@H](O)C(=O)NC1CCCCC1C2CCCCC2 1626a_200011339469_217856618621 [0,0,0,2,0,0|1,0,0]=3 2279 B19R2.2633 C[C@H](O)C(=O)NC1CCCCC1C2CCCCC2 240690a_200011339469_217856618621 [0,0,0,2,0,0|1,0,0]=3 2280 B19R2.2633 O=C(NC1CCCCC1C2CCCCC2)C(O)O 240690a_200011339469_100000233687 [0,0,0,2,0,0|2,0,0]=4 2281 B19R2.113939 O=C(OCOCCCCC1CCCCC1)C2CC2 34a_100011215267_100000140896 [0,0,0,2,0,0|2,0,0]=4 2282 B19R2.1033933 O=C(OCNCCC1CCCCCCC1)C2CC2 2230a_100011532352_100000140896 [0,0,0,2,0,0|2,0,0]=4 2283 B19R2.1033933 O=C(OCNCCC1CCCCCCC1)C2CC2 34a_100011532352_100000140896 [0,0,0,2,0,0|2,0,0]=4 2284 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CC2 11a_100011194316_100000210395 [0,0,0,2,0,0|2,0,0]=4 2285 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CC2 1626a_100011194316_100000210395 [0,0,0,2,0,0|2,0,0]=4 2286 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CC2 240690a_100011194316_100000210395 [0,0,0,2,0,0|2,0,0]=4 2287 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CC2 527a_100011194316_100000210395 [0,0,0,2,0,0|2,0,0]=4 2288 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CO2 11a_100011194316_100000701028 [0,0,0,2,0,0|1,0,0]=3 2289 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CO2 1626a_100011194316_100000701028 [0,0,0,2,0,0|1,0,0]=3 2290 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CO2 240690a_100011194316_100000701028 [0,0,0,2,0,0|1,0,0]=3 2291 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CO2 527a_100011194316_100000701028 [0,0,0,2,0,0|1,0,0]=3