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)CCCCCCCCCCCCC 1458a_100000185857_100000210684 [0,0,0,0,0,0|2,0,1]=3 3 B17R0.14245 C=C(C)C(=O)CCCCCCCCCCCCO 1458a_100000185857_100009813331 [0,0,0,0,0,0|3,0,1]=4 4 B17R0.14245 C=C(C)C(=O)NCCCCCCCCCCCC 11a_100000210451_100000185857 [0,0,0,0,0,0|2,0,1]=3 5 B17R0.14245 C=C(C)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100000185857 [0,0,0,0,0,0|2,0,1]=3 6 B17R0.14245 C=C(C)C(=O)NCCCNCCCCCCCC 2230a_100016987756_100000210759 [0,0,0,0,0,0|3,0,1]=4 7 B17R0.14245 C=C(C)C(=O)NCCNCCCCCCCCC 2230a_100102636416_100011214924 [0,0,0,0,0,0|3,0,1]=4 8 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCCCC 2230a_100000209983_200010402237 [0,0,0,0,0,0|2,0,1]=3 9 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCCCO 2230a_100000750430_200010402237 [0,0,0,0,0,0|3,0,1]=4 10 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCCCO 34a_100000750430_200010402237 [0,0,0,0,0,0|3,0,1]=4 11 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCCOC 34a_100150723488_200010402237 [0,0,0,0,0,0|3,0,1]=4 12 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCCSC 2230a_100000749238_200010402237 [0,0,0,0,0,0|3,0,1]=4 13 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCOCC 2230a_102516460346_200010402237 [0,0,0,0,0,0|3,0,1]=4 14 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCOCC 34a_102516460346_200010402237 [0,0,0,0,0,0|3,0,1]=4 15 B17R0.14245 C=C(C)C(=O)OCCCCCCNCCSCC 2230a_100000106463_200010402237 [0,0,0,0,0,0|3,0,1]=4 16 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCBr 34a_100011216708_200010402237 [0,0,0,0,0,0|3,0,1]=4 17 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCC 34a_100000210253_200010402237 [0,0,0,0,0,0|2,0,1]=3 18 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCC 7a_100000210253_200010402237 [0,0,0,0,0,0|2,0,1]=3 19 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCCl 34a_100000210776_200010402237 [0,0,0,0,0,0|3,0,1]=4 20 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCCl 7a_100000210776_200010402237 [0,0,0,0,0,0|3,0,1]=4 21 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCF 34a_100011995726_200010402237 [0,0,0,0,0,0|3,0,1]=4 22 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCF 7a_100011995726_200010402237 [0,0,0,0,0,0|3,0,1]=4 23 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCI 34a_200012148704_200010402237 [0,0,0,0,0,0|3,0,1]=4 24 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCCN 34a_100000750430_200010402237 [0,0,0,0,0,0|3,0,1]=4 25 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCNC 34a_100000213112_200010402237 [0,0,0,0,0,0|3,0,1]=4 26 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCOC 34a_100000740835_200010402237 [0,0,0,0,0,0|3,0,1]=4 27 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCSC 34a_100000690336_200010402237 [0,0,0,0,0,0|3,0,1]=4 28 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCCSC 7a_100000690336_200010402237 [0,0,0,0,0,0|3,0,1]=4 29 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCOCC 34a_100000210136_200010402237 [0,0,0,0,0,0|3,0,1]=4 30 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCOCC 7a_100000210136_200010402237 [0,0,0,0,0,0|3,0,1]=4 31 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCSCC 34a_100000212035_200010402237 [0,0,0,0,0,0|3,0,1]=4 32 B17R0.14245 C=C(C)C(=O)OCCCCCCOCCSCC 7a_100000212035_200010402237 [0,0,0,0,0,0|3,0,1]=4 33 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCC 62a_100000210326_200010402237 [0,0,0,0,0,0|2,0,1]=3 34 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCC 62a_200010402237_100000210326 [0,0,0,0,0,0|2,0,1]=3 35 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCF 62a_100000729493_200010402237 [0,0,0,0,0,0|3,0,1]=4 36 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCF 62a_200010402237_100000729493 [0,0,0,0,0,0|3,0,1]=4 37 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCO 62a_100000210776_200010402237 [0,0,0,0,0,0|3,0,1]=4 38 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCCO 62a_200010402237_100000210776 [0,0,0,0,0,0|3,0,1]=4 39 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCOC 62a_100000709357_200010402237 [0,0,0,0,0,0|3,0,1]=4 40 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCCOC 62a_200010402237_100000709357 [0,0,0,0,0,0|3,0,1]=4 41 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCOCC 62a_100000210147_200010402237 [0,0,0,0,0,0|3,0,1]=4 42 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCOCC 62a_200010402237_100011215890 [0,0,0,0,0,0|3,0,1]=4 43 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCSCC 62a_100000757381_200010402237 [0,0,0,0,0,0|3,0,1]=4 44 B17R0.14245 C=C(C)C(=O)OCCCCCCSCCSCC 62a_200010402237_100000757381 [0,0,0,0,0,0|3,0,1]=4 45 B17R0.14245 C=C(C)C(=O)OCCCCOCCCCCCC 7a_100000065474_100000210614 [0,0,0,0,0,0|2,0,1]=3 46 B17R0.14245 C=C(C)C(=O)OCCCCOCCCCCCF 7a_100000065474_100015922095 [0,0,0,0,0,0|3,0,1]=4 47 B17R0.14245 C=C(C)C(=O)OCCCCOCCCCCCO 7a_100000065474_100000766143 [0,0,0,0,0,0|3,0,1]=4 48 B17R0.14245 C=C(C)C(=O)OCCCCOCCOCCCC 7a_100000065474_100000743108 [0,0,0,0,0,0|3,0,1]=4 49 B17R0.14245 C=C(C)C(=O)OCCCOCCCCCCCC 7a_100000032641_100000210759 [0,0,0,0,0,0|2,0,1]=3 50 B17R0.14245 C=C(C)C(=O)OCCCOCCCCCCCO 7a_100000032641_100000760002 [0,0,0,0,0,0|3,0,1]=4 51 B17R0.14245 C=C(C)C(=O)OCCCOCCCCCCOC 7a_100000032641_100011998445 [0,0,0,0,0,0|3,0,1]=4 52 B17R0.14245 C=C(C)C(=O)OCCNCCCCCCCCC 2230a_100000212291_100009816335 [0,0,0,0,0,0|2,0,1]=3 53 B17R0.14245 C=C(C)C(=O)OCCNCCCCCCCCC 34a_100000212291_100009816335 [0,0,0,0,0,0|2,0,1]=3 54 B17R0.14245 C=C(C)C(=O)OCCNCCCCCCCCO 2230a_102515433106_100009816335 [0,0,0,0,0,0|3,0,1]=4 55 B17R0.14245 C=C(C)C(=O)OCCNCCCCCCCCO 34a_102515433106_100009816335 [0,0,0,0,0,0|3,0,1]=4 56 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCBr 34a_100009813846_100009816335 [0,0,0,0,0,0|3,0,1]=4 57 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCBr 7a_100009813846_100009816335 [0,0,0,0,0,0|3,0,1]=4 58 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCC 34a_100000210712_100009816335 [0,0,0,0,0,0|2,0,1]=3 59 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCC 7a_100000210712_100009816335 [0,0,0,0,0,0|2,0,1]=3 60 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCCl 34a_100000033203_100009816335 [0,0,0,0,0,0|3,0,1]=4 61 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCCl 7a_100000033203_100009816335 [0,0,0,0,0,0|3,0,1]=4 62 B17R0.14245 C=C(C)C(=O)OCCOCCCCCCCCN 34a_102515433106_100009816335 [0,0,0,0,0,0|3,0,1]=4 63 B17R0.14245 C=C(C)C(=O)OCCOCCCCNCCCC 34a_200011216965_100009816335 [0,0,0,0,0,0|3,0,1]=4 64 B17R0.14245 C=C(C)C(=O)OCCOCCCCOCCCC 34a_200000760531_100009816335 [0,0,0,0,0,0|3,0,1]=4 65 B17R0.14245 C=C(C)C(=O)OCCOCCCCOCCCC 7a_200000760531_100009816335 [0,0,0,0,0,0|3,0,1]=4 66 B17R0.14245 C=C(C)C(=O)OCCOCCOCCCCCC 34a_100000691444_100009816335 [0,0,0,0,0,0|3,0,1]=4 67 B17R0.14245 C=C(C)C(=O)OCCOCCOCCCCCC 7a_100000691444_100009816335 [0,0,0,0,0,0|3,0,1]=4 68 B17R0.14245 C=C(C)C(=O)OCCSCCCCCCCCC 62a_100009816335_100000210670 [0,0,0,0,0,0|2,0,1]=3 69 B17R0.14245 C=C(C)C(=O)OCCSCCCCCCCCO 62a_100000033203_100009816335 [0,0,0,0,0,0|3,0,1]=4 70 B17R0.14245 C=C(C)C(=O)OCCSCCCCCCCCO 62a_100009816335_100000033203 [0,0,0,0,0,0|3,0,1]=4 71 B17R0.14245 C=C(Cl)C(=O)NCCCCCCCCCCCC 11a_100000210451_100000039160 [0,0,0,0,0,0|2,0,2]=4 72 B17R0.14245 C=C(Cl)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100000039160 [0,0,0,0,0,0|2,0,2]=4 73 B17R0.14245 C=C(F)C(=O)NCCCCCCCCCCCC 11a_100000210451_100000036797 [0,0,0,0,0,0|2,0,2]=4 74 B17R0.14245 C=C(F)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100000036797 [0,0,0,0,0,0|2,0,2]=4 75 B17R0.14245 C=CCCCCCCCCCCCC(=O)C(C)C 1458a_100000210198_102130925996 [0,0,0,0,0,0|2,0,2]=4 76 B17R0.14245 C=CCCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_102130925996 [0,0,0,0,0,0|2,0,2]=4 77 B17R0.14245 C=CCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_102130925996 [0,0,0,0,0,0|2,0,2]=4 78 B17R0.14245 C=CCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_102130925996 [0,0,0,0,0,0|1,0,2]=3 79 B17R0.14245 C=CCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_102130925996 [0,0,0,0,0,0|1,0,2]=3 80 B17R0.14245 C=CCCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100011933949 [0,0,0,0,0,0|2,0,2]=4 81 B17R0.14245 C=CCCCCCCCCSCOC(=O)C(C)C 62a_100011933949_100000139345 [0,0,0,0,0,0|2,0,2]=4 82 B17R0.14245 CC(C)C(=O)CCCCCCCCCCCCO 1458a_100000210198_100009813331 [0,0,0,0,0,0|3,0,0]=3 83 B17R0.14245 CC(C)C(=O)CCCCCCOCCCCCO 1458a_100000210198_200132310570 [0,0,0,0,0,0|4,0,0]=4 84 B17R0.14245 CC(C)C(=O)CNCCCCCCCCCCO 2230a_100000066964_100000753385 [0,0,0,0,0,0|4,0,0]=4 85 B17R0.14245 CC(C)C(=O)CNCCCCCCCCCCO 34a_100000066964_100000753385 [0,0,0,0,0,0|4,0,0]=4 86 B17R0.14245 CC(C)C(=O)COCCCCCCCCCCBr 34a_100009813290_100000753385 [0,0,0,0,0,0|4,0,0]=4 87 B17R0.14245 CC(C)C(=O)COCCCCCCCCCCBr 7a_100009813290_100000753385 [0,0,0,0,0,0|4,0,0]=4 88 B17R0.14245 CC(C)C(=O)COCCCCCCCCCCCl 34a_200000033068_100000753385 [0,0,0,0,0,0|4,0,0]=4 89 B17R0.14245 CC(C)C(=O)COCCCCCCCCCCCl 7a_200000033068_100000753385 [0,0,0,0,0,0|4,0,0]=4 90 B17R0.14245 CC(C)C(=O)COCCCCCCCCCCN 34a_100000066964_100000753385 [0,0,0,0,0,0|4,0,0]=4 91 B17R0.14245 CC(C)C(=O)CSCCCCCCCCCCO 62a_100000753385_200000033068 [0,0,0,0,0,0|4,0,0]=4 92 B17R0.14245 CC(C)C(=O)CSCCCCCCCCCCO 62a_100009813290_100000753385 [0,0,0,0,0,0|4,0,0]=4 93 B17R0.14245 CC(C)C(=O)NCCNCCCCCCCCO 2230a_100000752568_100000033203 [0,0,0,0,0,0|4,0,0]=4 94 B17R0.14245 CC(C)C(=O)NCCNCCCCCCCCO 34a_100000752568_100000033203 [0,0,0,0,0,0|4,0,0]=4 95 B17R0.14245 CC(C)C(=O)OCSCCCCCCCCCO 62a_100000139345_100009813782 [0,0,0,0,0,0|3,0,0]=3 96 B17R0.14245 CC(C)C(=O)OCSCCCCCCCCCO 62a_100009813782_100000139345 [0,0,0,0,0,0|3,0,0]=3 97 B17R0.14245 CC(C)C(C)OCCCCCCCCCCCO 7a_100000748068_100009812471 [0,0,0,0,0,0|3,0,1]=4 98 B17R0.14245 CC(F)C(=O)CCCCCCCCCCCCO 1458a_100000062450_100009813331 [0,0,0,0,0,0|3,0,0]=3 99 B17R0.14245 CC(F)C(=O)CCCCCCOCCCCCO 1458a_100000062450_200132310570 [0,0,0,0,0,0|4,0,0]=4 100 B17R0.14245 CCC#CCCCCCCSCOC(=O)C(C)C 62a_100000139345_200000036426 [0,0,0,0,0,0|2,0,2]=4 101 B17R0.14245 CCC#CCCCCCCSCOC(=O)C(C)C 62a_200000036426_100000139345 [0,0,0,0,0,0|2,0,2]=4 102 B17R0.14245 CCCCCCCCCCC=NNC(=O)C(C)C 4a_100000184118_100011218819 [0,0,0,0,0,0|3,0,1]=4 103 B17R0.14245 CCCCCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210684 [0,0,0,0,0,0|2,0,0]=2 104 B17R0.14245 CCCCCCCCCCCCCC(=O)C(C)C 1458a_100000756256_100000210206 [0,0,0,0,0,0|2,0,0]=2 105 B17R0.14245 CCCCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210684 [0,0,0,0,0,0|2,0,0]=2 106 B17R0.14245 CCCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210684 [0,0,0,0,0,0|2,0,0]=2 107 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000756256 [0,0,0,0,0,0|3,0,0]=3 108 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000756256 [0,0,0,0,0,0|3,0,0]=3 109 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000756256 [0,0,0,0,0,0|3,0,0]=3 110 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210684 [0,0,0,0,0,0|1,0,0]=1 111 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210684 [0,0,0,0,0,0|1,0,0]=1 112 B17R0.14245 CCCCCCCCCCCCCN(C)C(C)C 269982a_200000211004_100000210684 [0,0,0,0,0,0|4,0,0]=4 113 B17R0.14245 CCCCCCCCCCCCCN(C)C(C)C 270004a_200000211004_200011215488 [0,0,0,0,0,0|4,0,0]=4 114 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)N 240690a_100000210451_100011215815 [0,0,0,0,0,0|2,0,2]=4 115 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 11a_100000210451_100000210198 [0,0,0,0,0,0|2,0,0]=2 116 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 1626a_100000210451_100000210198 [0,0,0,0,0,0|2,0,0]=2 117 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 240690a_100000210451_100000210198 [0,0,0,0,0,0|2,0,0]=2 118 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 527a_100000210451_100000210198 [0,0,0,0,0,0|2,0,0]=2 119 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 11a_100000210451_100000062450 [0,0,0,0,0,0|2,0,0]=2 120 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 1626a_100000210451_100000062450 [0,0,0,0,0,0|2,0,0]=2 121 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 240690a_100000210451_100000062450 [0,0,0,0,0,0|2,0,0]=2 122 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 527a_100000210451_100000062450 [0,0,0,0,0,0|2,0,0]=2 123 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 11a_100000210451_100000210393 [0,0,0,0,0,0|3,0,0]=3 124 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 1626a_100000210451_100000210393 [0,0,0,0,0,0|3,0,0]=3 125 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 240690a_100000210451_100000210393 [0,0,0,0,0,0|3,0,0]=3 126 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 527a_100000210451_100000210393 [0,0,0,0,0,0|3,0,0]=3 127 B17R0.14245 CCCCCCCCCCCCNC(=O)C(O)O 240690a_100000210451_100000233687 [0,0,0,0,0,0|2,0,0]=2 128 B17R0.14245 CCCCCCCCCCCCNC(=O)N(C)C 2708a_100000210451_100102631434 [0,0,0,0,0,0|3,0,0]=3 129 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000210451_100000717761 [0,0,0,0,0,0|1,0,0]=1 130 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000210451_217856618621 [0,0,0,0,0,0|1,0,0]=1 131 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000210451_217856618621 [0,0,0,0,0,0|1,0,0]=1 132 B17R0.14245 CCCCCCCCCCCCNC(C)C(C)C 2230a_100000211541_100011215052 [0,0,0,0,0,0|3,0,1]=4 133 B17R0.14245 CCCCCCCCCCCCNC(C)C(C)C 270004a_100000211541_100011218549 [0,0,0,0,0,0|3,0,1]=4 134 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000759014 [0,0,0,0,0,0|1,0,3]=4 135 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 7a_100000210810_100000179758 [0,0,0,0,0,0|1,0,3]=4 136 B17R0.14245 CCCCCCCCCCCCOC(C)C(C)C 7a_100000748068_100000759014 [0,0,0,0,0,0|2,0,1]=3 137 B17R0.14245 CCCCCCCCCCCNCC(=O)C(=O)C 34a_200011215754_100011261029 [0,0,0,0,0,0|2,0,2]=4 138 B17R0.14245 CCCCCCCCCCCNCC(=O)C(C)C 2230a_200011215754_100000753385 [0,0,0,0,0,0|3,0,0]=3 139 B17R0.14245 CCCCCCCCCCCNCC(=O)C(C)C 34a_200011215754_100000753385 [0,0,0,0,0,0|3,0,0]=3 140 B17R0.14245 CCCCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011215454 [0,0,0,0,0,0|4,0,0]=4 141 B17R0.14245 CCCCCCCCCCCNCC(=O)N(C)C 2230a_200011215754_100000185267 [0,0,0,0,0,0|4,0,0]=4 142 B17R0.14245 CCCCCCCCCCCNCC(=O)N(C)C 34a_200011215754_100000692301 [0,0,0,0,0,0|4,0,0]=4 143 B17R0.14245 CCCCCCCCCCCOCC(=O)C(=O)C 34a_100000210809_100011261029 [0,0,0,0,0,0|2,0,2]=4 144 B17R0.14245 CCCCCCCCCCCOCC(=O)C(C)C 34a_100000210809_100000753385 [0,0,0,0,0,0|3,0,0]=3 145 B17R0.14245 CCCCCCCCCCCOCC(=O)C(C)C 7a_100000210809_100000753385 [0,0,0,0,0,0|3,0,0]=3 146 B17R0.14245 CCCCCCCCCCCOCC(=O)N(C)C 34a_100000210809_100000692301 [0,0,0,0,0,0|4,0,0]=4 147 B17R0.14245 CCCCCCCCCCCOCC(=O)N(C)C 7a_100000210809_100000692301 [0,0,0,0,0,0|4,0,0]=4 148 B17R0.14245 CCCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100011215454 [0,0,0,0,0,0|2,0,2]=4 149 B17R0.14245 CCCCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100011215454 [0,0,0,0,0,0|3,0,0]=3 150 B17R0.14245 CCCCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100011215454 [0,0,0,0,0,0|4,0,0]=4 151 B17R0.14245 CCCCCCCCCCNCCC(=O)N(C)C 2230a_100000684558_100000737620 [0,0,0,0,0,0|4,0,0]=4 152 B17R0.14245 CCCCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210320 [0,0,0,0,0,0|4,0,0]=4 153 B17R0.14245 CCCCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210320 [0,0,0,0,0,0|4,0,0]=4 154 B17R0.14245 CCCCCCCCCCOCCC(=O)N(C)C 7a_100000210711_100000737620 [0,0,0,0,0,0|4,0,0]=4 155 B17R0.14245 CCCCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210320 [0,0,0,0,0,0|4,0,0]=4 156 B17R0.14245 CCCCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210320 [0,0,0,0,0,0|2,0,0]=2 157 B17R0.14245 CCCCCCCCCNCCCC(=O)N(C)C 2230a_100000212291_100000737642 [0,0,0,0,0,0|4,0,0]=4 158 B17R0.14245 CCCCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100011214924 [0,0,0,0,0,0|4,0,0]=4 159 B17R0.14245 CCCCCCCCCNCCNC(=O)C(C)C 2230a_100000752568_100011214924 [0,0,0,0,0,0|3,0,0]=3 160 B17R0.14245 CCCCCCCCCNCCNC(=O)C(C)C 34a_100000752568_100011214924 [0,0,0,0,0,0|3,0,0]=3 161 B17R0.14245 CCCCCCCCCOCCCC(=O)N(C)C 7a_100000210712_100000737642 [0,0,0,0,0,0|4,0,0]=4 162 B17R0.14245 CCCCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210670 [0,0,0,0,0,0|4,0,0]=4 163 B17R0.14245 CCCCCCCCNCCCCC(=O)N(C)C 34a_100000229939_100000752486 [0,0,0,0,0,0|4,0,0]=4 164 B17R0.14245 CCCCCCCCOCCCCC(=O)N(C)C 34a_100000210232_100000752486 [0,0,0,0,0,0|4,0,0]=4 165 B17R0.14245 CCCCCCCCOCCCCC(=O)N(C)C 7a_100000210232_100000752486 [0,0,0,0,0,0|4,0,0]=4 166 B17R0.14245 CCCCCCCCSCCCCC(=O)N(C)C 62a_100000210759_100000752486 [0,0,0,0,0,0|4,0,0]=4 167 B17R0.14245 CCCCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210317 [0,0,0,0,0,0|4,0,0]=4 168 B17R0.14245 CN(C)C(=O)CCCCCCCCCCCCO 240690a_100102631434_100102582631 [0,0,0,0,0,0|4,0,0]=4 169 B17R0.14245 C[C@@H](O)C(=O)CCCCCCCCCCCCO 1458a_100000717761_100009813331 [0,0,0,0,0,0|2,0,0]=2 170 B17R0.14245 C[C@@H](O)C(=O)CCCCCCOCCCCCO 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C=CC(=O)OCCCCCCOCCCCC 34a_100000210253_100009894100 [1,0,0,0,0,0|1,0,2]=4 182 B16R0.221 C=CC(=O)OCCCCCCOCCCCC 7a_100000210253_100009894100 [1,0,0,0,0,0|1,0,2]=4 183 B16R0.221 C=CC(=O)OCCCCCCSCCCCC 62a_100000210326_100009894100 [1,0,0,0,0,0|1,0,2]=4 184 B16R0.221 C=CC(=O)OCCCCCCSCCCCC 62a_100009894100_100000210326 [1,0,0,0,0,0|1,0,2]=4 185 B16R0.221 C=CC(=O)OCCCCCOCCCCCC 7a_200011023508_100000210314 [1,0,0,0,0,0|1,0,2]=4 186 B16R0.221 C=CC(=O)OCCNCCCCCCCCC 2230a_100000212291_100009813456 [1,0,0,0,0,0|1,0,2]=4 187 B16R0.221 C=CC(=O)OCCNCCCCCCCCC 34a_100000212291_100009813456 [1,0,0,0,0,0|1,0,2]=4 188 B16R0.221 C=CC(=O)OCCOCCCCCCCCC 34a_100000210712_100009813456 [1,0,0,0,0,0|1,0,2]=4 189 B16R0.221 C=CC(=O)OCCOCCCCCCCCC 7a_100000210712_100009813456 [1,0,0,0,0,0|1,0,2]=4 190 B16R0.221 C=CC(=O)OCCSCCCCCCCCC 62a_100009813456_100000210670 [1,0,0,0,0,0|1,0,2]=4 191 B16R0.221 C=CCCCCCCCCCCCC(=O)CC 1458a_100000210414_102130925996 [1,0,0,0,0,0|1,0,2]=4 192 B16R0.221 C=CCCCCCCCCCCCC(=O)CO 1458a_100000210174_102130925996 [1,0,0,0,0,0|1,0,2]=4 193 B16R0.221 C=CCCCCCCCOCCOC(=O)CC 7a_200000031056_100012355270 [1,0,0,0,0,0|1,0,2]=4 194 B16R0.221 CC(CO)OCCCCCCCCCCCBr 34a_100009812471_100012180447 [1,0,0,0,0,0|2,0,1]=4 195 B16R0.221 CC(CO)OCCCCCCCCCCCBr 7a_100009812471_100012180447 [1,0,0,0,0,0|2,0,1]=4 196 B16R0.221 CCC(=O)CCCCCCCCCCCCO 1458a_100000210414_100009813331 [1,0,0,0,0,0|2,0,0]=3 197 B16R0.221 CCC(=O)CCCCCCOCCCCCO 1458a_100000210414_200132310570 [1,0,0,0,0,0|3,0,0]=4 198 B16R0.221 CCC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747405 [1,0,0,0,0,0|3,0,0]=4 199 B16R0.221 CCC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747405 [1,0,0,0,0,0|3,0,0]=4 200 B16R0.221 CCC(=O)COCCCCCCCCCCO 34a_100000725409_100009813290 [1,0,0,0,0,0|3,0,0]=4 201 B16R0.221 CCC(=O)CSCCCCCCCCCCO 62a_100000747405_200000033068 [1,0,0,0,0,0|3,0,0]=4 202 B16R0.221 CCC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747405 [1,0,0,0,0,0|3,0,0]=4 203 B16R0.221 CCC(=O)NCCNCCCCCCCCO 34a_100132302217_100000033203 [1,0,0,0,0,0|3,0,0]=4 204 B16R0.221 CCC(=O)NCCOCCCCCCCCO 34a_200000158885_100000033203 [1,0,0,0,0,0|3,0,0]=4 205 B16R0.221 CCC(=O)NCCOCCCCCCCCO 7a_200000158885_100000033203 [1,0,0,0,0,0|3,0,0]=4 206 B16R0.221 CCC(=O)OCCOCCCCCCCCO 7a_200000031056_100000033203 [1,0,0,0,0,0|2,0,0]=3 207 B16R0.221 CCC(C)OCCCCCCCCCCCBr 34a_100009812471_100011215416 [1,0,0,0,0,0|2,0,1]=4 208 B16R0.221 CCC(C)OCCCCCCCCCCCBr 7a_100009812471_100000758301 [1,0,0,0,0,0|2,0,1]=4 209 B16R0.221 CCC(C)OCCCCCCCCCCCO 7a_100000210228_100009812471 [1,0,0,0,0,0|2,0,1]=4 210 B16R0.221 CCCCC#CCCCOCCOC(=O)CC 7a_200000031056_200000047210 [1,0,0,0,0,0|1,0,2]=4 211 B16R0.221 CCCCCCCCCCC=NNC(=O)CC 4a_100000183195_100011218819 [1,0,0,0,0,0|2,0,1]=4 212 B16R0.221 CCCCCCCCCCCCCC(=O)CC 1458a_100000210414_100000210684 [1,0,0,0,0,0|1,0,0]=2 213 B16R0.221 CCCCCCCCCCCCCC(=O)CC 1458a_100000756256_100000210202 [1,0,0,0,0,0|1,0,0]=2 214 B16R0.221 CCCCCCCCCCCCCC(=O)CF 1458a_100000756256_100015361967 [1,0,0,0,0,0|2,0,0]=3 215 B16R0.221 CCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000210684 [1,0,0,0,0,0|1,0,0]=2 216 B16R0.221 CCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000756256 [1,0,0,0,0,0|2,0,0]=3 217 B16R0.221 CCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000756256 [1,0,0,0,0,0|2,0,0]=3 218 B16R0.221 CCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000756256 [1,0,0,0,0,0|2,0,0]=3 219 B16R0.221 CCCCCCCCCCCCCN(C)CC 2230a_100000225621_100000210684 [1,0,0,0,0,0|3,0,0]=4 220 B16R0.221 CCCCCCCCCCCCCN(C)CC 269982a_100000225621_100000210684 [1,0,0,0,0,0|3,0,0]=4 221 B16R0.221 CCCCCCCCCCCCNC(=O)CC 11a_100000210451_100000210414 [1,0,0,0,0,0|1,0,0]=2 222 B16R0.221 CCCCCCCCCCCCNC(=O)CC 1626a_100000210451_100000210414 [1,0,0,0,0,0|1,0,0]=2 223 B16R0.221 CCCCCCCCCCCCNC(=O)CC 240690a_100000210451_100000210414 [1,0,0,0,0,0|1,0,0]=2 224 B16R0.221 CCCCCCCCCCCCNC(=O)CC 527a_100000210451_100000210414 [1,0,0,0,0,0|1,0,0]=2 225 B16R0.221 CCCCCCCCCCCCNC(=O)CO 240690a_100000210451_100000210174 [1,0,0,0,0,0|1,0,0]=2 226 B16R0.221 CCCCCCCCCCCCNC(=O)CO 527a_100000210451_100000210174 [1,0,0,0,0,0|1,0,0]=2 227 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100000210451_106832991635 [1,0,0,0,0,0|2,0,0]=3 228 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100000210451 [1,0,0,0,0,0|2,0,0]=3 229 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100000210451_100102657272 [1,0,0,0,0,0|2,0,0]=3 230 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100000210451 [1,0,0,0,0,0|2,0,0]=3 231 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_100000210451_100102657272 [1,0,0,0,0,0|2,0,0]=3 232 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_106832991638_100000210451 [1,0,0,0,0,0|2,0,0]=3 233 B16R0.221 CCCCCCCCCCCCNC(C)CC 2230a_100000209981_100011215052 [1,0,0,0,0,0|2,0,1]=4 234 B16R0.221 CCCCCCCCCCCCNC(C)CC 2230a_100000210451_100000758301 [1,0,0,0,0,0|2,0,1]=4 235 B16R0.221 CCCCCCCCCCCCNC(C)CC 270004a_100000209981_100011218549 [1,0,0,0,0,0|2,0,1]=4 236 B16R0.221 CCCCCCCCCCCCNC(C)CC 34a_100000210451_100011215416 [1,0,0,0,0,0|2,0,1]=4 237 B16R0.221 CCCCCCCCCCCCNC(C)CO 2230a_100000210451_100012180447 [1,0,0,0,0,0|2,0,1]=4 238 B16R0.221 CCCCCCCCCCCCNC(C)CO 34a_100000210451_100012180447 [1,0,0,0,0,0|2,0,1]=4 239 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215052 [1,0,0,0,0,0|2,0,1]=4 240 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 270004a_100000737577_100011218549 [1,0,0,0,0,0|2,0,1]=4 241 B16R0.221 CCCCCCCCCCCCOC(C)CC 34a_100000210810_100011215416 [1,0,0,0,0,0|1,0,1]=3 242 B16R0.221 CCCCCCCCCCCCOC(C)CC 7a_100000210228_100000759014 [1,0,0,0,0,0|1,0,1]=3 243 B16R0.221 CCCCCCCCCCCCOC(C)CC 7a_100000210810_100000758301 [1,0,0,0,0,0|1,0,1]=3 244 B16R0.221 CCCCCCCCCCCCOC(C)CF 34a_100016041109_100000759014 [1,0,0,0,0,0|2,0,1]=4 245 B16R0.221 CCCCCCCCCCCCOC(C)CF 7a_100016041109_100000759014 [1,0,0,0,0,0|2,0,1]=4 246 B16R0.221 CCCCCCCCCCCCOC(C)CN 34a_100000210904_100000759014 [1,0,0,0,0,0|2,0,1]=4 247 B16R0.221 CCCCCCCCCCCCOC(C)CO 34a_100000210810_100012180447 [1,0,0,0,0,0|1,0,1]=3 248 B16R0.221 CCCCCCCCCCCCOC(C)CO 7a_100000210810_100012180447 [1,0,0,0,0,0|1,0,1]=3 249 B16R0.221 CCCCCCCCCCCCSC(C)CO 62a_100012180447_100000759014 [1,0,0,0,0,0|1,1,1]=4 250 B16R0.221 CCCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100000759014 [1,0,0,0,0,0|1,1,1]=4 251 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100011215454 [1,0,0,0,0,0|3,0,0]=4 252 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_200011215754_100000183359 [1,0,0,0,0,0|3,0,0]=4 253 B16R0.221 CCCCCCCCCCCNCC(=O)NC 34a_200011215754_100000183359 [1,0,0,0,0,0|3,0,0]=4 254 B16R0.221 CCCCCCCCCCCNCC(=O)OC 2230a_200011215754_100000747449 [1,0,0,0,0,0|3,0,0]=4 255 B16R0.221 CCCCCCCCCCCNCC(=O)OC 34a_200011215754_100000747449 [1,0,0,0,0,0|3,0,0]=4 256 B16R0.221 CCCCCCCCCCCOCC(=O)CC 34a_100000725409_100011215454 [1,0,0,0,0,0|2,0,0]=3 257 B16R0.221 CCCCCCCCCCCOCC(=O)CC 7a_100000210809_100000747405 [1,0,0,0,0,0|2,0,0]=3 258 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000210809_100000183359 [1,0,0,0,0,0|3,0,0]=4 259 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000750040_100011215454 [1,0,0,0,0,0|3,0,0]=4 260 B16R0.221 CCCCCCCCCCCOCC(=O)NC 7a_100000210809_100000183359 [1,0,0,0,0,0|3,0,0]=4 261 B16R0.221 CCCCCCCCCCCOCC(=O)OC 34a_100000210809_100000747449 [1,0,0,0,0,0|3,0,0]=4 262 B16R0.221 CCCCCCCCCCCOCC(=O)OC 7a_100000210809_100000747449 [1,0,0,0,0,0|3,0,0]=4 263 B16R0.221 CCCCCCCCCCCSCC(=O)CC 62a_100000747405_100011215454 [1,0,0,0,0,0|2,0,0]=3 264 B16R0.221 CCCCCCCCCCCSCC(=O)NC 62a_100000183359_100011215454 [1,0,0,0,0,0|3,0,0]=4 265 B16R0.221 CCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011215454 [1,0,0,0,0,0|3,0,0]=4 266 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000684558_100000737683 [1,0,0,0,0,0|3,0,0]=4 267 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210320 [1,0,0,0,0,0|3,0,0]=4 268 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000684558_100012179268 [1,0,0,0,0,0|3,0,0]=4 269 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000738227_100000210320 [1,0,0,0,0,0|3,0,0]=4 270 B16R0.221 CCCCCCCCCCNCCC(=O)OC 2230a_100000684558_100000204255 [1,0,0,0,0,0|3,0,0]=4 271 B16R0.221 CCCCCCCCCCNCCC(=O)OC 34a_100000684558_100000742370 [1,0,0,0,0,0|3,0,0]=4 272 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000210711_100012179268 [1,0,0,0,0,0|3,0,0]=4 273 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000754576_100000210320 [1,0,0,0,0,0|3,0,0]=4 274 B16R0.221 CCCCCCCCCCOCCC(=O)NC 7a_100000210711_100000737683 [1,0,0,0,0,0|3,0,0]=4 275 B16R0.221 CCCCCCCCCCOCCC(=O)OC 34a_100000210711_100000742370 [1,0,0,0,0,0|3,0,0]=4 276 B16R0.221 CCCCCCCCCCOCCC(=O)OC 7a_100000210711_100000204255 [1,0,0,0,0,0|3,0,0]=4 277 B16R0.221 CCCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210320 [1,0,0,0,0,0|3,0,0]=4 278 B16R0.221 CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210320 [1,0,0,0,0,0|3,0,0]=4 279 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000212291_100000741757 [1,0,0,0,0,0|3,0,0]=4 280 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011214924 [1,0,0,0,0,0|3,0,0]=4 281 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000212291_100000741757 [1,0,0,0,0,0|3,0,0]=4 282 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011214924 [1,0,0,0,0,0|3,0,0]=4 283 B16R0.221 CCCCCCCCCNCCCC(=O)OC 2230a_100000212291_100011218270 [1,0,0,0,0,0|3,0,0]=4 284 B16R0.221 CCCCCCCCCNCCCC(=O)OC 34a_100000212291_100000742333 [1,0,0,0,0,0|3,0,0]=4 285 B16R0.221 CCCCCCCCCNCCNC(=O)CC 34a_100132302217_100011214924 [1,0,0,0,0,0|2,0,0]=3 286 B16R0.221 CCCCCCCCCNCCNC(=O)NC 34a_100015205895_100011214924 [1,0,0,0,0,0|3,0,0]=4 287 B16R0.221 CCCCCCCCCNCCOC(=O)NC 34a_100000212291_200011997002 [1,0,0,0,0,0|2,0,0]=3 288 B16R0.221 CCCCCCCCCOCCCC(=O)NC 34a_100000210712_100000741757 [1,0,0,0,0,0|3,0,0]=4 289 B16R0.221 CCCCCCCCCOCCCC(=O)NC 7a_100000210712_100000741757 [1,0,0,0,0,0|3,0,0]=4 290 B16R0.221 CCCCCCCCCOCCCC(=O)OC 34a_100000210712_100000742333 [1,0,0,0,0,0|3,0,0]=4 291 B16R0.221 CCCCCCCCCOCCCC(=O)OC 7a_100000210712_100011218270 [1,0,0,0,0,0|3,0,0]=4 292 B16R0.221 CCCCCCCCCOCCNC(=O)CC 34a_200000158885_100011214924 [1,0,0,0,0,0|2,0,0]=3 293 B16R0.221 CCCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210328 [1,0,0,0,0,0|2,0,0]=3 294 B16R0.221 CCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011214924 [1,0,0,0,0,0|3,0,0]=4 295 B16R0.221 CCCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210328 [1,0,0,0,0,0|1,0,0]=2 296 B16R0.221 CCCCCCCCCOCCOC(=O)NC 34a_100000210712_200011997002 [1,0,0,0,0,0|2,0,0]=3 297 B16R0.221 CCCCCCCCCOCCOC(=O)NC 7a_100000210712_200011997002 [1,0,0,0,0,0|2,0,0]=3 298 B16R0.221 CCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011214924 [1,0,0,0,0,0|2,0,0]=3 299 B16R0.221 CCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210670 [1,0,0,0,0,0|3,0,0]=4 300 B16R0.221 CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210670 [1,0,0,0,0,0|3,0,0]=4 301 B16R0.221 CCCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210670 [1,0,0,0,0,0|2,0,0]=3 302 B16R0.221 CCCCCCCCNCCCCC(=O)OC 2230a_100000229939_100000204269 [1,0,0,0,0,0|3,0,0]=4 303 B16R0.221 CCCCCCCCNCCCCC(=O)OC 34a_100000229939_100000204269 [1,0,0,0,0,0|3,0,0]=4 304 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210759 [1,0,0,0,0,0|3,0,0]=4 305 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000210232_100000204269 [1,0,0,0,0,0|3,0,0]=4 306 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210759 [1,0,0,0,0,0|3,0,0]=4 307 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000210232_100000204269 [1,0,0,0,0,0|3,0,0]=4 308 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210317 [1,0,0,0,0,0|3,0,0]=4 309 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000210759_100000204269 [1,0,0,0,0,0|3,0,0]=4 310 B16R0.221 CCCCCCCNCCCCCC(=O)OC 2230a_100000229938_100009816466 [1,0,0,0,0,0|3,0,0]=4 311 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210614 [1,0,0,0,0,0|3,0,0]=4 312 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000210272_100009816466 [1,0,0,0,0,0|3,0,0]=4 313 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210614 [1,0,0,0,0,0|3,0,0]=4 314 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000210272_100009816466 [1,0,0,0,0,0|3,0,0]=4 315 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100000210614_100009816466 [1,0,0,0,0,0|3,0,0]=4 316 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210316 [1,0,0,0,0,0|3,0,0]=4 317 B16R0.221 CCCCCCNCCCCCCC(=O)OC 2230a_100000210581_100009815986 [1,0,0,0,0,0|3,0,0]=4 318 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100000210259_100009815986 [1,0,0,0,0,0|3,0,0]=4 319 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210314 [1,0,0,0,0,0|3,0,0]=4 320 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100000210259_100009815986 [1,0,0,0,0,0|3,0,0]=4 321 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210314 [1,0,0,0,0,0|3,0,0]=4 322 B16R0.221 CCCCCCOCCOCCOC(=O)NC 34a_100000691444_200011997002 [1,0,0,0,0,0|3,0,0]=4 323 B16R0.221 CCCCCCOCCOCCOC(=O)NC 7a_100000691444_200011997002 [1,0,0,0,0,0|3,0,0]=4 324 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100000210314_100009815986 [1,0,0,0,0,0|3,0,0]=4 325 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210757 [1,0,0,0,0,0|3,0,0]=4 326 B16R0.221 CCCCCNCCCCCCCC(=O)OC 2230a_100000209983_100010004213 [1,0,0,0,0,0|3,0,0]=4 327 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100000210253_100010004213 [1,0,0,0,0,0|3,0,0]=4 328 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000718602 [1,0,0,0,0,0|3,0,0]=4 329 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100000210253_100010004213 [1,0,0,0,0,0|3,0,0]=4 330 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210326 [1,0,0,0,0,0|3,0,0]=4 331 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100000210326_100010004213 [1,0,0,0,0,0|3,0,0]=4 332 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210326 [1,0,0,0,0,0|3,0,0]=4 333 B16R0.221 CCCCNCCCCCCCCC(=O)OC 2230a_100000102301_100010282707 [1,0,0,0,0,0|3,0,0]=4 334 B16R0.221 CCCCNCCCCCCCCC(=O)OC 7a_106832991798_100010282707 [1,0,0,0,0,0|3,0,0]=4 335 B16R0.221 CCCCNCCCCOCCOC(=O)NC 34a_200011216965_200011997002 [1,0,0,0,0,0|3,0,0]=4 336 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210210 [1,0,0,0,0,0|3,0,0]=4 337 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000210227_100010282707 [1,0,0,0,0,0|3,0,0]=4 338 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210211 [1,0,0,0,0,0|3,0,0]=4 339 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000210227_100010282707 [1,0,0,0,0,0|3,0,0]=4 340 B16R0.221 CCCCOCCCCOCCOC(=O)NC 34a_200000760531_200011997002 [1,0,0,0,0,0|3,0,0]=4 341 B16R0.221 CCCCOCCCCOCCOC(=O)NC 7a_200000760531_200011997002 [1,0,0,0,0,0|3,0,0]=4 342 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100000210211_100010282707 [1,0,0,0,0,0|3,0,0]=4 343 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210210 [1,0,0,0,0,0|3,0,0]=4 344 B16R0.221 CCCOCCCCCCCCCC(=O)OC 34a_100000210258_100009813843 [1,0,0,0,0,0|3,0,0]=4 345 B16R0.221 CCCSCCCCCCCCCC(=O)OC 62a_100000210303_100009813843 [1,0,0,0,0,0|3,0,0]=4 346 B16R0.221 CCNCCCCCCCCCCC(=O)OC 2230a_100015525214_100009812566 [1,0,0,0,0,0|3,0,0]=4 347 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210202 [1,0,0,0,0,0|3,0,0]=4 348 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100121572206_100009812566 [1,0,0,0,0,0|3,0,0]=4 349 B16R0.221 CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210202 [1,0,0,0,0,0|3,0,0]=4 350 B16R0.221 CCOCCCCCCCCCOC(C)CC 34a_100009875440_100011215416 [1,0,0,0,0,0|2,0,1]=4 351 B16R0.221 CCOCCCCCCCCCOC(C)CC 7a_100009875440_100000758301 [1,0,0,0,0,0|2,0,1]=4 352 B16R0.221 CCOCCCCCCCCCOC(C)CO 34a_100009875440_100012180447 [1,0,0,0,0,0|2,0,1]=4 353 B16R0.221 CCOCCCCCCCCCOC(C)CO 7a_100009875440_100012180447 [1,0,0,0,0,0|2,0,1]=4 354 B16R0.221 CCSCCCCCCCCCCC(=O)OC 62a_100000210202_100009812566 [1,0,0,0,0,0|3,0,0]=4 355 B16R0.221 CNC(=O)CCCCCCCCCCCCO 240690a_100102657272_100102582631 [1,0,0,0,0,0|3,0,0]=4 356 B16R0.221 CNC(=O)OCCNCCCCCCCCO 34a_102515433106_200011997002 [1,0,0,0,0,0|3,0,0]=4 357 B16R0.221 CNC(=O)OCCOCCCCCCCCBr 34a_100009813846_200011997002 [1,0,0,0,0,0|3,0,0]=4 358 B16R0.221 CNC(=O)OCCOCCCCCCCCBr 7a_100009813846_200011997002 [1,0,0,0,0,0|3,0,0]=4 359 B16R0.221 CNC(=O)OCCOCCCCCCCCCl 34a_100000033203_200011997002 [1,0,0,0,0,0|3,0,0]=4 360 B16R0.221 CNC(=O)OCCOCCCCCCCCCl 7a_100000033203_200011997002 [1,0,0,0,0,0|3,0,0]=4 361 B16R0.221 CNC(=O)OCCOCCCCCCCCN 34a_102515433106_200011997002 [1,0,0,0,0,0|3,0,0]=4 362 B16R0.221 CNC(=O)OCCSCCCCCCCCO 62a_100000033203_200011997002 [1,0,0,0,0,0|3,0,0]=4 363 B16R0.221 CNC(=O)OCCSCCCCCCCCO 62a_200011997002_100000033203 [1,0,0,0,0,0|3,0,0]=4 364 B16R0.221 CNCCCCCCCCCCCC(=O)OC 2230a_106832991635_100010983606 [1,0,0,0,0,0|3,0,0]=4 365 B16R0.221 CNCCCCCCCCCCCC(=O)OC 34a_100102657272_100010983606 [1,0,0,0,0,0|3,0,0]=4 366 B16R0.221 CNCCCCCCCCCCCC(=O)OC 7a_106832991635_100010983606 [1,0,0,0,0,0|3,0,0]=4 367 B16R0.221 COC(=O)CCCCCCCCCCCSC 62a_200000210301_100010983606 [1,0,0,0,0,0|3,0,0]=4 368 B16R0.221 COC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100010983606 [1,0,0,0,0,0|3,0,0]=4 369 B16R0.221 COC(=O)OCCOCCCCCCCCO 34a_100010262106_100000033203 [1,0,0,0,0,0|3,0,0]=4 370 B16R0.221 COC(=O)OCSCCCCCCCCCO 62a_100009813782_100000139417 [1,0,0,0,0,0|3,0,0]=4 371 B16R0.221 COCCCCCCCCCCCC(=O)OC 34a_100138415774_100010983606 [1,0,0,0,0,0|3,0,0]=4 372 B16R0.221 O=C(CO)CCCCCCCCCCCCO 1458a_100000210174_100009813331 [1,0,0,0,0,0|2,0,0]=3 373 B16R0.221 O=C(CO)CCCCCCOCCCCCO 1458a_100000210174_200132310570 [1,0,0,0,0,0|3,0,0]=4 374 B16R0.224 C=C(C)C(=O)CCCCCCCCCCCC 1458a_100000185857_100000759014 [1,0,0,0,0,0|1,0,1]=3 375 B16R0.224 C=C(C)C(=O)CCCCCCCCCCCO 1458a_100000185857_100009812471 [1,0,0,0,0,0|2,0,1]=4 376 B16R0.224 C=C(C)C(=O)NCCCCCCCCCCC 11a_200011215754_100000185857 [1,0,0,0,0,0|2,0,1]=4 377 B16R0.224 C=C(C)C(=O)NCCCCCCCCCCC 1626a_200011215754_100000185857 [1,0,0,0,0,0|2,0,1]=4 378 B16R0.224 C=C(C)C(=O)OCCCCCCNCCCC 2230a_100000102301_200010402237 [1,0,0,0,0,0|2,0,1]=4 379 B16R0.224 C=C(C)C(=O)OCCCCCCNCCCC 7a_106832991798_200010402237 [1,0,0,0,0,0|2,0,1]=4 380 B16R0.224 C=C(C)C(=O)OCCCCCCOCCCC 34a_100000210227_200010402237 [1,0,0,0,0,0|2,0,1]=4 381 B16R0.224 C=C(C)C(=O)OCCCCCCOCCCC 7a_100000210227_200010402237 [1,0,0,0,0,0|2,0,1]=4 382 B16R0.224 C=C(C)C(=O)OCCCCCCSCCCC 62a_100000210211_200010402237 [1,0,0,0,0,0|2,0,1]=4 383 B16R0.224 C=C(C)C(=O)OCCCCCCSCCCC 62a_200010402237_100000210210 [1,0,0,0,0,0|2,0,1]=4 384 B16R0.224 C=C(C)C(=O)OCCCCOCCCCCC 7a_100000065474_100000210314 [1,0,0,0,0,0|2,0,1]=4 385 B16R0.224 C=C(C)C(=O)OCCCOCCCCCCC 7a_100000032641_100000210614 [1,0,0,0,0,0|2,0,1]=4 386 B16R0.224 C=C(C)C(=O)OCCNCCCCCCCC 2230a_100000229939_100009816335 [1,0,0,0,0,0|2,0,1]=4 387 B16R0.224 C=C(C)C(=O)OCCNCCCCCCCC 34a_100000229939_100009816335 [1,0,0,0,0,0|2,0,1]=4 388 B16R0.224 C=C(C)C(=O)OCCOCCCCCCCC 34a_100000210232_100009816335 [1,0,0,0,0,0|2,0,1]=4 389 B16R0.224 C=C(C)C(=O)OCCOCCCCCCCC 7a_100000210232_100009816335 [1,0,0,0,0,0|2,0,1]=4 390 B16R0.224 C=C(C)C(=O)OCCSCCCCCCCC 62a_100000210759_100009816335 [1,0,0,0,0,0|2,0,1]=4 391 B16R0.224 C=C(C)C(=O)OCCSCCCCCCCC 62a_100009816335_100000210317 [1,0,0,0,0,0|2,0,1]=4 392 B16R0.224 C=CCCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100011093070 [1,0,0,0,0,0|1,0,2]=4 393 B16R0.224 C=CCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100011093070 [1,0,0,0,0,0|1,0,2]=4 394 B16R0.224 C=CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011093070 [1,0,0,0,0,0|1,0,2]=4 395 B16R0.224 C=CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011093070 [1,0,0,0,0,0|0,0,2]=3 396 B16R0.224 C=CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011093070 [1,0,0,0,0,0|0,0,2]=3 397 B16R0.224 C=CCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000081888_100000717761 [1,0,0,0,0,0|1,0,2]=4 398 B16R0.224 C=CCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000081888_217856618621 [1,0,0,0,0,0|1,0,2]=4 399 B16R0.224 C=CCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000081888_217856618621 [1,0,0,0,0,0|1,0,2]=4 400 B16R0.224 CC(C)C(=O)CCCCCCCCCCCO 1458a_100000210198_100009812471 [1,0,0,0,0,0|2,0,0]=3 401 B16R0.224 CC(C)C(=O)CNCCCCCCCCCO 2230a_100000078944_100000753385 [1,0,0,0,0,0|3,0,0]=4 402 B16R0.224 CC(C)C(=O)CNCCCCCCCCCO 34a_100000078944_100000753385 [1,0,0,0,0,0|3,0,0]=4 403 B16R0.224 CC(C)C(=O)COCCCCCCCCCBr 34a_100009813782_100000753385 [1,0,0,0,0,0|3,0,0]=4 404 B16R0.224 CC(C)C(=O)COCCCCCCCCCBr 7a_100009813782_100000753385 [1,0,0,0,0,0|3,0,0]=4 405 B16R0.224 CC(C)C(=O)COCCCCCCCCCCl 34a_100009868337_100000753385 [1,0,0,0,0,0|3,0,0]=4 406 B16R0.224 CC(C)C(=O)COCCCCCCCCCCl 7a_100009868337_100000753385 [1,0,0,0,0,0|3,0,0]=4 407 B16R0.224 CC(C)C(=O)COCCCCCCCCCN 34a_100000078944_100000753385 [1,0,0,0,0,0|3,0,0]=4 408 B16R0.224 CC(C)C(=O)CSCCCCCCCCCO 62a_100000753385_100009813782 [1,0,0,0,0,0|3,0,0]=4 409 B16R0.224 CC(C)C(=O)CSCCCCCCCCCO 62a_100009813782_100000753385 [1,0,0,0,0,0|3,0,0]=4 410 B16R0.224 CC(C)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000210198 [1,0,0,0,0,0|3,0,0]=4 411 B16R0.224 CC(C)C(=O)OCSCCCCCCCCO 62a_100000033203_100000139345 [1,0,0,0,0,0|3,0,0]=4 412 B16R0.224 CC(C)C(=O)OCSCCCCCCCCO 62a_100000139345_100000033203 [1,0,0,0,0,0|3,0,0]=4 413 B16R0.224 CC(F)C(=O)CCCCCCCCCCCO 1458a_100000062450_100009812471 [1,0,0,0,0,0|2,0,0]=3 414 B16R0.224 CC(F)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000062450 [1,0,0,0,0,0|3,0,0]=4 415 B16R0.224 CCCCC#CCCCCCCC(=O)C(C)C 1458a_100000210198_200000043322 [1,0,0,0,0,0|1,0,2]=4 416 B16R0.224 CCCCC#CCCCCCCC(=O)C(C)F 1458a_100000062450_200000043322 [1,0,0,0,0,0|1,0,2]=4 417 B16R0.224 CCCCC#CCCCCCCC(=O)C(O)O 1458a_100000233687_200000043322 [1,0,0,0,0,0|1,0,2]=4 418 B16R0.224 CCCCC#CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_200000043322 [1,0,0,0,0,0|0,0,2]=3 419 B16R0.224 CCCCC#CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_200000043322 [1,0,0,0,0,0|0,0,2]=3 420 B16R0.224 CCCCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000759014 [1,0,0,0,0,0|1,0,0]=2 421 B16R0.224 CCCCCCCCCCCCC(=O)C(C)C 1458a_100011215791_100000210206 [1,0,0,0,0,0|1,0,0]=2 422 B16R0.224 CCCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000759014 [1,0,0,0,0,0|1,0,0]=2 423 B16R0.224 CCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000759014 [1,0,0,0,0,0|1,0,0]=2 424 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100011215791 [1,0,0,0,0,0|2,0,0]=3 425 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100011215791 [1,0,0,0,0,0|2,0,0]=3 426 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100011215791 [1,0,0,0,0,0|2,0,0]=3 427 B16R0.224 CCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000759014 [1,0,0,0,0,0|0,0,0]=1 428 B16R0.224 CCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000759014 [1,0,0,0,0,0|0,0,0]=1 429 B16R0.224 CCCCCCCCCCCCN(C)C(C)C 2230a_100000227908_100000210206 [1,0,0,0,0,0|3,0,0]=4 430 B16R0.224 CCCCCCCCCCCCN(C)C(C)C 269982a_100000227908_100000210206 [1,0,0,0,0,0|3,0,0]=4 431 B16R0.224 CCCCCCCCCCCCN(C)C(C)C 269982a_200000211004_100000759014 [1,0,0,0,0,0|3,0,0]=4 432 B16R0.224 CCCCCCCCCCCCN(C)C(C)C 270004a_200000211004_100011218549 [1,0,0,0,0,0|3,0,0]=4 433 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 11a_200011215754_100000210198 [1,0,0,0,0,0|2,0,0]=3 434 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 1626a_200011215754_100000210198 [1,0,0,0,0,0|2,0,0]=3 435 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 240690a_200011215754_100000210198 [1,0,0,0,0,0|2,0,0]=3 436 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 527a_200011215754_100000210198 [1,0,0,0,0,0|2,0,0]=3 437 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 11a_200011215754_100000062450 [1,0,0,0,0,0|2,0,0]=3 438 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 1626a_200011215754_100000062450 [1,0,0,0,0,0|2,0,0]=3 439 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 240690a_200011215754_100000062450 [1,0,0,0,0,0|2,0,0]=3 440 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 527a_200011215754_100000062450 [1,0,0,0,0,0|2,0,0]=3 441 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 11a_200011215754_100000210393 [1,0,0,0,0,0|3,0,0]=4 442 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 1626a_200011215754_100000210393 [1,0,0,0,0,0|3,0,0]=4 443 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 240690a_200011215754_100000210393 [1,0,0,0,0,0|3,0,0]=4 444 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 527a_200011215754_100000210393 [1,0,0,0,0,0|3,0,0]=4 445 B16R0.224 CCCCCCCCCCCNC(=O)C(O)O 240690a_200011215754_100000233687 [1,0,0,0,0,0|2,0,0]=3 446 B16R0.224 CCCCCCCCCCCNC(=O)N(C)C 2708a_200011215754_100102631434 [1,0,0,0,0,0|3,0,0]=4 447 B16R0.224 CCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_200011215754_100000717761 [1,0,0,0,0,0|1,0,0]=2 448 B16R0.224 CCCCCCCCCCCNC(=O)[C@H](C)O 1626a_200011215754_217856618621 [1,0,0,0,0,0|1,0,0]=2 449 B16R0.224 CCCCCCCCCCCNC(=O)[C@H](C)O 240690a_200011215754_217856618621 [1,0,0,0,0,0|1,0,0]=2 450 B16R0.224 CCCCCCCCCCCOC(C)C(C)C 7a_100000748068_100011215454 [1,0,0,0,0,0|2,0,1]=4 451 B16R0.224 CCCCCCCCCCNCC(=O)C(=O)C 34a_100000684558_100011261029 [1,0,0,0,0,0|1,0,2]=4 452 B16R0.224 CCCCCCCCCCNCC(=O)C(C)C 2230a_100000684558_100000753385 [1,0,0,0,0,0|2,0,0]=3 453 B16R0.224 CCCCCCCCCCNCC(=O)C(C)C 34a_100000684558_100000753385 [1,0,0,0,0,0|2,0,0]=3 454 B16R0.224 CCCCCCCCCCNCC(=O)N(C)C 2230a_100000684558_100000185267 [1,0,0,0,0,0|3,0,0]=4 455 B16R0.224 CCCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210320 [1,0,0,0,0,0|3,0,0]=4 456 B16R0.224 CCCCCCCCCCNCC(=O)N(C)C 34a_100000684558_100000692301 [1,0,0,0,0,0|3,0,0]=4 457 B16R0.224 CCCCCCCCCCOCC(=O)C(=O)C 34a_100000210711_100011261029 [1,0,0,0,0,0|1,0,2]=4 458 B16R0.224 CCCCCCCCCCOCC(=O)C(C)C 34a_100000210711_100000753385 [1,0,0,0,0,0|2,0,0]=3 459 B16R0.224 CCCCCCCCCCOCC(=O)C(C)C 7a_100000210711_100000753385 [1,0,0,0,0,0|2,0,0]=3 460 B16R0.224 CCCCCCCCCCOCC(=O)N(C)C 34a_100000210711_100000692301 [1,0,0,0,0,0|3,0,0]=4 461 B16R0.224 CCCCCCCCCCOCC(=O)N(C)C 7a_100000210711_100000692301 [1,0,0,0,0,0|3,0,0]=4 462 B16R0.224 CCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210320 [1,0,0,0,0,0|1,0,2]=4 463 B16R0.224 CCCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210320 [1,0,0,0,0,0|2,0,0]=3 464 B16R0.224 CCCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210320 [1,0,0,0,0,0|3,0,0]=4 465 B16R0.224 CCCCCCCCCNCCC(=O)N(C)C 2230a_100000212291_100000737620 [1,0,0,0,0,0|3,0,0]=4 466 B16R0.224 CCCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100011214924 [1,0,0,0,0,0|3,0,0]=4 467 B16R0.224 CCCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100011214924 [1,0,0,0,0,0|3,0,0]=4 468 B16R0.224 CCCCCCCCCOCCC(=O)N(C)C 7a_100000210712_100000737620 [1,0,0,0,0,0|3,0,0]=4 469 B16R0.224 CCCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210670 [1,0,0,0,0,0|3,0,0]=4 470 B16R0.224 CCCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210670 [1,0,0,0,0,0|2,0,0]=3 471 B16R0.224 CCCCCCCCNCCCC(=O)N(C)C 2230a_100000229939_100000737642 [1,0,0,0,0,0|3,0,0]=4 472 B16R0.224 CCCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210759 [1,0,0,0,0,0|3,0,0]=4 473 B16R0.224 CCCCCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210759 [1,0,0,0,0,0|3,0,0]=4 474 B16R0.224 CCCCCCCCNCCNC(=O)C(C)C 34a_100000752568_100000210759 [1,0,0,0,0,0|3,0,0]=4 475 B16R0.224 CCCCCCCCOCCCC(=O)N(C)C 7a_100000210232_100000737642 [1,0,0,0,0,0|3,0,0]=4 476 B16R0.224 CCCCCCCCSCCCC(=O)N(C)C 62a_100000210759_100000737642 [1,0,0,0,0,0|3,0,0]=4 477 B16R0.224 CCCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210317 [1,0,0,0,0,0|3,0,0]=4 478 B16R0.224 CCCCCCCOCCCCC(=O)N(C)C 34a_100000210272_100000752486 [1,0,0,0,0,0|3,0,0]=4 479 B16R0.224 CCCCCCCOCCCCC(=O)N(C)C 7a_100000210272_100000752486 [1,0,0,0,0,0|3,0,0]=4 480 B16R0.224 CCCCCCCSCCCCC(=O)N(C)C 62a_100000210614_100000752486 [1,0,0,0,0,0|3,0,0]=4 481 B16R0.224 CCCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210316 [1,0,0,0,0,0|3,0,0]=4 482 B16R0.224 CN(C)C(=O)CCCCCCCCCCCO 240690a_100102631434_100000037981 [1,0,0,0,0,0|3,0,0]=4 483 B16R0.224 C[C@@H](O)C(=O)CCCCCCCCCCCO 1458a_100000717761_100009812471 [1,0,0,0,0,0|1,0,0]=2 484 B16R0.224 C[C@@H](O)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000717761 [1,0,0,0,0,0|2,0,0]=3 485 B16R0.224 C[C@H](O)C(=O)CCCCCCCCCCCO 1458a_217856618621_100009812471 [1,0,0,0,0,0|1,0,0]=2 486 B16R0.224 C[C@H](O)C(=O)NCCCCCCCCCCO 240690a_100000066964_217856618621 [1,0,0,0,0,0|2,0,0]=3 487 B16R0.224 O=C(CCCCCCCCCCCO)C(O)O 1458a_100000233687_100009812471 [1,0,0,0,0,0|2,0,0]=3 488 B16R0.224 O=C(NCCCCCCCCCCO)C(O)O 240690a_100000066964_100000233687 [1,0,0,0,0,0|3,0,0]=4 489 B16R0.274 C#CCCCCCCCCCCOCC(C)O 34a_100000054667_100011218427 [1,0,0,0,0,0|0,0,3]=4 490 B16R0.274 C#CCCCCCCCCCCOCC(C)O 7a_100000054667_100011218427 [1,0,0,0,0,0|0,0,3]=4 491 B16R0.274 C#CCCCCCCCCCCOC[C@@H](C)O 34a_100000054667_100009817552 [1,0,0,0,0,0|0,0,3]=4 492 B16R0.274 C#CCCCCCCCCCCOC[C@@H](C)O 7a_100000054667_100009817552 [1,0,0,0,0,0|0,0,3]=4 493 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210245_100000759014 [1,0,0,0,0,0|1,0,2]=4 494 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210810_100000748629 [1,0,0,0,0,0|1,0,2]=4 495 B16R0.274 C=C(C)COCCCCCCCCCCCC 7a_100000210810_100000748629 [1,0,0,0,0,0|1,0,2]=4 496 B16R0.274 CC(Br)COCCCCCCCCCCCO 34a_100012180447_100009812471 [1,0,0,0,0,0|2,0,1]=4 497 B16R0.274 CC(C)COCCCCCCCCCCCBr 34a_100009812471_100000210624 [1,0,0,0,0,0|2,0,1]=4 498 B16R0.274 CC(C)COCCCCCCCCCCCBr 7a_100009812471_100000210760 [1,0,0,0,0,0|2,0,1]=4 499 B16R0.274 CC(C)COCCCCCCCCCCCO 34a_100000210257_100009812471 [1,0,0,0,0,0|2,0,1]=4 500 B16R0.274 CC(F)COCCCCCCCCCCCO 34a_100015925927_100009812471 [1,0,0,0,0,0|2,0,1]=4 501 B16R0.274 CC(O)CNCCCCCCCCCCCO 2230a_100000210904_100009812471 [1,0,0,0,0,0|2,0,1]=4 502 B16R0.274 CC(O)CNCCCCCCCCCCCO 34a_100000210904_100009812471 [1,0,0,0,0,0|2,0,1]=4 503 B16R0.274 CC(O)COCCCCCCCCCCCBr 34a_100009812471_100011218427 [1,0,0,0,0,0|1,0,1]=3 504 B16R0.274 CC(O)COCCCCCCCCCCCBr 7a_100009812471_100011218427 [1,0,0,0,0,0|1,0,1]=3 505 B16R0.274 CC(O)CSCCCCCCCCCCCO 62a_100009812471_100011218427 [1,0,0,0,0,0|1,1,1]=4 506 B16R0.274 CCC#CCCCCCCCCOCC(C)O 34a_200000031908_100011218427 [1,0,0,0,0,0|0,0,3]=4 507 B16R0.274 CCC#CCCCCCCCCOCC(C)O 7a_200000031908_100011218427 [1,0,0,0,0,0|0,0,3]=4 508 B16R0.274 CCC#CCCCCCCCCOC[C@@H](C)O 34a_200000031908_100009817552 [1,0,0,0,0,0|0,0,3]=4 509 B16R0.274 CCC#CCCCCCCCCOC[C@@H](C)O 7a_200000031908_100009817552 [1,0,0,0,0,0|0,0,3]=4 510 B16R0.274 CCCCCCCCC/C=C/COCC(C)O 34a_100015232335_100011218427 [1,0,0,0,0,0|0,0,3]=4 511 B16R0.274 CCCCCCCCC/C=C/COCC(C)O 7a_100015232335_100011218427 [1,0,0,0,0,0|0,0,3]=4 512 B16R0.274 CCCCCCCCC/C=C/COC[C@@H](C)O 34a_100015232335_100009817552 [1,0,0,0,0,0|0,0,3]=4 513 B16R0.274 CCCCCCCCC/C=C/COC[C@@H](C)O 7a_100015232335_100009817552 [1,0,0,0,0,0|0,0,3]=4 514 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100011215765_100000210206 [1,0,0,0,0,0|3,0,0]=4 515 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100138425928_100000210684 [1,0,0,0,0,0|3,0,0]=4 516 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100011215765_100000210206 [1,0,0,0,0,0|3,0,0]=4 517 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100138425928_100000210684 [1,0,0,0,0,0|3,0,0]=4 518 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000185773_100000210206 [1,0,0,0,0,0|3,0,0]=4 519 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000212225_100000210684 [1,0,0,0,0,0|3,0,0]=4 520 B16R0.274 CCCCCCCCCCCCCOC(C)C 7a_100000185773_100000210206 [1,0,0,0,0,0|3,0,0]=4 521 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210451_100000210760 [1,0,0,0,0,0|2,0,1]=4 522 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210953_100011215052 [1,0,0,0,0,0|2,0,1]=4 523 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210451_100000210432 [1,0,0,0,0,0|2,0,1]=4 524 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210953_100011218549 [1,0,0,0,0,0|2,0,1]=4 525 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210451_100000210624 [1,0,0,0,0,0|2,0,1]=4 526 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210953_100000759014 [1,0,0,0,0,0|2,0,1]=4 527 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210451_100011218427 [1,0,0,0,0,0|1,0,1]=3 528 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215052 [1,0,0,0,0,0|1,0,1]=3 529 B16R0.274 CCCCCCCCCCCCNCC(C)O 270004a_100000210904_100011218549 [1,0,0,0,0,0|1,0,1]=3 530 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210451_100011218427 [1,0,0,0,0,0|1,0,1]=3 531 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210904_100000759014 [1,0,0,0,0,0|1,0,1]=3 532 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 2230a_100000210451_100009817552 [1,0,0,0,0,0|1,0,1]=3 533 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 34a_100000210451_100009817552 [1,0,0,0,0,0|1,0,1]=3 534 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [1,0,0,0,0,0|0,0,3]=4 535 B16R0.274 CCCCCCCCCCCCOCC(C)Br 34a_100012180447_100000759014 [1,0,0,0,0,0|1,0,1]=3 536 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210257_100000759014 [1,0,0,0,0,0|1,0,1]=3 537 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210810_100000210624 [1,0,0,0,0,0|1,0,1]=3 538 B16R0.274 CCCCCCCCCCCCOCC(C)C 7a_100000210810_100000210760 [1,0,0,0,0,0|1,0,1]=3 539 B16R0.274 CCCCCCCCCCCCOCC(C)F 34a_100015925927_100000759014 [1,0,0,0,0,0|1,0,1]=3 540 B16R0.274 CCCCCCCCCCCCOCC(C)O 34a_100000210810_100011218427 [1,0,0,0,0,0|0,0,1]=2 541 B16R0.274 CCCCCCCCCCCCOCC(C)O 7a_100000210810_100011218427 [1,0,0,0,0,0|0,0,1]=2 542 B16R0.274 CCCCCCCCCCCCOCC(F)F 34a_100000210810_100011934356 [1,0,0,0,0,0|2,0,1]=4 543 B16R0.274 CCCCCCCCCCCCOCC(F)F 34a_100000743014_100000759014 [1,0,0,0,0,0|2,0,1]=4 544 B16R0.274 CCCCCCCCCCCCOCC(F)F 7a_100000210810_100011934356 [1,0,0,0,0,0|2,0,1]=4 545 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000759014 [1,0,0,0,0,0|1,0,1]=3 546 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000759014 [1,0,0,0,0,0|1,0,1]=3 547 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 34a_100000210810_100009817552 [1,0,0,0,0,0|0,0,1]=2 548 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 7a_100000210810_100009817552 [1,0,0,0,0,0|0,0,1]=2 549 B16R0.274 CCCCCCCCCCCCSCC(C)O 62a_100011218427_100000759014 [1,0,0,0,0,0|0,1,1]=3 550 B16R0.274 CCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000759014 [1,0,0,0,0,0|0,1,1]=3 551 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215454 [1,0,0,0,0,0|2,0,1]=4 552 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200011215754_100012276601 [1,0,0,0,0,0|2,0,1]=4 553 B16R0.274 CCCCCCCCCCCNCCC(C)O 34a_200011215754_100012276601 [1,0,0,0,0,0|2,0,1]=4 554 B16R0.274 CCCCCCCCCCCOCCC(C)O 34a_100000210809_100012276601 [1,0,0,0,0,0|2,0,1]=4 555 B16R0.274 CCCCCCCCCCCOCCC(C)O 7a_100000210809_100012276601 [1,0,0,0,0,0|2,0,1]=4 556 B16R0.274 CCCCCCCCCCCSCCC(C)O 62a_100012276601_100011215454 [1,0,0,0,0,0|2,0,1]=4 557 B16R0.274 CCCCCCCCCCNCCCC(C)O 2230a_100000684558_200000718107 [1,0,0,0,0,0|2,0,1]=4 558 B16R0.274 CCCCCCCCCCNCCCC(C)O 34a_100000684558_200000718107 [1,0,0,0,0,0|2,0,1]=4 559 B16R0.274 CCCCCCCCCCOCCCC(C)O 34a_100000210711_200000718107 [1,0,0,0,0,0|2,0,1]=4 560 B16R0.274 CCCCCCCCCCOCCCC(C)O 7a_100000210711_200000718107 [1,0,0,0,0,0|2,0,1]=4 561 B16R0.274 CCCCCCCCCCSCCCC(C)O 62a_200000718107_100000210320 [1,0,0,0,0,0|2,0,1]=4 562 B16R0.274 CCCCCCCCCOCCOCC(C)C 34a_100000703358_100011214924 [1,0,0,0,0,0|2,0,1]=4 563 B16R0.274 CCCCCCCCCOCCOCC(C)C 7a_100000703358_100000210328 [1,0,0,0,0,0|2,0,1]=4 564 B16R0.274 CCCCCCCCNCCCOCC(C)C 2230a_100000205972_100000210759 [1,0,0,0,0,0|2,0,1]=4 565 B16R0.274 CCCCCCCCNCCCOCC(C)C 34a_100000205972_100000210759 [1,0,0,0,0,0|2,0,1]=4 566 B16R0.274 CCCCCCOCCOCCOCC(C)O 34a_100000032842_100011218427 [1,0,0,0,0,0|2,0,1]=4 567 B16R0.274 CCCCCCOCCOCCOCC(C)O 7a_100000032842_100011218427 [1,0,0,0,0,0|2,0,1]=4 568 B16R0.274 CCCCCCOCCOCCOC[C@@H](C)O 34a_100000032842_100009817552 [1,0,0,0,0,0|2,0,1]=4 569 B16R0.274 CCCCCCOCCOCCOC[C@@H](C)O 7a_100000032842_100009817552 [1,0,0,0,0,0|2,0,1]=4 570 B16R0.274 CCOCCCCCCCCCOCC(C)C 34a_100009875440_100000210624 [1,0,0,0,0,0|2,0,1]=4 571 B16R0.274 CCOCCCCCCCCCOCC(C)C 7a_100009875440_100000210760 [1,0,0,0,0,0|2,0,1]=4 572 B16R0.274 CCOCCCCCCCCCOCC(C)O 34a_100009875440_100011218427 [1,0,0,0,0,0|1,0,1]=3 573 B16R0.274 CCOCCCCCCCCCOCC(C)O 7a_100009875440_100011218427 [1,0,0,0,0,0|1,0,1]=3 574 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 34a_100009875440_100009817552 [1,0,0,0,0,0|1,0,1]=3 575 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 7a_100009875440_100009817552 [1,0,0,0,0,0|1,0,1]=3 576 B16R0.274 C[C@@H](Cl)COCCCCCCCCCCCO 34a_100016084084_100009812471 [1,0,0,0,0,0|2,0,1]=4 577 B16R0.274 C[C@@H](N)COCCCCCCCCCCCO 34a_100000737577_100009812471 [1,0,0,0,0,0|2,0,1]=4 578 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 34a_100009812471_100009817552 [1,0,0,0,0,0|1,0,1]=3 579 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 7a_100009812471_100009817552 [1,0,0,0,0,0|1,0,1]=3 580 B16R0.274 C[C@@H](O)CSCCCCCCCCCCCO 62a_100009812471_100009817552 [1,0,0,0,0,0|1,1,1]=4 581 B18R0.131 C=C(C)C(=O)OCCCCOC(C)CCCCCC 7a_100000065474_100011215978 [0,1,0,0,0,0|2,0,1]=4 582 B18R0.131 C=C(C)C(=O)OCCOCCC(C)CCCCCC 34a_200011024964_100009816335 [0,1,0,0,0,0|2,0,1]=4 583 B18R0.131 C=C(C)C(=O)OCCOCCC(C)CCCCCC 7a_200011024964_100009816335 [0,1,0,0,0,0|2,0,1]=4 584 B18R0.174 C#CCCCCCCCCCCOCC(=O)C(C)C 34a_100000054667_100000753385 [0,1,0,0,0,0|1,0,2]=4 585 B18R0.174 C#CCCCCCCCCCCOCC(=O)C(C)C 7a_100000054667_100000753385 [0,1,0,0,0,0|1,0,2]=4 586 B18R0.174 C=C(C)C(=O)CCCCCCCCCCCCCO 1458a_100000185857_100009812470 [0,1,0,0,0,0|2,0,1]=4 587 B18R0.174 C=C(C)C(=O)NCCCCCCCCCCCCC 11a_100011215765_100000185857 [0,1,0,0,0,0|2,0,1]=4 588 B18R0.174 C=C(C)C(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000185857 [0,1,0,0,0,0|2,0,1]=4 589 B18R0.174 C=C(C)C(=O)NCCCNCCCCCCCCC 2230a_100016987756_100011214924 [0,1,0,0,0,0|2,0,1]=4 590 B18R0.174 C=C(C)C(=O)NCCNCCCCCCCCCC 2230a_100102636416_100000210320 [0,1,0,0,0,0|2,0,1]=4 591 B18R0.174 C=C(C)C(=O)OCCCCCCNCCCCCC 2230a_100000210581_200010402237 [0,1,0,0,0,0|1,0,1]=3 592 B18R0.174 C=C(C)C(=O)OCCCCCCNCCCCCO 2230a_100000762737_200010402237 [0,1,0,0,0,0|2,0,1]=4 593 B18R0.174 C=C(C)C(=O)OCCCCCCNCCCCCO 34a_100000762737_200010402237 [0,1,0,0,0,0|2,0,1]=4 594 B18R0.174 C=C(C)C(=O)OCCCCCCNCCCOCC 2230a_100000210961_200010402237 [0,1,0,0,0,0|2,0,1]=4 595 B18R0.174 C=C(C)C(=O)OCCCCCCNCCCOCC 34a_100000210961_200010402237 [0,1,0,0,0,0|2,0,1]=4 596 B18R0.174 C=C(C)C(=O)OCCCCCCNCCOCCC 2230a_100161115042_200010402237 [0,1,0,0,0,0|2,0,1]=4 597 B18R0.174 C=C(C)C(=O)OCCCCCCNCCOCCC 34a_100161115042_200010402237 [0,1,0,0,0,0|2,0,1]=4 598 B18R0.174 C=C(C)C(=O)OCCCCCCNCCSCCC 2230a_100020603323_200010402237 [0,1,0,0,0,0|2,0,1]=4 599 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCBr 34a_100000746331_200010402237 [0,1,0,0,0,0|2,0,1]=4 600 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCBr 7a_100000746331_200010402237 [0,1,0,0,0,0|2,0,1]=4 601 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCC 34a_100000210259_200010402237 [0,1,0,0,0,0|1,0,1]=3 602 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCC 7a_100000210259_200010402237 [0,1,0,0,0,0|1,0,1]=3 603 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCCl 34a_100000746330_200010402237 [0,1,0,0,0,0|2,0,1]=4 604 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCCl 7a_100000746330_200010402237 [0,1,0,0,0,0|2,0,1]=4 605 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCI 34a_200012148887_200010402237 [0,1,0,0,0,0|2,0,1]=4 606 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCI 7a_200012148887_200010402237 [0,1,0,0,0,0|2,0,1]=4 607 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCCN 34a_100000762737_200010402237 [0,1,0,0,0,0|2,0,1]=4 608 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCOC 34a_100000740925_200010402237 [0,1,0,0,0,0|2,0,1]=4 609 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCSC 34a_100011217163_200010402237 [0,1,0,0,0,0|2,0,1]=4 610 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCCSC 7a_100011217163_200010402237 [0,1,0,0,0,0|2,0,1]=4 611 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCOCC 34a_100000757476_200010402237 [0,1,0,0,0,0|2,0,1]=4 612 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCOCC 7a_100000757476_200010402237 [0,1,0,0,0,0|2,0,1]=4 613 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCSCC 34a_100011216438_200010402237 [0,1,0,0,0,0|2,0,1]=4 614 B18R0.174 C=C(C)C(=O)OCCCCCCOCCCSCC 7a_100011216438_200010402237 [0,1,0,0,0,0|2,0,1]=4 615 B18R0.174 C=C(C)C(=O)OCCCCCCOCCOCCC 34a_100000752267_200010402237 [0,1,0,0,0,0|2,0,1]=4 616 B18R0.174 C=C(C)C(=O)OCCCCCCOCCOCCC 7a_100000752267_200010402237 [0,1,0,0,0,0|2,0,1]=4 617 B18R0.174 C=C(C)C(=O)OCCCCCCOCCSCCC 34a_200000230433_200010402237 [0,1,0,0,0,0|2,0,1]=4 618 B18R0.174 C=C(C)C(=O)OCCCCCCOCCSCCC 7a_200000230433_200010402237 [0,1,0,0,0,0|2,0,1]=4 619 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCC 62a_100000210314_200010402237 [0,1,0,0,0,0|1,0,1]=3 620 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCC 62a_200010402237_100000210757 [0,1,0,0,0,0|1,0,1]=3 621 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCF 62a_100000729378_200010402237 [0,1,0,0,0,0|2,0,1]=4 622 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCF 62a_200010402237_100000729378 [0,1,0,0,0,0|2,0,1]=4 623 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCO 62a_100000746330_200010402237 [0,1,0,0,0,0|2,0,1]=4 624 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCCO 62a_200010402237_100000746330 [0,1,0,0,0,0|2,0,1]=4 625 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCOC 62a_100000730899_200010402237 [0,1,0,0,0,0|2,0,1]=4 626 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCCOC 62a_200010402237_100000730899 [0,1,0,0,0,0|2,0,1]=4 627 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCOCC 62a_100012232248_200010402237 [0,1,0,0,0,0|2,0,1]=4 628 B18R0.174 C=C(C)C(=O)OCCCCCCSCCCOCC 62a_200010402237_100012232248 [0,1,0,0,0,0|2,0,1]=4 629 B18R0.174 C=C(C)C(=O)OCCCCCCSCCOCCC 62a_100011215938_200010402237 [0,1,0,0,0,0|2,0,1]=4 630 B18R0.174 C=C(C)C(=O)OCCCCCCSCCOCCC 62a_200010402237_100011215938 [0,1,0,0,0,0|2,0,1]=4 631 B18R0.174 C=C(C)C(=O)OCCCCCCSCOCCCC 62a_100011995733_200010402237 [0,1,0,0,0,0|2,0,1]=4 632 B18R0.174 C=C(C)C(=O)OCCCCCCSCOCCCC 62a_200010402237_100011995733 [0,1,0,0,0,0|2,0,1]=4 633 B18R0.174 C=C(C)C(=O)OCCCCOCCCCCCCC 7a_100000065474_100000210759 [0,1,0,0,0,0|1,0,1]=3 634 B18R0.174 C=C(C)C(=O)OCCCCOCCCCCCCO 7a_100000065474_100000760002 [0,1,0,0,0,0|2,0,1]=4 635 B18R0.174 C=C(C)C(=O)OCCCCOCCCCCCOC 7a_100000065474_100011998445 [0,1,0,0,0,0|2,0,1]=4 636 B18R0.174 C=C(C)C(=O)OCCCOCCCCCCCCC 7a_100000032641_100000210328 [0,1,0,0,0,0|1,0,1]=3 637 B18R0.174 C=C(C)C(=O)OCCCOCCCCCCCCO 7a_100000032641_100000033203 [0,1,0,0,0,0|2,0,1]=4 638 B18R0.174 C=C(C)C(=O)OCCNCCCCCCCCCC 2230a_100000684558_100009816335 [0,1,0,0,0,0|1,0,1]=3 639 B18R0.174 C=C(C)C(=O)OCCNCCCCCCCCCC 34a_100000684558_100009816335 [0,1,0,0,0,0|1,0,1]=3 640 B18R0.174 C=C(C)C(=O)OCCNCCCCCCCCCO 2230a_100000078944_100009816335 [0,1,0,0,0,0|2,0,1]=4 641 B18R0.174 C=C(C)C(=O)OCCNCCCCCCCCCO 34a_100000078944_100009816335 [0,1,0,0,0,0|2,0,1]=4 642 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCBr 34a_100009813782_100009816335 [0,1,0,0,0,0|2,0,1]=4 643 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCBr 7a_100009813782_100009816335 [0,1,0,0,0,0|2,0,1]=4 644 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCC 34a_100000210711_100009816335 [0,1,0,0,0,0|1,0,1]=3 645 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCC 7a_100000210711_100009816335 [0,1,0,0,0,0|1,0,1]=3 646 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCCl 34a_100009868337_100009816335 [0,1,0,0,0,0|2,0,1]=4 647 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCCl 7a_100009868337_100009816335 [0,1,0,0,0,0|2,0,1]=4 648 B18R0.174 C=C(C)C(=O)OCCOCCCCCCCCCN 34a_100000078944_100009816335 [0,1,0,0,0,0|2,0,1]=4 649 B18R0.174 C=C(C)C(=O)OCCSCCCCCCCCCC 62a_100009816335_100000210320 [0,1,0,0,0,0|1,0,1]=3 650 B18R0.174 C=C(C)C(=O)OCCSCCCCCCCCCO 62a_100009813782_100009816335 [0,1,0,0,0,0|2,0,1]=4 651 B18R0.174 C=C(C)C(=O)OCCSCCCCCCCCCO 62a_100009816335_100009813782 [0,1,0,0,0,0|2,0,1]=4 652 B18R0.174 C=CCCCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100009814027 [0,1,0,0,0,0|1,0,2]=4 653 B18R0.174 C=CCCCCCCCCCSCOC(=O)C(C)C 62a_100009814027_100000139345 [0,1,0,0,0,0|1,0,2]=4 654 B18R0.174 CC(=O)C(=O)COCCCCCCCCCCCBr 34a_100009812471_100011261029 [0,1,0,0,0,0|1,0,2]=4 655 B18R0.174 CC(C)C(=O)CCCCCCCCCCCCCO 1458a_100000210198_100009812470 [0,1,0,0,0,0|2,0,0]=3 656 B18R0.174 CC(C)C(=O)COCCCCCCCCCCCBr 34a_100009812471_100000753385 [0,1,0,0,0,0|2,0,0]=3 657 B18R0.174 CC(C)C(=O)COCCCCCCCCCCCBr 7a_100009812471_100000753385 [0,1,0,0,0,0|2,0,0]=3 658 B18R0.174 CC(C)C(=O)CSCCCCCCCCCCCO 62a_100009812471_100000753385 [0,1,0,0,0,0|2,1,0]=4 659 B18R0.174 CC(C)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000210198 [0,1,0,0,0,0|2,0,0]=3 660 B18R0.174 CC(C)C(=O)NCCNCCCCCCCCCO 2230a_100000752568_100009813782 [0,1,0,0,0,0|3,0,0]=4 661 B18R0.174 CC(C)C(=O)NCCNCCCCCCCCCO 34a_100000752568_100009813782 [0,1,0,0,0,0|3,0,0]=4 662 B18R0.174 CC(C)C(=O)OCSCCCCCCCCCCO 62a_100000139345_200000033068 [0,1,0,0,0,0|2,0,0]=3 663 B18R0.174 CC(C)C(=O)OCSCCCCCCCCCCO 62a_100009813290_100000139345 [0,1,0,0,0,0|2,0,0]=3 664 B18R0.174 CC(C)C(C)OCCCCCCCCCCCCO 7a_100000748068_100009813331 [0,1,0,0,0,0|2,0,1]=4 665 B18R0.174 CC(F)C(=O)CCCCCCCCCCCCCO 1458a_100000062450_100009812470 [0,1,0,0,0,0|2,0,0]=3 666 B18R0.174 CC(F)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000062450 [0,1,0,0,0,0|2,0,0]=3 667 B18R0.174 CCC#CCCCCCCCCOCC(=O)C(C)C 34a_200000031908_100000753385 [0,1,0,0,0,0|1,0,2]=4 668 B18R0.174 CCC#CCCCCCCCCOCC(=O)C(C)C 7a_200000031908_100000753385 [0,1,0,0,0,0|1,0,2]=4 669 B18R0.174 CCCCCCCCC/C=C/COCC(=O)C(C)C 34a_100015232335_100000753385 [0,1,0,0,0,0|1,0,2]=4 670 B18R0.174 CCCCCCCCC/C=C/COCC(=O)C(C)C 7a_100015232335_100000753385 [0,1,0,0,0,0|1,0,2]=4 671 B18R0.174 CCCCCCCCCCCC=NNC(=O)C(C)C 4a_100000184118_100011218549 [0,1,0,0,0,0|2,0,1]=4 672 B18R0.174 CCCCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011215471 [0,1,0,0,0,0|2,0,0]=3 673 B18R0.174 CCCCCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000297455 [0,1,0,0,0,0|3,0,0]=4 674 B18R0.174 CCCCCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000297455 [0,1,0,0,0,0|3,0,0]=4 675 B18R0.174 CCCCCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000297455 [0,1,0,0,0,0|3,0,0]=4 676 B18R0.174 CCCCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215471 [0,1,0,0,0,0|1,0,0]=2 677 B18R0.174 CCCCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215471 [0,1,0,0,0,0|1,0,0]=2 678 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)C 11a_100011215765_100000210198 [0,1,0,0,0,0|2,0,0]=3 679 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)C 1626a_100011215765_100000210198 [0,1,0,0,0,0|2,0,0]=3 680 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)C 240690a_100011215765_100000210198 [0,1,0,0,0,0|2,0,0]=3 681 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)C 527a_100011215765_100000210198 [0,1,0,0,0,0|2,0,0]=3 682 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 11a_100011215765_100000062450 [0,1,0,0,0,0|2,0,0]=3 683 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 1626a_100011215765_100000062450 [0,1,0,0,0,0|2,0,0]=3 684 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 240690a_100011215765_100000062450 [0,1,0,0,0,0|2,0,0]=3 685 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 527a_100011215765_100000062450 [0,1,0,0,0,0|2,0,0]=3 686 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 11a_100011215765_100000210393 [0,1,0,0,0,0|3,0,0]=4 687 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 1626a_100011215765_100000210393 [0,1,0,0,0,0|3,0,0]=4 688 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 240690a_100011215765_100000210393 [0,1,0,0,0,0|3,0,0]=4 689 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 527a_100011215765_100000210393 [0,1,0,0,0,0|3,0,0]=4 690 B18R0.174 CCCCCCCCCCCCCNC(=O)C(O)O 240690a_100011215765_100000233687 [0,1,0,0,0,0|2,0,0]=3 691 B18R0.174 CCCCCCCCCCCCCNC(=O)N(C)C 2708a_100011215765_100102631434 [0,1,0,0,0,0|3,0,0]=4 692 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100011215765_100000717761 [0,1,0,0,0,0|1,0,0]=2 693 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@H](C)O 1626a_100011215765_217856618621 [0,1,0,0,0,0|1,0,0]=2 694 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@H](C)O 240690a_100011215765_217856618621 [0,1,0,0,0,0|1,0,0]=2 695 B18R0.174 CCCCCCCCCCCCNCC(=O)C(=O)C 34a_100000210451_100011261029 [0,1,0,0,0,0|1,0,2]=4 696 B18R0.174 CCCCCCCCCCCCNCC(=O)C(C)C 2230a_100000210451_100000753385 [0,1,0,0,0,0|2,0,0]=3 697 B18R0.174 CCCCCCCCCCCCNCC(=O)C(C)C 34a_100000210451_100000753385 [0,1,0,0,0,0|2,0,0]=3 698 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 2230a_100000210451_100000185267 [0,1,0,0,0,0|3,0,0]=4 699 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011215052 [0,1,0,0,0,0|3,0,0]=4 700 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 270004a_100015183351_100011218549 [0,1,0,0,0,0|3,0,0]=4 701 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 34a_100000210451_100000692301 [0,1,0,0,0,0|3,0,0]=4 702 B18R0.174 CCCCCCCCCCCCOCC(=O)C(=O)C 34a_100000210810_100011261029 [0,1,0,0,0,0|0,0,2]=3 703 B18R0.174 CCCCCCCCCCCCOCC(=O)C(C)C 34a_100000210810_100000753385 [0,1,0,0,0,0|1,0,0]=2 704 B18R0.174 CCCCCCCCCCCCOCC(=O)C(C)C 7a_100000210810_100000753385 [0,1,0,0,0,0|1,0,0]=2 705 B18R0.174 CCCCCCCCCCCCOCC(=O)N(C)C 34a_100000210810_100000692301 [0,1,0,0,0,0|2,0,0]=3 706 B18R0.174 CCCCCCCCCCCCOCC(=O)N(C)C 7a_100000210810_100000692301 [0,1,0,0,0,0|2,0,0]=3 707 B18R0.174 CCCCCCCCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000759014 [0,1,0,0,0,0|2,0,1]=4 708 B18R0.174 CCCCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000759014 [0,1,0,0,0,0|0,1,2]=4 709 B18R0.174 CCCCCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100000759014 [0,1,0,0,0,0|1,1,0]=3 710 B18R0.174 CCCCCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000759014 [0,1,0,0,0,0|2,1,0]=4 711 B18R0.174 CCCCCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100011215454 [0,1,0,0,0,0|3,0,0]=4 712 B18R0.174 CCCCCCCCCCCNCCC(=O)N(C)C 2230a_200011215754_100000737620 [0,1,0,0,0,0|3,0,0]=4 713 B18R0.174 CCCCCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100011215454 [0,1,0,0,0,0|3,0,0]=4 714 B18R0.174 CCCCCCCCCCCOCCC(=O)N(C)C 7a_100000210809_100000737620 [0,1,0,0,0,0|3,0,0]=4 715 B18R0.174 CCCCCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100011215454 [0,1,0,0,0,0|3,0,0]=4 716 B18R0.174 CCCCCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100011215454 [0,1,0,0,0,0|1,0,0]=2 717 B18R0.174 CCCCCCCCCCNCCCC(=O)N(C)C 2230a_100000684558_100000737642 [0,1,0,0,0,0|3,0,0]=4 718 B18R0.174 CCCCCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210320 [0,1,0,0,0,0|3,0,0]=4 719 B18R0.174 CCCCCCCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210320 [0,1,0,0,0,0|2,0,0]=3 720 B18R0.174 CCCCCCCCCCNCCNC(=O)C(C)C 34a_100000752568_100000210320 [0,1,0,0,0,0|2,0,0]=3 721 B18R0.174 CCCCCCCCCCOCCCC(=O)N(C)C 7a_100000210711_100000737642 [0,1,0,0,0,0|3,0,0]=4 722 B18R0.174 CCCCCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210320 [0,1,0,0,0,0|3,0,0]=4 723 B18R0.174 CCCCCCCCCNCCCCC(=O)N(C)C 34a_100000212291_100000752486 [0,1,0,0,0,0|3,0,0]=4 724 B18R0.174 CCCCCCCCCOCCCCC(=O)N(C)C 34a_100000210712_100000752486 [0,1,0,0,0,0|3,0,0]=4 725 B18R0.174 CCCCCCCCCOCCCCC(=O)N(C)C 7a_100000210712_100000752486 [0,1,0,0,0,0|3,0,0]=4 726 B18R0.174 CCCCCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210670 [0,1,0,0,0,0|3,0,0]=4 727 B18R0.174 CCCCCCOCCOCCOCC(=O)C(C)C 34a_100000032842_100000753385 [0,1,0,0,0,0|3,0,0]=4 728 B18R0.174 CCCCCCOCCOCCOCC(=O)C(C)C 7a_100000032842_100000753385 [0,1,0,0,0,0|3,0,0]=4 729 B18R0.174 CCOCCCCCCCCCOCC(=O)C(=O)C 34a_100009875440_100011261029 [0,1,0,0,0,0|1,0,2]=4 730 B18R0.174 CCOCCCCCCCCCOCC(=O)C(C)C 34a_100009875440_100000753385 [0,1,0,0,0,0|2,0,0]=3 731 B18R0.174 CCOCCCCCCCCCOCC(=O)C(C)C 7a_100009875440_100000753385 [0,1,0,0,0,0|2,0,0]=3 732 B18R0.174 CCOCCCCCCCCCOCC(=O)N(C)C 34a_100009875440_100000692301 [0,1,0,0,0,0|3,0,0]=4 733 B18R0.174 CCOCCCCCCCCCOCC(=O)N(C)C 7a_100009875440_100000692301 [0,1,0,0,0,0|3,0,0]=4 734 B18R0.174 CN(C)C(=O)CCCCCCCCCCCCCO 240690a_100102631434_100020644313 [0,1,0,0,0,0|3,0,0]=4 735 B18R0.174 CN(C)C(=O)COCCCCCCCCCCCBr 34a_100009812471_100000692301 [0,1,0,0,0,0|3,0,0]=4 736 B18R0.174 CN(C)C(=O)COCCCCCCCCCCCBr 7a_100009812471_100000692301 [0,1,0,0,0,0|3,0,0]=4 737 B18R0.174 CN(C)C(=O)NCCCCCCCCCCCCO 2708a_100000066677_100102631434 [0,1,0,0,0,0|3,0,0]=4 738 B18R0.174 C[C@@H](O)C(=O)CCCCCCCCCCCCCO 1458a_100000717761_100009812470 [0,1,0,0,0,0|1,0,0]=2 739 B18R0.174 C[C@@H](O)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000717761 [0,1,0,0,0,0|1,0,0]=2 740 B18R0.174 C[C@H](O)C(=O)CCCCCCCCCCCCCO 1458a_217856618621_100009812470 [0,1,0,0,0,0|1,0,0]=2 741 B18R0.174 C[C@H](O)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_217856618621 [0,1,0,0,0,0|1,0,0]=2 742 B18R0.174 O=C(CCCCCCCCCCCCCO)C(O)O 1458a_100000233687_100009812470 [0,1,0,0,0,0|2,0,0]=3 743 B18R0.174 O=C(NCCCCCCCCCCCCO)C(F)F 240690a_100000066677_100000210393 [0,1,0,0,0,0|3,0,0]=4 744 B18R0.174 O=C(NCCCCCCCCCCCCO)C(O)O 240690a_100000066677_100000233687 [0,1,0,0,0,0|2,0,0]=3 745 B18R0.186 CCCCCCCCCCCC(=O)CC(=O)C(C)C 1458a_100000210736_100000753385 [0,1,0,0,0,0|2,0,1]=4 746 B18R0.186 CCCCCCCCCCCC(O)CC(=O)N(C)C 1626a_100102631434_100000082106 [0,1,0,0,0,0|3,0,0]=4 747 B18R0.186 CCCCCCCCCCCC(O)CC(=O)N(C)C 240690a_100102631434_100000082106 [0,1,0,0,0,0|3,0,0]=4 748 B18R0.186 CCCCCCCCCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000210668 [0,1,0,0,0,0|2,0,1]=4 749 B18R0.186 CCCCCCCCCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000210668 [0,1,0,0,0,0|2,0,1]=4 750 B18R0.189 C#CC(C)C(=O)CCCCCCCCCCCCC 1458a_100000756256_200000035995 [0,1,0,0,0,0|2,0,0]=3 751 B18R0.189 C/C=C(\C)/C(=O)NCCCCCCCCCCCC 11a_100000210451_100020587367 [0,1,0,0,0,0|2,0,1]=4 752 B18R0.189 C/C=C(\C)/C(=O)NCCCCCCCCCCCC 1626a_100000210451_100020587367 [0,1,0,0,0,0|2,0,1]=4 753 B18R0.189 C=CC(C)C(=O)CCCCCCCCCCCCO 1458a_100011216780_100009813331 [0,1,0,0,0,0|3,0,0]=4 754 B18R0.189 C=CC(C)C(=O)NCCCCCCCCCCCC 11a_100000210451_100011216780 [0,1,0,0,0,0|2,0,0]=3 755 B18R0.189 C=CC(C)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100011216780 [0,1,0,0,0,0|2,0,0]=3 756 B18R0.189 C=CC(C)C(=O)NCCCCCCCCCCCC 240690a_100000210451_100011216780 [0,1,0,0,0,0|2,0,0]=3 757 B18R0.189 C=CC(C)C(=O)NCCCCCCCCCCCC 527a_100000210451_100011216780 [0,1,0,0,0,0|2,0,0]=3 758 B18R0.189 C=CCCCCCCCCCCCC(=O)C(C)OC 1458a_100000743197_102130925996 [0,1,0,0,0,0|1,0,2]=4 759 B18R0.189 C=CCCCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_102130925996 [0,1,0,0,0,0|1,0,2]=4 760 B18R0.189 C=CCCCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_102130925996 [0,1,0,0,0,0|1,0,2]=4 761 B18R0.189 CC(C#N)C(=O)CCCCCCCCCCCCO 1458a_100000753662_100009813331 [0,1,0,0,0,0|3,0,0]=4 762 B18R0.189 CCC(C)C(=O)CCCCCCCCCCCCO 1458a_100011192722_100009813331 [0,1,0,0,0,0|3,0,0]=4 763 B18R0.189 CCC(O)C(=O)CCCCCCCCCCCCO 1458a_100011196387_100009813331 [0,1,0,0,0,0|2,0,0]=3 764 B18R0.189 CCC(O)C(=O)CCCCCCOCCCCCO 1458a_100011196387_200132310570 [0,1,0,0,0,0|3,0,0]=4 765 B18R0.189 CCCCCCCCCCC=NNC(=O)C(C)OC 4a_100000243824_100011218819 [0,1,0,0,0,0|2,0,1]=4 766 B18R0.189 CCCCCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210684 [0,1,0,0,0,0|1,0,2]=4 767 B18R0.189 CCCCCCCCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210684 [0,1,0,0,0,0|2,0,0]=3 768 B18R0.189 CCCCCCCCCCCCCC(=O)C(C)C#N 1458a_100000756256_100000703298 [0,1,0,0,0,0|2,0,0]=3 769 B18R0.189 CCCCCCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210684 [0,1,0,0,0,0|1,0,0]=2 770 B18R0.189 CCCCCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210684 [0,1,0,0,0,0|1,0,0]=2 771 B18R0.189 CCCCCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210684 [0,1,0,0,0,0|1,0,0]=2 772 B18R0.189 CCCCCCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000756256 [0,1,0,0,0,0|3,0,0]=4 773 B18R0.189 CCCCCCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000756256 [0,1,0,0,0,0|3,0,0]=4 774 B18R0.189 CCCCCCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000756256 [0,1,0,0,0,0|3,0,0]=4 775 B18R0.189 CCCCCCCCCCCCCN(C)C(C)CO 2230a_100000693034_100000210684 [0,1,0,0,0,0|3,0,0]=4 776 B18R0.189 CCCCCCCCCCCCCN(C)C(C)CO 269982a_100000693034_100000210684 [0,1,0,0,0,0|3,0,0]=4 777 B18R0.189 CCCCCCCCCCCCCN(C)C(C)CO 270004a_100000693034_200011215488 [0,1,0,0,0,0|3,0,0]=4 778 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)NC 1626a_100000210451_100011218921 [0,1,0,0,0,0|1,0,2]=4 779 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)NC 240690a_100000210451_100011218921 [0,1,0,0,0,0|1,0,2]=4 780 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)NC 527a_100000210451_100011218921 [0,1,0,0,0,0|1,0,2]=4 781 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 11a_100000210451_100000024059 [0,1,0,0,0,0|1,0,2]=4 782 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 1626a_100000210451_100000024059 [0,1,0,0,0,0|1,0,2]=4 783 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 240690a_100000210451_100000024059 [0,1,0,0,0,0|1,0,2]=4 784 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 527a_100000210451_100000024059 [0,1,0,0,0,0|1,0,2]=4 785 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)C#N 11a_100000210451_100000753662 [0,1,0,0,0,0|2,0,0]=3 786 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)C#N 1626a_100000210451_100000753662 [0,1,0,0,0,0|2,0,0]=3 787 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)C#N 240690a_100000210451_100000753662 [0,1,0,0,0,0|2,0,0]=3 788 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)C#N 527a_100000210451_100000753662 [0,1,0,0,0,0|2,0,0]=3 789 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)CC 11a_100000210451_100011192722 [0,1,0,0,0,0|2,0,0]=3 790 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)CC 1626a_100000210451_100011192722 [0,1,0,0,0,0|2,0,0]=3 791 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)CC 240690a_100000210451_100011192722 [0,1,0,0,0,0|2,0,0]=3 792 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)CC 527a_100000210451_100011192722 [0,1,0,0,0,0|2,0,0]=3 793 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)OC 11a_100000210451_100000743197 [0,1,0,0,0,0|1,0,0]=2 794 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)OC 1626a_100000210451_100000743197 [0,1,0,0,0,0|1,0,0]=2 795 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)OC 240690a_100000210451_100000743197 [0,1,0,0,0,0|1,0,0]=2 796 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)OC 527a_100000210451_100000743197 [0,1,0,0,0,0|1,0,0]=2 797 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)SC 11a_100000210451_100000149566 [0,1,0,0,0,0|1,1,0]=3 798 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)SC 1626a_100000210451_100000149566 [0,1,0,0,0,0|1,1,0]=3 799 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)SC 240690a_100000210451_100000149566 [0,1,0,0,0,0|1,1,0]=3 800 B18R0.189 CCCCCCCCCCCCNC(=O)C(C)SC 527a_100000210451_100000149566 [0,1,0,0,0,0|1,1,0]=3 801 B18R0.189 CCCCCCCCCCCCNC(=O)C(O)CC 240690a_100000210451_100011196387 [0,1,0,0,0,0|1,0,0]=2 802 B18R0.189 CCCCCCCCCCCCNC(=O)C(O)CO 240690a_100000210451_100011215603 [0,1,0,0,0,0|1,0,0]=2 803 B18R0.189 CCCCCCCCCCCCNC(=O)N(C)CC 2708a_100000210451_100000225621 [0,1,0,0,0,0|3,0,0]=4 804 B18R0.189 CCCCCCCCCCCCNC(=O)N(C)CC 273464a_100000210451_100000225621 [0,1,0,0,0,0|3,0,0]=4 805 B18R0.189 CCCCCCCCCCCNCC(=O)N(C)OC 2230a_100015207273_100011215454 [0,1,0,0,0,0|3,0,0]=4 806 B18R0.189 CCCCCCCCCCCNCC(=O)N(C)OC 2230a_200011215754_100000764215 [0,1,0,0,0,0|3,0,0]=4 807 B18R0.189 CCCCCCCCCCCOCC(=O)N(C)OC 7a_100000210809_100000764215 [0,1,0,0,0,0|3,0,0]=4 808 B18R0.189 CCCCCCCCCCCSCC(=O)N(C)OC 62a_100000764215_100011215454 [0,1,0,0,0,0|3,0,0]=4 809 B18R0.189 CCCCCCCCCOCCCC(=O)N(C)OC 7a_100000210712_100011842776 [0,1,0,0,0,0|3,0,0]=4 810 B18R0.189 CCCCCCCCCSCCCC(=O)N(C)OC 62a_100011842776_100000210670 [0,1,0,0,0,0|3,0,0]=4 811 B18R0.189 COC(C)C(=O)CCCCCCCCCCCCO 1458a_100000743197_100009813331 [0,1,0,0,0,0|2,0,0]=3 812 B18R0.189 COC(C)C(=O)CCCCCCOCCCCCO 1458a_100000743197_200132310570 [0,1,0,0,0,0|3,0,0]=4 813 B18R0.189 CSC(C)C(=O)CCCCCCCCCCCCO 1458a_100000149566_100009813331 [0,1,0,0,0,0|2,1,0]=4 814 B18R0.189 O=C(CCCCCCCCCCCCO)C(O)CO 1458a_100011215603_100009813331 [0,1,0,0,0,0|2,0,0]=3 815 B18R0.189 O=C(CCCCCCOCCCCCO)C(O)CO 1458a_100011215603_200132310570 [0,1,0,0,0,0|3,0,0]=4 816 B18R0.942 C=C(C)C(=O)OCCCCCCNCCCC(C)C 2230a_200000737386_200010402237 [0,1,0,0,0,0|2,0,1]=4 817 B18R0.942 C=C(C)C(=O)OCCCCCCNCCCC(C)C 34a_200000737386_200010402237 [0,1,0,0,0,0|2,0,1]=4 818 B18R0.942 C=C(C)C(=O)OCCCCCCOCCCC(C)C 34a_100000210774_200010402237 [0,1,0,0,0,0|2,0,1]=4 819 B18R0.942 C=C(C)C(=O)OCCCCCCOCCCC(C)C 7a_100000210774_200010402237 [0,1,0,0,0,0|2,0,1]=4 820 B18R0.942 C=C(C)C(=O)OCCCCCCSCCCC(C)C 62a_100011214892_200010402237 [0,1,0,0,0,0|2,0,1]=4 821 B18R0.942 C=C(C)C(=O)OCCCCCCSCCCC(C)C 62a_200010402237_100011214892 [0,1,0,0,0,0|2,0,1]=4 822 B18R0.942 C=C(C)C(=O)OCCCCCCSCCCC(C)O 62a_200000718107_200010402237 [0,1,0,0,0,0|2,0,1]=4 823 B18R0.942 C=C(C)C(=O)OCCCCCCSCCCC(C)O 62a_200010402237_200000718107 [0,1,0,0,0,0|2,0,1]=4 824 B18R0.942 C=C(C)C(=O)OCCCCOCCCCCC(C)C 7a_100000065474_100000210682 [0,1,0,0,0,0|2,0,1]=4 825 B18R0.942 C=C(C)C(=O)OCCOCCCCCCCC(C)C 34a_200000210741_100009816335 [0,1,0,0,0,0|2,0,1]=4 826 B18R0.942 C=C(C)C(=O)OCCOCCCCCCCC(C)C 7a_200000210741_100009816335 [0,1,0,0,0,0|2,0,1]=4 827 B18R0.1438 C=C(C)C(=O)OCCCCCCOCC(C)CCC 34a_100000688023_200010402237 [0,1,0,0,0,0|2,0,1]=4 828 B18R0.1438 C=C(C)C(=O)OCCCCCCOCC(C)CCC 7a_100000688023_200010402237 [0,1,0,0,0,0|2,0,1]=4 829 B18R0.1438 C=C(C)C(=O)OCCCCCCOC[C@@H](N)CCC 34a_100000732646_200010402237 [0,1,0,0,0,0|2,0,1]=4 830 B18R0.1438 C=C(C)C(=O)OCCCCCCSCC(C)CCC 62a_100011216630_200010402237 [0,1,0,0,0,0|2,0,1]=4 831 B18R0.1438 C=C(C)C(=O)OCCCCCCSCC(C)CCC 62a_200010402237_100011216630 [0,1,0,0,0,0|2,0,1]=4 832 B18R0.1438 CCOC(=O)CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009828014 [0,1,0,0,0,0|2,0,1]=4 833 B18R0.1438 CCOC(=O)CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009828014 [0,1,0,0,0,0|2,0,1]=4 834 B18R0.3048 C=CCCCCCCCCCCCC(=O)C(C)(C)O 1458a_100000242741_102130925996 [0,1,0,0,0,0|1,0,2]=4 835 B18R0.3048 CC(C)(Br)C(=O)OCCOCCCCCCCCO 34a_100009817195_100000033203 [0,1,0,0,0,0|3,0,0]=4 836 B18R0.3048 CC(C)(Br)C(=O)OCCOCCCCCCCCO 7a_100009817195_100000033203 [0,1,0,0,0,0|3,0,0]=4 837 B18R0.3048 CC(C)(C)C(=O)CCCCCCCCCCCCO 1458a_106744555173_100009813331 [0,1,0,0,0,0|3,0,0]=4 838 B18R0.3048 CC(C)(C)C(=O)OCSCCCCCCCCCO 62a_100000032063_100009813782 [0,1,0,0,0,0|3,0,0]=4 839 B18R0.3048 CC(C)(C)C(=O)OCSCCCCCCCCCO 62a_100009813782_100000032063 [0,1,0,0,0,0|3,0,0]=4 840 B18R0.3048 CC(C)(F)C(=O)CCCCCCCCCCCCO 1458a_100000765255_100009813331 [0,1,0,0,0,0|3,0,0]=4 841 B18R0.3048 CC(C)(O)C(=O)CCCCCCCCCCCCO 1458a_100000242741_100009813331 [0,1,0,0,0,0|2,0,0]=3 842 B18R0.3048 CC(C)(O)C(=O)CCCCCCOCCCCCO 1458a_100000242741_200132310570 [0,1,0,0,0,0|3,0,0]=4 843 B18R0.3048 CCCCCCCCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210684 [0,1,0,0,0,0|1,0,0]=2 844 B18R0.3048 CCCCCCCCCCCCCC(=O)C(F)(F)F 1458a_100000756256_200000243211 [0,1,0,0,0,0|3,0,0]=4 845 B18R0.3048 CCCCCCCCCCCCCC(=O)C(F)(F)F 1458a_100015355933_100000210684 [0,1,0,0,0,0|3,0,0]=4 846 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)C 11a_100000210451_106744555173 [0,1,0,0,0,0|2,0,0]=3 847 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)C 1626a_100000210451_106744555173 [0,1,0,0,0,0|2,0,0]=3 848 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)C 240690a_100000210451_106744555173 [0,1,0,0,0,0|2,0,0]=3 849 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)C 527a_100000210451_106744555173 [0,1,0,0,0,0|2,0,0]=3 850 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)F 11a_100000210451_100000765255 [0,1,0,0,0,0|2,0,0]=3 851 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)F 1626a_100000210451_100000765255 [0,1,0,0,0,0|2,0,0]=3 852 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)F 240690a_100000210451_100000765255 [0,1,0,0,0,0|2,0,0]=3 853 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)F 527a_100000210451_100000765255 [0,1,0,0,0,0|2,0,0]=3 854 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)O 240690a_100000210451_100000242741 [0,1,0,0,0,0|1,0,0]=2 855 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(F)F 11a_100000210451_100000042251 [0,1,0,0,0,0|2,0,0]=3 856 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(F)F 1626a_100000210451_100000042251 [0,1,0,0,0,0|2,0,0]=3 857 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(F)F 240690a_100000210451_100000042251 [0,1,0,0,0,0|2,0,0]=3 858 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(F)F 527a_100000210451_100000042251 [0,1,0,0,0,0|2,0,0]=3 859 B18R0.3048 CCCCCCCCCCCCNC(=O)C(F)(F)F 11a_100000210451_100015355933 [0,1,0,0,0,0|3,0,0]=4 860 B18R0.3048 CCCCCCCCCCCCNC(=O)C(F)(F)F 1626a_100000210451_100015355933 [0,1,0,0,0,0|3,0,0]=4 861 B18R0.3048 CCCCCCCCCCCCNC(=O)C(F)(F)F 240690a_100000210451_100015355933 [0,1,0,0,0,0|3,0,0]=4 862 B18R0.3048 CCCCCCCCCCCCNC(=O)C(F)(F)F 527a_100000210451_100000210220 [0,1,0,0,0,0|3,0,0]=4 863 B18R0.3048 CCCCCCCCCCCCNC(C)C(C)(C)O 269862a_100000210451_100000747739 [0,1,0,0,0,0|2,0,1]=4 864 B18R0.3048 CCCCCCCCCCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100011215052 [0,1,0,0,0,0|2,0,1]=4 865 B18R0.3048 CCCCCCCCCCCNCC(=O)C(C)(C)C 34a_200011215754_100000229897 [0,1,0,0,0,0|3,0,0]=4 866 B18R0.3048 CCCCCCCCCCCOCC(=O)C(C)(C)C 34a_100000210809_100000229897 [0,1,0,0,0,0|3,0,0]=4 867 B18R0.3048 CCCCCCCCCCCOCC(=O)C(C)(C)C 34a_200011592769_100011215454 [0,1,0,0,0,0|3,0,0]=4 868 B18R0.3048 CCCCCCCCCCCOCC(=O)C(C)(C)C 7a_100000210809_100000210923 [0,1,0,0,0,0|3,0,0]=4 869 B18R0.3048 CCCCCCCCCCCOCC(=O)C(C)(C)C 7a_200011592769_100011215454 [0,1,0,0,0,0|3,0,0]=4 870 B18R0.3048 CCCCCCCCCCCSCC(=O)C(C)(C)C 62a_100000210923_100011215454 [0,1,0,0,0,0|3,0,0]=4 871 B18R0.3048 CCCCCCCCCCSCOC(=O)C(C)(C)C 62a_100000032063_100000210320 [0,1,0,0,0,0|2,0,0]=3 872 B18R0.3048 CCCCCCCCCNCCOC(=O)C(F)(F)F 34a_100000212291_200000066329 [0,1,0,0,0,0|3,0,0]=4 873 B18R0.3048 CCCCCCCCCOCCOC(=O)C(C)(C)Br 34a_100009817195_100011214924 [0,1,0,0,0,0|2,0,0]=3 874 B18R0.3048 CCCCCCCCCOCCOC(=O)C(C)(C)Br 7a_100009817195_100000210328 [0,1,0,0,0,0|2,0,0]=3 875 B18R0.3048 CCCCCCCCCOCCOC(=O)C(F)(F)F 34a_100000210712_200000066329 [0,1,0,0,0,0|3,0,0]=4 876 B18R0.3048 CCCCCCCCCSCCOC(=O)C(F)(F)F 62a_200000066329_100000210670 [0,1,0,0,0,0|3,0,0]=4 877 B18R0.3048 [2H]C([2H])([2H])C(=O)NCCCCCCCCCCCC 11a_100000210451_200015216371 [0,1,0,0,0,0|3,0,0]=4 878 B18R0.3048 [2H]C([2H])([2H])C(=O)NCCCCCCCCCCCC 1626a_100000210451_200015216371 [0,1,0,0,0,0|3,0,0]=4 879 B18R0.3048 [2H]C([2H])([2H])C(=O)NCCCCCCCCCCCC 240690a_100000210451_200015216371 [0,1,0,0,0,0|3,0,0]=4 880 B18R0.3048 [2H]C([2H])([2H])C(=O)NCCCCCCCCCCCC 527a_100000210451_200015216371 [0,1,0,0,0,0|3,0,0]=4 881 B18R0.3072 C=C(C)C(=O)OCCOC(C)CCCCCCCC 34a_100000210740_100009816335 [0,1,0,0,0,0|2,0,1]=4 882 B18R0.3072 C=C(C)C(=O)OCCOC(C)CCCCCCCC 7a_100000210740_100009816335 [0,1,0,0,0,0|2,0,1]=4 883 B18R0.3072 CCCCCCCCC(C)NCCNC(=O)C(C)C 270004a_100000752568_100011216694 [0,1,0,0,0,0|3,0,0]=4 884 B18R0.3150 C#CC(OCCCCCCCCCCCC)C(C)C 34a_100011217124_100000759014 [0,1,0,0,0,0|2,0,1]=4 885 B18R0.3150 C#CC(OCCCCCCCCCCCC)C(C)C 7a_100011217124_100000759014 [0,1,0,0,0,0|2,0,1]=4 886 B18R0.3150 CCCCCCCCCCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100011215052 [0,1,0,0,0,0|2,0,1]=4 887 B18R0.3150 CCCCCCCCCCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000759014 [0,1,0,0,0,0|2,0,1]=4 888 B18R0.3150 CCCCCCCCCCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011215052 [0,1,0,0,0,0|1,0,2]=4 889 B18R0.3150 CCCCCCCCCCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000759014 [0,1,0,0,0,0|1,0,2]=4 890 B18R0.3150 CCCCCCCCCCCCOC(C#N)C(C)C 34a_100000748901_100000759014 [0,1,0,0,0,0|2,0,1]=4 891 B18R0.3150 CCCCCCCCCCCCOC(C#N)C(C)C 7a_100000748901_100000759014 [0,1,0,0,0,0|2,0,1]=4 892 B18R0.3150 CCCCCCCCCCCCOC(CN)C(C)C 34a_100000759067_100000759014 [0,1,0,0,0,0|2,0,1]=4 893 B18R0.11632 C=C(C)C(=O)OCCC(=O)CCCCCCCCC 1458a_100000210558_100009816335 [0,1,0,0,0,0|1,0,2]=4 894 B18R0.11632 C=C(C)C(=O)OCCN(C)CCCCCCCCC 2230a_100000232482_100009816335 [0,1,0,0,0,0|2,0,1]=4 895 B18R0.11632 C=C(C)C(=O)OCCN(C)CCCCCCCCC 269982a_100000232482_100009816335 [0,1,0,0,0,0|2,0,1]=4 896 B18R0.15767 C=C(C)C(=O)OCCCCCCNCCC(C)CC 2230a_100020591266_200010402237 [0,1,0,0,0,0|2,0,1]=4 897 B18R0.15767 C=C(C)C(=O)OCCCCCCOCCC(C)CC 7a_100011215188_200010402237 [0,1,0,0,0,0|2,0,1]=4 898 B18R0.15767 COC(=O)CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009812566 [0,1,0,0,0,0|2,0,1]=4 899 B18R0.15767 COC(=O)CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009812566 [0,1,0,0,0,0|2,0,1]=4 900 B18R0.19339 C=C(C)C(=O)OCCCOC(C)CCCCCCC 7a_100000032641_200011218727 [0,1,0,0,0,0|2,0,1]=4 901 B18R0.19787 C=C(C)C(=O)N(C)CCCCCCCCCCCC 11a_100000227908_100000185857 [0,1,0,0,0,0|2,0,1]=4 902 B18R0.19787 C=C(C)C(=O)N(C)CCCCCCCCCCCC 1626a_100000227908_100000185857 [0,1,0,0,0,0|2,0,1]=4 903 B18R0.19787 CCCCCCCCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000759014 [0,1,0,0,0,0|3,0,0]=4 904 B18R0.19787 CCCCCCCCCCCCC(C)C(=O)C(C)F 1458a_100000062450_200011217028 [0,1,0,0,0,0|2,0,0]=3 905 B18R0.19787 CCCCCCCCCCCCC(C)C(=O)C(O)O 1458a_100000233687_200011217028 [0,1,0,0,0,0|2,0,0]=3 906 B18R0.19787 CCCCCCCCCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011217028 [0,1,0,0,0,0|1,0,0]=2 907 B18R0.19787 CCCCCCCCCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011217028 [0,1,0,0,0,0|1,0,0]=2 908 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)C 11a_100000227908_100000210198 [0,1,0,0,0,0|2,0,0]=3 909 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)C 1626a_100000227908_100000210198 [0,1,0,0,0,0|2,0,0]=3 910 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)C 240690a_100000227908_100000210198 [0,1,0,0,0,0|2,0,0]=3 911 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)C 527a_100000227908_100000210198 [0,1,0,0,0,0|2,0,0]=3 912 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)F 11a_100000227908_100000062450 [0,1,0,0,0,0|2,0,0]=3 913 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)F 1626a_100000227908_100000062450 [0,1,0,0,0,0|2,0,0]=3 914 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)F 240690a_100000227908_100000062450 [0,1,0,0,0,0|2,0,0]=3 915 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(C)F 527a_100000227908_100000062450 [0,1,0,0,0,0|2,0,0]=3 916 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(F)F 11a_100000227908_100000210393 [0,1,0,0,0,0|3,0,0]=4 917 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(F)F 1626a_100000227908_100000210393 [0,1,0,0,0,0|3,0,0]=4 918 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(F)F 240690a_100000227908_100000210393 [0,1,0,0,0,0|3,0,0]=4 919 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(F)F 527a_100000227908_100000210393 [0,1,0,0,0,0|3,0,0]=4 920 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)C(O)O 240690a_100000227908_100000233687 [0,1,0,0,0,0|2,0,0]=3 921 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)[C@@H](C)O 240690a_100000227908_100000717761 [0,1,0,0,0,0|1,0,0]=2 922 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)[C@H](C)O 1626a_100000227908_217856618621 [0,1,0,0,0,0|1,0,0]=2 923 B18R0.19787 CCCCCCCCCCCCN(C)C(=O)[C@H](C)O 240690a_100000227908_217856618621 [0,1,0,0,0,0|1,0,0]=2 924 B18R0.19787 CCCCCCCCCCCNC(C)C(=O)C(C)C 2230a_200011215754_100009893295 [0,1,0,0,0,0|3,0,0]=4 925 B18R0.19787 CCCCCCCCCCCOC(C)C(=O)C(C)C 7a_100000210809_100009893295 [0,1,0,0,0,0|3,0,0]=4 926 B18R0.19787 CCCCCCCCCCCSC(C)C(=O)C(C)C 62a_100009893295_100011215454 [0,1,0,0,0,0|3,0,0]=4 927 B18R0.19789 C=C(C)C(=O)OCC(C)OCCCCCCCCC 7a_100000061822_100000210328 [0,1,0,0,0,0|2,0,1]=4 928 B18R0.19789 C=C(C)C(=O)OCC(O)CNCCCCCCCC 34a_100000229939_100000037624 [0,1,0,0,0,0|2,0,1]=4 929 B18R0.19789 C=C(C)C(=O)OCC(O)COCCCCCCCC 34a_100000210232_100000037624 [0,1,0,0,0,0|2,0,1]=4 930 B18R0.19789 C=C(C)C(=O)OCC(O)COCCCCCCCC 7a_100000210232_100000037624 [0,1,0,0,0,0|2,0,1]=4 931 B18R0.19789 C=C(C)C(=O)OCC(O)CSCCCCCCCC 62a_100000037624_100000210317 [0,1,0,0,0,0|2,0,1]=4 932 B18R0.19789 C=C(C)C(=O)OCC(O)CSCCCCCCCC 62a_100000210759_100000037624 [0,1,0,0,0,0|2,0,1]=4 933 B18R0.19789 CC(C)C(=O)OCC(=O)CCCCCCCCCF 1458a_200009909015_100000139345 [0,1,0,0,0,0|2,0,1]=4 934 B18R0.19789 CCCCCCCCCCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210319 [0,1,0,0,0,0|2,0,1]=4 935 B18R0.19789 CCCCCCCCCCC(=O)COC(=O)C(C)C 1458a_100000210375_100000139345 [0,1,0,0,0,0|1,0,1]=3 936 B18R0.19789 CCCCCCCCCCC(C)OCC(=O)C(C)C 34a_100011215000_100000753385 [0,1,0,0,0,0|3,0,0]=4 937 B18R0.19789 CCCCCCCCCCC(C)OCC(=O)C(C)C 7a_100011215000_100000753385 [0,1,0,0,0,0|3,0,0]=4 938 B18R0.19789 CCCCCCCCOCC(=O)COC(=O)C(C)C 1458a_100000759886_100000139345 [0,1,0,0,0,0|2,0,1]=4 939 B18R0.19862 C=C(C)C(=O)OCCCCCCNC(C)CCCC 2230a_100000126638_200010402237 [0,1,0,0,0,0|2,0,1]=4 940 B18R0.19862 C=C(C)C(=O)OCCCCCCOC(C)CCCC 34a_100000687866_200010402237 [0,1,0,0,0,0|2,0,1]=4 941 B18R0.19862 C=C(C)C(=O)OCCCCCCOC(C)CCCC 7a_100000687866_200010402237 [0,1,0,0,0,0|2,0,1]=4 942 B18R0.19862 C=C(C)C(=O)OCCCCCCSC(C)CCCC 62a_200010402237_200011215066 [0,1,0,0,0,0|2,0,1]=4 943 B18R0.19862 C=C(C)C(=O)OCCCCCCSC(C)CCCC 62a_200011215066_200010402237 [0,1,0,0,0,0|2,0,1]=4 944 B18R0.19862 C=C(C)C(=O)OCCOCCCCC(C)CCCC 34a_200011021034_100009816335 [0,1,0,0,0,0|2,0,1]=4 945 B18R0.19862 C=C(C)C(=O)OCCOCCCCC(C)CCCC 7a_200011021034_100009816335 [0,1,0,0,0,0|2,0,1]=4 946 B18R0.19914 CCCCCCCCCCCCNS(=O)(=O)C(C)C 270084a_100000210451_100000742656 [0,1,0,0,0,0|3,0,0]=4 947 B18R0.19914 CCCCCCCCCCCCNS(=O)(=O)C(C)C 274078a_100000210451_100000742656 [0,1,0,0,0,0|3,0,0]=4 948 B18R0.20489 C=C(C)C(=O)OCCCCCCC(=O)CCCCC 1458a_100000212188_200010402237 [0,1,0,0,0,0|1,0,2]=4 949 B18R0.20489 C=C(C)C(=O)OCCCCCCN(C)CCCCC 2230a_100000223495_200010402237 [0,1,0,0,0,0|2,0,1]=4 950 B18R0.20489 C=C(C)C(=O)OCCCCCCN(C)CCCCC 269982a_100000223495_200010402237 [0,1,0,0,0,0|2,0,1]=4 951 B18R1.955 CCCCC1CCCC1NCCNC(=O)C(C)C 269862a_100000752568_100000750825 [0,0,0,1,0,0|3,0,0]=4 952 B18R1.955 CCCCC1CCCC1NCCNC(=O)C(C)C 270004a_100000752568_100000750825 [0,0,0,1,0,0|3,0,0]=4 953 B18R1.4457 C=C(C)C(=O)OCCCCCCNC1CCCC1 2230a_100000211070_200010402237 [0,0,0,1,0,0|2,0,1]=4 954 B18R1.4457 C=C(C)C(=O)OCCCCCCNC1CCCC1 34a_100000211070_200010402237 [0,0,0,1,0,0|2,0,1]=4 955 B18R1.4457 C=C(C)C(=O)OCCCCCCOC1CCCC1 34a_100000210269_200010402237 [0,0,0,1,0,0|2,0,1]=4 956 B18R1.4457 C=C(C)C(=O)OCCCCCCOC1CCCC1 7a_100000210269_200010402237 [0,0,0,1,0,0|2,0,1]=4 957 B18R1.4457 C=C(C)C(=O)OCCCCCCSC1CCCC1 62a_100011217020_200010402237 [0,0,0,1,0,0|2,0,1]=4 958 B18R1.4457 C=C(C)C(=O)OCCCCCCSC1CCCC1 62a_200010402237_100000179811 [0,0,0,1,0,0|2,0,1]=4 959 B18R1.4457 C=C(C)C(=O)OCCCCOCCC1CCCC1 7a_100000065474_100000760354 [0,0,0,1,0,0|2,0,1]=4 960 B18R1.4457 C=C(C)C(=O)OCCCOCCCC1CCCC1 7a_100000032641_100011713738 [0,0,0,1,0,0|2,0,1]=4 961 B18R1.4475 C=C(C)C(=O)OCCCCOCC1CCCCC1 7a_100000065474_100000211423 [0,0,0,1,0,0|2,0,1]=4 962 B18R1.4475 C=C(C)C(=O)OCCCOCCC1CCCCC1 7a_100000032641_100011273959 [0,0,0,1,0,0|2,0,1]=4 963 B18R1.4475 C=C(C)C(=O)OCCNCCCC1CCCCC1 2230a_100011211642_100009816335 [0,0,0,1,0,0|2,0,1]=4 964 B18R1.4475 C=C(C)C(=O)OCCNCCCC1CCCCC1 34a_100011211642_100009816335 [0,0,0,1,0,0|2,0,1]=4 965 B18R1.4475 C=C(C)C(=O)OCCOCCCC1CCCCC1 34a_100000198086_100009816335 [0,0,0,1,0,0|2,0,1]=4 966 B18R1.4475 C=C(C)C(=O)OCCOCCCC1CCCCC1 7a_100000198086_100009816335 [0,0,0,1,0,0|2,0,1]=4 967 B18R1.4475 C=C(C)C(=O)OCCSCCCC1CCCCC1 62a_100009816335_100011713725 [0,0,0,1,0,0|2,0,1]=4 968 B18R1.4475 C=C(C)C(=O)OCCSCCCC1CCCCC1 62a_100011713725_100009816335 [0,0,0,1,0,0|2,0,1]=4 969 B18R1.4475 CC(C)C(=O)NCCNCCCC1CCCCC1 2230a_100000752568_100011713725 [0,0,0,1,0,0|3,0,0]=4 970 B18R1.4475 CC(C)C(=O)NCCNCCCC1CCCCC1 34a_100000752568_100011713725 [0,0,0,1,0,0|3,0,0]=4 971 B18R1.4475 C[C@@H](O)C(=O)CCCCCCOC1CCCCO1 1458a_100000717761_100000033462 [0,0,0,1,0,0|3,0,0]=4 972 B18R1.4475 C[C@H](O)C(=O)CCCCCCOC1CCCCO1 1458a_217856618621_100000033462 [0,0,0,1,0,0|3,0,0]=4 973 B18R1.4936 C=C(C)C(=O)OCCOC1CCCCC1CCC 34a_100011217265_100009816335 [0,0,0,1,0,0|2,0,1]=4 974 B18R1.4936 C=C(C)C(=O)OCCOC1CCCCC1CCC 7a_100011217265_100009816335 [0,0,0,1,0,0|2,0,1]=4 975 B18R1.4936 CCCC1CCCCC1NCCNC(=O)C(C)C 269862a_100000752568_100011218038 [0,0,0,1,0,0|3,0,0]=4 976 B18R1.4936 CCCC1CCCCC1NCCNC(=O)C(C)C 270004a_100000752568_100011218038 [0,0,0,1,0,0|3,0,0]=4 977 B18R1.10498 C=C(C)C(=O)OCCCCCCN1CCC[C@@H]1C 2230a_100020605311_200010402237 [0,0,0,1,0,0|2,0,1]=4 978 B18R1.10498 C=C(C)C(=O)OCCCCCCN1CCC[C@@H]1C 269982a_100020605311_200010402237 [0,0,0,1,0,0|2,0,1]=4 979 B18R1.10498 C=C(C)C(=O)OCCCCCCN1CCC[C@H]1C 2230a_100015189458_200010402237 [0,0,0,1,0,0|2,0,1]=4 980 B18R1.10498 C=C(C)C(=O)OCCCCCCN1CCC[C@H]1C 269982a_100015189458_200010402237 [0,0,0,1,0,0|2,0,1]=4 981 B18R1.10498 C=C(C)C(=O)OCCCCCCN1CCC[C@H]1C 34a_100015189458_200010402237 [0,0,0,1,0,0|2,0,1]=4 982 B18R1.13446 CCCCCCCCCN1CCNC(=O)C1(C)C 2230a_100000751695_100011214924 [0,0,0,1,0,0|3,0,0]=4 983 B18R1.13446 CCCCCCCCCN1CCNC(=O)C1(C)C 269982a_100000751695_100000210670 [0,0,0,1,0,0|3,0,0]=4 984 B18R1.13446 CCCCCCCCCN1CCNC(=O)C1(C)C 34a_100000751695_100011214924 [0,0,0,1,0,0|3,0,0]=4 985 B18R1.13810 C=C(C)C(=O)OCCCCCCOCC1CC1C 34a_100000744939_200010402237 [0,0,0,1,0,0|2,0,1]=4 986 B18R1.13810 C=C(C)C(=O)OCCCCCCOCC1CC1C 7a_100000744939_200010402237 [0,0,0,1,0,0|2,0,1]=4 987 B18R1.17254 C[C@@H](O)C(=O)C1CCCCCCCCCCC1=O 1458a_100000717761_200009990614 [0,0,0,1,0,0|2,0,1]=4 988 B18R1.17254 C[C@H](O)C(=O)C1CCCCCCCCCCC1=O 1458a_217856618621_200009990614 [0,0,0,1,0,0|2,0,1]=4 989 B18R1.34999 CCCCCCCCCCNC1C=C(C(=O)O1)C 2230a_100000684558_200009893386 [0,0,0,1,0,0|2,0,1]=4 990 B18R1.34999 CCCCCCCCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210320 [0,0,0,1,0,0|2,0,1]=4 991 B18R1.40557 CCCCCCCCCCc1noc(n1)[C@@H](C)O 270196a_200011216699_100000717761 [0,0,0,1,0,0|2,0,1]=4 992 B18R1.40557 CCCCCCCCCCc1noc(n1)[C@H](C)O 270196a_200011216699_217856618621 [0,0,0,1,0,0|2,0,1]=4 993 B18R1.49730 C=CCCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_102130925996 [0,0,0,1,0,0|1,0,2]=4 994 B18R1.49730 CCCCCCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210684 [0,0,0,1,0,0|2,0,0]=3 995 B18R1.49730 CCCCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210684 [0,0,0,1,0,0|1,0,0]=2 996 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CC1 11a_100000210451_100000210395 [0,0,0,1,0,0|2,0,0]=3 997 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CC1 1626a_100000210451_100000210395 [0,0,0,1,0,0|2,0,0]=3 998 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CC1 240690a_100000210451_100000210395 [0,0,0,1,0,0|2,0,0]=3 999 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CC1 527a_100000210451_100000210395 [0,0,0,1,0,0|2,0,0]=3 1000 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CO1 11a_100000210451_100000701028 [0,0,0,1,0,0|1,0,0]=2 1001 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CO1 1626a_100000210451_100000701028 [0,0,0,1,0,0|1,0,0]=2 1002 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CO1 240690a_100000210451_100000701028 [0,0,0,1,0,0|1,0,0]=2 1003 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CO1 527a_100000210451_100000701028 [0,0,0,1,0,0|1,0,0]=2 1004 B18R1.49730 CCCCCCCCCCCCNC(C)C1CO1 270004a_100000210451_100000031964 [0,0,0,1,0,0|2,0,1]=4 1005 B18R1.49730 CCCCCCCCCCCCOC(C)C1CC1 34a_100000744524_100000759014 [0,0,0,1,0,0|2,0,1]=4 1006 B18R1.49730 CCCCCCCCCCCCOC(C)C1CC1 7a_100000744524_100000759014 [0,0,0,1,0,0|2,0,1]=4 1007 B18R1.49730 CCCCCCCCCCCNCC(=O)C1CC1 2230a_200011215754_100000746382 [0,0,0,1,0,0|3,0,0]=4 1008 B18R1.49730 CCCCCCCCCCCNCC(=O)C1CC1 34a_200011215754_100000746382 [0,0,0,1,0,0|3,0,0]=4 1009 B18R1.49730 CCCCCCCCCCCOCC(=O)C1CC1 34a_100000210809_100000746382 [0,0,0,1,0,0|3,0,0]=4 1010 B18R1.49730 CCCCCCCCCCCOCC(=O)C1CC1 34a_100000686663_100011215454 [0,0,0,1,0,0|3,0,0]=4 1011 B18R1.49730 CCCCCCCCCCCOCC(=O)C1CC1 7a_100000210809_100000746382 [0,0,0,1,0,0|3,0,0]=4 1012 B18R1.49730 CCCCCCCCCCCSCC(=O)C1CC1 62a_100000746382_100011215454 [0,0,0,1,0,0|3,0,0]=4 1013 B18R1.49730 CCCCCCCCCCNCOC(=O)C1CC1 2230a_100000684558_100000140896 [0,0,0,1,0,0|2,0,0]=3 1014 B18R1.49730 CCCCCCCCCCNCOC(=O)C1CC1 34a_100000684558_100000140896 [0,0,0,1,0,0|2,0,0]=3 1015 B18R1.49730 CCCCCCCCCCOCOC(=O)C1CC1 34a_100000210711_100000140896 [0,0,0,1,0,0|2,0,0]=3 1016 B18R1.49730 CCCCCCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210320 [0,0,0,1,0,0|2,0,0]=3 1017 B18R1.49730 NCCCCCCCCCOCOC(=O)C1CC1 34a_100000078944_100000140896 [0,0,0,1,0,0|3,0,0]=4 1018 B18R1.49730 O=C(CCCCCCCCCCCCO)C1CC1 1458a_100000210395_100009813331 [0,0,0,1,0,0|3,0,0]=4 1019 B18R1.49730 O=C(CCCCCCCCCCCCO)C1CO1 1458a_100000701028_100009813331 [0,0,0,1,0,0|2,0,0]=3 1020 B18R1.49730 O=C(CCCCCCOCCCCCO)C1CO1 1458a_100000701028_200132310570 [0,0,0,1,0,0|3,0,0]=4 1021 B18R1.49730 O=C(OCNCCCCCCCCCO)C1CC1 2230a_100000078944_100000140896 [0,0,0,1,0,0|3,0,0]=4 1022 B18R1.49730 O=C(OCNCCCCCCCCCO)C1CC1 34a_100000078944_100000140896 [0,0,0,1,0,0|3,0,0]=4 1023 B18R1.49730 O=C(OCOCCCCCCCCCBr)C1CC1 34a_100009813782_100000140896 [0,0,0,1,0,0|3,0,0]=4 1024 B18R1.49730 O=C(OCOCCCCCCCCCCl)C1CC1 34a_100009868337_100000140896 [0,0,0,1,0,0|3,0,0]=4 1025 B18R1.49730 O=C(OCSCCCCCCCCCO)C1CC1 62a_100000140896_100009813782 [0,0,0,1,0,0|3,0,0]=4 1026 B18R1.49730 O=C(OCSCCCCCCCCCO)C1CC1 62a_100009813782_100000140896 [0,0,0,1,0,0|3,0,0]=4 1027 B18R1.52659 C=C(C)C(=O)OCCCCCCNCCC1CC1 34a_100000764129_200010402237 [0,0,0,1,0,0|2,0,1]=4 1028 B18R1.52659 C=C(C)C(=O)OCCCCCCOCCC1CC1 34a_100000754188_200010402237 [0,0,0,1,0,0|2,0,1]=4 1029 B18R1.52659 C=C(C)C(=O)OCCCCCCOCCC1CC1 7a_100000754188_200010402237 [0,0,0,1,0,0|2,0,1]=4 1030 B18R1.52659 C=C(C)C(=O)OCCCCCCSCCC1CC1 62a_100000764125_200010402237 [0,0,0,1,0,0|2,0,1]=4 1031 B18R1.52659 C=C(C)C(=O)OCCCCCCSCCC1CC1 62a_200010402237_100000764125 [0,0,0,1,0,0|2,0,1]=4 1032 B18R1.52682 C=C(C)C(=O)OCCCOCC1CCCCCC1 7a_100000032641_200000696569 [0,0,0,1,0,0|2,0,1]=4 1033 B18R1.52682 C=C(C)C(=O)OCCNCCC1CCCCCC1 2230a_100011532351_100009816335 [0,0,0,1,0,0|2,0,1]=4 1034 B18R1.52682 C=C(C)C(=O)OCCNCCC1CCCCCC1 34a_100011532351_100009816335 [0,0,0,1,0,0|2,0,1]=4 1035 B18R1.52728 C=C(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000185857 [0,0,0,1,0,0|2,0,1]=4 1036 B18R1.52728 C=C(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000185857 [0,0,0,1,0,0|2,0,1]=4 1037 B18R1.52728 CC(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000210198 [0,0,0,1,0,0|2,0,0]=3 1038 B18R1.52728 CC(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000210198 [0,0,0,1,0,0|2,0,0]=3 1039 B18R1.52728 CC(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000210198 [0,0,0,1,0,0|2,0,0]=3 1040 B18R1.52728 CC(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000210198 [0,0,0,1,0,0|2,0,0]=3 1041 B18R1.52728 CC(F)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000062450 [0,0,0,1,0,0|2,0,0]=3 1042 B18R1.52728 CC(F)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000062450 [0,0,0,1,0,0|2,0,0]=3 1043 B18R1.52728 CC(F)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000062450 [0,0,0,1,0,0|2,0,0]=3 1044 B18R1.52728 CC(F)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000062450 [0,0,0,1,0,0|2,0,0]=3 1045 B18R1.52728 CN(C)C(=O)NC1CCCCCCCCCCC1 2708a_100011194316_100102631434 [0,0,0,1,0,0|3,0,0]=4 1046 B18R1.52728 C[C@@H](O)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000717761 [0,0,0,1,0,0|1,0,0]=2 1047 B18R1.52728 C[C@H](O)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_217856618621 [0,0,0,1,0,0|1,0,0]=2 1048 B18R1.52728 C[C@H](O)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_217856618621 [0,0,0,1,0,0|1,0,0]=2 1049 B18R1.52728 O=C(NC1CCCCCCCCCCC1)C(F)F 11a_100011194316_100000210393 [0,0,0,1,0,0|3,0,0]=4 1050 B18R1.52728 O=C(NC1CCCCCCCCCCC1)C(F)F 1626a_100011194316_100000210393 [0,0,0,1,0,0|3,0,0]=4 1051 B18R1.52728 O=C(NC1CCCCCCCCCCC1)C(F)F 240690a_100011194316_100000210393 [0,0,0,1,0,0|3,0,0]=4 1052 B18R1.52728 O=C(NC1CCCCCCCCCCC1)C(F)F 527a_100011194316_100000210393 [0,0,0,1,0,0|3,0,0]=4 1053 B18R1.52728 O=C(NC1CCCCCCCCCCC1)C(O)O 240690a_100011194316_100000233687 [0,0,0,1,0,0|2,0,0]=3 1054 B18R1.52811 C=C(C)C(=O)OCCCCCCNCC1CCC1 2230a_100000738700_200010402237 [0,0,0,1,0,0|2,0,1]=4 1055 B18R1.52811 C=C(C)C(=O)OCCCCCCNCC1CCC1 34a_100000738700_200010402237 [0,0,0,1,0,0|2,0,1]=4 1056 B18R1.52811 C=C(C)C(=O)OCCCCCCOCC1CCC1 34a_100000760304_200010402237 [0,0,0,1,0,0|2,0,1]=4 1057 B18R1.52811 C=C(C)C(=O)OCCCCCCSCC1CCC1 62a_100000763275_200010402237 [0,0,0,1,0,0|2,0,1]=4 1058 B18R1.52811 C=C(C)C(=O)OCCCCCCSCC1CCC1 62a_200010402237_100000763275 [0,0,0,1,0,0|2,0,1]=4 1059 B18R1.52838 C=C(C)C(=O)OCCOCC1CCCCCCC1 34a_100011216312_100009816335 [0,0,0,1,0,0|2,0,1]=4 1060 B18R1.52838 C=C(C)C(=O)OCCOCC1CCCCCCC1 7a_100011216312_100009816335 [0,0,0,1,0,0|2,0,1]=4 1061 B18R1.177008 CC(C)C(=O)NCCNC1CCCCCCCC1 270004a_100000752568_100000038600 [0,0,0,1,0,0|3,0,0]=4 1062 B18R1.180547 CCCCCCCCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011215052 [0,0,0,1,0,0|2,0,1]=4 1063 B18R1.180547 CCCCCCCCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000759014 [0,0,0,1,0,0|2,0,1]=4 1064 B18R1.180547 CCCCCCCCCCCCN1C[C@@H]([C@@H]1C)O 270004a_206633788156_100011218549 [0,0,0,1,0,0|2,0,1]=4 1065 B18R0.220 C=CCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_102130925996 [0,0,0,0,0,1|1,0,2]=4 1066 B18R0.220 CC(C)CC(=O)CCCCCCCCCCCCO 1458a_100000210554_100009813331 [0,0,0,0,0,1|3,0,0]=4 1067 B18R0.220 CC(C)NC(=O)CCCCCCCCCCCCO 240690a_100138425928_100102582631 [0,0,0,0,0,1|3,0,0]=4 1068 B18R0.220 CC(C)OC(=O)OCSCCCCCCCCCO 62a_100000003507_100009813782 [0,0,0,0,0,1|3,0,0]=4 1069 B18R0.220 CC(C)OC(=O)OCSCCCCCCCCCO 62a_100009813782_100000003507 [0,0,0,0,0,1|3,0,0]=4 1070 B18R0.220 CCCCCCCCCCCCCC(=O)CC(C)O 1458a_100000756256_100011218427 [0,0,0,0,0,1|1,0,0]=2 1071 B18R0.220 CCCCCCCCCCCCCC(=O)CC(F)F 1458a_100000756256_100011934356 [0,0,0,0,0,1|3,0,0]=4 1072 B18R0.220 CCCCCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210684 [0,0,0,0,0,1|3,0,0]=4 1073 B18R0.220 CCCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210684 [0,0,0,0,0,1|1,0,0]=2 1074 B18R0.220 CCCCCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210684 [0,0,0,0,0,1|3,0,0]=4 1075 B18R0.220 CCCCCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000756256 [0,0,0,0,0,1|2,0,0]=3 1076 B18R0.220 CCCCCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000756256 [0,0,0,0,0,1|2,0,0]=3 1077 B18R0.220 CCCCCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000756256 [0,0,0,0,0,1|2,0,0]=3 1078 B18R0.220 CCCCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210684 [0,0,0,0,0,1|3,0,0]=4 1079 B18R0.220 CCCCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210684 [0,0,0,0,0,1|3,0,0]=4 1080 B18R0.220 CCCCCCCCCCCCCN(C)CC(C)O 270004a_100000227577_200011215488 [0,0,0,0,0,1|3,0,0]=4 1081 B18R0.220 CCCCCCCCCCCCNC(=O)C=C(C)C 11a_100000210451_100000211388 [0,0,0,0,0,1|2,0,1]=4 1082 B18R0.220 CCCCCCCCCCCCNC(=O)C=C(C)C 1626a_100000210451_100000211388 [0,0,0,0,0,1|2,0,1]=4 1083 B18R0.220 CCCCCCCCCCCCNC(=O)C=C(C)C 240690a_100000210451_100000211388 [0,0,0,0,0,1|2,0,1]=4 1084 B18R0.220 CCCCCCCCCCCCNC(=O)C=C(C)Cl 11a_100000210451_200042562850 [0,0,0,0,0,1|2,0,1]=4 1085 B18R0.220 CCCCCCCCCCCCNC(=O)C=C(C)Cl 1626a_100000210451_200042562850 [0,0,0,0,0,1|2,0,1]=4 1086 B18R0.220 CCCCCCCCCCCCNC(=O)C=C(C)Cl 240690a_100000210451_200042562850 [0,0,0,0,0,1|2,0,1]=4 1087 B18R0.220 CCCCCCCCCCCCNC(=O)C=C(C)I 11a_100000210451_100025716642 [0,0,0,0,0,1|2,0,1]=4 1088 B18R0.220 CCCCCCCCCCCCNC(=O)C=C(C)I 1626a_100000210451_100025716642 [0,0,0,0,0,1|2,0,1]=4 1089 B18R0.220 CCCCCCCCCCCCNC(=O)CC(C)C 11a_100000210451_100000210554 [0,0,0,0,0,1|2,0,0]=3 1090 B18R0.220 CCCCCCCCCCCCNC(=O)CC(C)C 1626a_100000210451_100000210554 [0,0,0,0,0,1|2,0,0]=3 1091 B18R0.220 CCCCCCCCCCCCNC(=O)CC(C)C 240690a_100000210451_100000210554 [0,0,0,0,0,1|2,0,0]=3 1092 B18R0.220 CCCCCCCCCCCCNC(=O)CC(C)C 527a_100000210451_100000210554 [0,0,0,0,0,1|2,0,0]=3 1093 B18R0.220 CCCCCCCCCCCCNC(=O)CN(C)C 11a_100000210451_100000750896 [0,0,0,0,0,1|3,0,0]=4 1094 B18R0.220 CCCCCCCCCCCCNC(=O)CN(C)C 240690a_100000210451_100000750896 [0,0,0,0,0,1|3,0,0]=4 1095 B18R0.220 CCCCCCCCCCCCNC(=O)CN(C)C 527a_100000210451_100000750896 [0,0,0,0,0,1|3,0,0]=4 1096 B18R0.220 CCCCCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000210451_100011933948 [0,0,0,0,0,1|1,0,0]=2 1097 B18R0.220 CCCCCCCCCCCCNC(=O)C[S+](C)C 11a_100000210451_200159257847 [0,0,0,0,0,1|3,0,0]=4 1098 B18R0.220 CCCCCCCCCCCCNC(=O)C[S+](C)C 1626a_100000210451_200159257847 [0,0,0,0,0,1|3,0,0]=4 1099 B18R0.220 CCCCCCCCCCCCNC(=O)C[S+](C)C 240690a_100000210451_200159257847 [0,0,0,0,0,1|3,0,0]=4 1100 B18R0.220 CCCCCCCCCCCCNC(=O)C[S+](C)C 527a_100000210451_200159257847 [0,0,0,0,0,1|3,0,0]=4 1101 B18R0.220 CCCCCCCCCCCCNC(=O)NC(C)C 2708a_100000210451_100138425928 [0,0,0,0,0,1|2,0,0]=3 1102 B18R0.220 CCCCCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210451 [0,0,0,0,0,1|2,0,0]=3 1103 B18R0.220 CCCCCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210451 [0,0,0,0,0,1|2,0,0]=3 1104 B18R0.220 CCCCCCCCCCCCNC(=O)NC(C)C 512a_100000210451_100138425928 [0,0,0,0,0,1|2,0,0]=3 1105 B18R0.220 CCCCCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000210451 [0,0,0,0,0,1|2,0,0]=3 1106 B18R0.220 CCCCCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100011215454 [0,0,0,0,0,1|3,0,0]=4 1107 B18R0.220 CCCCCCCCCCCNCC(=O)NC(C)C 2230a_200011215754_100000183996 [0,0,0,0,0,1|3,0,0]=4 1108 B18R0.220 CCCCCCCCCCCNCC(=O)NC(C)C 34a_200011215754_100000183996 [0,0,0,0,0,1|3,0,0]=4 1109 B18R0.220 CCCCCCCCCCCNCC(=O)OC(C)C 2230a_200011215754_100011215430 [0,0,0,0,0,1|3,0,0]=4 1110 B18R0.220 CCCCCCCCCCCNCC(=O)OC(C)C 34a_200011215754_100011215430 [0,0,0,0,0,1|3,0,0]=4 1111 B18R0.220 CCCCCCCCCCCOCC(=O)NC(C)C 34a_100000210809_100000183996 [0,0,0,0,0,1|3,0,0]=4 1112 B18R0.220 CCCCCCCCCCCOCC(=O)NC(C)C 7a_100000210809_100000183996 [0,0,0,0,0,1|3,0,0]=4 1113 B18R0.220 CCCCCCCCCCCOCC(=O)OC(C)C 34a_100000210809_100011215430 [0,0,0,0,0,1|3,0,0]=4 1114 B18R0.220 CCCCCCCCCCCOCC(=O)OC(C)C 7a_100000210809_100011215430 [0,0,0,0,0,1|3,0,0]=4 1115 B18R0.220 CCCCCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100011215454 [0,0,0,0,0,1|3,0,0]=4 1116 B18R0.220 CCCCCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100011215454 [0,0,0,0,0,1|3,0,0]=4 1117 B18R0.220 CCCCCCCCCCNCCC(=O)NC(C)C 2230a_100000684558_100000737564 [0,0,0,0,0,1|3,0,0]=4 1118 B18R0.220 CCCCCCCCCCNCCC(=O)OC(C)C 2230a_100000684558_100000760027 [0,0,0,0,0,1|3,0,0]=4 1119 B18R0.220 CCCCCCCCCCOCCC(=O)NC(C)C 7a_100000210711_100000737564 [0,0,0,0,0,1|3,0,0]=4 1120 B18R0.220 CCCCCCCCCCOCCC(=O)OC(C)C 7a_100000210711_100000760027 [0,0,0,0,0,1|3,0,0]=4 1121 B18R0.220 CCCCCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210320 [0,0,0,0,0,1|3,0,0]=4 1122 B18R0.220 CCCCCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210320 [0,0,0,0,0,1|3,0,0]=4 1123 B18R0.220 CCCCCCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210320 [0,0,0,0,0,1|2,0,0]=3 1124 B18R0.220 CCCCCCCCCNCCOC(=O)CC(=O)C 34a_100000212291_100000102702 [0,0,0,0,0,1|1,0,2]=4 1125 B18R0.220 CCCCCCCCCOCCOC(=O)CC(=O)C 34a_100000210712_100000102702 [0,0,0,0,0,1|1,0,2]=4 1126 B18R0.220 CCCCCCCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210670 [0,0,0,0,0,1|1,0,2]=4 1127 B18R0.220 CCCCCCCNCCCCCC(=O)OC(C)C 2230a_100000229938_200010986244 [0,0,0,0,0,1|3,0,0]=4 1128 B18R0.220 CCCCCCCOCCCCCC(=O)OC(C)C 34a_100000210272_200010986244 [0,0,0,0,0,1|3,0,0]=4 1129 B18R0.220 CCCCCCCOCCCCCC(=O)OC(C)C 7a_100000210272_200010986244 [0,0,0,0,0,1|3,0,0]=4 1130 B18R0.220 CCCCCCCSCCCCCC(=O)OC(C)C 62a_100000210614_200010986244 [0,0,0,0,0,1|3,0,0]=4 1131 B18R0.220 CCCCCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210316 [0,0,0,0,0,1|3,0,0]=4 1132 B18R0.220 C[C@@H](O)CC(=O)CCCCCCCCCCCCO 1458a_100011933948_100009813331 [0,0,0,0,0,1|2,0,0]=3 1133 B18R0.220 C[C@@H](O)CC(=O)CCCCCCOCCCCCO 1458a_100011933948_200132310570 [0,0,0,0,0,1|3,0,0]=4 1134 B15R0.70 CC/C=C/CCCCCCCCCCOC 34a_200025759790_200000210301 [2,0,0,0,0,0|2,0,0]=4 1135 B15R0.70 CC/C=C/CCCCCCCCCCOC 7a_200025759790_200000210301 [2,0,0,0,0,0|2,0,0]=4 1136 B15R0.70 CC/C=C/CCCCCCCCCCO[13CH3] 34a_200025759790_200025704644 [2,0,0,0,0,0|2,0,0]=4 1137 B15R0.70 CC/C=C/CCCCCCCCCCO[13CH3] 7a_200025759790_200025704644 [2,0,0,0,0,0|2,0,0]=4 1138 B15R0.70 CC/C=C/CCCOCCCCCCCC 34a_100016287902_100000210759 [2,0,0,0,0,0|2,0,0]=4 1139 B15R0.70 CC/C=C/CCCOCCCCCCCC 7a_100016287902_100000210759 [2,0,0,0,0,0|2,0,0]=4 1140 B15R0.70 CC/C=C\CCCCCCCNCCCC 269862a_100000102301_200025770492 [2,0,0,0,0,0|2,0,0]=4 1141 B15R0.70 CC/C=C\CCCCCNCCCCCC 269862a_100000210581_100016288537 [2,0,0,0,0,0|2,0,0]=4 1142 B15R0.70 CC/C=C\CCCCCOCCCCCC 34a_100016268722_100000210314 [2,0,0,0,0,0|2,0,0]=4 1143 B15R0.70 CC/C=C\CCCCCOCCCCCC 7a_100016268722_100000210314 [2,0,0,0,0,0|2,0,0]=4 1144 B15R0.70 CC/C=C\CCCCOCCCCCCC 34a_100016287862_100000210614 [2,0,0,0,0,0|2,0,0]=4 1145 B15R0.70 CC/C=C\CCCCOCCCCCCC 7a_100016287862_100000210614 [2,0,0,0,0,0|2,0,0]=4 1146 B15R0.70 CC/C=C\CCNCCCCCCCCC 2230a_100000212291_100015370543 [2,0,0,0,0,0|2,0,0]=4 1147 B15R0.70 CC/C=C\CCNCCCCCCCCC 34a_100000212291_100015370543 [2,0,0,0,0,0|2,0,0]=4 1148 B15R0.70 CC/C=C\CCOCCCCCCCCC 34a_100000210712_100015370543 [2,0,0,0,0,0|2,0,0]=4 1149 B15R0.70 CC/C=C\CCOCCCCCCCCC 34a_100016288707_100011214924 [2,0,0,0,0,0|2,0,0]=4 1150 B15R0.70 CC/C=C\CCOCCCCCCCCC 7a_100000210712_100015370543 [2,0,0,0,0,0|2,0,0]=4 1151 B15R0.70 CC/C=C\CCOCCCCCCCCC 7a_100016288707_100000210328 [2,0,0,0,0,0|2,0,0]=4 1152 B15R0.70 CC/C=C\CCSCCCCCCCCC 62a_100015370543_100000210670 [2,0,0,0,0,0|2,0,0]=4 1153 B15R0.70 CC/C=C\CNCCCCCCCCCC 2230a_100000684558_100103147603 [2,0,0,0,0,0|2,0,0]=4 1154 B15R0.70 CC/C=C\CNCCCCCCCCCC 34a_100000684558_100103147603 [2,0,0,0,0,0|2,0,0]=4 1155 B15R0.70 CC/C=C\COCCCCCCCCCC 34a_100000210711_100103147603 [2,0,0,0,0,0|2,0,0]=4 1156 B15R0.70 CC/C=C\COCCCCCCCCCC 34a_100016268518_100000210320 [2,0,0,0,0,0|2,0,0]=4 1157 B15R0.70 CC/C=C\COCCCCCCCCCC 7a_100000210711_100103147603 [2,0,0,0,0,0|2,0,0]=4 1158 B15R0.70 CC/C=C\CSCCCCCCCCCC 62a_100103147603_100000210320 [2,0,0,0,0,0|2,0,0]=4 1159 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100011215765_100000210202 [2,0,0,0,0,0|2,0,0]=4 1160 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100015525214_100000210684 [2,0,0,0,0,0|2,0,0]=4 1161 B15R0.70 CCCCCCCCCCCCCNCC 270004a_100015525214_200011215488 [2,0,0,0,0,0|2,0,0]=4 1162 B15R0.70 CCCCCCCCCCCCCNCC 34a_100011215765_100000210202 [2,0,0,0,0,0|2,0,0]=4 1163 B15R0.70 CCCCCCCCCCCCCOCC 34a_100000185773_100000210202 [2,0,0,0,0,0|2,0,0]=4 1164 B15R0.70 CCCCCCCCCCCCCOCC 34a_100121572206_100000210684 [2,0,0,0,0,0|2,0,0]=4 1165 B15R0.70 CCCCCCCCCCCCCOCC 7a_100000185773_100000210202 [2,0,0,0,0,0|2,0,0]=4 1166 B15R0.70 CCCCCCCCCCCCNCCC 2230a_100000210451_100000210303 [2,0,0,0,0,0|1,0,1]=4 1167 B15R0.70 CCCCCCCCCCCCNCCC 270004a_100020643023_100011218549 [2,0,0,0,0,0|1,0,1]=4 1168 B15R0.70 CCCCCCCCCCCCNCCC 34a_100000210451_100000210303 [2,0,0,0,0,0|1,0,1]=4 1169 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100000210451_100000211926 [2,0,0,0,0,0|1,0,1]=4 1170 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100016997473_100011215052 [2,0,0,0,0,0|1,0,1]=4 1171 B15R0.70 CCCCCCCCCCCCNCCO 270004a_100000210304_100011218549 [2,0,0,0,0,0|1,0,1]=4 1172 B15R0.70 CCCCCCCCCCCCNCCO 34a_100000210451_100000211926 [2,0,0,0,0,0|1,0,1]=4 1173 B15R0.70 CCCCCCCCCCCCNCCO 34a_100016990907_100000759014 [2,0,0,0,0,0|1,0,1]=4 1174 B15R0.70 CCCCCCCCCCCCOCCBr 34a_100000211926_100000759014 [2,0,0,0,0,0|1,0,1]=4 1175 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210258_100000759014 [2,0,0,0,0,0|0,0,1]=3 1176 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210810_100000210303 [2,0,0,0,0,0|0,0,1]=3 1177 B15R0.70 CCCCCCCCCCCCOCCC 7a_100000210810_100000210303 [2,0,0,0,0,0|0,0,1]=3 1178 B15R0.70 CCCCCCCCCCCCOCCF 34a_100000210810_100011217306 [2,0,0,0,0,0|1,0,1]=4 1179 B15R0.70 CCCCCCCCCCCCOCCF 7a_100000210810_100011217306 [2,0,0,0,0,0|1,0,1]=4 1180 B15R0.70 CCCCCCCCCCCCOCCN 34a_100000210304_100000759014 [2,0,0,0,0,0|1,0,1]=4 1181 B15R0.70 CCCCCCCCCCCCOCCO 34a_100000210810_100000211926 [2,0,0,0,0,0|0,0,1]=3 1182 B15R0.70 CCCCCCCCCCCCOCCO 7a_100000210810_100000211926 [2,0,0,0,0,0|0,0,1]=3 1183 B15R0.70 CCCCCCCCCCCCOCSC 34a_100000210810_100011218213 [2,0,0,0,0,0|1,0,1]=4 1184 B15R0.70 CCCCCCCCCCCCSCCO 62a_100000211926_100000759014 [2,0,0,0,0,0|0,1,1]=4 1185 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100000212291_100011215938 [2,0,0,0,0,0|1,0,1]=4 1186 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100161115042_100011214924 [2,0,0,0,0,0|1,0,1]=4 1187 B15R0.70 CCCCCCCCCNCCOCCC 34a_100000212291_100011215938 [2,0,0,0,0,0|1,0,1]=4 1188 B15R0.70 CCCCCCCCCNCCOCCC 34a_100161115042_100011214924 [2,0,0,0,0,0|1,0,1]=4 1189 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000211614_100011214924 [2,0,0,0,0,0|1,0,1]=4 1190 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000212291_100011215305 [2,0,0,0,0,0|1,0,1]=4 1191 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000211614_100011214924 [2,0,0,0,0,0|1,0,1]=4 1192 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000212291_100000692535 [2,0,0,0,0,0|1,0,1]=4 1193 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000210712_100011215938 [2,0,0,0,0,0|1,0,1]=4 1194 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000752267_100011214924 [2,0,0,0,0,0|1,0,1]=4 1195 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000210712_100011215938 [2,0,0,0,0,0|1,0,1]=4 1196 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000752267_100000210328 [2,0,0,0,0,0|1,0,1]=4 1197 B15R0.70 CCCCCCCCCOCCOCCO 34a_100000210712_100000692535 [2,0,0,0,0,0|1,0,1]=4 1198 B15R0.70 CCCCCCCCCOCCOCCO 7a_100000210712_100011215305 [2,0,0,0,0,0|1,0,1]=4 1199 B15R0.70 CCCCCCCCCSCCOCCC 62a_100011215938_100000210670 [2,0,0,0,0,0|1,0,1]=4 1200 B15R0.70 CCCCCCCCCSCCOCCO 62a_100011215305_100000210670 [2,0,0,0,0,0|1,0,1]=4 1201 B15R0.70 CCCCCCCCNCCCOCCC 2230a_100011217757_100000210759 [2,0,0,0,0,0|1,0,1]=4 1202 B15R0.70 CCCCCCCCNCCCOCCC 34a_100011217757_100000210759 [2,0,0,0,0,0|1,0,1]=4 1203 B15R0.70 CCCOCCCCCCCCCCCBr 34a_100009812471_100000210303 [2,0,0,0,0,0|1,0,1]=4 1204 B15R0.70 CCCOCCCCCCCCCCCBr 7a_100009812471_100000210303 [2,0,0,0,0,0|1,0,1]=4 1205 B15R0.70 CCCOCCCCCCCCCCCO 34a_100000210258_100009812471 [2,0,0,0,0,0|1,0,1]=4 1206 B15R0.70 CCCOCCCCCCCCCOCC 34a_100009875440_100000210303 [2,0,0,0,0,0|1,0,1]=4 1207 B15R0.70 CCCOCCCCCCCCCOCC 7a_100009875440_100000210303 [2,0,0,0,0,0|1,0,1]=4 1208 B15R0.70 CCOCCCCCCCCCOCCO 34a_100009875440_100000211926 [2,0,0,0,0,0|1,0,1]=4 1209 B15R0.70 CCOCCCCCCCCCOCCO 7a_100009875440_100000211926 [2,0,0,0,0,0|1,0,1]=4 1210 B15R0.70 OCCOCCCCCCCCCCCBr 34a_100009812471_100000211926 [2,0,0,0,0,0|1,0,1]=4 1211 B15R0.70 OCCOCCCCCCCCCCCBr 7a_100009812471_100000211926 [2,0,0,0,0,0|1,0,1]=4 1212 B15R0.81 C#CC(=O)CCCCCCCCCCCC 1458a_100000211873_100000759014 [2,0,0,0,0,0|0,0,2]=4 1213 B15R0.81 C=CC(=O)CCCCCCCCCCCC 1458a_100000185746_100000759014 [2,0,0,0,0,0|0,0,2]=4 1214 B15R0.81 C=CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011093070 [2,0,0,0,0,0|0,0,2]=4 1215 B15R0.81 C=CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011093070 [2,0,0,0,0,0|0,0,2]=4 1216 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [2,0,0,0,0,0|1,0,0]=3 1217 B15R0.81 CCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747405 [2,0,0,0,0,0|2,0,0]=4 1218 B15R0.81 CCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747405 [2,0,0,0,0,0|2,0,0]=4 1219 B15R0.81 CCC(=O)COCCCCCCCCCO 34a_100000725409_100009813782 [2,0,0,0,0,0|2,0,0]=4 1220 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100000747405_100009813782 [2,0,0,0,0,0|2,0,0]=4 1221 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747405 [2,0,0,0,0,0|2,0,0]=4 1222 B15R0.81 CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210414 [2,0,0,0,0,0|2,0,0]=4 1223 B15R0.81 CCC(=O)OCCOCCCCCCCO 7a_200000031056_100000760002 [2,0,0,0,0,0|2,0,0]=4 1224 B15R0.81 CCC(=O)OCCOCCCCCCOC 7a_200000031056_100011998445 [2,0,0,0,0,0|2,0,0]=4 1225 B15R0.81 CCCCC#CCCCCCCC(=O)CC 1458a_100000210414_200000043322 [2,0,0,0,0,0|0,0,2]=4 1226 B15R0.81 CCCCC#CCCCCCCC(=O)CO 1458a_100000210174_200000043322 [2,0,0,0,0,0|0,0,2]=4 1227 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100000210414_100000759014 [2,0,0,0,0,0|0,0,0]=2 1228 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100011215791_100000210202 [2,0,0,0,0,0|0,0,0]=2 1229 B15R0.81 CCCCCCCCCCCCC(=O)CF 1458a_100011215791_100015361967 [2,0,0,0,0,0|1,0,0]=3 1230 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [2,0,0,0,0,0|0,0,0]=2 1231 B15R0.81 CCCCCCCCCCCCC(=O)NC 11a_106832991635_100011215791 [2,0,0,0,0,0|1,0,0]=3 1232 B15R0.81 CCCCCCCCCCCCC(=O)NC 1626a_100102657272_100011215791 [2,0,0,0,0,0|1,0,0]=3 1233 B15R0.81 CCCCCCCCCCCCC(=O)NC 240690a_100102657272_100011215791 [2,0,0,0,0,0|1,0,0]=3 1234 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000225621_100011215052 [2,0,0,0,0,0|2,0,0]=4 1235 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000227908_100000210202 [2,0,0,0,0,0|2,0,0]=4 1236 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000225621_100000759014 [2,0,0,0,0,0|2,0,0]=4 1237 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000227908_100000204670 [2,0,0,0,0,0|2,0,0]=4 1238 B15R0.81 CCCCCCCCCCCNC(=O)CC 11a_200011215754_100000210414 [2,0,0,0,0,0|1,0,0]=3 1239 B15R0.81 CCCCCCCCCCCNC(=O)CC 1626a_200011215754_100000210414 [2,0,0,0,0,0|1,0,0]=3 1240 B15R0.81 CCCCCCCCCCCNC(=O)CC 240690a_200011215754_100000210414 [2,0,0,0,0,0|1,0,0]=3 1241 B15R0.81 CCCCCCCCCCCNC(=O)CC 527a_200011215754_100000210414 [2,0,0,0,0,0|1,0,0]=3 1242 B15R0.81 CCCCCCCCCCCNC(=O)CO 240690a_200011215754_100000210174 [2,0,0,0,0,0|1,0,0]=3 1243 B15R0.81 CCCCCCCCCCCNC(=O)CO 527a_200011215754_100000210174 [2,0,0,0,0,0|1,0,0]=3 1244 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_100102657272_200011215754 [2,0,0,0,0,0|2,0,0]=4 1245 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_200011215754_106832991635 [2,0,0,0,0,0|2,0,0]=4 1246 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_100102657272_200011215754 [2,0,0,0,0,0|2,0,0]=4 1247 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_200011215754_100102657272 [2,0,0,0,0,0|2,0,0]=4 1248 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_106832991638_200011215754 [2,0,0,0,0,0|2,0,0]=4 1249 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_200011215754_100102657272 [2,0,0,0,0,0|2,0,0]=4 1250 B15R0.81 CCCCCCCCCCCOC(C)CC 34a_100000210809_100011215416 [2,0,0,0,0,0|1,0,1]=4 1251 B15R0.81 CCCCCCCCCCCOC(C)CC 7a_100000210228_100011215454 [2,0,0,0,0,0|1,0,1]=4 1252 B15R0.81 CCCCCCCCCCCOC(C)CC 7a_100000210809_100000758301 [2,0,0,0,0,0|1,0,1]=4 1253 B15R0.81 CCCCCCCCCCCOC(C)CO 34a_100000210809_100012180447 [2,0,0,0,0,0|1,0,1]=4 1254 B15R0.81 CCCCCCCCCCCOC(C)CO 7a_100000210809_100012180447 [2,0,0,0,0,0|1,0,1]=4 1255 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000684558_100000183359 [2,0,0,0,0,0|2,0,0]=4 1256 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210320 [2,0,0,0,0,0|2,0,0]=4 1257 B15R0.81 CCCCCCCCCCNCC(=O)NC 34a_100000684558_100000183359 [2,0,0,0,0,0|2,0,0]=4 1258 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [2,0,0,0,0,0|2,0,0]=4 1259 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [2,0,0,0,0,0|2,0,0]=4 1260 B15R0.81 CCCCCCCCCCOCC(=O)CC 34a_100000725409_100000210320 [2,0,0,0,0,0|1,0,0]=3 1261 B15R0.81 CCCCCCCCCCOCC(=O)CC 7a_100000210711_100000747405 [2,0,0,0,0,0|1,0,0]=3 1262 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000210711_100000183359 [2,0,0,0,0,0|2,0,0]=4 1263 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210320 [2,0,0,0,0,0|2,0,0]=4 1264 B15R0.81 CCCCCCCCCCOCC(=O)NC 7a_100000210711_100000183359 [2,0,0,0,0,0|2,0,0]=4 1265 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [2,0,0,0,0,0|2,0,0]=4 1266 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [2,0,0,0,0,0|2,0,0]=4 1267 B15R0.81 CCCCCCCCCCSCC(=O)CC 62a_100000747405_100000210320 [2,0,0,0,0,0|1,0,0]=3 1268 B15R0.81 CCCCCCCCCCSCC(=O)NC 62a_100000183359_100000210320 [2,0,0,0,0,0|2,0,0]=4 1269 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [2,0,0,0,0,0|2,0,0]=4 1270 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000212291_100000737683 [2,0,0,0,0,0|2,0,0]=4 1271 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011214924 [2,0,0,0,0,0|2,0,0]=4 1272 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000212291_100012179268 [2,0,0,0,0,0|2,0,0]=4 1273 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000738227_100011214924 [2,0,0,0,0,0|2,0,0]=4 1274 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [2,0,0,0,0,0|2,0,0]=4 1275 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [2,0,0,0,0,0|2,0,0]=4 1276 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000210712_100012179268 [2,0,0,0,0,0|2,0,0]=4 1277 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000754576_100011214924 [2,0,0,0,0,0|2,0,0]=4 1278 B15R0.81 CCCCCCCCCOCCC(=O)NC 7a_100000210712_100000737683 [2,0,0,0,0,0|2,0,0]=4 1279 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [2,0,0,0,0,0|2,0,0]=4 1280 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [2,0,0,0,0,0|2,0,0]=4 1281 B15R0.81 CCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210670 [2,0,0,0,0,0|2,0,0]=4 1282 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [2,0,0,0,0,0|2,0,0]=4 1283 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000229939_100000741757 [2,0,0,0,0,0|2,0,0]=4 1284 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210759 [2,0,0,0,0,0|2,0,0]=4 1285 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000229939_100000741757 [2,0,0,0,0,0|2,0,0]=4 1286 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210759 [2,0,0,0,0,0|2,0,0]=4 1287 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [2,0,0,0,0,0|2,0,0]=4 1288 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [2,0,0,0,0,0|2,0,0]=4 1289 B15R0.81 CCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210759 [2,0,0,0,0,0|2,0,0]=4 1290 B15R0.81 CCCCCCCCNCCOC(=O)NC 34a_100000229939_200011997002 [2,0,0,0,0,0|2,0,0]=4 1291 B15R0.81 CCCCCCCCOCCCC(=O)NC 34a_100000210232_100000741757 [2,0,0,0,0,0|2,0,0]=4 1292 B15R0.81 CCCCCCCCOCCCC(=O)NC 7a_100000210232_100000741757 [2,0,0,0,0,0|2,0,0]=4 1293 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [2,0,0,0,0,0|2,0,0]=4 1294 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [2,0,0,0,0,0|2,0,0]=4 1295 B15R0.81 CCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210759 [2,0,0,0,0,0|2,0,0]=4 1296 B15R0.81 CCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210759 [2,0,0,0,0,0|2,0,0]=4 1297 B15R0.81 CCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210759 [2,0,0,0,0,0|1,0,0]=3 1298 B15R0.81 CCCCCCCCOCCOC(=O)NC 34a_100000210232_200011997002 [2,0,0,0,0,0|2,0,0]=4 1299 B15R0.81 CCCCCCCCOCCOC(=O)NC 7a_100000210232_200011997002 [2,0,0,0,0,0|2,0,0]=4 1300 B15R0.81 CCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210759 [2,0,0,0,0,0|2,0,0]=4 1301 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000210759_100000741757 [2,0,0,0,0,0|2,0,0]=4 1302 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210317 [2,0,0,0,0,0|2,0,0]=4 1303 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [2,0,0,0,0,0|2,0,0]=4 1304 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [2,0,0,0,0,0|2,0,0]=4 1305 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_100000210759_200011997002 [2,0,0,0,0,0|2,0,0]=4 1306 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210317 [2,0,0,0,0,0|2,0,0]=4 1307 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [2,0,0,0,0,0|2,0,0]=4 1308 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [2,0,0,0,0,0|2,0,0]=4 1309 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [2,0,0,0,0,0|2,0,0]=4 1310 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [2,0,0,0,0,0|2,0,0]=4 1311 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [2,0,0,0,0,0|2,0,0]=4 1312 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [2,0,0,0,0,0|2,0,0]=4 1313 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [2,0,0,0,0,0|2,0,0]=4 1314 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [2,0,0,0,0,0|2,0,0]=4 1315 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [2,0,0,0,0,0|2,0,0]=4 1316 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [2,0,0,0,0,0|2,0,0]=4 1317 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [2,0,0,0,0,0|2,0,0]=4 1318 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [2,0,0,0,0,0|2,0,0]=4 1319 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [2,0,0,0,0,0|2,0,0]=4 1320 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [2,0,0,0,0,0|2,0,0]=4 1321 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [2,0,0,0,0,0|2,0,0]=4 1322 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [2,0,0,0,0,0|2,0,0]=4 1323 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [2,0,0,0,0,0|2,0,0]=4 1324 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [2,0,0,0,0,0|2,0,0]=4 1325 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [2,0,0,0,0,0|2,0,0]=4 1326 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [2,0,0,0,0,0|2,0,0]=4 1327 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [2,0,0,0,0,0|2,0,0]=4 1328 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [2,0,0,0,0,0|2,0,0]=4 1329 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [2,0,0,0,0,0|2,0,0]=4 1330 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [2,0,0,0,0,0|2,0,0]=4 1331 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [2,0,0,0,0,0|2,0,0]=4 1332 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [2,0,0,0,0,0|2,0,0]=4 1333 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [2,0,0,0,0,0|2,0,0]=4 1334 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [2,0,0,0,0,0|2,0,0]=4 1335 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [2,0,0,0,0,0|2,0,0]=4 1336 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [2,0,0,0,0,0|2,0,0]=4 1337 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [2,0,0,0,0,0|2,0,0]=4 1338 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [2,0,0,0,0,0|2,0,0]=4 1339 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [2,0,0,0,0,0|2,0,0]=4 1340 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [2,0,0,0,0,0|2,0,0]=4 1341 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [2,0,0,0,0,0|2,0,0]=4 1342 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [2,0,0,0,0,0|2,0,0]=4 1343 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [2,0,0,0,0,0|2,0,0]=4 1344 B15R0.81 CNC(=O)CCCCCCCCCCCO 240690a_100102657272_100000037981 [2,0,0,0,0,0|2,0,0]=4 1345 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [2,0,0,0,0,0|2,0,0]=4 1346 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [2,0,0,0,0,0|2,0,0]=4 1347 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [2,0,0,0,0,0|2,0,0]=4 1348 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [2,0,0,0,0,0|2,0,0]=4 1349 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [2,0,0,0,0,0|2,0,0]=4 1350 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [2,0,0,0,0,0|2,0,0]=4 1351 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [2,0,0,0,0,0|2,0,0]=4 1352 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [2,0,0,0,0,0|2,0,0]=4 1353 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [2,0,0,0,0,0|2,0,0]=4 1354 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [2,0,0,0,0,0|2,0,0]=4 1355 B15R0.81 O=C(CO)CCCCCCCCCCCO 1458a_100000210174_100009812471 [2,0,0,0,0,0|1,0,0]=3 1356 B15R0.81 O=C(CO)NCCCCCCCCCCO 240690a_100000066964_100000210174 [2,0,0,0,0,0|2,0,0]=4 1357 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [2,0,0,0,0,0|2,0,0]=4 1358 B15R0.164 CC(=O)OCCCCCNCCCCCO 2230a_100000762737_100009813381 [2,0,0,0,0,0|2,0,0]=4 1359 B15R0.164 CC(=O)OCCCCCNCCCCCO 34a_100000762737_100000033007 [2,0,0,0,0,0|2,0,0]=4 1360 B15R0.164 CC(=O)OCCCCCOCCCCCBr 34a_100000746331_100000033007 [2,0,0,0,0,0|2,0,0]=4 1361 B15R0.164 CC(=O)OCCCCCOCCCCCBr 7a_100000746331_100000033007 [2,0,0,0,0,0|2,0,0]=4 1362 B15R0.164 CC(=O)OCCCCCOCCCCCCl 34a_100000746330_100000033007 [2,0,0,0,0,0|2,0,0]=4 1363 B15R0.164 CC(=O)OCCCCCOCCCCCCl 7a_100000746330_100000033007 [2,0,0,0,0,0|2,0,0]=4 1364 B15R0.164 CC(=O)OCCCCCOCCCCCI 34a_200012148887_100000033007 [2,0,0,0,0,0|2,0,0]=4 1365 B15R0.164 CC(=O)OCCCCCOCCCCCI 7a_200012148887_100000033007 [2,0,0,0,0,0|2,0,0]=4 1366 B15R0.164 CC(=O)OCCCCCOCCCCCN 34a_100000762737_100000033007 [2,0,0,0,0,0|2,0,0]=4 1367 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000033007_100000729378 [2,0,0,0,0,0|2,0,0]=4 1368 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000729378_100000033007 [2,0,0,0,0,0|2,0,0]=4 1369 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000033007_100000746330 [2,0,0,0,0,0|2,0,0]=4 1370 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000746330_100000033007 [2,0,0,0,0,0|2,0,0]=4 1371 B15R0.164 CC(=O)OCCCCNCCCCCCO 34a_100000686447_100000033659 [2,0,0,0,0,0|2,0,0]=4 1372 B15R0.164 CC(=O)OCCCCOCCCCCCBr 34a_100011215345_100000033659 [2,0,0,0,0,0|2,0,0]=4 1373 B15R0.164 CC(=O)OCCCCOCCCCCCBr 7a_100011215345_100000033659 [2,0,0,0,0,0|2,0,0]=4 1374 B15R0.164 CC(=O)OCCCCOCCCCCCCl 34a_100000766143_100000033659 [2,0,0,0,0,0|2,0,0]=4 1375 B15R0.164 CC(=O)OCCCCOCCCCCCCl 7a_100000766143_100000033659 [2,0,0,0,0,0|2,0,0]=4 1376 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000073216_100015922095 [2,0,0,0,0,0|2,0,0]=4 1377 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000732779_100000033659 [2,0,0,0,0,0|2,0,0]=4 1378 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000073216_100015922095 [2,0,0,0,0,0|2,0,0]=4 1379 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000732779_100000033659 [2,0,0,0,0,0|2,0,0]=4 1380 B15R0.164 CC(=O)OCCCCOCCCCCCN 34a_100000686447_100000033659 [2,0,0,0,0,0|2,0,0]=4 1381 B15R0.164 CC(=O)OCCCCOCCCCCCO 34a_100000073216_100000766143 [2,0,0,0,0,0|2,0,0]=4 1382 B15R0.164 CC(=O)OCCCCOCCCCCCO 7a_100000073216_100000766143 [2,0,0,0,0,0|2,0,0]=4 1383 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100000033659_100015922095 [2,0,0,0,0,0|2,0,0]=4 1384 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100015922095_100000033659 [2,0,0,0,0,0|2,0,0]=4 1385 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000033659_100000766143 [2,0,0,0,0,0|2,0,0]=4 1386 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000766143_100000033659 [2,0,0,0,0,0|2,0,0]=4 1387 B15R0.164 CC(=O)OCCCNCCCCCCCO 34a_100011996573_100000042594 [2,0,0,0,0,0|2,0,0]=4 1388 B15R0.164 CC(=O)OCCCOCCCCCCCBr 34a_100000760002_100000042594 [2,0,0,0,0,0|2,0,0]=4 1389 B15R0.164 CC(=O)OCCCOCCCCCCCBr 7a_100000760002_100000042594 [2,0,0,0,0,0|2,0,0]=4 1390 B15R0.164 CC(=O)OCCCOCCCCCCCN 34a_100011996573_100000042594 [2,0,0,0,0,0|2,0,0]=4 1391 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000042594_100000760002 [2,0,0,0,0,0|2,0,0]=4 1392 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000760002_100000042594 [2,0,0,0,0,0|2,0,0]=4 1393 B15R0.164 CC(=O)OCCNCCCCCCCCO 34a_102515433106_100009814007 [2,0,0,0,0,0|2,0,0]=4 1394 B15R0.164 CC(=O)OCCOCCCCCCCCBr 34a_100009813846_100009814007 [2,0,0,0,0,0|2,0,0]=4 1395 B15R0.164 CC(=O)OCCOCCCCCCCCBr 7a_100009813846_100009814007 [2,0,0,0,0,0|2,0,0]=4 1396 B15R0.164 CC(=O)OCCOCCCCCCCCCl 34a_100000033203_100009814007 [2,0,0,0,0,0|2,0,0]=4 1397 B15R0.164 CC(=O)OCCOCCCCCCCCCl 7a_100000033203_100009814007 [2,0,0,0,0,0|2,0,0]=4 1398 B15R0.164 CC(=O)OCCOCCCCCCCCN 34a_102515433106_100009814007 [2,0,0,0,0,0|2,0,0]=4 1399 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100000033203_100009814007 [2,0,0,0,0,0|2,0,0]=4 1400 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100009814007_100000033203 [2,0,0,0,0,0|2,0,0]=4 1401 B15R0.164 CC(=O)OCNCCCCCCCCCO 34a_100000078944_100009813279 [2,0,0,0,0,0|2,0,0]=4 1402 B15R0.164 CC(=O)OCOCCCCCCCCCBr 34a_100009813782_100009813279 [2,0,0,0,0,0|2,0,0]=4 1403 B15R0.164 CC(=O)OCOCCCCCCCCCCl 34a_100009868337_100009813279 [2,0,0,0,0,0|2,0,0]=4 1404 B15R0.164 CC(=O)OCOCCCCCCCCCN 34a_100000078944_100009813279 [2,0,0,0,0,0|2,0,0]=4 1405 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100000076356_100009813782 [2,0,0,0,0,0|2,0,0]=4 1406 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100009813782_100000076356 [2,0,0,0,0,0|2,0,0]=4 1407 B15R0.164 CC(C)OCCCCCCCCCCCBr 34a_100009812471_100000210206 [2,0,0,0,0,0|2,0,0]=4 1408 B15R0.164 CC(C)OCCCCCCCCCCCBr 7a_100009812471_100000210206 [2,0,0,0,0,0|2,0,0]=4 1409 B15R0.164 CC(C)OCCCCCCCCCCCO 34a_100000212225_100009812471 [2,0,0,0,0,0|2,0,0]=4 1410 B15R0.164 CC(O)COCCCCCCCCCCBr 34a_100009813290_100011218427 [2,0,0,0,0,0|1,0,1]=4 1411 B15R0.164 CC(O)COCCCCCCCCCCBr 7a_100009813290_100011218427 [2,0,0,0,0,0|1,0,1]=4 1412 B15R0.164 CC(O)COCCCCCCCCCCCl 34a_200000033068_100011218427 [2,0,0,0,0,0|1,0,1]=4 1413 B15R0.164 CC(O)COCCCCCCCCCCCl 7a_200000033068_100011218427 [2,0,0,0,0,0|1,0,1]=4 1414 B15R0.164 CC(O)COCCCCCCCCCCN 34a_100000066964_100011218427 [2,0,0,0,0,0|1,0,1]=4 1415 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000070787_100000210684 [2,0,0,0,0,0|1,0,0]=3 1416 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000756256_200000210301 [2,0,0,0,0,0|1,0,0]=3 1417 B15R0.164 CCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000756256_200025704644 [2,0,0,0,0,0|1,0,0]=3 1418 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [2,0,0,0,0,0|1,0,0]=3 1419 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [2,0,0,0,0,0|1,0,0]=3 1420 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [2,0,0,0,0,0|1,0,0]=3 1421 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [2,0,0,0,0,0|1,0,0]=3 1422 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100000210451_100000210206 [2,0,0,0,0,0|2,0,0]=4 1423 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215052 [2,0,0,0,0,0|2,0,0]=4 1424 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100000210451_100000210206 [2,0,0,0,0,0|2,0,0]=4 1425 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100138425928_100000759014 [2,0,0,0,0,0|2,0,0]=4 1426 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000210810_100000210206 [2,0,0,0,0,0|1,0,0]=3 1427 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000212225_100000759014 [2,0,0,0,0,0|1,0,0]=3 1428 B15R0.164 CCCCCCCCCCCCOC(C)C 7a_100000210810_100000210206 [2,0,0,0,0,0|1,0,0]=3 1429 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [2,0,0,0,0,0|2,0,0]=4 1430 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [2,0,0,0,0,0|1,0,1]=4 1431 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [2,0,0,0,0,0|1,0,1]=4 1432 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [2,0,0,0,0,0|1,0,1]=4 1433 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [2,0,0,0,0,0|1,0,1]=4 1434 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [2,0,0,0,0,0|1,0,1]=4 1435 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [2,0,0,0,0,0|1,0,1]=4 1436 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [2,0,0,0,0,0|2,0,0]=4 1437 B15R0.164 CCCCCCCCCCCOCC(C)Br 34a_100012180447_100011215454 [2,0,0,0,0,0|1,0,1]=4 1438 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210257_100011215454 [2,0,0,0,0,0|1,0,1]=4 1439 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210809_100000210624 [2,0,0,0,0,0|1,0,1]=4 1440 B15R0.164 CCCCCCCCCCCOCC(C)C 7a_100000210809_100000210760 [2,0,0,0,0,0|1,0,1]=4 1441 B15R0.164 CCCCCCCCCCCOCC(C)F 34a_100015925927_100011215454 [2,0,0,0,0,0|1,0,1]=4 1442 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [2,0,0,0,0,0|0,0,1]=3 1443 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [2,0,0,0,0,0|0,0,1]=3 1444 B15R0.164 CCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215454 [2,0,0,0,0,0|1,0,1]=4 1445 B15R0.164 CCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011215454 [2,0,0,0,0,0|1,0,1]=4 1446 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [2,0,0,0,0,0|0,0,1]=3 1447 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [2,0,0,0,0,0|0,0,1]=3 1448 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [2,0,0,0,0,0|0,1,1]=4 1449 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [2,0,0,0,0,0|0,1,1]=4 1450 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [2,0,0,0,0,0|1,0,1]=4 1451 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [2,0,0,0,0,0|1,0,1]=4 1452 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [2,0,0,0,0,0|1,0,1]=4 1453 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [2,0,0,0,0,0|1,0,0]=3 1454 B15R0.164 CCCCCCCCCCNCOC(C)C 2230a_100000684558_100000709892 [2,0,0,0,0,0|2,0,0]=4 1455 B15R0.164 CCCCCCCCCCNCOC(C)C 34a_100000684558_100000709892 [2,0,0,0,0,0|2,0,0]=4 1456 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [2,0,0,0,0,0|2,0,0]=4 1457 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [2,0,0,0,0,0|2,0,0]=4 1458 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [2,0,0,0,0,0|2,0,0]=4 1459 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [2,0,0,0,0,0|1,0,1]=4 1460 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [2,0,0,0,0,0|1,0,1]=4 1461 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [2,0,0,0,0,0|1,0,0]=3 1462 B15R0.164 CCCCCCCCCCOCOC(C)C 34a_100000210711_100000709892 [2,0,0,0,0,0|2,0,0]=4 1463 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [2,0,0,0,0,0|2,0,0]=4 1464 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [2,0,0,0,0,0|1,0,1]=4 1465 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [2,0,0,0,0,0|1,0,0]=3 1466 B15R0.164 CCCCCCCCCCSCOC(C)C 62a_100000709892_100000210320 [2,0,0,0,0,0|2,0,0]=4 1467 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [2,0,0,0,0,0|2,0,0]=4 1468 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [2,0,0,0,0,0|1,0,1]=4 1469 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [2,0,0,0,0,0|1,0,1]=4 1470 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [2,0,0,0,0,0|2,0,0]=4 1471 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [2,0,0,0,0,0|2,0,0]=4 1472 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [2,0,0,0,0,0|1,0,0]=3 1473 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [2,0,0,0,0,0|2,0,0]=4 1474 B15R0.164 CCCCCCCCCNCCOC(C)C 2230a_100000212291_100000211751 [2,0,0,0,0,0|2,0,0]=4 1475 B15R0.164 CCCCCCCCCNCCOC(C)C 2230a_100000701111_100011214924 [2,0,0,0,0,0|2,0,0]=4 1476 B15R0.164 CCCCCCCCCNCCOC(C)C 34a_100000212291_100000211751 [2,0,0,0,0,0|2,0,0]=4 1477 B15R0.164 CCCCCCCCCNCCOC(C)C 34a_100000701111_100011214924 [2,0,0,0,0,0|2,0,0]=4 1478 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [2,0,0,0,0,0|2,0,0]=4 1479 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [2,0,0,0,0,0|2,0,0]=4 1480 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [2,0,0,0,0,0|2,0,0]=4 1481 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [2,0,0,0,0,0|2,0,0]=4 1482 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [2,0,0,0,0,0|1,0,1]=4 1483 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [2,0,0,0,0,0|1,0,1]=4 1484 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [2,0,0,0,0,0|2,0,0]=4 1485 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [2,0,0,0,0,0|2,0,0]=4 1486 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [2,0,0,0,0,0|1,0,0]=3 1487 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [2,0,0,0,0,0|1,0,0]=3 1488 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [2,0,0,0,0,0|2,0,0]=4 1489 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [2,0,0,0,0,0|2,0,0]=4 1490 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [2,0,0,0,0,0|2,0,0]=4 1491 B15R0.164 CCCCCCCCCOCCOC(C)C 34a_100000210712_100000211751 [2,0,0,0,0,0|2,0,0]=4 1492 B15R0.164 CCCCCCCCCOCCOC(C)C 34a_100000211219_100011214924 [2,0,0,0,0,0|2,0,0]=4 1493 B15R0.164 CCCCCCCCCOCCOC(C)C 7a_100000210712_100000211751 [2,0,0,0,0,0|2,0,0]=4 1494 B15R0.164 CCCCCCCCCOCCOC(C)C 7a_100000211219_100000210328 [2,0,0,0,0,0|2,0,0]=4 1495 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [2,0,0,0,0,0|2,0,0]=4 1496 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [2,0,0,0,0,0|1,0,1]=4 1497 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [2,0,0,0,0,0|2,0,0]=4 1498 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [2,0,0,0,0,0|1,0,0]=3 1499 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [2,0,0,0,0,0|2,0,0]=4 1500 B15R0.164 CCCCCCCCCSCCOC(C)C 62a_100000211751_100000210670 [2,0,0,0,0,0|2,0,0]=4 1501 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [2,0,0,0,0,0|2,0,0]=4 1502 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [2,0,0,0,0,0|2,0,0]=4 1503 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [2,0,0,0,0,0|1,0,0]=3 1504 B15R0.164 CCCCCCCCNCCCOC(=S)C 2230a_100000229939_200135323944 [2,0,0,0,0,0|1,1,0]=4 1505 B15R0.164 CCCCCCCCNCCCOC(=S)C 34a_100000229939_200135323944 [2,0,0,0,0,0|1,1,0]=4 1506 B15R0.164 CCCCCCCCNCCCOC(C)C 2230a_100000737246_100000210759 [2,0,0,0,0,0|2,0,0]=4 1507 B15R0.164 CCCCCCCCNCCCOC(C)C 34a_100000737246_100000210759 [2,0,0,0,0,0|2,0,0]=4 1508 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [2,0,0,0,0,0|1,1,0]=4 1509 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [2,0,0,0,0,0|1,1,0]=4 1510 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [2,0,0,0,0,0|2,0,0]=4 1511 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [2,0,0,0,0,0|2,0,0]=4 1512 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [2,0,0,0,0,0|2,0,0]=4 1513 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [2,0,0,0,0,0|1,0,0]=3 1514 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [2,0,0,0,0,0|1,0,0]=3 1515 B15R0.164 CCCCCCCCOCCCOC(=S)C 34a_100000210232_200135323944 [2,0,0,0,0,0|1,1,0]=4 1516 B15R0.164 CCCCCCCCOCCCOC(=S)C 7a_100000210232_200135323944 [2,0,0,0,0,0|1,1,0]=4 1517 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [2,0,0,0,0,0|1,1,0]=4 1518 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [2,0,0,0,0,0|1,1,0]=4 1519 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [2,0,0,0,0,0|2,0,0]=4 1520 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [2,0,0,0,0,0|2,0,0]=4 1521 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [2,0,0,0,0,0|1,0,0]=3 1522 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [2,0,0,0,0,0|1,0,0]=3 1523 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_100000210759_200135323944 [2,0,0,0,0,0|1,1,0]=4 1524 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210317 [2,0,0,0,0,0|1,1,0]=4 1525 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [2,0,0,0,0,0|1,1,0]=4 1526 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [2,0,0,0,0,0|1,1,0]=4 1527 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [2,0,0,0,0,0|2,0,0]=4 1528 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [2,0,0,0,0,0|2,0,0]=4 1529 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [2,0,0,0,0,0|1,1,0]=4 1530 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [2,0,0,0,0,0|1,0,0]=3 1531 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [2,0,0,0,0,0|1,0,0]=3 1532 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [2,0,0,0,0,0|1,0,0]=3 1533 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [2,0,0,0,0,0|1,0,0]=3 1534 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [2,0,0,0,0,0|1,1,0]=4 1535 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [2,0,0,0,0,0|1,1,0]=4 1536 B15R0.164 CCCCCCCOCOCCOC(=O)C 34a_100000210272_100000076355 [2,0,0,0,0,0|2,0,0]=4 1537 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [2,0,0,0,0,0|1,0,0]=3 1538 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [2,0,0,0,0,0|1,0,0]=3 1539 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [2,0,0,0,0,0|1,1,0]=4 1540 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [2,0,0,0,0,0|1,1,0]=4 1541 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210316 [2,0,0,0,0,0|2,0,0]=4 1542 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000210614_100000076355 [2,0,0,0,0,0|2,0,0]=4 1543 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [2,0,0,0,0,0|2,0,0]=4 1544 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [2,0,0,0,0,0|2,0,0]=4 1545 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [2,0,0,0,0,0|1,0,0]=3 1546 B15R0.164 CCCCCCNCCOCCOC(=O)C 2230a_100000210581_200000083610 [2,0,0,0,0,0|2,0,0]=4 1547 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [2,0,0,0,0,0|1,0,0]=3 1548 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [2,0,0,0,0,0|1,0,0]=3 1549 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000210259_200000083610 [2,0,0,0,0,0|2,0,0]=4 1550 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000691444_100009814007 [2,0,0,0,0,0|2,0,0]=4 1551 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000210259_200000083610 [2,0,0,0,0,0|2,0,0]=4 1552 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000691444_100009814007 [2,0,0,0,0,0|2,0,0]=4 1553 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [2,0,0,0,0,0|1,0,0]=3 1554 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [2,0,0,0,0,0|1,0,0]=3 1555 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_100000210314_200000083610 [2,0,0,0,0,0|2,0,0]=4 1556 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210757 [2,0,0,0,0,0|2,0,0]=4 1557 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [2,0,0,0,0,0|2,0,0]=4 1558 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [2,0,0,0,0,0|2,0,0]=4 1559 B15R0.164 CCCCCNCCOCCCOC(=O)C 34a_100000224656_100000042594 [2,0,0,0,0,0|2,0,0]=4 1560 B15R0.164 CCCCCOCCOCCCOC(=O)C 34a_100011215259_100000042594 [2,0,0,0,0,0|2,0,0]=4 1561 B15R0.164 CCCCCOCCOCCCOC(=O)C 7a_100011215259_100000042594 [2,0,0,0,0,0|2,0,0]=4 1562 B15R0.164 CCCCNCCCCOCCOC(=O)C 34a_200011216965_100009814007 [2,0,0,0,0,0|2,0,0]=4 1563 B15R0.164 CCCCOCCCCOCCOC(=O)C 34a_200000760531_100009814007 [2,0,0,0,0,0|2,0,0]=4 1564 B15R0.164 CCCCOCCCCOCCOC(=O)C 7a_200000760531_100009814007 [2,0,0,0,0,0|2,0,0]=4 1565 B15R0.164 CCCCOCCCNCCCOC(=O)C 34a_200000211371_100000042594 [2,0,0,0,0,0|2,0,0]=4 1566 B15R0.164 CCCCOCCCOCCCOC(=O)C 34a_200011215613_100000042594 [2,0,0,0,0,0|2,0,0]=4 1567 B15R0.164 CCCCOCCCOCCCOC(=O)C 7a_200011215613_100000042594 [2,0,0,0,0,0|2,0,0]=4 1568 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000073216_100000743108 [2,0,0,0,0,0|2,0,0]=4 1569 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000210238_100000033659 [2,0,0,0,0,0|2,0,0]=4 1570 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000073216_100000743108 [2,0,0,0,0,0|2,0,0]=4 1571 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000210238_100000033659 [2,0,0,0,0,0|2,0,0]=4 1572 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000033659_100000743108 [2,0,0,0,0,0|2,0,0]=4 1573 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000743108_100000033659 [2,0,0,0,0,0|2,0,0]=4 1574 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100000033007_100011995733 [2,0,0,0,0,0|2,0,0]=4 1575 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100011995733_100000033007 [2,0,0,0,0,0|2,0,0]=4 1576 B15R0.164 CCCCSCCOCCCCOC(=O)C 34a_200000230436_100000033659 [2,0,0,0,0,0|2,0,0]=4 1577 B15R0.164 CCCCSCCOCCCCOC(=O)C 7a_200000230436_100000033659 [2,0,0,0,0,0|2,0,0]=4 1578 B15R0.164 CCCOCCCNCCCCOC(=O)C 34a_100011217757_100000033659 [2,0,0,0,0,0|2,0,0]=4 1579 B15R0.164 CCCOCCNCCCCCOC(=O)C 2230a_100161115042_100009813381 [2,0,0,0,0,0|2,0,0]=4 1580 B15R0.164 CCCOCCNCCCCCOC(=O)C 34a_100161115042_100000033007 [2,0,0,0,0,0|2,0,0]=4 1581 B15R0.164 CCCOCCOCCCCCOC(=O)C 34a_100000752267_100000033007 [2,0,0,0,0,0|2,0,0]=4 1582 B15R0.164 CCCOCCOCCCCCOC(=O)C 7a_100000752267_100000033007 [2,0,0,0,0,0|2,0,0]=4 1583 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100000033007_100011215938 [2,0,0,0,0,0|2,0,0]=4 1584 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100011215938_100000033007 [2,0,0,0,0,0|2,0,0]=4 1585 B15R0.164 CCCSCCNCCCCCOC(=O)C 2230a_100020603323_100009813381 [2,0,0,0,0,0|2,0,0]=4 1586 B15R0.164 CCCSCCOCCCCCOC(=O)C 34a_200000230433_100000033007 [2,0,0,0,0,0|2,0,0]=4 1587 B15R0.164 CCCSCCOCCCCCOC(=O)C 7a_200000230433_100000033007 [2,0,0,0,0,0|2,0,0]=4 1588 B15R0.164 CCOCCCCCCCCCOC(C)C 34a_100009875440_100000210206 [2,0,0,0,0,0|2,0,0]=4 1589 B15R0.164 CCOCCCCCCCCCOC(C)C 7a_100009875440_100000210206 [2,0,0,0,0,0|2,0,0]=4 1590 B15R0.164 CCOCCCNCCCCCOC(=O)C 2230a_100000210961_100009813381 [2,0,0,0,0,0|2,0,0]=4 1591 B15R0.164 CCOCCCNCCCCCOC(=O)C 34a_100000210961_100000033007 [2,0,0,0,0,0|2,0,0]=4 1592 B15R0.164 CCOCCCOCCCCCOC(=O)C 34a_100000757476_100000033007 [2,0,0,0,0,0|2,0,0]=4 1593 B15R0.164 CCOCCCOCCCCCOC(=O)C 7a_100000757476_100000033007 [2,0,0,0,0,0|2,0,0]=4 1594 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100000033007_100012232248 [2,0,0,0,0,0|2,0,0]=4 1595 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100012232248_100000033007 [2,0,0,0,0,0|2,0,0]=4 1596 B15R0.164 CCSCCCOCCCCCOC(=O)C 34a_100011216438_100000033007 [2,0,0,0,0,0|2,0,0]=4 1597 B15R0.164 CCSCCCOCCCCCOC(=O)C 7a_100011216438_100000033007 [2,0,0,0,0,0|2,0,0]=4 1598 B15R0.164 CNCCCCCOCCCCOC(=O)C 34a_100000722520_100000033659 [2,0,0,0,0,0|2,0,0]=4 1599 B15R0.164 COCCCCCCOCCCOC(=O)C 34a_200012092642_100000042594 [2,0,0,0,0,0|2,0,0]=4 1600 B15R0.164 COCCCCCCOCCCOC(=O)C 7a_200012092642_100000042594 [2,0,0,0,0,0|2,0,0]=4 1601 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100000042594_100011998445 [2,0,0,0,0,0|2,0,0]=4 1602 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100011998445_100000042594 [2,0,0,0,0,0|2,0,0]=4 1603 B15R0.164 COCCCCCNCCCCOC(=O)C 34a_100000747528_100000033659 [2,0,0,0,0,0|2,0,0]=4 1604 B15R0.164 COCCCCOCCCCCOC(=O)C 34a_100000740925_100000033007 [2,0,0,0,0,0|2,0,0]=4 1605 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000033007_100000730899 [2,0,0,0,0,0|2,0,0]=4 1606 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000730899_100000033007 [2,0,0,0,0,0|2,0,0]=4 1607 B15R0.164 CSCCCCOCCCCCOC(=O)C 34a_100011217163_100000033007 [2,0,0,0,0,0|2,0,0]=4 1608 B15R0.164 CSCCCCOCCCCCOC(=O)C 7a_100011217163_100000033007 [2,0,0,0,0,0|2,0,0]=4 1609 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 34a_100009813290_100009817552 [2,0,0,0,0,0|1,0,1]=4 1610 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 7a_100009813290_100009817552 [2,0,0,0,0,0|1,0,1]=4 1611 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 34a_200000033068_100009817552 [2,0,0,0,0,0|1,0,1]=4 1612 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 7a_200000033068_100009817552 [2,0,0,0,0,0|1,0,1]=4 1613 B15R0.164 C[C@@H](O)COCCCCCCCCCCN 34a_100000066964_100009817552 [2,0,0,0,0,0|1,0,1]=4 1614 B15R0.84 C=C(C)C(=O)CCCCCCCCCCC 1458a_100000185857_100011215454 [2,0,0,0,0,0|1,0,1]=4 1615 B15R0.84 C=CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009814027 [2,0,0,0,0,0|0,0,2]=4 1616 B15R0.84 C=CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009814027 [2,0,0,0,0,0|0,0,2]=4 1617 B15R0.84 CC(C)C(=O)CCCCCCCCCCO 1458a_100000210198_100009813290 [2,0,0,0,0,0|2,0,0]=4 1618 B15R0.84 CC(F)C(=O)CCCCCCCCCCO 1458a_100000062450_100009813290 [2,0,0,0,0,0|2,0,0]=4 1619 B15R0.84 CCCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100011215454 [2,0,0,0,0,0|1,0,0]=3 1620 B15R0.84 CCCCCCCCCCCC(=O)C(C)C 1458a_100000210736_100000210206 [2,0,0,0,0,0|1,0,0]=3 1621 B15R0.84 CCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100011215454 [2,0,0,0,0,0|1,0,0]=3 1622 B15R0.84 CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011215454 [2,0,0,0,0,0|1,0,0]=3 1623 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210736 [2,0,0,0,0,0|2,0,0]=4 1624 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210736 [2,0,0,0,0,0|2,0,0]=4 1625 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210736 [2,0,0,0,0,0|2,0,0]=4 1626 B15R0.84 CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215454 [2,0,0,0,0,0|0,0,0]=2 1627 B15R0.84 CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215454 [2,0,0,0,0,0|0,0,0]=2 1628 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 11a_100000684558_100000210198 [2,0,0,0,0,0|2,0,0]=4 1629 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 1626a_100000684558_100000210198 [2,0,0,0,0,0|2,0,0]=4 1630 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 240690a_100000684558_100000210198 [2,0,0,0,0,0|2,0,0]=4 1631 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 527a_100000684558_100000210198 [2,0,0,0,0,0|2,0,0]=4 1632 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 11a_100000684558_100000062450 [2,0,0,0,0,0|2,0,0]=4 1633 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 1626a_100000684558_100000062450 [2,0,0,0,0,0|2,0,0]=4 1634 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 240690a_100000684558_100000062450 [2,0,0,0,0,0|2,0,0]=4 1635 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 527a_100000684558_100000062450 [2,0,0,0,0,0|2,0,0]=4 1636 B15R0.84 CCCCCCCCCCNC(=O)C(O)O 240690a_100000684558_100000233687 [2,0,0,0,0,0|2,0,0]=4 1637 B15R0.84 CCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000684558_100000717761 [2,0,0,0,0,0|1,0,0]=3 1638 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000684558_217856618621 [2,0,0,0,0,0|1,0,0]=3 1639 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000684558_217856618621 [2,0,0,0,0,0|1,0,0]=3 1640 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 2230a_100000212291_100000753385 [2,0,0,0,0,0|2,0,0]=4 1641 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 34a_100000212291_100000753385 [2,0,0,0,0,0|2,0,0]=4 1642 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 34a_100000210712_100000753385 [2,0,0,0,0,0|2,0,0]=4 1643 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 7a_100000210712_100000753385 [2,0,0,0,0,0|2,0,0]=4 1644 B15R0.84 CCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210670 [2,0,0,0,0,0|2,0,0]=4 1645 B15R0.84 CCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210317 [2,0,0,0,0,0|2,0,0]=4 1646 B15R0.84 CCCCCCCCSCOC(=O)C(C)C 62a_100000210759_100000139345 [2,0,0,0,0,0|2,0,0]=4 1647 B15R0.84 C[C@@H](O)C(=O)CCCCCCCCCCO 1458a_100000717761_100009813290 [2,0,0,0,0,0|1,0,0]=3 1648 B15R0.84 C[C@@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_100000717761 [2,0,0,0,0,0|2,0,0]=4 1649 B15R0.84 C[C@H](O)C(=O)CCCCCCCCCCO 1458a_217856618621_100009813290 [2,0,0,0,0,0|1,0,0]=3 1650 B15R0.84 C[C@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_217856618621 [2,0,0,0,0,0|2,0,0]=4 1651 B15R0.84 O=C(CCCCCCCCCCO)C(O)O 1458a_100000233687_100009813290 [2,0,0,0,0,0|2,0,0]=4 1652 B17R0.97 CCCCCCCCC(C)NCCNC(=O)CC 270004a_100132302217_100011216694 [1,1,0,0,0,0|2,0,0]=4 1653 B17R0.97 CCCCCCCCC(C)OCCOC(=O)NC 34a_100000210740_200011997002 [1,1,0,0,0,0|2,0,0]=4 1654 B17R0.97 CCCCCCCCC(C)OCCOC(=O)NC 7a_100000210740_200011997002 [1,1,0,0,0,0|2,0,0]=4 1655 B17R0.133 CCCCCCC(C)CCOCCOC(=O)NC 34a_200011024964_200011997002 [1,1,0,0,0,0|2,0,0]=4 1656 B17R0.133 CCCCCCC(C)CCOCCOC(=O)NC 7a_200011024964_200011997002 [1,1,0,0,0,0|2,0,0]=4 1657 B17R0.195 C#CCCCCCCCCCCOCC(=O)CC 7a_100000054667_100000747405 [1,1,0,0,0,0|0,0,2]=4 1658 B17R0.195 C=CC(=O)OCCCCCCNCCCCCC 2230a_100000210581_100009894100 [1,1,0,0,0,0|0,0,2]=4 1659 B17R0.195 C=CC(=O)OCCCCCCOCCCCCC 34a_100000210259_100009894100 [1,1,0,0,0,0|0,0,2]=4 1660 B17R0.195 C=CC(=O)OCCCCCCOCCCCCC 7a_100000210259_100009894100 [1,1,0,0,0,0|0,0,2]=4 1661 B17R0.195 C=CC(=O)OCCCCCCSCCCCCC 62a_100000210314_100009894100 [1,1,0,0,0,0|0,0,2]=4 1662 B17R0.195 C=CC(=O)OCCCCCCSCCCCCC 62a_100009894100_100000210757 [1,1,0,0,0,0|0,0,2]=4 1663 B17R0.195 C=CC(=O)OCCCCCOCCCCCCC 7a_200011023508_100000210614 [1,1,0,0,0,0|0,0,2]=4 1664 B17R0.195 C=CC(=O)OCCNCCCCCCCCCC 2230a_100000684558_100009813456 [1,1,0,0,0,0|0,0,2]=4 1665 B17R0.195 C=CC(=O)OCCNCCCCCCCCCC 34a_100000684558_100009813456 [1,1,0,0,0,0|0,0,2]=4 1666 B17R0.195 C=CC(=O)OCCOCCCCCCCCCC 34a_100000210711_100009813456 [1,1,0,0,0,0|0,0,2]=4 1667 B17R0.195 C=CC(=O)OCCOCCCCCCCCCC 7a_100000210711_100009813456 [1,1,0,0,0,0|0,0,2]=4 1668 B17R0.195 C=CC(=O)OCCSCCCCCCCCCC 62a_100009813456_100000210320 [1,1,0,0,0,0|0,0,2]=4 1669 B17R0.195 C=CCCCCCCCCCCOCC(=O)CC 34a_100000725409_100011093070 [1,1,0,0,0,0|0,0,2]=4 1670 B17R0.195 C=CCCCCCCCCOCCOC(=O)CC 7a_200000031056_100011933949 [1,1,0,0,0,0|0,0,2]=4 1671 B17R0.195 CC(CO)OCCCCCCCCCCCCBr 34a_100009813331_100012180447 [1,1,0,0,0,0|1,0,1]=4 1672 B17R0.195 CC(CO)OCCCCCCCCCCCCBr 7a_100009813331_100012180447 [1,1,0,0,0,0|1,0,1]=4 1673 B17R0.195 CC(CO)OCCCCCCCCCCCCN 34a_100000066677_100012180447 [1,1,0,0,0,0|1,0,1]=4 1674 B17R0.195 CCC#CCCCCCCCCOCC(=O)CC 7a_200000031908_100000747405 [1,1,0,0,0,0|0,0,2]=4 1675 B17R0.195 CCC#CCCCCCCOCCOC(=O)CC 7a_200000031056_200000036426 [1,1,0,0,0,0|0,0,2]=4 1676 B17R0.195 CCC(=O)CCCCCCCCCCCCCO 1458a_100000210414_100009812470 [1,1,0,0,0,0|1,0,0]=3 1677 B17R0.195 CCC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000747405 [1,1,0,0,0,0|1,0,0]=3 1678 B17R0.195 CCC(=O)COCCCCCCCCCCCO 34a_100000725409_100009812471 [1,1,0,0,0,0|1,0,0]=3 1679 B17R0.195 CCC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747405 [1,1,0,0,0,0|1,1,0]=4 1680 B17R0.195 CCC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000210414 [1,1,0,0,0,0|1,0,0]=3 1681 B17R0.195 CCC(=O)NCCNCCCCCCCCCO 34a_100132302217_100009813782 [1,1,0,0,0,0|2,0,0]=4 1682 B17R0.195 CCC(=O)NCCOCCCCCCCCCO 34a_200000158885_100009813782 [1,1,0,0,0,0|2,0,0]=4 1683 B17R0.195 CCC(=O)NCCOCCCCCCCCCO 7a_200000158885_100009813782 [1,1,0,0,0,0|2,0,0]=4 1684 B17R0.195 CCC(=O)OCCOCCCCCCCCCO 7a_200000031056_100009813782 [1,1,0,0,0,0|1,0,0]=3 1685 B17R0.195 CCC(C)OCCCCCCCCCCCCN 34a_100000066677_100011215416 [1,1,0,0,0,0|1,0,1]=4 1686 B17R0.195 CCC(C)OCCCCCCCCCCCCO 7a_100000210228_100009813331 [1,1,0,0,0,0|1,0,1]=4 1687 B17R0.195 CCCCC#CCCCCCCOCC(=O)CC 34a_100000725409_200000043322 [1,1,0,0,0,0|0,0,2]=4 1688 B17R0.195 CCCCCCCCC/C=C/COCC(=O)CC 7a_100015232335_100000747405 [1,1,0,0,0,0|0,0,2]=4 1689 B17R0.195 CCCCCCCCCCCC=NNC(=O)CC 4a_100000183195_100011218549 [1,1,0,0,0,0|1,0,1]=4 1690 B17R0.195 CCCCCCCCCCCCCCC(=O)CF 1458a_100000297455_100015361967 [1,1,0,0,0,0|2,0,0]=4 1691 B17R0.195 CCCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215471 [1,1,0,0,0,0|1,0,0]=3 1692 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000297455 [1,1,0,0,0,0|2,0,0]=4 1693 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000297455 [1,1,0,0,0,0|2,0,0]=4 1694 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000297455 [1,1,0,0,0,0|2,0,0]=4 1695 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 11a_100011215765_100000210414 [1,1,0,0,0,0|1,0,0]=3 1696 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 1626a_100011215765_100000210414 [1,1,0,0,0,0|1,0,0]=3 1697 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 240690a_100011215765_100000210414 [1,1,0,0,0,0|1,0,0]=3 1698 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 527a_100011215765_100000210414 [1,1,0,0,0,0|1,0,0]=3 1699 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 240690a_100011215765_100000210174 [1,1,0,0,0,0|1,0,0]=3 1700 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 527a_100011215765_100000210174 [1,1,0,0,0,0|1,0,0]=3 1701 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 2708a_100011215765_106832991635 [1,1,0,0,0,0|2,0,0]=4 1702 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100011215765 [1,1,0,0,0,0|2,0,0]=4 1703 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 273464a_100011215765_100102657272 [1,1,0,0,0,0|2,0,0]=4 1704 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100011215765 [1,1,0,0,0,0|2,0,0]=4 1705 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 512a_100011215765_100102657272 [1,1,0,0,0,0|2,0,0]=4 1706 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 512a_106832991638_100011215765 [1,1,0,0,0,0|2,0,0]=4 1707 B17R0.195 CCCCCCCCCCCCCOC(C)CO 34a_100000185773_100012180447 [1,1,0,0,0,0|1,0,1]=4 1708 B17R0.195 CCCCCCCCCCCCCOC(C)CO 7a_100000185773_100012180447 [1,1,0,0,0,0|1,0,1]=4 1709 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 2230a_100000210451_100000183359 [1,1,0,0,0,0|2,0,0]=4 1710 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100011215052 [1,1,0,0,0,0|2,0,0]=4 1711 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 270004a_100000693194_100011218549 [1,1,0,0,0,0|2,0,0]=4 1712 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 34a_100000210451_100000183359 [1,1,0,0,0,0|2,0,0]=4 1713 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 2230a_100000210451_100000747449 [1,1,0,0,0,0|2,0,0]=4 1714 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 34a_100000210451_100000747449 [1,1,0,0,0,0|2,0,0]=4 1715 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 34a_100000725409_100000759014 [1,1,0,0,0,0|0,0,0]=2 1716 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 7a_100000210810_100000747405 [1,1,0,0,0,0|0,0,0]=2 1717 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 34a_100000210810_100000183359 [1,1,0,0,0,0|1,0,0]=3 1718 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 34a_100000750040_100000759014 [1,1,0,0,0,0|1,0,0]=3 1719 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 7a_100000210810_100000183359 [1,1,0,0,0,0|1,0,0]=3 1720 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 34a_100000210810_100000747449 [1,1,0,0,0,0|1,0,0]=3 1721 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 7a_100000210810_100000747449 [1,1,0,0,0,0|1,0,0]=3 1722 B17R0.195 CCCCCCCCCCCCOCC(C)CC 34a_100000210810_100000748023 [1,1,0,0,0,0|1,0,1]=4 1723 B17R0.195 CCCCCCCCCCCCOCC(C)CC 7a_100000210810_100000748023 [1,1,0,0,0,0|1,0,1]=4 1724 B17R0.195 CCCCCCCCCCCCOCC(O)CC 34a_100000210810_100011218378 [1,1,0,0,0,0|0,0,2]=4 1725 B17R0.195 CCCCCCCCCCCCOCC(O)CC 7a_100000210810_100011218378 [1,1,0,0,0,0|0,0,2]=4 1726 B17R0.195 CCCCCCCCCCCCOCC(O)CO 34a_100000210810_100011219619 [1,1,0,0,0,0|0,0,2]=4 1727 B17R0.195 CCCCCCCCCCCCOCC(O)CO 7a_100000210810_100011219619 [1,1,0,0,0,0|0,0,2]=4 1728 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 34a_100000210810_100009816398 [1,1,0,0,0,0|1,0,1]=4 1729 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 7a_100000210810_100009816398 [1,1,0,0,0,0|1,0,1]=4 1730 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000759014 [1,1,0,0,0,0|1,0,1]=4 1731 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 34a_100000210810_100000059175 [1,1,0,0,0,0|1,0,1]=4 1732 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 7a_100000210810_100000059175 [1,1,0,0,0,0|1,0,1]=4 1733 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 34a_100000210810_100009815848 [1,1,0,0,0,0|0,0,2]=4 1734 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 7a_100000210810_100009815848 [1,1,0,0,0,0|0,0,2]=4 1735 B17R0.195 CCCCCCCCCCCCSCC(=O)CC 62a_100000747405_100000759014 [1,1,0,0,0,0|0,1,0]=3 1736 B17R0.195 CCCCCCCCCCCCSCC(=O)NC 62a_100000183359_100000759014 [1,1,0,0,0,0|1,1,0]=4 1737 B17R0.195 CCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100000759014 [1,1,0,0,0,0|1,1,0]=4 1738 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011215454 [1,1,0,0,0,0|2,0,0]=4 1739 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 2230a_200011215754_100000737683 [1,1,0,0,0,0|2,0,0]=4 1740 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 34a_100000738227_100011215454 [1,1,0,0,0,0|2,0,0]=4 1741 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 34a_200011215754_100012179268 [1,1,0,0,0,0|2,0,0]=4 1742 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 2230a_200011215754_100000204255 [1,1,0,0,0,0|2,0,0]=4 1743 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 34a_200011215754_100000742370 [1,1,0,0,0,0|2,0,0]=4 1744 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 34a_100000210809_100012179268 [1,1,0,0,0,0|2,0,0]=4 1745 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 34a_100000754576_100011215454 [1,1,0,0,0,0|2,0,0]=4 1746 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 7a_100000210809_100000737683 [1,1,0,0,0,0|2,0,0]=4 1747 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 34a_100000210809_100000742370 [1,1,0,0,0,0|2,0,0]=4 1748 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 7a_100000210809_100000204255 [1,1,0,0,0,0|2,0,0]=4 1749 B17R0.195 CCCCCCCCCCCSCCC(=O)NC 62a_100000737683_100011215454 [1,1,0,0,0,0|2,0,0]=4 1750 B17R0.195 CCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100011215454 [1,1,0,0,0,0|2,0,0]=4 1751 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 2230a_100000684558_100000741757 [1,1,0,0,0,0|2,0,0]=4 1752 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210320 [1,1,0,0,0,0|2,0,0]=4 1753 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 34a_100000684558_100000741757 [1,1,0,0,0,0|2,0,0]=4 1754 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210320 [1,1,0,0,0,0|2,0,0]=4 1755 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 2230a_100000684558_100011218270 [1,1,0,0,0,0|2,0,0]=4 1756 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 34a_100000684558_100000742333 [1,1,0,0,0,0|2,0,0]=4 1757 B17R0.195 CCCCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210320 [1,1,0,0,0,0|1,0,0]=3 1758 B17R0.195 CCCCCCCCCCNCCNC(=O)NC 34a_100015205895_100000210320 [1,1,0,0,0,0|2,0,0]=4 1759 B17R0.195 CCCCCCCCCCNCCOC(=O)NC 34a_100000684558_200011997002 [1,1,0,0,0,0|1,0,0]=3 1760 B17R0.195 CCCCCCCCCCOCCCC(=O)NC 34a_100000210711_100000741757 [1,1,0,0,0,0|2,0,0]=4 1761 B17R0.195 CCCCCCCCCCOCCCC(=O)NC 7a_100000210711_100000741757 [1,1,0,0,0,0|2,0,0]=4 1762 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 34a_100000210711_100000742333 [1,1,0,0,0,0|2,0,0]=4 1763 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 7a_100000210711_100011218270 [1,1,0,0,0,0|2,0,0]=4 1764 B17R0.195 CCCCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210320 [1,1,0,0,0,0|1,0,0]=3 1765 B17R0.195 CCCCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210320 [1,1,0,0,0,0|1,0,0]=3 1766 B17R0.195 CCCCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210320 [1,1,0,0,0,0|2,0,0]=4 1767 B17R0.195 CCCCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210320 [1,1,0,0,0,0|0,0,0]=2 1768 B17R0.195 CCCCCCCCCCOCCOC(=O)NC 34a_100000210711_200011997002 [1,1,0,0,0,0|1,0,0]=3 1769 B17R0.195 CCCCCCCCCCOCCOC(=O)NC 7a_100000210711_200011997002 [1,1,0,0,0,0|1,0,0]=3 1770 B17R0.195 CCCCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210320 [1,1,0,0,0,0|1,0,0]=3 1771 B17R0.195 CCCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210320 [1,1,0,0,0,0|2,0,0]=4 1772 B17R0.195 CCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210320 [1,1,0,0,0,0|2,0,0]=4 1773 B17R0.195 CCCCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210320 [1,1,0,0,0,0|1,0,0]=3 1774 B17R0.195 CCCCCCCCCCSCCOC(C)CC 34a_100011628728_100011215416 [1,1,0,0,0,0|1,0,1]=4 1775 B17R0.195 CCCCCCCCCCSCCOC(C)CC 7a_100011628728_100000758301 [1,1,0,0,0,0|1,0,1]=4 1776 B17R0.195 CCCCCCCCCCSCCOC(C)CO 34a_100011628728_100012180447 [1,1,0,0,0,0|1,0,1]=4 1777 B17R0.195 CCCCCCCCCCSCCOC(C)CO 7a_100011628728_100012180447 [1,1,0,0,0,0|1,0,1]=4 1778 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 2230a_100000212291_100000204269 [1,1,0,0,0,0|2,0,0]=4 1779 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 34a_100000212291_100000204269 [1,1,0,0,0,0|2,0,0]=4 1780 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 2230a_100000212291_100000090808 [1,1,0,0,0,0|2,0,0]=4 1781 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 34a_100000212291_100000090808 [1,1,0,0,0,0|2,0,0]=4 1782 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100011214924 [1,1,0,0,0,0|2,0,0]=4 1783 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000210712_100000204269 [1,1,0,0,0,0|2,0,0]=4 1784 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210328 [1,1,0,0,0,0|2,0,0]=4 1785 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000210712_100000204269 [1,1,0,0,0,0|2,0,0]=4 1786 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 34a_100000210712_100000090808 [1,1,0,0,0,0|2,0,0]=4 1787 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 7a_100000210712_100000090808 [1,1,0,0,0,0|2,0,0]=4 1788 B17R0.195 CCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210670 [1,1,0,0,0,0|2,0,0]=4 1789 B17R0.195 CCCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210670 [1,1,0,0,0,0|2,0,0]=4 1790 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 2230a_100000229939_100009816466 [1,1,0,0,0,0|2,0,0]=4 1791 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 34a_100000229939_100009816466 [1,1,0,0,0,0|2,0,0]=4 1792 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210759 [1,1,0,0,0,0|2,0,0]=4 1793 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000210232_100009816466 [1,1,0,0,0,0|2,0,0]=4 1794 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210759 [1,1,0,0,0,0|2,0,0]=4 1795 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000210232_100009816466 [1,1,0,0,0,0|2,0,0]=4 1796 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100000210759_100009816466 [1,1,0,0,0,0|2,0,0]=4 1797 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210317 [1,1,0,0,0,0|2,0,0]=4 1798 B17R0.195 CCCCCCCNCCCCCCC(=O)OC 2230a_100000229938_100009815986 [1,1,0,0,0,0|2,0,0]=4 1799 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100000210272_100009815986 [1,1,0,0,0,0|2,0,0]=4 1800 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210614 [1,1,0,0,0,0|2,0,0]=4 1801 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100000210272_100009815986 [1,1,0,0,0,0|2,0,0]=4 1802 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210614 [1,1,0,0,0,0|2,0,0]=4 1803 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100000210614_100009815986 [1,1,0,0,0,0|2,0,0]=4 1804 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210316 [1,1,0,0,0,0|2,0,0]=4 1805 B17R0.195 CCCCCCNCCCCCCCC(=O)OC 2230a_100000210581_100010004213 [1,1,0,0,0,0|2,0,0]=4 1806 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100000210259_100010004213 [1,1,0,0,0,0|2,0,0]=4 1807 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210314 [1,1,0,0,0,0|2,0,0]=4 1808 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100000210259_100010004213 [1,1,0,0,0,0|2,0,0]=4 1809 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210314 [1,1,0,0,0,0|2,0,0]=4 1810 B17R0.195 CCCCCCOCCOCCOCC(=O)CC 7a_100000032842_100000747405 [1,1,0,0,0,0|2,0,0]=4 1811 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100000210314_100010004213 [1,1,0,0,0,0|2,0,0]=4 1812 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210757 [1,1,0,0,0,0|2,0,0]=4 1813 B17R0.195 CCCCCNCCCCCCCCC(=O)OC 2230a_100000209983_100010282707 [1,1,0,0,0,0|2,0,0]=4 1814 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000718602 [1,1,0,0,0,0|2,0,0]=4 1815 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000210253_100010282707 [1,1,0,0,0,0|2,0,0]=4 1816 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210326 [1,1,0,0,0,0|2,0,0]=4 1817 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000210253_100010282707 [1,1,0,0,0,0|2,0,0]=4 1818 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100000210326_100010282707 [1,1,0,0,0,0|2,0,0]=4 1819 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210326 [1,1,0,0,0,0|2,0,0]=4 1820 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 2230a_100000102301_100009813843 [1,1,0,0,0,0|2,0,0]=4 1821 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 7a_106832991798_100009813843 [1,1,0,0,0,0|2,0,0]=4 1822 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 34a_100000210227_100009813843 [1,1,0,0,0,0|2,0,0]=4 1823 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 7a_100000210227_100009813843 [1,1,0,0,0,0|2,0,0]=4 1824 B17R0.195 CCCCSCCCCCCCCCC(=O)OC 62a_100000210211_100009813843 [1,1,0,0,0,0|2,0,0]=4 1825 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100000210258_100009812566 [1,1,0,0,0,0|2,0,0]=4 1826 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210303 [1,1,0,0,0,0|2,0,0]=4 1827 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210303 [1,1,0,0,0,0|2,0,0]=4 1828 B17R0.195 CCCSCCCCCCCCCCC(=O)OC 62a_100000210303_100009812566 [1,1,0,0,0,0|2,0,0]=4 1829 B17R0.195 CCNCCCCCCCCCCCC(=O)OC 2230a_100015525214_100010983606 [1,1,0,0,0,0|2,0,0]=4 1830 B17R0.195 CCOCCCCCCCCCCCC(=O)OC 34a_100121572206_100010983606 [1,1,0,0,0,0|2,0,0]=4 1831 B17R0.195 CCOCCCCCCCCCOCC(=O)CC 7a_100009875440_100000747405 [1,1,0,0,0,0|1,0,0]=3 1832 B17R0.195 CCOCCCCCCCCCOCC(=O)NC 34a_100009875440_100000183359 [1,1,0,0,0,0|2,0,0]=4 1833 B17R0.195 CCOCCCCCCCCCOCC(=O)NC 7a_100009875440_100000183359 [1,1,0,0,0,0|2,0,0]=4 1834 B17R0.195 CCOCCCCCCCCCOCC(=O)OC 34a_100009875440_100000747449 [1,1,0,0,0,0|2,0,0]=4 1835 B17R0.195 CCOCCCCCCCCCOCC(=O)OC 7a_100009875440_100000747449 [1,1,0,0,0,0|2,0,0]=4 1836 B17R0.195 CCSCCCCCCCCCCCC(=O)OC 62a_100000210202_100010983606 [1,1,0,0,0,0|2,0,0]=4 1837 B17R0.195 CNC(=O)CCCCCCCCCCCCCO 240690a_100102657272_100020644313 [1,1,0,0,0,0|2,0,0]=4 1838 B17R0.195 CNC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000183359 [1,1,0,0,0,0|2,0,0]=4 1839 B17R0.195 CNC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000183359 [1,1,0,0,0,0|2,0,0]=4 1840 B17R0.195 CNC(=O)COCCCCCCCCCCCO 34a_100000750040_100009812471 [1,1,0,0,0,0|2,0,0]=4 1841 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 2708a_100000066677_106832991635 [1,1,0,0,0,0|2,0,0]=4 1842 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 2708a_100102657272_100000066677 [1,1,0,0,0,0|2,0,0]=4 1843 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 273464a_100000066677_100102657272 [1,1,0,0,0,0|2,0,0]=4 1844 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 273464a_100102657272_100000066677 [1,1,0,0,0,0|2,0,0]=4 1845 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 512a_100000066677_100102657272 [1,1,0,0,0,0|2,0,0]=4 1846 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 512a_106832991638_100000066677 [1,1,0,0,0,0|2,0,0]=4 1847 B17R0.195 CNC(=O)OCCNCCCCCCCCCO 34a_100000078944_200011997002 [1,1,0,0,0,0|2,0,0]=4 1848 B17R0.195 CNC(=O)OCCOCCCCCCCCCBr 34a_100009813782_200011997002 [1,1,0,0,0,0|2,0,0]=4 1849 B17R0.195 CNC(=O)OCCOCCCCCCCCCBr 7a_100009813782_200011997002 [1,1,0,0,0,0|2,0,0]=4 1850 B17R0.195 CNC(=O)OCCOCCCCCCCCCCl 34a_100009868337_200011997002 [1,1,0,0,0,0|2,0,0]=4 1851 B17R0.195 CNC(=O)OCCOCCCCCCCCCCl 7a_100009868337_200011997002 [1,1,0,0,0,0|2,0,0]=4 1852 B17R0.195 CNC(=O)OCCOCCCCCCCCCN 34a_100000078944_200011997002 [1,1,0,0,0,0|2,0,0]=4 1853 B17R0.195 CNC(=O)OCCSCCCCCCCCCO 62a_100009813782_200011997002 [1,1,0,0,0,0|2,0,0]=4 1854 B17R0.195 CNC(=O)OCCSCCCCCCCCCO 62a_200011997002_100009813782 [1,1,0,0,0,0|2,0,0]=4 1855 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 2230a_106832991635_209314222159 [1,1,0,0,0,0|2,0,0]=4 1856 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 34a_100102657272_209314222159 [1,1,0,0,0,0|2,0,0]=4 1857 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 7a_106832991635_209314222159 [1,1,0,0,0,0|2,0,0]=4 1858 B17R0.195 COC(=O)CCCCCCCCCCCCSC 62a_200000210301_209314222159 [1,1,0,0,0,0|2,0,0]=4 1859 B17R0.195 COC(=O)CCCCCCCCCCCCS[13CH3] 62a_200025704644_209314222159 [1,1,0,0,0,0|2,0,0]=4 1860 B17R0.195 COC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000747449 [1,1,0,0,0,0|2,0,0]=4 1861 B17R0.195 COC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000747449 [1,1,0,0,0,0|2,0,0]=4 1862 B17R0.195 COC(=O)OCCOCCCCCCCCCO 34a_100010262106_100009813782 [1,1,0,0,0,0|2,0,0]=4 1863 B17R0.195 COC(=O)OCSCCCCCCCCCCO 62a_100009813290_100000139417 [1,1,0,0,0,0|2,0,0]=4 1864 B17R0.195 COCCCCCCCCCCCCC(=O)OC 34a_100138415774_209314222159 [1,1,0,0,0,0|2,0,0]=4 1865 B17R0.195 O=C(CO)CCCCCCCCCCCCCO 1458a_100000210174_100009812470 [1,1,0,0,0,0|1,0,0]=3 1866 B17R0.195 O=C(CO)NCCCCCCCCCCCCO 240690a_100000066677_100000210174 [1,1,0,0,0,0|1,0,0]=3 1867 B17R0.250 C#CCC(=O)CCCCCCCCCCCCC 1458a_100000756256_100000184674 [1,1,0,0,0,0|1,0,1]=4 1868 B17R0.250 C#CCC(=O)CCCCCCCCCCCCC 1458a_100011220946_100000210684 [1,1,0,0,0,0|1,0,1]=4 1869 B17R0.250 C#CCC(=O)NCCCCCCCCCCCC 1626a_100000210451_100011220946 [1,1,0,0,0,0|1,0,1]=4 1870 B17R0.250 C#CCC(=O)NCCCCCCCCCCCC 527a_100000210451_100011220946 [1,1,0,0,0,0|1,0,1]=4 1871 B17R0.250 C=CCC(=O)CCCCCCCCCCCCC 1458a_100000210193_100000210684 [1,1,0,0,0,0|1,0,1]=4 1872 B17R0.250 C=CCC(=O)CCCCCCCCCCCCC 1458a_100000756256_100000210623 [1,1,0,0,0,0|1,0,1]=4 1873 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 11a_100000210451_100000210193 [1,1,0,0,0,0|1,0,1]=4 1874 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000210193 [1,1,0,0,0,0|1,0,1]=4 1875 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000210193 [1,1,0,0,0,0|1,0,1]=4 1876 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 527a_100000210451_100000210193 [1,1,0,0,0,0|1,0,1]=4 1877 B17R0.250 CC#CC(=O)CCCCCCCCCCCCC 1458a_100000763181_100000210684 [1,1,0,0,0,0|1,0,1]=4 1878 B17R0.250 CC=CC(=O)CCCCCCCCCCCCC 1458a_100000210699_100000210684 [1,1,0,0,0,0|1,0,1]=4 1879 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 11a_100000210451_100000210699 [1,1,0,0,0,0|1,0,1]=4 1880 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000210699 [1,1,0,0,0,0|1,0,1]=4 1881 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000210699 [1,1,0,0,0,0|1,0,1]=4 1882 B17R0.250 CCCC(=O)CCCCCCCCCCCCO 1458a_100000211992_100009813331 [1,1,0,0,0,0|2,0,0]=4 1883 B17R0.250 CCCC(=O)OCNCCCCCCCCCO 2230a_100000078944_100000034017 [1,1,0,0,0,0|2,0,0]=4 1884 B17R0.250 CCCC(=O)OCNCCCCCCCCCO 34a_100000078944_100000034017 [1,1,0,0,0,0|2,0,0]=4 1885 B17R0.250 CCCC(=O)OCOCCCCCCCCCBr 34a_100009813782_100000034017 [1,1,0,0,0,0|2,0,0]=4 1886 B17R0.250 CCCC(=O)OCOCCCCCCCCCCl 34a_100009868337_100000034017 [1,1,0,0,0,0|2,0,0]=4 1887 B17R0.250 CCCC(=O)OCOCCCCCCCCCN 34a_100000078944_100000034017 [1,1,0,0,0,0|2,0,0]=4 1888 B17R0.250 CCCC(=O)OCSCCCCCCCCCO 62a_100009813782_100000034017 [1,1,0,0,0,0|2,0,0]=4 1889 B17R0.250 CCCCCCCCCCCCCC(=O)CC#N 1458a_100000756256_100011214920 [1,1,0,0,0,0|1,0,1]=4 1890 B17R0.250 CCCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210684 [1,1,0,0,0,0|1,0,1]=4 1891 B17R0.250 CCCCCCCCCCCCCC(=O)CCF 1458a_100000756256_100011217306 [1,1,0,0,0,0|1,0,0]=3 1892 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100000756256_100000211926 [1,1,0,0,0,0|1,0,0]=3 1893 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210684 [1,1,0,0,0,0|1,0,0]=3 1894 B17R0.250 CCCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000210684 [1,1,0,0,0,0|1,0,0]=3 1895 B17R0.250 CCCCCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210684 [1,1,0,0,0,0|1,0,0]=3 1896 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 11a_100015525214_100000756256 [1,1,0,0,0,0|1,0,0]=3 1897 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000756256 [1,1,0,0,0,0|1,0,0]=3 1898 B17R0.250 CCCCCCCCCCCCCC(=O)NNC 22a_100016993582_100000756256 [1,1,0,0,0,0|2,0,0]=4 1899 B17R0.250 CCCCCCCCCCCCNC(=O)CC#N 1626a_100000210451_100051588842 [1,1,0,0,0,0|1,0,1]=4 1900 B17R0.250 CCCCCCCCCCCCNC(=O)CC#N 240690a_100000210451_100051588842 [1,1,0,0,0,0|1,0,1]=4 1901 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 11a_100000210451_100000211992 [1,1,0,0,0,0|1,0,0]=3 1902 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 1626a_100000210451_100000211992 [1,1,0,0,0,0|1,0,0]=3 1903 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 240690a_100000210451_100000211992 [1,1,0,0,0,0|1,0,0]=3 1904 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 527a_100000210451_100000211992 [1,1,0,0,0,0|1,0,0]=3 1905 B17R0.250 CCCCCCCCCCCCNC(=O)CCO 240690a_100000210451_100011216618 [1,1,0,0,0,0|1,0,0]=3 1906 B17R0.250 CCCCCCCCCCCCNC(=O)COC 11a_100000210451_100000210968 [1,1,0,0,0,0|1,0,0]=3 1907 B17R0.250 CCCCCCCCCCCCNC(=O)COC 1626a_100000210451_100000210968 [1,1,0,0,0,0|1,0,0]=3 1908 B17R0.250 CCCCCCCCCCCCNC(=O)COC 240690a_100000210451_100000210968 [1,1,0,0,0,0|1,0,0]=3 1909 B17R0.250 CCCCCCCCCCCCNC(=O)COC 527a_100000210451_100000210968 [1,1,0,0,0,0|1,0,0]=3 1910 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 11a_100000210451_100000184570 [1,1,0,0,0,0|1,0,0]=3 1911 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 1626a_100000210451_100000184570 [1,1,0,0,0,0|1,0,0]=3 1912 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 240690a_100000210451_100000184570 [1,1,0,0,0,0|1,0,0]=3 1913 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 527a_100000210451_100000184570 [1,1,0,0,0,0|1,0,0]=3 1914 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 2708a_100000210451_100015525214 [1,1,0,0,0,0|1,0,0]=3 1915 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000210451 [1,1,0,0,0,0|1,0,0]=3 1916 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 273464a_100000210451_100015525214 [1,1,0,0,0,0|1,0,0]=3 1917 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000210451 [1,1,0,0,0,0|1,0,0]=3 1918 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 512a_100000210451_100015525214 [1,1,0,0,0,0|1,0,0]=3 1919 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 512a_100015525214_100000210451 [1,1,0,0,0,0|1,0,0]=3 1920 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 273464a_100000210451_100016993582 [1,1,0,0,0,0|2,0,0]=4 1921 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 512a_100000210451_100016993582 [1,1,0,0,0,0|2,0,0]=4 1922 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 512a_100016993582_100000210451 [1,1,0,0,0,0|2,0,0]=4 1923 B17R0.250 CCCCCCCCCCCCOC(C)CCO 34a_100000210810_100009893172 [1,1,0,0,0,0|1,0,1]=4 1924 B17R0.250 CCCCCCCCCCCCOC(C)CCO 7a_100000210810_100009893172 [1,1,0,0,0,0|1,0,1]=4 1925 B17R0.250 CCCCCCCCCCCCOC(C)COC 34a_100000210810_100000765312 [1,1,0,0,0,0|1,0,1]=4 1926 B17R0.250 CCCCCCCCCCCCOC(C)COC 7a_100000210810_100000765312 [1,1,0,0,0,0|1,0,1]=4 1927 B17R0.250 CCCCCCCCCCCCO[C@H](C)COC 34a_100011934205_100000759014 [1,1,0,0,0,0|1,0,1]=4 1928 B17R0.250 CCCCCCCCCCCNCC(=O)CCC 2230a_200011215754_100000747444 [1,1,0,0,0,0|2,0,0]=4 1929 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011215454 [1,1,0,0,0,0|2,0,0]=4 1930 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 2230a_200011215754_100000183381 [1,1,0,0,0,0|2,0,0]=4 1931 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 34a_200011215754_100000183381 [1,1,0,0,0,0|2,0,0]=4 1932 B17R0.250 CCCCCCCCCCCNCC(=O)NCO 2230a_200011215754_100000185155 [1,1,0,0,0,0|2,0,0]=4 1933 B17R0.250 CCCCCCCCCCCNCC(=O)NCO 34a_200011215754_100000185155 [1,1,0,0,0,0|2,0,0]=4 1934 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 2230a_200011215754_100000188475 [1,1,0,0,0,0|2,0,0]=4 1935 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 34a_200011215754_100000188475 [1,1,0,0,0,0|2,0,0]=4 1936 B17R0.250 CCCCCCCCCCCOCC(=O)CCC 7a_100000210809_100000747444 [1,1,0,0,0,0|2,0,0]=4 1937 B17R0.250 CCCCCCCCCCCOCC(=O)NCC 34a_100000210809_100000183381 [1,1,0,0,0,0|2,0,0]=4 1938 B17R0.250 CCCCCCCCCCCOCC(=O)NCC 7a_100000210809_100000183381 [1,1,0,0,0,0|2,0,0]=4 1939 B17R0.250 CCCCCCCCCCCOCC(=O)NCO 34a_100000210809_100000185155 [1,1,0,0,0,0|2,0,0]=4 1940 B17R0.250 CCCCCCCCCCCOCC(=O)NCO 7a_100000210809_100000185155 [1,1,0,0,0,0|2,0,0]=4 1941 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 34a_100000210809_100000188475 [1,1,0,0,0,0|2,0,0]=4 1942 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 7a_100000210809_100000188475 [1,1,0,0,0,0|2,0,0]=4 1943 B17R0.250 CCCCCCCCCCCSCC(=O)CCC 62a_100000747444_100011215454 [1,1,0,0,0,0|2,0,0]=4 1944 B17R0.250 CCCCCCCCCCCSCC(=O)NCC 62a_100000183381_100011215454 [1,1,0,0,0,0|2,0,0]=4 1945 B17R0.250 CCCCCCCCCCCSCC(=O)NCO 62a_100000185155_100011215454 [1,1,0,0,0,0|2,0,0]=4 1946 B17R0.250 CCCCCCCCCCCSCC(=O)OCC 62a_100000188475_100011215454 [1,1,0,0,0,0|2,0,0]=4 1947 B17R0.250 CCCCCCCCCCNCCC(=O)NCC 2230a_100000684558_100000737597 [1,1,0,0,0,0|2,0,0]=4 1948 B17R0.250 CCCCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210320 [1,1,0,0,0,0|2,0,0]=4 1949 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 2230a_100000684558_100011206558 [1,1,0,0,0,0|2,0,0]=4 1950 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 34a_100000684558_100000765890 [1,1,0,0,0,0|2,0,0]=4 1951 B17R0.250 CCCCCCCCCCNCOC(=O)CCC 2230a_100000684558_100000034017 [1,1,0,0,0,0|1,0,0]=3 1952 B17R0.250 CCCCCCCCCCNCOC(=O)CCC 34a_100000684558_100000034017 [1,1,0,0,0,0|1,0,0]=3 1953 B17R0.250 CCCCCCCCCCOCCC(=O)NCC 7a_100000210711_100000737597 [1,1,0,0,0,0|2,0,0]=4 1954 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 34a_100000210711_100000765890 [1,1,0,0,0,0|2,0,0]=4 1955 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 7a_100000210711_100011206558 [1,1,0,0,0,0|2,0,0]=4 1956 B17R0.250 CCCCCCCCCCOCOC(=O)CCC 34a_100000210711_100000034017 [1,1,0,0,0,0|1,0,0]=3 1957 B17R0.250 CCCCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210320 [1,1,0,0,0,0|2,0,0]=4 1958 B17R0.250 CCCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210320 [1,1,0,0,0,0|2,0,0]=4 1959 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 2230a_100000212291_100009991533 [1,1,0,0,0,0|2,0,0]=4 1960 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 34a_100000212291_100009991533 [1,1,0,0,0,0|2,0,0]=4 1961 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 34a_100000210712_100009991533 [1,1,0,0,0,0|2,0,0]=4 1962 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100000210712_100011215271 [1,1,0,0,0,0|2,0,0]=4 1963 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210328 [1,1,0,0,0,0|2,0,0]=4 1964 B17R0.250 CCCCCCCCCOCCNC(=O)OCC 34a_100000158857_100011214924 [1,1,0,0,0,0|2,0,0]=4 1965 B17R0.250 CCCCCCCCCOCCNC(=O)OCC 7a_100000210712_200011445536 [1,1,0,0,0,0|2,0,0]=4 1966 B17R0.250 CCCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210670 [1,1,0,0,0,0|2,0,0]=4 1967 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 2230a_100000229939_100000750268 [1,1,0,0,0,0|2,0,0]=4 1968 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 34a_100000229939_100000750268 [1,1,0,0,0,0|2,0,0]=4 1969 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 34a_100000210232_100000750268 [1,1,0,0,0,0|2,0,0]=4 1970 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 7a_100000210232_100000750268 [1,1,0,0,0,0|2,0,0]=4 1971 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000210759_100000750268 [1,1,0,0,0,0|2,0,0]=4 1972 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210317 [1,1,0,0,0,0|2,0,0]=4 1973 B17R0.250 CCCCCCCNCCCCCC(=O)OCC 2230a_100000229938_100000755133 [1,1,0,0,0,0|2,0,0]=4 1974 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 34a_100000210272_100000755133 [1,1,0,0,0,0|2,0,0]=4 1975 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100000210272_100000755133 [1,1,0,0,0,0|2,0,0]=4 1976 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210614 [1,1,0,0,0,0|2,0,0]=4 1977 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000210614_100000755133 [1,1,0,0,0,0|2,0,0]=4 1978 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210316 [1,1,0,0,0,0|2,0,0]=4 1979 B17R0.250 CCCCCCNCCCCCCC(=O)OCC 2230a_100000210581_100009814379 [1,1,0,0,0,0|2,0,0]=4 1980 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 34a_100000210259_100009814379 [1,1,0,0,0,0|2,0,0]=4 1981 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 7a_100000210259_100009814379 [1,1,0,0,0,0|2,0,0]=4 1982 B17R0.250 CCCCCCSCCCCCCC(=O)OCC 62a_100000210314_100009814379 [1,1,0,0,0,0|2,0,0]=4 1983 B17R0.250 CCCCCNCCCCCCCC(=O)OCC 2230a_100000209983_100009991516 [1,1,0,0,0,0|2,0,0]=4 1984 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 34a_100000210253_100009991516 [1,1,0,0,0,0|2,0,0]=4 1985 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 7a_100000210253_100009991516 [1,1,0,0,0,0|2,0,0]=4 1986 B17R0.250 CCCCCSCCCCCCCC(=O)OCC 62a_100000210326_100009991516 [1,1,0,0,0,0|2,0,0]=4 1987 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 2230a_100000102301_100010175975 [1,1,0,0,0,0|2,0,0]=4 1988 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 7a_106832991798_100010175975 [1,1,0,0,0,0|2,0,0]=4 1989 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 34a_100000210227_100010175975 [1,1,0,0,0,0|2,0,0]=4 1990 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 7a_100000210227_100010175975 [1,1,0,0,0,0|2,0,0]=4 1991 B17R0.250 CCCCSCCCCCCCCC(=O)OCC 62a_100000210211_100010175975 [1,1,0,0,0,0|2,0,0]=4 1992 B17R0.250 CCCOCCCCCCCCCC(=O)OCC 34a_100000210258_100009828014 [1,1,0,0,0,0|2,0,0]=4 1993 B17R0.250 CCCSCCCCCCCCCC(=O)OCC 62a_100000210303_100009828014 [1,1,0,0,0,0|2,0,0]=4 1994 B17R0.250 CCNC(=O)CCCCCCCCCCCCO 240690a_100015525214_100102582631 [1,1,0,0,0,0|2,0,0]=4 1995 B17R0.250 CCNCCCCCCCCCCC(=O)OCC 2230a_100015525214_100009827693 [1,1,0,0,0,0|2,0,0]=4 1996 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 2230a_106832991635_100103168309 [1,1,0,0,0,0|2,0,0]=4 1997 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 34a_100102657272_100103168309 [1,1,0,0,0,0|2,0,0]=4 1998 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 7a_106832991635_100103168309 [1,1,0,0,0,0|2,0,0]=4 1999 B17R0.250 CCOC(=O)CCCCCCCCCCCOC 34a_100138415774_100103168309 [1,1,0,0,0,0|2,0,0]=4 2000 B17R0.250 CCOC(=O)CCCCCCCCCCCSC 62a_200000210301_100103168309 [1,1,0,0,0,0|2,0,0]=4 2001 B17R0.250 CCOC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100103168309 [1,1,0,0,0,0|2,0,0]=4 2002 B17R0.250 CCOC(=O)CCCCCCCCCCSCC 62a_100000210202_100009827693 [1,1,0,0,0,0|2,0,0]=4 2003 B17R0.250 CCOC(=O)OCSCCCCCCCCCO 62a_100009813782_100000075025 [1,1,0,0,0,0|2,0,0]=4 2004 B17R0.250 CCOCCCCCCCCCCC(=O)OCC 34a_100121572206_100009827693 [1,1,0,0,0,0|2,0,0]=4 2005 B17R0.250 COCC(=O)CCCCCCCCCCCCO 1458a_100000210968_100009813331 [1,1,0,0,0,0|2,0,0]=4 2006 B17R0.250 CSCC(=O)CCCCCCCCCCCCO 1458a_100000184570_100009813331 [1,1,0,0,0,0|2,0,0]=4 2007 B17R0.250 O=C(CCO)CCCCCCCCCCCCO 1458a_100011216618_100009813331 [1,1,0,0,0,0|2,0,0]=4 2008 B17R0.3112 CCCCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000759014 [1,1,0,0,0,0|2,0,0]=4 2009 B17R0.3112 CCCCCCCCCCCCC(C)C(=O)CC 1458a_100000210414_200011217028 [1,1,0,0,0,0|1,0,0]=3 2010 B17R0.3112 CCCCCCCCCCCCC(C)C(=O)CO 1458a_100000210174_200011217028 [1,1,0,0,0,0|1,0,0]=3 2011 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 11a_100000227908_100000210414 [1,1,0,0,0,0|1,0,0]=3 2012 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 1626a_100000227908_100000210414 [1,1,0,0,0,0|1,0,0]=3 2013 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 240690a_100000227908_100000210414 [1,1,0,0,0,0|1,0,0]=3 2014 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 527a_100000227908_100000210414 [1,1,0,0,0,0|1,0,0]=3 2015 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CO 240690a_100000227908_100000210174 [1,1,0,0,0,0|1,0,0]=3 2016 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CO 527a_100000227908_100000210174 [1,1,0,0,0,0|1,0,0]=3 2017 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000227908 [1,1,0,0,0,0|2,0,0]=4 2018 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000227908 [1,1,0,0,0,0|2,0,0]=4 2019 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)CC 2230a_200011215754_100000742827 [1,1,0,0,0,0|2,0,0]=4 2020 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)CC 7a_100000210809_100000742827 [1,1,0,0,0,0|2,0,0]=4 2021 B17R0.3112 CCCCCCCCCCCSC(C)C(=O)CC 62a_100000742827_100011215454 [1,1,0,0,0,0|2,0,0]=4 2022 B17R0.3217 C#CC(CC)OCCCCCCCCCCCC 34a_100000758843_100000759014 [1,1,0,0,0,0|1,0,1]=4 2023 B17R0.3217 C#CC(CC)OCCCCCCCCCCCC 7a_100000758843_100000759014 [1,1,0,0,0,0|1,0,1]=4 2024 B17R0.3217 C=CC(CC)OCCCCCCCCCCCC 34a_100000766422_100000759014 [1,1,0,0,0,0|1,0,1]=4 2025 B17R0.3217 C=CC(CC)OCCCCCCCCCCCC 7a_100000766422_100000759014 [1,1,0,0,0,0|1,0,1]=4 2026 B17R0.5801 CCCCC(C)CCCCOCCOC(=O)NC 34a_200011021034_200011997002 [1,1,0,0,0,0|2,0,0]=4 2027 B17R0.5801 CCCCC(C)CCCCOCCOC(=O)NC 7a_200011021034_200011997002 [1,1,0,0,0,0|2,0,0]=4 2028 B17R0.8798 CCCCCCCCCC(=O)CCOC(=O)NC 1458a_100000210558_200011997002 [1,1,0,0,0,0|1,0,1]=4 2029 B17R0.8798 CCCCCCCCCN(C)CCOC(=O)NC 269982a_100000232482_200011997002 [1,1,0,0,0,0|2,0,0]=4 2030 B17R0.12415 CCCCCCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210319 [1,1,0,0,0,0|1,0,1]=4 2031 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)CC 7a_100011215000_100000747405 [1,1,0,0,0,0|2,0,0]=4 2032 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)CC 1458a_100000210736_100000747405 [1,1,0,0,0,0|1,0,1]=4 2033 B17R0.13601 CCCCCCCCCCCC(C)OC(C)CO 34a_100011217895_100012180447 [1,1,0,0,0,0|1,0,1]=4 2034 B17R0.13601 CCCCCCCCCCCC(C)OC(C)CO 7a_100011217895_100012180447 [1,1,0,0,0,0|1,0,1]=4 2035 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)NC 1626a_100102657272_100000082106 [1,1,0,0,0,0|2,0,0]=4 2036 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)NC 240690a_100102657272_100000082106 [1,1,0,0,0,0|2,0,0]=4 2037 B17R0.14363 CNC(=O)OCCOCCCCCCCC(C)C 34a_200000210741_200011997002 [1,1,0,0,0,0|2,0,0]=4 2038 B17R0.14363 CNC(=O)OCCOCCCCCCCC(C)C 7a_200000210741_200011997002 [1,1,0,0,0,0|2,0,0]=4 2039 B17R0.14367 CCCCCCCCCCCCNS(=O)(=O)CC 270084a_100000210451_100000211323 [1,1,0,0,0,0|2,0,0]=4 2040 B17R0.14367 CCCCCCCCCCCCNS(=O)(=O)CC 274078a_100000210451_100000211323 [1,1,0,0,0,0|2,0,0]=4 2041 B17R0.14367 CCCCCCCCCCCCNS(=O)(=O)CC 40a_100000210451_100000053943 [1,1,0,0,0,0|2,0,0]=4 2042 B17R0.46 C=CCCCCCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100011093070 [1,1,0,0,0,0|0,0,2]=4 2043 B17R0.46 CC(C)(C)C(=O)CCCCCCCCCCCO 1458a_106744555173_100009812471 [1,1,0,0,0,0|2,0,0]=4 2044 B17R0.46 CC(C)(F)C(=O)CCCCCCCCCCCO 1458a_100000765255_100009812471 [1,1,0,0,0,0|2,0,0]=4 2045 B17R0.46 CC(C)(O)C(=O)CCCCCCCCCCCO 1458a_100000242741_100009812471 [1,1,0,0,0,0|1,0,0]=3 2046 B17R0.46 CC(C)(O)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000242741 [1,1,0,0,0,0|2,0,0]=4 2047 B17R0.46 CCCCC#CCCCCCCC(=O)C(C)(C)O 1458a_100000242741_200000043322 [1,1,0,0,0,0|0,0,2]=4 2048 B17R0.46 CCCCCCCCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000759014 [1,1,0,0,0,0|1,0,0]=3 2049 B17R0.46 CCCCCCCCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000759014 [1,1,0,0,0,0|1,0,0]=3 2050 B17R0.46 CCCCCCCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000759014 [1,1,0,0,0,0|0,0,0]=2 2051 B17R0.46 CCCCCCCCCCCCC(=O)C(F)(F)F 1458a_100011215791_200000243211 [1,1,0,0,0,0|2,0,0]=4 2052 B17R0.46 CCCCCCCCCCCCC(=O)C(F)(F)F 1458a_100015355933_100000759014 [1,1,0,0,0,0|2,0,0]=4 2053 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)C 11a_200011215754_106744555173 [1,1,0,0,0,0|2,0,0]=4 2054 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)C 1626a_200011215754_106744555173 [1,1,0,0,0,0|2,0,0]=4 2055 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)C 240690a_200011215754_106744555173 [1,1,0,0,0,0|2,0,0]=4 2056 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)C 527a_200011215754_106744555173 [1,1,0,0,0,0|2,0,0]=4 2057 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)F 11a_200011215754_100000765255 [1,1,0,0,0,0|2,0,0]=4 2058 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)F 1626a_200011215754_100000765255 [1,1,0,0,0,0|2,0,0]=4 2059 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)F 240690a_200011215754_100000765255 [1,1,0,0,0,0|2,0,0]=4 2060 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)F 527a_200011215754_100000765255 [1,1,0,0,0,0|2,0,0]=4 2061 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(C)O 240690a_200011215754_100000242741 [1,1,0,0,0,0|1,0,0]=3 2062 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(F)F 11a_200011215754_100000042251 [1,1,0,0,0,0|2,0,0]=4 2063 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(F)F 1626a_200011215754_100000042251 [1,1,0,0,0,0|2,0,0]=4 2064 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(F)F 240690a_200011215754_100000042251 [1,1,0,0,0,0|2,0,0]=4 2065 B17R0.46 CCCCCCCCCCCNC(=O)C(C)(F)F 527a_200011215754_100000042251 [1,1,0,0,0,0|2,0,0]=4 2066 B17R0.46 CCCCCCCCCCNCC(=O)C(C)(C)C 34a_100000684558_100000229897 [1,1,0,0,0,0|2,0,0]=4 2067 B17R0.46 CCCCCCCCCCOCC(=O)C(C)(C)C 34a_100000210711_100000229897 [1,1,0,0,0,0|2,0,0]=4 2068 B17R0.46 CCCCCCCCCCOCC(=O)C(C)(C)C 34a_200011592769_100000210320 [1,1,0,0,0,0|2,0,0]=4 2069 B17R0.46 CCCCCCCCCCOCC(=O)C(C)(C)C 7a_100000210711_100000210923 [1,1,0,0,0,0|2,0,0]=4 2070 B17R0.46 CCCCCCCCCCOCC(=O)C(C)(C)C 7a_200011592769_100000210320 [1,1,0,0,0,0|2,0,0]=4 2071 B17R0.46 CCCCCCCCCCSCC(=O)C(C)(C)C 62a_100000210923_100000210320 [1,1,0,0,0,0|2,0,0]=4 2072 B17R0.46 CCCCCCCCCSCOC(=O)C(C)(C)C 62a_100000032063_100000210670 [1,1,0,0,0,0|2,0,0]=4 2073 B17R0.46 CCCCCCCCOCCOC(=O)C(C)(C)Br 34a_100009817195_100000210759 [1,1,0,0,0,0|2,0,0]=4 2074 B17R0.46 CCCCCCCCOCCOC(=O)C(C)(C)Br 7a_100009817195_100000210759 [1,1,0,0,0,0|2,0,0]=4 2075 B17R0.103 CCCCCCCCC(C)COCC(=O)C(C)C 34a_200012125181_100000753385 [1,1,0,0,0,0|2,0,0]=4 2076 B17R0.103 CCCCCCCCC(C)COCC(=O)C(C)C 7a_200012125181_100000753385 [1,1,0,0,0,0|2,0,0]=4 2077 B17R0.191 CCCCCCCCCCNC(C)C(=O)C(C)C 2230a_100000684558_100009893295 [1,1,0,0,0,0|2,0,0]=4 2078 B17R0.191 CCCCCCCCCCOC(C)C(=O)C(C)C 7a_100000210711_100009893295 [1,1,0,0,0,0|2,0,0]=4 2079 B17R0.191 CCCCCCCCCCSC(C)C(=O)C(C)C 62a_100009893295_100000210320 [1,1,0,0,0,0|2,0,0]=4 2080 B17R0.1705 C[C@@H](O)C(=O)CCCCCCCCCCC(=O)N 1458a_100000717761_200010167045 [1,1,0,0,0,0|1,0,1]=4 2081 B17R0.1705 C[C@H](O)C(=O)CCCCCCCCCCC(=O)N 1458a_217856618621_200010167045 [1,1,0,0,0,0|1,0,1]=4 2082 B17R0.3111 CCCCCCCCCC(=O)COC(=O)C(C)C 1458a_100000210558_100000139345 [1,1,0,0,0,0|1,0,1]=4 2083 B17R0.3111 CCCCCCCCCC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_200010990708 [1,1,0,0,0,0|1,0,1]=4 2084 B17R0.3111 CCCCCCCCCC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_200010990708 [1,1,0,0,0,0|1,0,1]=4 2085 B17R0.3111 CCCCCCCCCC(C)OCC(=O)C(C)C 34a_100011218016_100000753385 [1,1,0,0,0,0|2,0,0]=4 2086 B17R0.3111 CCCCCCCCCC(C)OCC(=O)C(C)C 7a_100011218016_100000753385 [1,1,0,0,0,0|2,0,0]=4 2087 B17R0.3169 CCOC(=O)CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010175975 [1,1,0,0,0,0|1,0,1]=4 2088 B17R0.3169 CCOC(=O)CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100010175975 [1,1,0,0,0,0|1,0,1]=4 2089 B17R0.11647 COC(=O)CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009813843 [1,1,0,0,0,0|1,0,1]=4 2090 B17R0.11647 COC(=O)CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009813843 [1,1,0,0,0,0|1,0,1]=4 2091 B17R0.13610 CCCCCCCCCCC(=O)CC(=O)C(C)C 1458a_100000210375_100000753385 [1,1,0,0,0,0|1,0,1]=4 2092 B17R0.13610 CCCCCCCCCCN(C)CC(=O)C(C)C 2230a_100000207566_100000753385 [1,1,0,0,0,0|2,0,0]=4 2093 B17R0.13610 CCCCCCCCCCN(C)CC(=O)C(C)C 269982a_100000207566_100000753385 [1,1,0,0,0,0|2,0,0]=4 2094 B17R0.43 CC(Br)COCCCCCCCCCCCCO 34a_100012180447_100009813331 [1,1,0,0,0,0|1,0,1]=4 2095 B17R0.43 CC(C)COCCCCCCCCCCCCBr 34a_100009813331_100000210624 [1,1,0,0,0,0|1,0,1]=4 2096 B17R0.43 CC(C)COCCCCCCCCCCCCBr 7a_100009813331_100000210760 [1,1,0,0,0,0|1,0,1]=4 2097 B17R0.43 CC(C)COCCCCCCCCCCCCN 34a_100000066677_100000210624 [1,1,0,0,0,0|1,0,1]=4 2098 B17R0.43 CC(C)COCCCCCCCCCCCCO 34a_100000210257_100009813331 [1,1,0,0,0,0|1,0,1]=4 2099 B17R0.43 CC(F)COCCCCCCCCCCCCO 34a_100015925927_100009813331 [1,1,0,0,0,0|1,0,1]=4 2100 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 34a_100009812471_100012276601 [1,1,0,0,0,0|1,0,1]=4 2101 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 7a_100009812471_100012276601 [1,1,0,0,0,0|1,0,1]=4 2102 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000066677_100011218427 [1,1,0,0,0,0|1,0,1]=4 2103 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000210904_100009813331 [1,1,0,0,0,0|1,0,1]=4 2104 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000066677_100011218427 [1,1,0,0,0,0|1,0,1]=4 2105 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000210904_100009813331 [1,1,0,0,0,0|1,0,1]=4 2106 B17R0.43 CC(O)COCCCCCCCCCCCCBr 34a_100009813331_100011218427 [1,1,0,0,0,0|0,0,1]=3 2107 B17R0.43 CC(O)COCCCCCCCCCCCCBr 7a_100009813331_100011218427 [1,1,0,0,0,0|0,0,1]=3 2108 B17R0.43 CC(O)COCCCCCCCCCCCCN 34a_100000066677_100011218427 [1,1,0,0,0,0|0,0,1]=3 2109 B17R0.43 CC(O)COCCCCCOCCCCCCCl 34a_200132310570_100011218427 [1,1,0,0,0,0|1,0,1]=4 2110 B17R0.43 CC(O)COCCCCCOCCCCCCCl 7a_200132310570_100011218427 [1,1,0,0,0,0|1,0,1]=4 2111 B17R0.43 CC(O)CSCCCCCCCCCCCCO 62a_100009813331_100011218427 [1,1,0,0,0,0|0,1,1]=4 2112 B17R0.43 CCCCCCCCCC/C=C/COCC(C)O 34a_200025761149_100011218427 [1,1,0,0,0,0|0,0,2]=4 2113 B17R0.43 CCCCCCCCCC/C=C/COCC(C)O 7a_200025761149_100011218427 [1,1,0,0,0,0|0,0,2]=4 2114 B17R0.43 CCCCCCCCCC/C=C/COC[C@@H](C)O 34a_200025761149_100009817552 [1,1,0,0,0,0|0,0,2]=4 2115 B17R0.43 CCCCCCCCCC/C=C/COC[C@@H](C)O 7a_200025761149_100009817552 [1,1,0,0,0,0|0,0,2]=4 2116 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100000210904_100000210684 [1,1,0,0,0,0|1,0,1]=4 2117 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100011215765_100011218427 [1,1,0,0,0,0|1,0,1]=4 2118 B17R0.43 CCCCCCCCCCCCCNCC(C)O 270004a_100000210904_200011215488 [1,1,0,0,0,0|1,0,1]=4 2119 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100000210904_100000210684 [1,1,0,0,0,0|1,0,1]=4 2120 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100011215765_100011218427 [1,1,0,0,0,0|1,0,1]=4 2121 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 2230a_100011215765_100009817552 [1,1,0,0,0,0|1,0,1]=4 2122 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 34a_100011215765_100009817552 [1,1,0,0,0,0|1,0,1]=4 2123 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000185773_100000210624 [1,1,0,0,0,0|1,0,1]=4 2124 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000210257_100000210684 [1,1,0,0,0,0|1,0,1]=4 2125 B17R0.43 CCCCCCCCCCCCCOCC(C)C 7a_100000185773_100000210760 [1,1,0,0,0,0|1,0,1]=4 2126 B17R0.43 CCCCCCCCCCCCCOCC(C)F 34a_100015925927_100000210684 [1,1,0,0,0,0|1,0,1]=4 2127 B17R0.43 CCCCCCCCCCCCCOCC(C)O 34a_100000185773_100011218427 [1,1,0,0,0,0|0,0,1]=3 2128 B17R0.43 CCCCCCCCCCCCCOCC(C)O 7a_100000185773_100011218427 [1,1,0,0,0,0|0,0,1]=3 2129 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210684 [1,1,0,0,0,0|1,0,1]=4 2130 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210684 [1,1,0,0,0,0|1,0,1]=4 2131 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 34a_100000185773_100009817552 [1,1,0,0,0,0|0,0,1]=3 2132 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 7a_100000185773_100009817552 [1,1,0,0,0,0|0,0,1]=3 2133 B17R0.43 CCCCCCCCCCCCCSCC(C)O 62a_100011218427_100011934334 [1,1,0,0,0,0|0,1,1]=4 2134 B17R0.43 CCCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011934334 [1,1,0,0,0,0|0,1,1]=4 2135 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_100000210451_100012276601 [1,1,0,0,0,0|1,0,1]=4 2136 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215052 [1,1,0,0,0,0|1,0,1]=4 2137 B17R0.43 CCCCCCCCCCCCNCCC(C)O 270004a_200000755665_100011218549 [1,1,0,0,0,0|1,0,1]=4 2138 B17R0.43 CCCCCCCCCCCCNCCC(C)O 34a_100000210451_100012276601 [1,1,0,0,0,0|1,0,1]=4 2139 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000210810_100000761012 [1,1,0,0,0,0|1,0,1]=4 2140 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000753907_100000759014 [1,1,0,0,0,0|1,0,1]=4 2141 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 7a_100000210810_100000761012 [1,1,0,0,0,0|1,0,1]=4 2142 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210254_100000759014 [1,1,0,0,0,0|1,0,1]=4 2143 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210810_100000210312 [1,1,0,0,0,0|1,0,1]=4 2144 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210254_100000759014 [1,1,0,0,0,0|1,0,1]=4 2145 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210810_100000210626 [1,1,0,0,0,0|1,0,1]=4 2146 B17R0.43 CCCCCCCCCCCCOCCC(C)O 34a_100000210810_100012276601 [1,1,0,0,0,0|0,0,1]=3 2147 B17R0.43 CCCCCCCCCCCCOCCC(C)O 7a_100000210810_100012276601 [1,1,0,0,0,0|0,0,1]=3 2148 B17R0.43 CCCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000759014 [1,1,0,0,0,0|1,0,1]=4 2149 B17R0.43 CCCCCCCCCCCCOCOC(C)C 34a_100000210810_100000709892 [1,1,0,0,0,0|1,0,1]=4 2150 B17R0.43 CCCCCCCCCCCCSCCC(C)O 62a_100012276601_100000759014 [1,1,0,0,0,0|0,1,1]=4 2151 B17R0.43 CCCCCCCCCCCNCCCC(C)O 2230a_200011215754_200000718107 [1,1,0,0,0,0|1,0,1]=4 2152 B17R0.43 CCCCCCCCCCCNCCCC(C)O 34a_200011215754_200000718107 [1,1,0,0,0,0|1,0,1]=4 2153 B17R0.43 CCCCCCCCCCCOCCCC(C)O 34a_100000210809_200000718107 [1,1,0,0,0,0|1,0,1]=4 2154 B17R0.43 CCCCCCCCCCCOCCCC(C)O 7a_100000210809_200000718107 [1,1,0,0,0,0|1,0,1]=4 2155 B17R0.43 CCCCCCCCCCCSCCCC(C)O 62a_200000718107_100011215454 [1,1,0,0,0,0|1,0,1]=4 2156 B17R0.43 CCCCCCCCCCOCCOCC(C)C 34a_100000703358_100000210320 [1,1,0,0,0,0|1,0,1]=4 2157 B17R0.43 CCCCCCCCCCOCCOCC(C)C 7a_100000703358_100000210320 [1,1,0,0,0,0|1,0,1]=4 2158 B17R0.43 CCCCCCCCCCSCCOCC(C)C 34a_100011628728_100000210624 [1,1,0,0,0,0|1,0,1]=4 2159 B17R0.43 CCCCCCCCCCSCCOCC(C)C 7a_100011628728_100000210760 [1,1,0,0,0,0|1,0,1]=4 2160 B17R0.43 CCCCCCCCCCSCCOCC(C)O 34a_100011628728_100011218427 [1,1,0,0,0,0|0,0,1]=3 2161 B17R0.43 CCCCCCCCCCSCCOCC(C)O 7a_100011628728_100011218427 [1,1,0,0,0,0|0,0,1]=3 2162 B17R0.43 CCCCCCCCCCSCCOC[C@@H](C)O 34a_100011628728_100009817552 [1,1,0,0,0,0|0,0,1]=3 2163 B17R0.43 CCCCCCCCCCSCCOC[C@@H](C)O 7a_100011628728_100009817552 [1,1,0,0,0,0|0,0,1]=3 2164 B17R0.43 CCCCCCCCCNCCCOCC(C)C 2230a_100000205972_100011214924 [1,1,0,0,0,0|1,0,1]=4 2165 B17R0.43 CCCCCCCCCNCCCOCC(C)C 34a_100000205972_100011214924 [1,1,0,0,0,0|1,0,1]=4 2166 B17R0.43 CCOCCCCCCCCCOCCC(C)O 34a_100009875440_100012276601 [1,1,0,0,0,0|1,0,1]=4 2167 B17R0.43 CCOCCCCCCCCCOCCC(C)O 7a_100009875440_100012276601 [1,1,0,0,0,0|1,0,1]=4 2168 B17R0.43 C[C@@H](Cl)COCCCCCCCCCCCCO 34a_100016084084_100009813331 [1,1,0,0,0,0|1,0,1]=4 2169 B17R0.43 C[C@@H](N)COCCCCCCCCCCCCO 34a_100000737577_100009813331 [1,1,0,0,0,0|1,0,1]=4 2170 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 2230a_100000066677_100009817552 [1,1,0,0,0,0|1,0,1]=4 2171 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 34a_100000066677_100009817552 [1,1,0,0,0,0|1,0,1]=4 2172 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCBr 34a_100009813331_100009817552 [1,1,0,0,0,0|0,0,1]=3 2173 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCBr 7a_100009813331_100009817552 [1,1,0,0,0,0|0,0,1]=3 2174 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCN 34a_100000066677_100009817552 [1,1,0,0,0,0|0,0,1]=3 2175 B17R0.43 C[C@@H](O)COCCCCCOCCCCCCCl 34a_200132310570_100009817552 [1,1,0,0,0,0|1,0,1]=4 2176 B17R0.43 C[C@@H](O)COCCCCCOCCCCCCCl 7a_200132310570_100009817552 [1,1,0,0,0,0|1,0,1]=4 2177 B17R0.43 C[C@@H](O)CSCCCCCCCCCCCCO 62a_100009813331_100009817552 [1,1,0,0,0,0|0,1,1]=4 2178 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)O 1458a_100011215791_100011218427 [1,1,0,0,0,0|1,0,1]=4 2179 B17R0.116 CCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000759014 [1,1,0,0,0,0|1,0,1]=4 2180 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011215052 [1,1,0,0,0,0|1,0,1]=4 2181 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 2230a_100000227908_100011218427 [1,1,0,0,0,0|1,0,1]=4 2182 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000759014 [1,1,0,0,0,0|1,0,1]=4 2183 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 269982a_100000227908_100011218427 [1,1,0,0,0,0|1,0,1]=4 2184 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 270004a_100000227577_100011218549 [1,1,0,0,0,0|1,0,1]=4 2185 B17R0.116 CCCCCCCCCCCCN(C)C[C@@H](C)O 2230a_100000227908_100009817552 [1,1,0,0,0,0|1,0,1]=4 2186 B17R0.116 CCCCCCCCCCCCN(C)C[C@@H](C)O 269982a_100000227908_100009817552 [1,1,0,0,0,0|1,0,1]=4 2187 B17R0.192 CCCCCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011216755 [1,1,0,0,0,0|1,0,1]=4 2188 B17R0.192 CCCCCCCCCCCC(C)OCC(C)C 34a_100011217895_100000210624 [1,1,0,0,0,0|1,0,1]=4 2189 B17R0.192 CCCCCCCCCCCC(C)OCC(C)C 7a_100011217895_100000210760 [1,1,0,0,0,0|1,0,1]=4 2190 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 34a_100011217895_100011218427 [1,1,0,0,0,0|0,0,1]=3 2191 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 7a_100011217895_100011218427 [1,1,0,0,0,0|0,0,1]=3 2192 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 34a_100011217895_100009817552 [1,1,0,0,0,0|0,0,1]=3 2193 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 7a_100011217895_100009817552 [1,1,0,0,0,0|0,0,1]=3 2194 B17R0.197 CC(C)(O)COCCCCCCCCCCCBr 34a_100009812471_100000764493 [1,1,0,0,0,0|1,0,1]=4 2195 B17R0.197 CC(C)(O)COCCCCCCCCCCCBr 7a_100009812471_100000764493 [1,1,0,0,0,0|1,0,1]=4 2196 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 2230a_100000751335_100011215052 [1,1,0,0,0,0|1,0,1]=4 2197 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 270004a_100000751335_100011218549 [1,1,0,0,0,0|1,0,1]=4 2198 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 34a_100000210451_100000764493 [1,1,0,0,0,0|1,0,1]=4 2199 B17R0.197 CCCCCCCCCCCCOCC(C)(C)C 34a_100000210810_100011219605 [1,1,0,0,0,0|1,0,1]=4 2200 B17R0.197 CCCCCCCCCCCCOCC(C)(C)F 34a_100000210810_100011997219 [1,1,0,0,0,0|1,0,1]=4 2201 B17R0.197 CCCCCCCCCCCCOCC(C)(C)F 34a_100000716592_100000759014 [1,1,0,0,0,0|1,0,1]=4 2202 B17R0.197 CCCCCCCCCCCCOCC(C)(C)O 34a_100000210810_100000764493 [1,1,0,0,0,0|0,0,1]=3 2203 B17R0.197 CCCCCCCCCCCCOCC(C)(C)O 7a_100000210810_100000764493 [1,1,0,0,0,0|0,0,1]=3 2204 B17R0.197 CCCCCCCCCCCCOCC(C)(F)F 34a_100000068830_100000759014 [1,1,0,0,0,0|1,0,1]=4 2205 B17R0.197 CCCCCCCCCCCCSCC(C)(C)O 62a_100000764493_100000759014 [1,1,0,0,0,0|0,1,1]=4 2206 B17R0.197 CCOCCCCCCCCCOCC(C)(C)O 34a_100009875440_100000764493 [1,1,0,0,0,0|1,0,1]=4 2207 B17R0.197 CCOCCCCCCCCCOCC(C)(C)O 7a_100009875440_100000764493 [1,1,0,0,0,0|1,0,1]=4 2208 B19R0.33 CCCCCCCCCCCC(O)CC(=O)NC(C)C 1626a_100138425928_100000082106 [0,1,0,0,0,1|2,0,0]=4 2209 B19R0.33 CCCCCCCCCCCC(O)CC(=O)NC(C)C 240690a_100138425928_100000082106 [0,1,0,0,0,1|2,0,0]=4 2210 B19R0.33 CCCCCCCCCCOC(C)OC(=O)OC(C)C 7a_100000210711_100000067433 [0,1,0,0,0,1|2,0,0]=4 2211 B19R0.33 CCCCCCCCCCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210320 [0,1,0,0,0,1|2,0,0]=4 2212 B19R0.35 CC(C)CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000210554 [0,1,0,0,0,1|2,0,0]=4 2213 B19R0.35 CC(C)NC(=O)CCCCCCCCCCCCCO 240690a_100138425928_100020644313 [0,1,0,0,0,1|2,0,0]=4 2214 B19R0.35 CC(C)NC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000183996 [0,1,0,0,0,1|2,0,0]=4 2215 B19R0.35 CC(C)NC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000183996 [0,1,0,0,0,1|2,0,0]=4 2216 B19R0.35 CC(C)NC(=O)NCCCCCCCCCCCCO 2708a_100000066677_100138425928 [0,1,0,0,0,1|2,0,0]=4 2217 B19R0.35 CC(C)NC(=O)NCCCCCCCCCCCCO 2708a_100138425928_100000066677 [0,1,0,0,0,1|2,0,0]=4 2218 B19R0.35 CC(C)NC(=O)NCCCCCCCCCCCCO 273464a_100138425928_100000066677 [0,1,0,0,0,1|2,0,0]=4 2219 B19R0.35 CC(C)NC(=O)NCCCCCCCCCCCCO 512a_100000066677_100138425928 [0,1,0,0,0,1|2,0,0]=4 2220 B19R0.35 CC(C)NC(=O)NCCCCCCCCCCCCO 512a_100138425928_100000066677 [0,1,0,0,0,1|2,0,0]=4 2221 B19R0.35 CC(C)OC(=O)COCCCCCCCCCCCBr 34a_100009812471_100011215430 [0,1,0,0,0,1|2,0,0]=4 2222 B19R0.35 CC(C)OC(=O)COCCCCCCCCCCCBr 7a_100009812471_100011215430 [0,1,0,0,0,1|2,0,0]=4 2223 B19R0.35 CC(C)OC(=O)OCSCCCCCCCCCCO 62a_100000003507_200000033068 [0,1,0,0,0,1|2,0,0]=4 2224 B19R0.35 CC(C)OC(=O)OCSCCCCCCCCCCO 62a_100009813290_100000003507 [0,1,0,0,0,1|2,0,0]=4 2225 B19R0.35 CCCCCCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000297455 [0,1,0,0,0,1|2,0,0]=4 2226 B19R0.35 CCCCCCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000297455 [0,1,0,0,0,1|2,0,0]=4 2227 B19R0.35 CCCCCCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000297455 [0,1,0,0,0,1|2,0,0]=4 2228 B19R0.35 CCCCCCCCCCCCCNC(=O)CC(C)C 11a_100011215765_100000210554 [0,1,0,0,0,1|2,0,0]=4 2229 B19R0.35 CCCCCCCCCCCCCNC(=O)CC(C)C 1626a_100011215765_100000210554 [0,1,0,0,0,1|2,0,0]=4 2230 B19R0.35 CCCCCCCCCCCCCNC(=O)CC(C)C 240690a_100011215765_100000210554 [0,1,0,0,0,1|2,0,0]=4 2231 B19R0.35 CCCCCCCCCCCCCNC(=O)CC(C)C 527a_100011215765_100000210554 [0,1,0,0,0,1|2,0,0]=4 2232 B19R0.35 CCCCCCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100011215765_100011933948 [0,1,0,0,0,1|1,0,0]=3 2233 B19R0.35 CCCCCCCCCCCCCNC(=O)NC(C)C 2708a_100011215765_100138425928 [0,1,0,0,0,1|2,0,0]=4 2234 B19R0.35 CCCCCCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100011215765 [0,1,0,0,0,1|2,0,0]=4 2235 B19R0.35 CCCCCCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100011215765 [0,1,0,0,0,1|2,0,0]=4 2236 B19R0.35 CCCCCCCCCCCCCNC(=O)NC(C)C 512a_100011215765_100138425928 [0,1,0,0,0,1|2,0,0]=4 2237 B19R0.35 CCCCCCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100011215765 [0,1,0,0,0,1|2,0,0]=4 2238 B19R0.35 CCCCCCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100011215052 [0,1,0,0,0,1|2,0,0]=4 2239 B19R0.35 CCCCCCCCCCCCNCC(=O)NC(C)C 2230a_100000210451_100000183996 [0,1,0,0,0,1|2,0,0]=4 2240 B19R0.35 CCCCCCCCCCCCNCC(=O)NC(C)C 270004a_100000168517_100011218549 [0,1,0,0,0,1|2,0,0]=4 2241 B19R0.35 CCCCCCCCCCCCNCC(=O)NC(C)C 34a_100000210451_100000183996 [0,1,0,0,0,1|2,0,0]=4 2242 B19R0.35 CCCCCCCCCCCCNCC(=O)OC(C)C 2230a_100000210451_100011215430 [0,1,0,0,0,1|2,0,0]=4 2243 B19R0.35 CCCCCCCCCCCCNCC(=O)OC(C)C 34a_100000210451_100011215430 [0,1,0,0,0,1|2,0,0]=4 2244 B19R0.35 CCCCCCCCCCCCOCC(=O)NC(=O)C 7a_100000210810_100000183797 [0,1,0,0,0,1|0,0,2]=4 2245 B19R0.35 CCCCCCCCCCCCOCC(=O)NC(C)C 34a_100000210810_100000183996 [0,1,0,0,0,1|1,0,0]=3 2246 B19R0.35 CCCCCCCCCCCCOCC(=O)NC(C)C 7a_100000210810_100000183996 [0,1,0,0,0,1|1,0,0]=3 2247 B19R0.35 CCCCCCCCCCCCOCC(=O)OC(C)C 34a_100000210810_100011215430 [0,1,0,0,0,1|1,0,0]=3 2248 B19R0.35 CCCCCCCCCCCCOCC(=O)OC(C)C 7a_100000210810_100011215430 [0,1,0,0,0,1|1,0,0]=3 2249 B19R0.35 CCCCCCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000759014 [0,1,0,0,0,1|1,1,0]=4 2250 B19R0.35 CCCCCCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000759014 [0,1,0,0,0,1|1,1,0]=4 2251 B19R0.35 CCCCCCCCCCCNCCC(=O)NC(C)C 2230a_200011215754_100000737564 [0,1,0,0,0,1|2,0,0]=4 2252 B19R0.35 CCCCCCCCCCCNCCC(=O)OC(C)C 2230a_200011215754_100000760027 [0,1,0,0,0,1|2,0,0]=4 2253 B19R0.35 CCCCCCCCCCCOCCC(=O)NC(C)C 7a_100000210809_100000737564 [0,1,0,0,0,1|2,0,0]=4 2254 B19R0.35 CCCCCCCCCCCOCCC(=O)OC(C)C 7a_100000210809_100000760027 [0,1,0,0,0,1|2,0,0]=4 2255 B19R0.35 CCCCCCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100011215454 [0,1,0,0,0,1|2,0,0]=4 2256 B19R0.35 CCCCCCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100011215454 [0,1,0,0,0,1|2,0,0]=4 2257 B19R0.35 CCCCCCCCCCCSCOC(=O)OC(C)C 62a_100000003507_100011215454 [0,1,0,0,0,1|1,0,0]=3 2258 B19R0.35 CCCCCCCCCCNCCOC(=O)CC(=O)C 34a_100000684558_100000102702 [0,1,0,0,0,1|0,0,2]=4 2259 B19R0.35 CCCCCCCCCCOCCOC(=O)CC(=O)C 34a_100000210711_100000102702 [0,1,0,0,0,1|0,0,2]=4 2260 B19R0.35 CCCCCCCCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210320 [0,1,0,0,0,1|0,0,2]=4 2261 B19R0.35 CCCCCCCCNCCCCCC(=O)OC(C)C 2230a_100000229939_200010986244 [0,1,0,0,0,1|2,0,0]=4 2262 B19R0.35 CCCCCCCCNCCCCCC(=O)OC(C)C 34a_100000229939_200010986244 [0,1,0,0,0,1|2,0,0]=4 2263 B19R0.35 CCCCCCCCOCCCCCC(=O)OC(C)C 34a_100000210232_200010986244 [0,1,0,0,0,1|2,0,0]=4 2264 B19R0.35 CCCCCCCCOCCCCCC(=O)OC(C)C 7a_100000210232_200010986244 [0,1,0,0,0,1|2,0,0]=4 2265 B19R0.35 CCCCCCCCSCCCCCC(=O)OC(C)C 62a_100000210759_200010986244 [0,1,0,0,0,1|2,0,0]=4 2266 B19R0.35 CCCCCCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210317 [0,1,0,0,0,1|2,0,0]=4 2267 B19R0.35 CCOCCCCCCCCCOCC(=O)NC(C)C 34a_100009875440_100000183996 [0,1,0,0,0,1|2,0,0]=4 2268 B19R0.35 CCOCCCCCCCCCOCC(=O)NC(C)C 7a_100009875440_100000183996 [0,1,0,0,0,1|2,0,0]=4 2269 B19R0.35 CCOCCCCCCCCCOCC(=O)OC(C)C 34a_100009875440_100011215430 [0,1,0,0,0,1|2,0,0]=4 2270 B19R0.35 CCOCCCCCCCCCOCC(=O)OC(C)C 7a_100009875440_100011215430 [0,1,0,0,0,1|2,0,0]=4 2271 B19R0.35 C[C@@H](O)CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100011933948 [0,1,0,0,0,1|1,0,0]=3 2272 B19R0.3096 C#CC(C)NC(=O)CCCCCCCCCCCCC 11a_100000707721_100000756256 [0,1,0,0,0,1|2,0,0]=4 2273 B19R0.3096 C#CC(C)NC(=O)CCCCCCCCCCCCC 1626a_100000707721_100000756256 [0,1,0,0,0,1|2,0,0]=4 2274 B19R0.3096 C#CC(C)NC(=O)CCCCCCCCCCCCC 240690a_100000707721_100000756256 [0,1,0,0,0,1|2,0,0]=4 2275 B19R0.3096 C#CC(C)NC(=O)NCCCCCCCCCCCC 2708a_100000210451_100000707721 [0,1,0,0,0,1|2,0,0]=4 2276 B19R0.3096 C#CC(C)NC(=O)NCCCCCCCCCCCC 2708a_100000707721_100000210451 [0,1,0,0,0,1|2,0,0]=4 2277 B19R0.3096 C#CC(C)NC(=O)NCCCCCCCCCCCC 273464a_100000210451_100000707721 [0,1,0,0,0,1|2,0,0]=4 2278 B19R0.3096 C#CC(C)NC(=O)NCCCCCCCCCCCC 273464a_100000707721_100000210451 [0,1,0,0,0,1|2,0,0]=4 2279 B19R0.3096 C#CC(C)NC(=O)NCCCCCCCCCCCC 512a_100000210451_100000707721 [0,1,0,0,0,1|2,0,0]=4 2280 B19R0.3096 C#CC(C)NC(=O)NCCCCCCCCCCCC 512a_100000707721_100000210451 [0,1,0,0,0,1|2,0,0]=4 2281 B19R0.3096 C=CC(C)CC(=O)NCCCCCCCCCCCC 11a_100000210451_100011934298 [0,1,0,0,0,1|2,0,0]=4 2282 B19R0.3096 C=CC(C)CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100011934298 [0,1,0,0,0,1|2,0,0]=4 2283 B19R0.3096 C=CC(C)CC(=O)NCCCCCCCCCCCC 240690a_100000210451_100011934298 [0,1,0,0,0,1|2,0,0]=4 2284 B19R0.3096 C=CC(C)CC(=O)NCCCCCCCCCCCC 527a_100000210451_100011934298 [0,1,0,0,0,1|2,0,0]=4 2285 B19R0.3096 CCCCCCCCCCCCCC(=O)NC(C)C#N 11a_100000737613_100000756256 [0,1,0,0,0,1|2,0,0]=4 2286 B19R0.3096 CCCCCCCCCCCCCC(=O)NC(C)C#N 1626a_100000737613_100000756256 [0,1,0,0,0,1|2,0,0]=4 2287 B19R0.3096 CCCCCCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000756256 [0,1,0,0,0,1|2,0,0]=4 2288 B19R0.3096 CCCCCCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000756256 [0,1,0,0,0,1|2,0,0]=4 2289 B19R0.3096 CCCCCCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000756256 [0,1,0,0,0,1|2,0,0]=4 2290 B19R0.3096 CCCCCCCCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000756256 [0,1,0,0,0,1|2,0,0]=4 2291 B19R0.3096 CCCCCCCCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000756256 [0,1,0,0,0,1|2,0,0]=4 2292 B19R0.3096 CCCCCCCCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000756256 [0,1,0,0,0,1|2,0,0]=4 2293 B19R0.3096 CCCCCCCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000756256 [0,1,0,0,0,1|1,0,0]=3 2294 B19R0.3096 CCCCCCCCCCCCNC(=O)CC(C)CC 11a_100000210451_100000708755 [0,1,0,0,0,1|2,0,0]=4 2295 B19R0.3096 CCCCCCCCCCCCNC(=O)CC(C)CC 1626a_100000210451_100000708755 [0,1,0,0,0,1|2,0,0]=4 2296 B19R0.3096 CCCCCCCCCCCCNC(=O)CC(C)CC 240690a_100000210451_100000708755 [0,1,0,0,0,1|2,0,0]=4 2297 B19R0.3096 CCCCCCCCCCCCNC(=O)CC(C)CC 527a_100000210451_100000708755 [0,1,0,0,0,1|2,0,0]=4 2298 B19R0.3096 CCCCCCCCCCCCNC(=O)CC(O)CC 1626a_100000210451_100011667805 [0,1,0,0,0,1|1,0,0]=3 2299 B19R0.3096 CCCCCCCCCCCCNC(=O)CC(O)CC 240690a_100000210451_100011667805 [0,1,0,0,0,1|1,0,0]=3 2300 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)C#N 2708a_100000210451_100000737613 [0,1,0,0,0,1|2,0,0]=4 2301 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)C#N 2708a_100000737613_100000210451 [0,1,0,0,0,1|2,0,0]=4 2302 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)C#N 273464a_100000210451_100000737613 [0,1,0,0,0,1|2,0,0]=4 2303 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)C#N 273464a_100000737613_100000210451 [0,1,0,0,0,1|2,0,0]=4 2304 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)C#N 512a_100000210451_100000737613 [0,1,0,0,0,1|2,0,0]=4 2305 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)C#N 512a_100000737613_100000210451 [0,1,0,0,0,1|2,0,0]=4 2306 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)CC 2708a_100000209981_100000210451 [0,1,0,0,0,1|2,0,0]=4 2307 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)CC 2708a_100000210451_100000209981 [0,1,0,0,0,1|2,0,0]=4 2308 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)CC 273464a_100000209981_100000210451 [0,1,0,0,0,1|2,0,0]=4 2309 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)CC 273464a_100000210451_100000209981 [0,1,0,0,0,1|2,0,0]=4 2310 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)CC 512a_100000209981_100000210451 [0,1,0,0,0,1|2,0,0]=4 2311 B19R0.3096 CCCCCCCCCCCCNC(=O)NC(C)CC 512a_100000210451_100000209981 [0,1,0,0,0,1|2,0,0]=4 2312 B19R0.3096 CCCCCCCCCCCCNC(=O)N[C@H](C)CF 2708a_100000210451_100102880703 [0,1,0,0,0,1|2,0,0]=4 2313 B19R0.3096 CCCCCCCCCCCCNC(=O)N[C@H](C)CF 273464a_100000210451_100102880703 [0,1,0,0,0,1|2,0,0]=4 2314 B19R0.3096 CCCCCCCCCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000210451 [0,1,0,0,0,1|2,0,0]=4 2315 B19R0.3096 CCCCCCCCCCCCNC(=O)N[C@H](C)CF 512a_100000210451_100102880703 [0,1,0,0,0,1|2,0,0]=4 2316 B19R0.3096 CCCCCCCCCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000210451 [0,1,0,0,0,1|2,0,0]=4 2317 B19R0.3096 CCCCCCCCCCCCNC(=O)N[C@H](C)CO 2708a_100000210451_100000737577 [0,1,0,0,0,1|1,0,0]=3 2318 B19R0.3096 CCCCCCCCCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000210451 [0,1,0,0,0,1|1,0,0]=3 2319 B19R0.3096 CCCCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000210451_100000737577 [0,1,0,0,0,1|1,0,0]=3 2320 B19R0.3096 CCCCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000210451 [0,1,0,0,0,1|1,0,0]=3 2321 B19R0.3096 C[C@H](CO)NC(=O)CCCCCCCCCCCCO 240690a_100000737577_100102582631 [0,1,0,0,0,1|2,0,0]=4 2322 B19R0.3108 CC(C)(O)CC(=O)CCCCCCCCCCCCO 1458a_100000693243_100009813331 [0,1,0,0,0,1|2,0,0]=4 2323 B19R0.3108 CCCCCCCCCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210684 [0,1,0,0,0,1|1,0,0]=3 2324 B19R0.3108 CCCCCCCCCCCCCC(=O)NC(C)(C)C 11a_100000715429_100000756256 [0,1,0,0,0,1|2,0,0]=4 2325 B19R0.3108 CCCCCCCCCCCCCC(=O)NC(C)(C)C 1626a_100000715429_100000756256 [0,1,0,0,0,1|2,0,0]=4 2326 B19R0.3108 CCCCCCCCCCCCCC(=O)NC(C)(C)C 240690a_100000715429_100000756256 [0,1,0,0,0,1|2,0,0]=4 2327 B19R0.3108 CCCCCCCCCCCCNC(=O)CC(C)(C)C 11a_100000210451_100000211214 [0,1,0,0,0,1|2,0,0]=4 2328 B19R0.3108 CCCCCCCCCCCCNC(=O)CC(C)(C)C 1626a_100000210451_100000211214 [0,1,0,0,0,1|2,0,0]=4 2329 B19R0.3108 CCCCCCCCCCCCNC(=O)CC(C)(C)C 240690a_100000210451_100000211214 [0,1,0,0,0,1|2,0,0]=4 2330 B19R0.3108 CCCCCCCCCCCCNC(=O)CC(C)(C)C 527a_100000210451_100000211214 [0,1,0,0,0,1|2,0,0]=4 2331 B19R0.3108 CCCCCCCCCCCCNC(=O)CC(C)(C)O 527a_100000210451_100000693243 [0,1,0,0,0,1|1,0,0]=3 2332 B19R0.3108 CCCCCCCCCCCCNC(=O)NC(C)(C)C 2708a_100000210451_100000715429 [0,1,0,0,0,1|2,0,0]=4 2333 B19R0.3108 CCCCCCCCCCCCNC(=O)NC(C)(C)C 273464a_100000210451_100000715429 [0,1,0,0,0,1|2,0,0]=4 2334 B19R0.3108 CCCCCCCCCCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000210451 [0,1,0,0,0,1|2,0,0]=4 2335 B19R0.3108 CCCCCCCCCCCCNC(=O)NC(C)(C)C 512a_100000715429_100000210451 [0,1,0,0,0,1|2,0,0]=4 2336 B19R0.3108 CCCCCCCCCCNCOC(=O)CC(C)(C)C 2230a_100000684558_200010999194 [0,1,0,0,0,1|2,0,0]=4 2337 B19R0.3108 CCCCCCCCCCNCOC(=O)CC(C)(C)C 34a_100000684558_200010999194 [0,1,0,0,0,1|2,0,0]=4 2338 B19R0.3108 CCCCCCCCCCOCOC(=O)CC(C)(C)C 34a_100000210711_200010999194 [0,1,0,0,0,1|2,0,0]=4 2339 B19R0.3108 CCCCCCCCCCOCOC(=O)CC(C)(C)C 7a_100000210711_200010999194 [0,1,0,0,0,1|2,0,0]=4 2340 B19R0.3108 CCCCCCCCCCSCOC(=O)CC(C)(C)C 62a_200010999194_100000210320 [0,1,0,0,0,1|2,0,0]=4 2341 B19R0.23230 CCCCCCCCCCC(=O)COC(=O)OC(C)C 1458a_100000210375_100000003507 [0,1,0,0,0,1|1,0,1]=4 2342 B19R0.23230 CCCCCCCCCCN(C)COC(=O)OC(C)C 269982a_100000207566_100010125566 [0,1,0,0,0,1|2,0,0]=4 2343 B19R0.25647 CCCCCCCCCCCCCC(=O)N(C)C(C)C 11a_200000211004_100000756256 [0,1,0,0,0,1|2,0,0]=4 2344 B19R0.25647 CCCCCCCCCCCCCC(=O)N(C)C(C)C 1626a_200000211004_100000756256 [0,1,0,0,0,1|2,0,0]=4 2345 B19R0.25647 CCCCCCCCCCCCCC(=O)N(C)C(C)C 240690a_200000211004_100000756256 [0,1,0,0,0,1|2,0,0]=4 2346 B19R0.25647 CCCCCCCCCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210684 [0,1,0,0,0,1|2,0,0]=4 2347 B19R0.25647 CCCCCCCCCCCCNC(=O)C(C)C(C)C 11a_100000210451_100000755409 [0,1,0,0,0,1|2,0,0]=4 2348 B19R0.25647 CCCCCCCCCCCCNC(=O)C(C)C(C)C 1626a_100000210451_100000755409 [0,1,0,0,0,1|2,0,0]=4 2349 B19R0.25647 CCCCCCCCCCCCNC(=O)C(C)C(C)C 240690a_100000210451_100000755409 [0,1,0,0,0,1|2,0,0]=4 2350 B19R0.25647 CCCCCCCCCCCCNC(=O)C(C)C(C)C 527a_100000210451_100000755409 [0,1,0,0,0,1|2,0,0]=4 2351 B19R0.25647 CCCCCCCCCCCCNC(=O)N(C)C(C)C 2708a_100000210451_200000211004 [0,1,0,0,0,1|2,0,0]=4 2352 B19R0.25647 CCCCCCCCCCCCNC(=O)N(C)C(C)C 273464a_100000210451_200000211004 [0,1,0,0,0,1|2,0,0]=4 2353 B19R0.25647 CCCCCCCCCCCCNC(=O)[C@H](O)C(C)C 240690a_100000210451_100000691806 [0,1,0,0,0,1|2,0,0]=4 2354 B19R0.26627 CCCCCCCCCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000759014 [0,1,0,0,0,1|2,0,0]=4 2355 B19R0.26627 CCCCCCCCCCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011217028 [0,1,0,0,0,1|1,0,0]=3 2356 B19R0.26627 CCCCCCCCCCCCN(C)C(=O)CC(C)C 11a_100000227908_100000210554 [0,1,0,0,0,1|2,0,0]=4 2357 B19R0.26627 CCCCCCCCCCCCN(C)C(=O)CC(C)C 1626a_100000227908_100000210554 [0,1,0,0,0,1|2,0,0]=4 2358 B19R0.26627 CCCCCCCCCCCCN(C)C(=O)CC(C)C 240690a_100000227908_100000210554 [0,1,0,0,0,1|2,0,0]=4 2359 B19R0.26627 CCCCCCCCCCCCN(C)C(=O)CC(C)C 527a_100000227908_100000210554 [0,1,0,0,0,1|2,0,0]=4 2360 B19R0.26627 CCCCCCCCCCCCN(C)C(=O)C[C@@H](C)O 240690a_100000227908_100011933948 [0,1,0,0,0,1|1,0,0]=3 2361 B19R0.26627 CCCCCCCCCCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000227908 [0,1,0,0,0,1|2,0,0]=4 2362 B19R0.26627 CCCCCCCCCCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000227908 [0,1,0,0,0,1|2,0,0]=4 2363 B19R0.3057 C=C(C)C(=O)OCCCCOC(C)CCCCCCC 7a_100000065474_200011218727 [0,2,0,0,0,0|1,0,1]=4 2364 B19R0.69 C=C(C)C(=O)OCCOCC(C)CCCCCCCC 34a_200012125181_100009816335 [0,2,0,0,0,0|1,0,1]=4 2365 B19R0.69 C=C(C)C(=O)OCCOCC(C)CCCCCCCC 7a_200012125181_100009816335 [0,2,0,0,0,0|1,0,1]=4 2366 B19R0.69 CCCCCCCCC(C)CNCCNC(=O)C(C)C 270004a_100000752568_100011995885 [0,2,0,0,0,0|2,0,0]=4 2367 B19R0.153 C=C(C)C(=O)OCCCCCCNCCCCCCC 2230a_100000229938_200010402237 [0,2,0,0,0,0|1,0,1]=4 2368 B19R0.153 C=C(C)C(=O)OCCCCCCNCCCCCCO 2230a_100000686447_200010402237 [0,2,0,0,0,0|1,0,1]=4 2369 B19R0.153 C=C(C)C(=O)OCCCCCCNCCCCCCO 34a_100000686447_200010402237 [0,2,0,0,0,0|1,0,1]=4 2370 B19R0.153 C=C(C)C(=O)OCCCCCCNCCCCCOC 2230a_100000747528_200010402237 [0,2,0,0,0,0|1,0,1]=4 2371 B19R0.153 C=C(C)C(=O)OCCCCCCNCCCCCOC 34a_100000747528_200010402237 [0,2,0,0,0,0|1,0,1]=4 2372 B19R0.153 C=C(C)C(=O)OCCCCCCNCCCOCCC 2230a_100011217757_200010402237 [0,2,0,0,0,0|1,0,1]=4 2373 B19R0.153 C=C(C)C(=O)OCCCCCCNCCCOCCC 34a_100011217757_200010402237 [0,2,0,0,0,0|1,0,1]=4 2374 B19R0.153 C=C(C)C(=O)OCCCCCCNCCSCCCC 2230a_100025743550_200010402237 [0,2,0,0,0,0|1,0,1]=4 2375 B19R0.153 C=C(C)C(=O)OCCCCCCOCCCCCCBr 34a_100011215345_200010402237 [0,2,0,0,0,0|1,0,1]=4 2376 B19R0.153 C=C(C)C(=O)OCCCCCCOCCCCCCBr 7a_100011215345_200010402237 [0,2,0,0,0,0|1,0,1]=4 2377 B19R0.153 C=C(C)C(=O)OCCCCCCOCCCCCCC 34a_100000210272_200010402237 [0,2,0,0,0,0|1,0,1]=4 2378 B19R0.153 C=C(C)C(=O)OCCCCCCOCCCCCCC 7a_100000210272_200010402237 [0,2,0,0,0,0|1,0,1]=4 2379 B19R0.153 C=C(C)C(=O)OCCCCCCOCCCCCCCl 34a_100000766143_200010402237 [0,2,0,0,0,0|1,0,1]=4 2380 B19R0.153 C=C(C)C(=O)OCCCCCCOCCCCCCCl 7a_100000766143_200010402237 [0,2,0,0,0,0|1,0,1]=4 2381 B19R0.153 C=C(C)C(=O)OCCCCCCOCCCCCCF 34a_100000732779_200010402237 [0,2,0,0,0,0|1,0,1]=4 2382 B19R0.153 C=C(C)C(=O)OCCCCCCOCCCCCCF 7a_100000732779_200010402237 [0,2,0,0,0,0|1,0,1]=4 2383 B19R0.153 C=C(C)C(=O)OCCCCCCOCCCCCCN 34a_100000686447_200010402237 [0,2,0,0,0,0|1,0,1]=4 2384 B19R0.153 C=C(C)C(=O)OCCCCCCOCCCCCNC 34a_100000722520_200010402237 [0,2,0,0,0,0|1,0,1]=4 2385 B19R0.153 C=C(C)C(=O)OCCCCCCOCCOCCCC 34a_100000210238_200010402237 [0,2,0,0,0,0|1,0,1]=4 2386 B19R0.153 C=C(C)C(=O)OCCCCCCOCCOCCCC 7a_100000210238_200010402237 [0,2,0,0,0,0|1,0,1]=4 2387 B19R0.153 C=C(C)C(=O)OCCCCCCOCCSCCCC 34a_200000230436_200010402237 [0,2,0,0,0,0|1,0,1]=4 2388 B19R0.153 C=C(C)C(=O)OCCCCCCOCCSCCCC 7a_200000230436_200010402237 [0,2,0,0,0,0|1,0,1]=4 2389 B19R0.153 C=C(C)C(=O)OCCCCCCSCCCCCCC 62a_100000210614_200010402237 [0,2,0,0,0,0|1,0,1]=4 2390 B19R0.153 C=C(C)C(=O)OCCCCCCSCCCCCCC 62a_200010402237_100000210316 [0,2,0,0,0,0|1,0,1]=4 2391 B19R0.153 C=C(C)C(=O)OCCCCCCSCCCCCCF 62a_100015922095_200010402237 [0,2,0,0,0,0|1,0,1]=4 2392 B19R0.153 C=C(C)C(=O)OCCCCCCSCCCCCCF 62a_200010402237_100015922095 [0,2,0,0,0,0|1,0,1]=4 2393 B19R0.153 C=C(C)C(=O)OCCCCCCSCCCCCCO 62a_100000766143_200010402237 [0,2,0,0,0,0|1,0,1]=4 2394 B19R0.153 C=C(C)C(=O)OCCCCCCSCCCCCCO 62a_200010402237_100000766143 [0,2,0,0,0,0|1,0,1]=4 2395 B19R0.153 C=C(C)C(=O)OCCCCCCSCCOCCCC 62a_100000743108_200010402237 [0,2,0,0,0,0|1,0,1]=4 2396 B19R0.153 C=C(C)C(=O)OCCCCCCSCCOCCCC 62a_200010402237_100000743108 [0,2,0,0,0,0|1,0,1]=4 2397 B19R0.153 C=C(C)C(=O)OCCCCOCCCCCCCCC 7a_100000065474_100000210328 [0,2,0,0,0,0|1,0,1]=4 2398 B19R0.153 C=C(C)C(=O)OCCCCOCCCCCCCCO 7a_100000065474_100000033203 [0,2,0,0,0,0|1,0,1]=4 2399 B19R0.153 C=C(C)C(=O)OCCCOCCCCCCCCCC 7a_100000032641_100000210320 [0,2,0,0,0,0|1,0,1]=4 2400 B19R0.153 C=C(C)C(=O)OCCCOCCCCCCCCCO 7a_100000032641_100009813782 [0,2,0,0,0,0|1,0,1]=4 2401 B19R0.153 C=C(C)C(=O)OCCNCCCCCCCCCCC 2230a_200011215754_100009816335 [0,2,0,0,0,0|1,0,1]=4 2402 B19R0.153 C=C(C)C(=O)OCCNCCCCCCCCCCC 34a_200011215754_100009816335 [0,2,0,0,0,0|1,0,1]=4 2403 B19R0.153 C=C(C)C(=O)OCCNCCCCCCCCCCO 2230a_100000066964_100009816335 [0,2,0,0,0,0|1,0,1]=4 2404 B19R0.153 C=C(C)C(=O)OCCNCCCCCCCCCCO 34a_100000066964_100009816335 [0,2,0,0,0,0|1,0,1]=4 2405 B19R0.153 C=C(C)C(=O)OCCOCCCCCCCCCCBr 34a_100009813290_100009816335 [0,2,0,0,0,0|1,0,1]=4 2406 B19R0.153 C=C(C)C(=O)OCCOCCCCCCCCCCBr 7a_100009813290_100009816335 [0,2,0,0,0,0|1,0,1]=4 2407 B19R0.153 C=C(C)C(=O)OCCOCCCCCCCCCCC 34a_100000210809_100009816335 [0,2,0,0,0,0|1,0,1]=4 2408 B19R0.153 C=C(C)C(=O)OCCOCCCCCCCCCCC 7a_100000210809_100009816335 [0,2,0,0,0,0|1,0,1]=4 2409 B19R0.153 C=C(C)C(=O)OCCOCCCCCCCCCCCl 34a_200000033068_100009816335 [0,2,0,0,0,0|1,0,1]=4 2410 B19R0.153 C=C(C)C(=O)OCCOCCCCCCCCCCCl 7a_200000033068_100009816335 [0,2,0,0,0,0|1,0,1]=4 2411 B19R0.153 C=C(C)C(=O)OCCOCCCCCCCCCCN 34a_100000066964_100009816335 [0,2,0,0,0,0|1,0,1]=4 2412 B19R0.153 C=C(C)C(=O)OCCSCCCCCCCCCCC 62a_100009816335_100011215454 [0,2,0,0,0,0|1,0,1]=4 2413 B19R0.153 C=C(C)C(=O)OCCSCCCCCCCCCCO 62a_100009813290_100009816335 [0,2,0,0,0,0|1,0,1]=4 2414 B19R0.153 C=C(C)C(=O)OCCSCCCCCCCCCCO 62a_100009816335_200000033068 [0,2,0,0,0,0|1,0,1]=4 2415 B19R0.153 C=CCCCCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100011093070 [0,2,0,0,0,0|1,0,1]=4 2416 B19R0.153 C=CCCCCCCCCCCSCOC(=O)C(C)C 62a_100011093070_100000139345 [0,2,0,0,0,0|1,0,1]=4 2417 B19R0.153 CC(C)C(=O)NCCNCCCCCCCCCCO 2230a_100000752568_100009813290 [0,2,0,0,0,0|2,0,0]=4 2418 B19R0.153 CC(C)C(=O)NCCNCCCCCCCCCCO 34a_100000752568_100009813290 [0,2,0,0,0,0|2,0,0]=4 2419 B19R0.153 CC(C)C(=O)OCSCCCCCCCCCCCO 62a_100009812471_100000139345 [0,2,0,0,0,0|1,0,0]=3 2420 B19R0.153 CCCCC#CCCCCCCSCOC(=O)C(C)C 62a_100000139345_200000043322 [0,2,0,0,0,0|1,0,1]=4 2421 B19R0.153 CCCCC#CCCCCCCSCOC(=O)C(C)C 62a_200000043322_100000139345 [0,2,0,0,0,0|1,0,1]=4 2422 B19R0.153 CCCCCCCCCC/C=C/COCC(=O)C(C)C 34a_200025761149_100000753385 [0,2,0,0,0,0|1,0,1]=4 2423 B19R0.153 CCCCCCCCCC/C=C/COCC(=O)C(C)C 7a_200025761149_100000753385 [0,2,0,0,0,0|1,0,1]=4 2424 B19R0.153 CCCCCCCCCCCCC=NNC(=O)C(C)C 4a_100000184118_200011215488 [0,2,0,0,0,0|2,0,0]=4 2425 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C 11a_100011217771_100000210198 [0,2,0,0,0,0|2,0,0]=4 2426 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C 1626a_100011217771_100000210198 [0,2,0,0,0,0|2,0,0]=4 2427 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C 240690a_100011217771_100000210198 [0,2,0,0,0,0|2,0,0]=4 2428 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)C 527a_100011217771_100000210198 [0,2,0,0,0,0|2,0,0]=4 2429 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)F 11a_100011217771_100000062450 [0,2,0,0,0,0|2,0,0]=4 2430 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)F 1626a_100011217771_100000062450 [0,2,0,0,0,0|2,0,0]=4 2431 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)F 240690a_100011217771_100000062450 [0,2,0,0,0,0|2,0,0]=4 2432 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(C)F 527a_100011217771_100000062450 [0,2,0,0,0,0|2,0,0]=4 2433 B19R0.153 CCCCCCCCCCCCCCNC(=O)C(O)O 240690a_100011217771_100000233687 [0,2,0,0,0,0|2,0,0]=4 2434 B19R0.153 CCCCCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100011217771_100000717761 [0,2,0,0,0,0|1,0,0]=3 2435 B19R0.153 CCCCCCCCCCCCCCNC(=O)[C@H](C)O 1626a_100011217771_217856618621 [0,2,0,0,0,0|1,0,0]=3 2436 B19R0.153 CCCCCCCCCCCCCCNC(=O)[C@H](C)O 240690a_100011217771_217856618621 [0,2,0,0,0,0|1,0,0]=3 2437 B19R0.153 CCCCCCCCCCCCCOCC(=O)N(C)C 34a_100000185773_100000692301 [0,2,0,0,0,0|2,0,0]=4 2438 B19R0.153 CCCCCCCCCCCCCOCC(=O)N(C)C 7a_100000185773_100000692301 [0,2,0,0,0,0|2,0,0]=4 2439 B19R0.153 CCCCCCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100000759014 [0,2,0,0,0,0|2,0,0]=4 2440 B19R0.153 CCCCCCCCCCCCOCCC(=O)N(C)C 7a_100000210810_100000737620 [0,2,0,0,0,0|2,0,0]=4 2441 B19R0.153 CCCCCCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100000759014 [0,2,0,0,0,0|1,0,0]=3 2442 B19R0.153 CCCCCCCCCCCNCCNC(=O)C(C)C 2230a_100000752568_100011215454 [0,2,0,0,0,0|2,0,0]=4 2443 B19R0.153 CCCCCCCCCCCNCCNC(=O)C(C)C 34a_100000752568_100011215454 [0,2,0,0,0,0|2,0,0]=4 2444 B19R0.153 CCCCCCCCCCSCCOCC(=O)N(C)C 34a_100011628728_100000692301 [0,2,0,0,0,0|2,0,0]=4 2445 B19R0.153 CCCCCCCCCCSCCOCC(=O)N(C)C 7a_100011628728_100000692301 [0,2,0,0,0,0|2,0,0]=4 2446 B19R0.153 CN(C)C(=O)COCCCCCCCCCCCCBr 34a_100009813331_100000692301 [0,2,0,0,0,0|2,0,0]=4 2447 B19R0.153 CN(C)C(=O)COCCCCCCCCCCCCBr 7a_100009813331_100000692301 [0,2,0,0,0,0|2,0,0]=4 2448 B19R0.153 CN(C)C(=O)COCCCCCCCCCCCCN 34a_100000066677_100000692301 [0,2,0,0,0,0|2,0,0]=4 2449 B19R0.1317 C=C(C)C(=O)OCCCCCCOCCC(C)CCC 34a_100011217855_200010402237 [0,2,0,0,0,0|1,0,1]=4 2450 B19R0.1317 C=C(C)C(=O)OCCCCCCOCCC(C)CCC 7a_100011217855_200010402237 [0,2,0,0,0,0|1,0,1]=4 2451 B19R0.1317 C=C(C)C(=O)OCCCCCCOCC[C@@H](N)CCC 34a_100015193777_200010402237 [0,2,0,0,0,0|1,0,1]=4 2452 B19R0.1317 CCOC(=O)CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009827693 [0,2,0,0,0,0|1,0,1]=4 2453 B19R0.1317 CCOC(=O)CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009827693 [0,2,0,0,0,0|1,0,1]=4 2454 B19R0.3106 CCCCCCCCCCCCC(=O)CC(=O)C(C)C 1458a_100011215791_100000753385 [0,2,0,0,0,0|2,0,0]=4 2455 B19R0.3106 CCCCCCCCCCCCN(C)CC(=O)C(C)C 2230a_100000227908_100000753385 [0,2,0,0,0,0|2,0,0]=4 2456 B19R0.3106 CCCCCCCCCCCCN(C)CC(=O)C(C)C 269982a_100000227908_100000753385 [0,2,0,0,0,0|2,0,0]=4 2457 B19R0.7451 C=C(C)C(=O)OCCCCCCOCCCCC(C)C 34a_100011214890_200010402237 [0,2,0,0,0,0|1,0,1]=4 2458 B19R0.7451 C=C(C)C(=O)OCCCCCCOCCCCC(C)C 7a_100011214890_200010402237 [0,2,0,0,0,0|1,0,1]=4 2459 B19R0.7451 C=C(C)C(=O)OCCCCCCSCCCCC(C)C 62a_100011216152_200010402237 [0,2,0,0,0,0|1,0,1]=4 2460 B19R0.7451 C=C(C)C(=O)OCCCCCCSCCCCC(C)C 62a_200010402237_100011216152 [0,2,0,0,0,0|1,0,1]=4 2461 B19R0.7451 CC(=O)SCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010140907 [0,2,0,0,0,0|1,0,1]=4 2462 B19R0.7451 CC(=O)SCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100010140907 [0,2,0,0,0,0|1,0,1]=4 2463 B19R0.12924 C=C(C)C(=O)OCCCCCCOCC(C)CCCC 34a_100011995851_200010402237 [0,2,0,0,0,0|1,0,1]=4 2464 B19R0.12924 C=C(C)C(=O)OCCCCCCOCC(C)CCCC 7a_100011995851_200010402237 [0,2,0,0,0,0|1,0,1]=4 2465 B19R0.12924 C=C(C)C(=O)OCCCCCCOC[C@@H](N)CCCC 34a_100011934283_200010402237 [0,2,0,0,0,0|1,0,1]=4 2466 B19R0.14263 C=C(C)C(=O)OCCCCCCC(=O)CCCCCC 1458a_100102632555_200010402237 [0,2,0,0,0,0|1,0,1]=4 2467 B19R0.14263 C=C(C)C(=O)OCCCCCCN(C)CCCCCC 2230a_106256046315_200010402237 [0,2,0,0,0,0|1,0,1]=4 2468 B19R0.14263 C=C(C)C(=O)OCCCCCCN(C)CCCCCC 269982a_106256046315_200010402237 [0,2,0,0,0,0|1,0,1]=4 2469 B19R0.21223 C=C(C)C(=O)OCCCCCCOCCCC(C)CC 7a_100011216074_200010402237 [0,2,0,0,0,0|1,0,1]=4 2470 B19R0.21223 COC(=O)CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010983606 [0,2,0,0,0,0|1,0,1]=4 2471 B19R0.21223 COC(=O)CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100010983606 [0,2,0,0,0,0|1,0,1]=4 2472 B19R0.21223 COC(=O)CCCCCCCCCCNC(=O)[C@@H](C)O 188690a_202495363284_100000717761 [0,2,0,0,0,0|1,0,1]=4 2473 B19R0.21223 COC(=O)CCCCCCCCCCNC(=O)[C@H](C)O 188690a_202495363284_217856618621 [0,2,0,0,0,0|1,0,1]=4 2474 B19R0.23240 C=C(C)C(=O)OCCC(=O)CCCCCCCCCC 1458a_100000210375_100009816335 [0,2,0,0,0,0|1,0,1]=4 2475 B19R0.23240 C=C(C)C(=O)OCCN(C)CCCCCCCCCC 2230a_100000207566_100009816335 [0,2,0,0,0,0|1,0,1]=4 2476 B19R0.23240 C=C(C)C(=O)OCCN(C)CCCCCCCCCC 269982a_100000207566_100009816335 [0,2,0,0,0,0|1,0,1]=4 2477 B19R0.25649 C=C(C)C(=O)OCC(C)OCCCCCCCCCC 7a_100000061822_100000210320 [0,2,0,0,0,0|1,0,1]=4 2478 B19R0.25649 C=C(C)C(=O)OCC(O)CNCCCCCCCCC 34a_100000212291_100000037624 [0,2,0,0,0,0|1,0,1]=4 2479 B19R0.25649 C=C(C)C(=O)OCC(O)COCCCCCCCCC 34a_100000210712_100000037624 [0,2,0,0,0,0|1,0,1]=4 2480 B19R0.25649 C=C(C)C(=O)OCC(O)COCCCCCCCCC 7a_100000210712_100000037624 [0,2,0,0,0,0|1,0,1]=4 2481 B19R0.25649 C=C(C)C(=O)OCC(O)CSCCCCCCCCC 62a_100000037624_100000210670 [0,2,0,0,0,0|1,0,1]=4 2482 B19R0.25649 CCCCCCCCCCCC(=O)CNC(=O)C(C)C 1458a_100000194582_100011215454 [0,2,0,0,0,0|2,0,0]=4 2483 B19R0.25649 CCCCCCCCCCCC(=O)COC(=O)C(C)C 1458a_100000210736_100000139345 [0,2,0,0,0,0|1,0,0]=3 2484 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)C(C)C 1458a_100000210198_100020644155 [0,2,0,0,0,0|1,0,1]=4 2485 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)C(C)F 1458a_100000062450_100020644155 [0,2,0,0,0,0|1,0,1]=4 2486 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)C(O)O 1458a_100000233687_100020644155 [0,2,0,0,0,0|1,0,1]=4 2487 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_100020644155 [0,2,0,0,0,0|0,0,1]=3 2488 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_100020644155 [0,2,0,0,0,0|0,0,1]=3 2489 B19R0.25649 CCCCCCCCCCCC(C)OCC(=O)C(=O)C 34a_100011217895_100011261029 [0,2,0,0,0,0|0,0,2]=4 2490 B19R0.25649 CCCCCCCCCCCC(C)OCC(=O)C(C)C 34a_100011217895_100000753385 [0,2,0,0,0,0|1,0,0]=3 2491 B19R0.25649 CCCCCCCCCCCC(C)OCC(=O)C(C)C 7a_100011217895_100000753385 [0,2,0,0,0,0|1,0,0]=3 2492 B19R0.25649 CCCCCCCCCCCC(C)OCC(=O)N(C)C 34a_100011217895_100000692301 [0,2,0,0,0,0|2,0,0]=4 2493 B19R0.25649 CCCCCCCCCCCC(C)OCC(=O)N(C)C 7a_100011217895_100000692301 [0,2,0,0,0,0|2,0,0]=4 2494 B19R0.25650 C#CC(C)C(=O)CCCCCCCCCCCCCC 1458a_100000297455_200000035995 [0,2,0,0,0,0|2,0,0]=4 2495 B19R0.25650 C=CC(C)C(=O)NCCCCCCCCCCCCC 11a_100011215765_100011216780 [0,2,0,0,0,0|2,0,0]=4 2496 B19R0.25650 C=CC(C)C(=O)NCCCCCCCCCCCCC 1626a_100011215765_100011216780 [0,2,0,0,0,0|2,0,0]=4 2497 B19R0.25650 C=CC(C)C(=O)NCCCCCCCCCCCCC 240690a_100011215765_100011216780 [0,2,0,0,0,0|2,0,0]=4 2498 B19R0.25650 C=CC(C)C(=O)NCCCCCCCCCCCCC 527a_100011215765_100011216780 [0,2,0,0,0,0|2,0,0]=4 2499 B19R0.25650 C=CC(C)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100011216780 [0,2,0,0,0,0|2,0,0]=4 2500 B19R0.25650 CC(C#N)C(=O)CCCCCCCCCCCCCO 1458a_100000753662_100009812470 [0,2,0,0,0,0|2,0,0]=4 2501 B19R0.25650 CC(C#N)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000753662 [0,2,0,0,0,0|2,0,0]=4 2502 B19R0.25650 CCC(C)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100011192722 [0,2,0,0,0,0|2,0,0]=4 2503 B19R0.25650 CCC(O)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100011196387 [0,2,0,0,0,0|1,0,0]=3 2504 B19R0.25650 CCCCCCCCCCCC=NNC(=O)C(C)OC 4a_100000243824_100011218549 [0,2,0,0,0,0|1,0,1]=4 2505 B19R0.25650 CCCCCCCCCCCCCCC(=O)C(C)C#N 1458a_100000297455_100000703298 [0,2,0,0,0,0|2,0,0]=4 2506 B19R0.25650 CCCCCCCCCCCCCCC(=O)C(C)C#N 1458a_100000753662_100011215471 [0,2,0,0,0,0|2,0,0]=4 2507 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)C#N 11a_100011215765_100000753662 [0,2,0,0,0,0|2,0,0]=4 2508 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)C#N 1626a_100011215765_100000753662 [0,2,0,0,0,0|2,0,0]=4 2509 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)C#N 240690a_100011215765_100000753662 [0,2,0,0,0,0|2,0,0]=4 2510 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)C#N 527a_100011215765_100000753662 [0,2,0,0,0,0|2,0,0]=4 2511 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)CC 11a_100011215765_100011192722 [0,2,0,0,0,0|2,0,0]=4 2512 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)CC 1626a_100011215765_100011192722 [0,2,0,0,0,0|2,0,0]=4 2513 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)CC 240690a_100011215765_100011192722 [0,2,0,0,0,0|2,0,0]=4 2514 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)CC 527a_100011215765_100011192722 [0,2,0,0,0,0|2,0,0]=4 2515 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)OC 11a_100011215765_100000743197 [0,2,0,0,0,0|1,0,0]=3 2516 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)OC 1626a_100011215765_100000743197 [0,2,0,0,0,0|1,0,0]=3 2517 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)OC 240690a_100011215765_100000743197 [0,2,0,0,0,0|1,0,0]=3 2518 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)OC 527a_100011215765_100000743197 [0,2,0,0,0,0|1,0,0]=3 2519 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)SC 11a_100011215765_100000149566 [0,2,0,0,0,0|1,1,0]=4 2520 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)SC 1626a_100011215765_100000149566 [0,2,0,0,0,0|1,1,0]=4 2521 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)SC 240690a_100011215765_100000149566 [0,2,0,0,0,0|1,1,0]=4 2522 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(C)SC 527a_100011215765_100000149566 [0,2,0,0,0,0|1,1,0]=4 2523 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(O)CC 240690a_100011215765_100011196387 [0,2,0,0,0,0|1,0,0]=3 2524 B19R0.25650 CCCCCCCCCCCCCNC(=O)C(O)CO 240690a_100011215765_100011215603 [0,2,0,0,0,0|1,0,0]=3 2525 B19R0.25650 CCCCCCCCCCCCNCC(=O)N(C)OC 2230a_100000210451_100000764215 [0,2,0,0,0,0|2,0,0]=4 2526 B19R0.25650 CCCCCCCCCCCCNCC(=O)N(C)OC 2230a_100015207273_100011215052 [0,2,0,0,0,0|2,0,0]=4 2527 B19R0.25650 CCCCCCCCCCCCNCC(=O)N(C)OC 270004a_100015207273_100011218549 [0,2,0,0,0,0|2,0,0]=4 2528 B19R0.25650 CCCCCCCCCCCCOCC(=O)C(=O)OC 34a_100000210810_100011610305 [0,2,0,0,0,0|0,0,2]=4 2529 B19R0.25650 CCCCCCCCCCCCOCC(=O)N(C)CC 34a_100000210810_100000738999 [0,2,0,0,0,0|2,0,0]=4 2530 B19R0.25650 CCCCCCCCCCCCOCC(=O)N(C)CC 7a_100000210810_100000738999 [0,2,0,0,0,0|2,0,0]=4 2531 B19R0.25650 CCCCCCCCCCCCOCC(=O)N(C)OC 7a_100000210810_100000764215 [0,2,0,0,0,0|1,0,0]=3 2532 B19R0.25650 CCCCCCCCCCCCSCC(=O)N(C)OC 62a_100000764215_100000759014 [0,2,0,0,0,0|1,1,0]=4 2533 B19R0.25650 CCCCCCCCCCOCCCC(=O)N(C)OC 7a_100000210711_100011842776 [0,2,0,0,0,0|2,0,0]=4 2534 B19R0.25650 CCCCCCCCCCSCCCC(=O)N(C)OC 62a_100011842776_100000210320 [0,2,0,0,0,0|2,0,0]=4 2535 B19R0.25650 CCOCCCCCCCCCOCC(=O)N(C)OC 7a_100009875440_100000764215 [0,2,0,0,0,0|2,0,0]=4 2536 B19R0.25650 COC(C)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000743197 [0,2,0,0,0,0|1,0,0]=3 2537 B19R0.25650 CON(C)C(=O)COCCCCCCCCCCCBr 7a_100009812471_100000764215 [0,2,0,0,0,0|2,0,0]=4 2538 B19R0.25650 CSC(C)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000149566 [0,2,0,0,0,0|1,1,0]=4 2539 B19R0.25650 O=C(NCCCCCCCCCCCCO)C(O)CO 240690a_100000066677_100011215603 [0,2,0,0,0,0|1,0,0]=3 2540 B19R0.25742 C=C(C)C(=O)OCCCCCCNC(C)CCCCC 2230a_100000211957_200010402237 [0,2,0,0,0,0|1,0,1]=4 2541 B19R0.25742 C=C(C)C(=O)OCCCCCCOC(C)CCCCC 34a_100011215632_200010402237 [0,2,0,0,0,0|1,0,1]=4 2542 B19R0.25742 C=C(C)C(=O)OCCCCCCOC(C)CCCCC 7a_100011215632_200010402237 [0,2,0,0,0,0|1,0,1]=4 2543 B19R0.25742 C=C(C)C(=O)OCCCCCCSC(C)CCCCC 62a_200010402237_200011218191 [0,2,0,0,0,0|1,0,1]=4 2544 B19R0.25742 C=C(C)C(=O)OCCCCCCSC(C)CCCCC 62a_200011218191_200010402237 [0,2,0,0,0,0|1,0,1]=4 2545 B19R0.26188 CC(C)(Br)C(=O)OCCOCCCCCCCCCO 34a_100009817195_100009813782 [0,2,0,0,0,0|2,0,0]=4 2546 B19R0.26188 CC(C)(Br)C(=O)OCCOCCCCCCCCCO 7a_100009817195_100009813782 [0,2,0,0,0,0|2,0,0]=4 2547 B19R0.26188 CC(C)(C)C(=O)CCCCCCCCCCCCCO 1458a_106744555173_100009812470 [0,2,0,0,0,0|2,0,0]=4 2548 B19R0.26188 CC(C)(C)C(=O)COCCCCCCCCCCCBr 34a_100009812471_100000229897 [0,2,0,0,0,0|2,0,0]=4 2549 B19R0.26188 CC(C)(C)C(=O)COCCCCCCCCCCCBr 7a_100009812471_100000210923 [0,2,0,0,0,0|2,0,0]=4 2550 B19R0.26188 CC(C)(C)C(=O)COCCCCCCCCCCCO 34a_200011592769_100009812471 [0,2,0,0,0,0|2,0,0]=4 2551 B19R0.26188 CC(C)(C)C(=O)COCCCCCCCCCCCO 7a_200011592769_100009812471 [0,2,0,0,0,0|2,0,0]=4 2552 B19R0.26188 CC(C)(C)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_106744555173 [0,2,0,0,0,0|2,0,0]=4 2553 B19R0.26188 CC(C)(C)C(=O)OCSCCCCCCCCCCO 62a_100000032063_200000033068 [0,2,0,0,0,0|2,0,0]=4 2554 B19R0.26188 CC(C)(C)C(=O)OCSCCCCCCCCCCO 62a_100009813290_100000032063 [0,2,0,0,0,0|2,0,0]=4 2555 B19R0.26188 CC(C)(F)C(=O)CCCCCCCCCCCCCO 1458a_100000765255_100009812470 [0,2,0,0,0,0|2,0,0]=4 2556 B19R0.26188 CC(C)(F)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000765255 [0,2,0,0,0,0|2,0,0]=4 2557 B19R0.26188 CC(C)(O)C(=O)CCCCCCCCCCCCCO 1458a_100000242741_100009812470 [0,2,0,0,0,0|1,0,0]=3 2558 B19R0.26188 CC(C)(O)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000242741 [0,2,0,0,0,0|1,0,0]=3 2559 B19R0.26188 CC(F)(F)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000042251 [0,2,0,0,0,0|2,0,0]=4 2560 B19R0.26188 CCCCCCCCCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100011215471 [0,2,0,0,0,0|1,0,0]=3 2561 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(C)C 11a_100011215765_106744555173 [0,2,0,0,0,0|2,0,0]=4 2562 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(C)C 1626a_100011215765_106744555173 [0,2,0,0,0,0|2,0,0]=4 2563 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(C)C 240690a_100011215765_106744555173 [0,2,0,0,0,0|2,0,0]=4 2564 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(C)C 527a_100011215765_106744555173 [0,2,0,0,0,0|2,0,0]=4 2565 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(C)F 11a_100011215765_100000765255 [0,2,0,0,0,0|2,0,0]=4 2566 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(C)F 1626a_100011215765_100000765255 [0,2,0,0,0,0|2,0,0]=4 2567 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(C)F 240690a_100011215765_100000765255 [0,2,0,0,0,0|2,0,0]=4 2568 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(C)F 527a_100011215765_100000765255 [0,2,0,0,0,0|2,0,0]=4 2569 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(C)O 240690a_100011215765_100000242741 [0,2,0,0,0,0|1,0,0]=3 2570 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(F)F 11a_100011215765_100000042251 [0,2,0,0,0,0|2,0,0]=4 2571 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(F)F 1626a_100011215765_100000042251 [0,2,0,0,0,0|2,0,0]=4 2572 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(F)F 240690a_100011215765_100000042251 [0,2,0,0,0,0|2,0,0]=4 2573 B19R0.26188 CCCCCCCCCCCCCNC(=O)C(C)(F)F 527a_100011215765_100000042251 [0,2,0,0,0,0|2,0,0]=4 2574 B19R0.26188 CCCCCCCCCCCCNCC(=O)C(C)(C)C 34a_100000210451_100000229897 [0,2,0,0,0,0|2,0,0]=4 2575 B19R0.26188 CCCCCCCCCCCCOCC(=O)C(C)(C)C 34a_100000210810_100000229897 [0,2,0,0,0,0|1,0,0]=3 2576 B19R0.26188 CCCCCCCCCCCCOCC(=O)C(C)(C)C 34a_200011592769_100000759014 [0,2,0,0,0,0|1,0,0]=3 2577 B19R0.26188 CCCCCCCCCCCCOCC(=O)C(C)(C)C 7a_100000210810_100000210923 [0,2,0,0,0,0|1,0,0]=3 2578 B19R0.26188 CCCCCCCCCCCCOCC(=O)C(C)(C)C 7a_200011592769_100000759014 [0,2,0,0,0,0|1,0,0]=3 2579 B19R0.26188 CCCCCCCCCCCCOCC(=O)C(F)(F)F 34a_100000210810_100000002480 [0,2,0,0,0,0|2,0,0]=4 2580 B19R0.26188 CCCCCCCCCCCSCOC(=O)C(C)(C)C 62a_100000032063_100011215454 [0,2,0,0,0,0|1,0,0]=3 2581 B19R0.26188 CCCCCCCCCCNCCOC(=O)C(F)(F)F 34a_100000684558_200000066329 [0,2,0,0,0,0|2,0,0]=4 2582 B19R0.26188 CCCCCCCCCCOCCOC(=O)C(C)(C)Br 34a_100009817195_100000210320 [0,2,0,0,0,0|1,0,0]=3 2583 B19R0.26188 CCCCCCCCCCOCCOC(=O)C(C)(C)Br 7a_100009817195_100000210320 [0,2,0,0,0,0|1,0,0]=3 2584 B19R0.26188 CCCCCCCCCCOCCOC(=O)C(F)(F)F 34a_100000210711_200000066329 [0,2,0,0,0,0|2,0,0]=4 2585 B19R0.26188 CCCCCCCCCCSCCOC(=O)C(F)(F)F 62a_200000066329_100000210320 [0,2,0,0,0,0|2,0,0]=4 2586 B19R0.26188 CCOCCCCCCCCCOCC(=O)C(C)(C)C 34a_100009875440_100000229897 [0,2,0,0,0,0|2,0,0]=4 2587 B19R0.26188 CCOCCCCCCCCCOCC(=O)C(C)(C)C 7a_100009875440_100000210923 [0,2,0,0,0,0|2,0,0]=4 2588 B19R0.26218 C=C(C)C(=O)OCCOC(C)CCCCCCCCC 34a_100011218016_100009816335 [0,2,0,0,0,0|1,0,1]=4 2589 B19R0.26218 C=C(C)C(=O)OCCOC(C)CCCCCCCCC 7a_100011218016_100009816335 [0,2,0,0,0,0|1,0,1]=4 2590 B19R0.26218 CCCCCCCCCC(C)NCCNC(=O)C(C)C 270004a_100000752568_100011215753 [0,2,0,0,0,0|2,0,0]=4 2591 B19R0.3097 C=CCC(C)C(=O)NCCCCCCCCCCCC 11a_100000210451_100011216819 [0,2,0,0,0,0|2,0,0]=4 2592 B19R0.3097 C=CCC(C)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100011216819 [0,2,0,0,0,0|2,0,0]=4 2593 B19R0.3097 C=CCC(C)C(=O)NCCCCCCCCCCCC 240690a_100000210451_100011216819 [0,2,0,0,0,0|2,0,0]=4 2594 B19R0.3097 C=CCC(C)C(=O)NCCCCCCCCCCCC 527a_100000210451_100011216819 [0,2,0,0,0,0|2,0,0]=4 2595 B19R0.3097 CCCCCCCCCCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210684 [0,2,0,0,0,0|1,0,1]=4 2596 B19R0.3097 CCCCCCCCCCCCCC(=O)C(C)CC#N 1458a_100000756256_100009813641 [0,2,0,0,0,0|2,0,0]=4 2597 B19R0.3097 CCCCCCCCCCCCCC(=O)N(C)CCO 240690a_100000210263_100000756256 [0,2,0,0,0,0|2,0,0]=4 2598 B19R0.3097 CCCCCCCCCCCCNC(=O)/C(=N/OC)/C 11a_100000210451_100160996864 [0,2,0,0,0,0|1,0,1]=4 2599 B19R0.3097 CCCCCCCCCCCCNC(=O)/C(=N/OC)/C 240690a_100000210451_100160996864 [0,2,0,0,0,0|1,0,1]=4 2600 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)CCC 11a_100000210451_100000210906 [0,2,0,0,0,0|2,0,0]=4 2601 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)CCC 1626a_100000210451_100000210906 [0,2,0,0,0,0|2,0,0]=4 2602 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)CCC 240690a_100000210451_100000210906 [0,2,0,0,0,0|2,0,0]=4 2603 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)CCC 527a_100000210451_100000210906 [0,2,0,0,0,0|2,0,0]=4 2604 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)COC 11a_100000210451_100000751857 [0,2,0,0,0,0|1,0,0]=3 2605 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)COC 1626a_100000210451_100000751857 [0,2,0,0,0,0|1,0,0]=3 2606 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)COC 240690a_100000210451_100000751857 [0,2,0,0,0,0|1,0,0]=3 2607 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)COC 527a_100000210451_100000751857 [0,2,0,0,0,0|1,0,0]=3 2608 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)CSC 11a_100000210451_100000753918 [0,2,0,0,0,0|1,1,0]=4 2609 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)CSC 1626a_100000210451_100000753918 [0,2,0,0,0,0|1,1,0]=4 2610 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)CSC 240690a_100000210451_100000753918 [0,2,0,0,0,0|1,1,0]=4 2611 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)CSC 527a_100000210451_100000753918 [0,2,0,0,0,0|1,1,0]=4 2612 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)OCC 11a_100000210451_100000739345 [0,2,0,0,0,0|1,0,0]=3 2613 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)OCC 1626a_100000210451_100000739345 [0,2,0,0,0,0|1,0,0]=3 2614 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)OCC 240690a_100000210451_100000739345 [0,2,0,0,0,0|1,0,0]=3 2615 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)OCC 527a_100000210451_100000739345 [0,2,0,0,0,0|1,0,0]=3 2616 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)SCC 11a_100000210451_100000230601 [0,2,0,0,0,0|1,1,0]=4 2617 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)SCC 1626a_100000210451_100000230601 [0,2,0,0,0,0|1,1,0]=4 2618 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)SCC 240690a_100000210451_100000230601 [0,2,0,0,0,0|1,1,0]=4 2619 B19R0.3097 CCCCCCCCCCCCNC(=O)C(C)SCC 527a_100000210451_100000230601 [0,2,0,0,0,0|1,1,0]=4 2620 B19R0.3097 CCCCCCCCCCCCNC(=O)N(C)CCO 2708a_100000210451_100000210263 [0,2,0,0,0,0|2,0,0]=4 2621 B19R0.3097 CCCCCCCCCCCCNC(=O)N(C)CCO 273464a_100000210451_100000210263 [0,2,0,0,0,0|2,0,0]=4 2622 B19R0.3097 CCCCCCCCCCCCNC(=O)[C@@H](O)CCC 240690a_100000210451_100009822183 [0,2,0,0,0,0|1,0,0]=3 2623 B19R0.3099 CCCCCCCCCCCCNC(=O)C(CC)CC 11a_100000210451_100000211163 [0,2,0,0,0,0|2,0,0]=4 2624 B19R0.3099 CCCCCCCCCCCCNC(=O)C(CC)CC 1626a_100000210451_100000211163 [0,2,0,0,0,0|2,0,0]=4 2625 B19R0.3099 CCCCCCCCCCCCNC(=O)C(CC)CC 240690a_100000210451_100000211163 [0,2,0,0,0,0|2,0,0]=4 2626 B19R0.3099 CCCCCCCCCCCCNC(=O)C(CC)CC 527a_100000210451_100000211163 [0,2,0,0,0,0|2,0,0]=4 2627 B19R0.3099 CCCCCCCCCCCCNC(=O)C(CC)OC 11a_100000210451_100000747056 [0,2,0,0,0,0|1,0,0]=3 2628 B19R0.3099 CCCCCCCCCCCCNC(=O)C(CC)OC 1626a_100000210451_100000747056 [0,2,0,0,0,0|1,0,0]=3 2629 B19R0.3099 CCCCCCCCCCCCNC(=O)C(CC)OC 240690a_100000210451_100000747056 [0,2,0,0,0,0|1,0,0]=3 2630 B19R0.3099 CCCCCCCCCCCCNC(=O)C(CC)OC 527a_100000210451_100000747056 [0,2,0,0,0,0|1,0,0]=3 2631 B19R0.3099 CCCCCCCCCCCCNC(=O)C(OC)OC 11a_100000210451_100000046285 [0,2,0,0,0,0|1,0,0]=3 2632 B19R0.3099 CCCCCCCCCCCCNC(=O)C(OC)OC 240690a_100000210451_100000046285 [0,2,0,0,0,0|1,0,0]=3 2633 B19R0.3099 CCCCCCCCCCCCNC(=O)C(OC)OC 527a_100000210451_100000046285 [0,2,0,0,0,0|1,0,0]=3 2634 B19R0.3099 CCCCCCCCCCNCOC(=O)C(CC)CC 2230a_100000684558_100000140015 [0,2,0,0,0,0|2,0,0]=4 2635 B19R0.3099 CCCCCCCCCCNCOC(=O)C(CC)CC 34a_100000684558_100000140015 [0,2,0,0,0,0|2,0,0]=4 2636 B19R0.3099 CCCCCCCCCCOCOC(=O)C(CC)CC 34a_100000210711_100000140015 [0,2,0,0,0,0|2,0,0]=4 2637 B19R0.3099 CCCCCCCCCCOCOC(=O)C(CC)CC 7a_100000210711_100000140015 [0,2,0,0,0,0|2,0,0]=4 2638 B19R0.3099 CCCCCCCCCCSCOC(=O)C(CC)CC 62a_100000140015_100000210320 [0,2,0,0,0,0|2,0,0]=4 2639 B19R0.14042 C#CC(C)(C)C(=O)CCCCCCCCCCCCC 1458a_100000079900_100000210684 [0,2,0,0,0,0|2,0,0]=4 2640 B19R0.14042 C#CC(C)(C)C(=O)CCCCCCCCCCCCC 1458a_100000756256_100000038118 [0,2,0,0,0,0|2,0,0]=4 2641 B19R0.14042 C#CC(C)(C)C(=O)NCCCCCCCCCCCC 11a_100000210451_100000079900 [0,2,0,0,0,0|2,0,0]=4 2642 B19R0.14042 C#CC(C)(C)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100000079900 [0,2,0,0,0,0|2,0,0]=4 2643 B19R0.14042 C#CC(C)(C)C(=O)NCCCCCCCCCCCC 240690a_100000210451_100000079900 [0,2,0,0,0,0|2,0,0]=4 2644 B19R0.14042 C#CC(C)(C)C(=O)NCCCCCCCCCCCC 527a_100000210451_100000079900 [0,2,0,0,0,0|2,0,0]=4 2645 B19R0.14042 C=CC(C)(C)C(=O)NCCCCCCCCCCCC 11a_100000210451_100012027013 [0,2,0,0,0,0|2,0,0]=4 2646 B19R0.14042 C=CC(C)(C)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100012027013 [0,2,0,0,0,0|2,0,0]=4 2647 B19R0.14042 C=CC(C)(C)C(=O)NCCCCCCCCCCCC 240690a_100000210451_100012027013 [0,2,0,0,0,0|2,0,0]=4 2648 B19R0.14042 C=CC(C)(C)C(=O)NCCCCCCCCCCCC 527a_100000210451_100012027013 [0,2,0,0,0,0|2,0,0]=4 2649 B19R0.14042 CC(C)(CO)C(=O)CCCCCCCCCCCCO 1458a_100000749806_100009813331 [0,2,0,0,0,0|2,0,0]=4 2650 B19R0.14042 CCC(C)(O)C(=O)CCCCCCCCCCCCO 1458a_100011219770_100009813331 [0,2,0,0,0,0|2,0,0]=4 2651 B19R0.14042 CCCCCCCCCCCCCC(=O)C(C)(C)C#N 1458a_100000740761_100000210684 [0,2,0,0,0,0|2,0,0]=4 2652 B19R0.14042 CCCCCCCCCCCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210684 [0,2,0,0,0,0|1,0,0]=3 2653 B19R0.14042 CCCCCCCCCCCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210684 [0,2,0,0,0,0|1,0,0]=3 2654 B19R0.14042 CCCCCCCCCCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210684 [0,2,0,0,0,0|1,0,0]=3 2655 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)C#N 11a_100000210451_100000740761 [0,2,0,0,0,0|2,0,0]=4 2656 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)C#N 1626a_100000210451_100000740761 [0,2,0,0,0,0|2,0,0]=4 2657 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)C#N 240690a_100000210451_100000740761 [0,2,0,0,0,0|2,0,0]=4 2658 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)C#N 527a_100000210451_100000740761 [0,2,0,0,0,0|2,0,0]=4 2659 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)CC 11a_100000210451_100000749717 [0,2,0,0,0,0|2,0,0]=4 2660 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)CC 1626a_100000210451_100000749717 [0,2,0,0,0,0|2,0,0]=4 2661 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)CC 240690a_100000210451_100000749717 [0,2,0,0,0,0|2,0,0]=4 2662 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)CC 527a_100000210451_100000749717 [0,2,0,0,0,0|2,0,0]=4 2663 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)CF 11a_100000210451_100000138116 [0,2,0,0,0,0|2,0,0]=4 2664 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)CF 1626a_100000210451_100000138116 [0,2,0,0,0,0|2,0,0]=4 2665 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)CF 240690a_100000210451_100000138116 [0,2,0,0,0,0|2,0,0]=4 2666 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)CF 527a_100000210451_100000138116 [0,2,0,0,0,0|2,0,0]=4 2667 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)CO 1626a_100000210451_100000749806 [0,2,0,0,0,0|1,0,0]=3 2668 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)CO 240690a_100000210451_100000749806 [0,2,0,0,0,0|1,0,0]=3 2669 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)CO 527a_100000210451_100000749806 [0,2,0,0,0,0|1,0,0]=3 2670 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)OC 11a_100000210451_100000753492 [0,2,0,0,0,0|1,0,0]=3 2671 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)OC 1626a_100000210451_100000753492 [0,2,0,0,0,0|1,0,0]=3 2672 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)OC 240690a_100000210451_100000753492 [0,2,0,0,0,0|1,0,0]=3 2673 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(C)OC 527a_100000210451_100000753492 [0,2,0,0,0,0|1,0,0]=3 2674 B19R0.14042 CCCCCCCCCCCCNC(=O)C(C)(O)CC 240690a_100000210451_100011219770 [0,2,0,0,0,0|1,0,0]=3 2675 B19R0.14042 CCCCCCCCCCCCNC(=O)C(F)(F)CC 11a_100000210451_100000061896 [0,2,0,0,0,0|2,0,0]=4 2676 B19R0.14042 CCCCCCCCCCCCNC(=O)C(F)(F)CC 1626a_100000210451_100000061896 [0,2,0,0,0,0|2,0,0]=4 2677 B19R0.14042 CCCCCCCCCCCCNC(=O)C(F)(F)CC 240690a_100000210451_100000061896 [0,2,0,0,0,0|2,0,0]=4 2678 B19R0.14042 CCCCCCCCCCCCNC(=O)C(F)(F)CC 527a_100000210451_100000061896 [0,2,0,0,0,0|2,0,0]=4 2679 B19R0.14042 COC(C)(C)C(=O)CCCCCCCCCCCCO 1458a_100000753492_100009813331 [0,2,0,0,0,0|2,0,0]=4 2680 B19R0.22783 C=CC(C)C(=O)N(C)CCCCCCCCCCCC 11a_100000227908_100011216780 [0,2,0,0,0,0|2,0,0]=4 2681 B19R0.22783 C=CC(C)C(=O)N(C)CCCCCCCCCCCC 1626a_100000227908_100011216780 [0,2,0,0,0,0|2,0,0]=4 2682 B19R0.22783 C=CC(C)C(=O)N(C)CCCCCCCCCCCC 240690a_100000227908_100011216780 [0,2,0,0,0,0|2,0,0]=4 2683 B19R0.22783 C=CC(C)C(=O)N(C)CCCCCCCCCCCC 527a_100000227908_100011216780 [0,2,0,0,0,0|2,0,0]=4 2684 B19R0.22783 CCCCCCCCCCCCC(C)C(=O)C(C)C#N 1458a_100000753662_200011217028 [0,2,0,0,0,0|2,0,0]=4 2685 B19R0.22783 CCCCCCCCCCCCC(C)C(=O)C(C)OC 1458a_100000743197_200011217028 [0,2,0,0,0,0|1,0,0]=3 2686 B19R0.22783 CCCCCCCCCCCCC(C)C(=O)C(O)CC 1458a_100011196387_200011217028 [0,2,0,0,0,0|1,0,0]=3 2687 B19R0.22783 CCCCCCCCCCCCC(C)C(=O)C(O)CO 1458a_100011215603_200011217028 [0,2,0,0,0,0|1,0,0]=3 2688 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)C#N 11a_100000227908_100000753662 [0,2,0,0,0,0|2,0,0]=4 2689 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)C#N 1626a_100000227908_100000753662 [0,2,0,0,0,0|2,0,0]=4 2690 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)C#N 240690a_100000227908_100000753662 [0,2,0,0,0,0|2,0,0]=4 2691 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)C#N 527a_100000227908_100000753662 [0,2,0,0,0,0|2,0,0]=4 2692 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)CC 11a_100000227908_100011192722 [0,2,0,0,0,0|2,0,0]=4 2693 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)CC 1626a_100000227908_100011192722 [0,2,0,0,0,0|2,0,0]=4 2694 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)CC 240690a_100000227908_100011192722 [0,2,0,0,0,0|2,0,0]=4 2695 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)CC 527a_100000227908_100011192722 [0,2,0,0,0,0|2,0,0]=4 2696 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)OC 11a_100000227908_100000743197 [0,2,0,0,0,0|1,0,0]=3 2697 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)OC 1626a_100000227908_100000743197 [0,2,0,0,0,0|1,0,0]=3 2698 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)OC 240690a_100000227908_100000743197 [0,2,0,0,0,0|1,0,0]=3 2699 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)OC 527a_100000227908_100000743197 [0,2,0,0,0,0|1,0,0]=3 2700 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)SC 11a_100000227908_100000149566 [0,2,0,0,0,0|1,1,0]=4 2701 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)SC 1626a_100000227908_100000149566 [0,2,0,0,0,0|1,1,0]=4 2702 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)SC 240690a_100000227908_100000149566 [0,2,0,0,0,0|1,1,0]=4 2703 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(C)SC 527a_100000227908_100000149566 [0,2,0,0,0,0|1,1,0]=4 2704 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(O)CC 240690a_100000227908_100011196387 [0,2,0,0,0,0|1,0,0]=3 2705 B19R0.22783 CCCCCCCCCCCCN(C)C(=O)C(O)CO 240690a_100000227908_100011215603 [0,2,0,0,0,0|1,0,0]=3 2706 B19R0.27712 C[C@@H](O)C(=O)CCCCCCCCCCCC(F)(F)F 1458a_100000717761_200044909058 [0,2,0,0,0,0|2,0,0]=4 2707 B19R0.27712 C[C@H](O)C(=O)CCCCCCCCCCCC(F)(F)F 1458a_217856618621_200044909058 [0,2,0,0,0,0|2,0,0]=4 2708 B19R0.14230 CCCCCCCCCCC(=O)COC(=O)C(C)(C)C 1458a_100000210375_100000032063 [0,2,0,0,0,0|1,0,1]=4 2709 B19R0.18060 CCCCCCCCCCCCC(C)C(=O)C(C)(C)O 1458a_100000242741_200011217028 [0,2,0,0,0,0|1,0,0]=3 2710 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(C)C 11a_100000227908_106744555173 [0,2,0,0,0,0|2,0,0]=4 2711 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(C)C 1626a_100000227908_106744555173 [0,2,0,0,0,0|2,0,0]=4 2712 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(C)C 240690a_100000227908_106744555173 [0,2,0,0,0,0|2,0,0]=4 2713 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(C)C 527a_100000227908_106744555173 [0,2,0,0,0,0|2,0,0]=4 2714 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(C)F 11a_100000227908_100000765255 [0,2,0,0,0,0|2,0,0]=4 2715 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(C)F 1626a_100000227908_100000765255 [0,2,0,0,0,0|2,0,0]=4 2716 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(C)F 240690a_100000227908_100000765255 [0,2,0,0,0,0|2,0,0]=4 2717 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(C)F 527a_100000227908_100000765255 [0,2,0,0,0,0|2,0,0]=4 2718 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(C)O 240690a_100000227908_100000242741 [0,2,0,0,0,0|1,0,0]=3 2719 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(F)F 11a_100000227908_100000042251 [0,2,0,0,0,0|2,0,0]=4 2720 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(F)F 1626a_100000227908_100000042251 [0,2,0,0,0,0|2,0,0]=4 2721 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(F)F 240690a_100000227908_100000042251 [0,2,0,0,0,0|2,0,0]=4 2722 B19R0.18060 CCCCCCCCCCCCN(C)C(=O)C(C)(F)F 527a_100000227908_100000042251 [0,2,0,0,0,0|2,0,0]=4 2723 B19R0.3095 CCCCCCCCCCCCNC(C(=O)O)C(C)O 269956a_100000185852_100000759014 [0,2,0,0,0,0|1,0,1]=4 2724 B19R0.3095 CCCCCCCCCCCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100011215052 [0,2,0,0,0,0|1,0,1]=4 2725 B19R0.3095 CCCCCCCCCCCCN[C@H](C(=O)N)[C@@H](C)O 270004a_100000003557_100011218549 [0,2,0,0,0,0|1,0,1]=4 2726 B19R0.3095 CCCCCCCCCCCCOC(C(=O)N)C(C)C 34a_100000210810_100000230017 [0,2,0,0,0,0|1,0,1]=4 2727 B19R0.3095 CCCCCCCCCCCCOC(C(=O)N)C(C)C 7a_100000210810_100000230017 [0,2,0,0,0,0|1,0,1]=4 2728 B17R1.11 CCCCCCCCCNC1CCC(=O)NC1 2230a_100000748762_100011214924 [1,0,0,1,0,0|2,0,0]=4 2729 B17R1.11 CCCCCCCCCNC1CCC(=O)NC1 34a_100000748762_100011214924 [1,0,0,1,0,0|2,0,0]=4 2730 B17R1.11 CCCCCCCCCOC1CCC(=O)CC1 34a_100000764474_100011214924 [1,0,0,1,0,0|2,0,0]=4 2731 B17R1.11 CCCCCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210328 [1,0,0,1,0,0|2,0,0]=4 2732 B17R1.11 CCCCCCCCCOC1CCC(=O)NC1 34a_100000079199_100011214924 [1,0,0,1,0,0|2,0,0]=4 2733 B17R1.11 CCCCCCCCOCC1CCC(=O)CC1 34a_100000062911_100000210759 [1,0,0,1,0,0|2,0,0]=4 2734 B17R1.23 CCCCCCCCCN1CCNC(=O)C1C 2230a_100000750721_100011214924 [1,0,0,1,0,0|2,0,0]=4 2735 B17R1.23 CCCCCCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210670 [1,0,0,1,0,0|2,0,0]=4 2736 B17R1.23 CCCCCCCCCN1CCNC(=O)C1C 34a_100000750721_100011214924 [1,0,0,1,0,0|2,0,0]=4 2737 B17R1.347 CCCC1CCCCC1NCCNC(=O)CC 269862a_100132302217_100011218038 [1,0,0,1,0,0|2,0,0]=4 2738 B17R1.347 CCCC1CCCCC1NCCNC(=O)CC 270004a_100132302217_100011218038 [1,0,0,1,0,0|2,0,0]=4 2739 B17R1.347 CCCC1CCCCC1OCCOC(=O)NC 34a_100011217265_200011997002 [1,0,0,1,0,0|2,0,0]=4 2740 B17R1.347 CCCC1CCCCC1OCCOC(=O)NC 7a_100011217265_200011997002 [1,0,0,1,0,0|2,0,0]=4 2741 B17R1.1158 CCC(=O)NCCNCCCC1CCCCC1 34a_100132302217_100011713725 [1,0,0,1,0,0|2,0,0]=4 2742 B17R1.1158 CCC(=O)NCCOCCCC1CCCCC1 34a_200000158885_100011713725 [1,0,0,1,0,0|2,0,0]=4 2743 B17R1.1158 CCC(=O)NCCOCCCC1CCCCC1 7a_200000158885_100011713725 [1,0,0,1,0,0|2,0,0]=4 2744 B17R1.1158 CCC(=O)OCCOCCCC1CCCCC1 7a_200000031056_100011713725 [1,0,0,1,0,0|1,0,0]=3 2745 B17R1.1158 CCC(=O)OCCOCCCN1CCCCC1 7a_200000031056_100000007876 [1,0,0,1,0,0|2,0,0]=4 2746 B17R1.1158 CCC(=O)OCCOCCOC1CCCCC1 7a_200000031056_100011211530 [1,0,0,1,0,0|2,0,0]=4 2747 B17R1.1158 CNC(=O)OCCNCCCC1CCCCC1 34a_100011211642_200011997002 [1,0,0,1,0,0|2,0,0]=4 2748 B17R1.1158 CNC(=O)OCCOCCCC1CCCCC1 34a_100000198086_200011997002 [1,0,0,1,0,0|2,0,0]=4 2749 B17R1.1158 CNC(=O)OCCOCCCC1CCCCC1 7a_100000198086_200011997002 [1,0,0,1,0,0|2,0,0]=4 2750 B17R1.1158 CNC(=O)OCCSCCCC1CCCCC1 62a_100011713725_200011997002 [1,0,0,1,0,0|2,0,0]=4 2751 B17R1.1158 CNC(=O)OCCSCCCC1CCCCC1 62a_200011997002_100011713725 [1,0,0,1,0,0|2,0,0]=4 2752 B17R1.1158 COC(=O)OCCOCCCC1CCCCC1 34a_100010262106_100011713725 [1,0,0,1,0,0|2,0,0]=4 2753 B17R1.1241 CCCCCCCCCCNC1COC(=O)O1 34a_100000684558_100000032252 [1,0,0,1,0,0|2,0,0]=4 2754 B17R1.1241 CCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210320 [1,0,0,1,0,0|2,0,0]=4 2755 B17R1.1241 CCCCCCCCCCOC1COC(=O)O1 34a_100000210711_100000032252 [1,0,0,1,0,0|2,0,0]=4 2756 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 2230a_100000212291_100000181169 [1,0,0,1,0,0|2,0,0]=4 2757 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 34a_100000212291_100000181169 [1,0,0,1,0,0|2,0,0]=4 2758 B17R1.1241 CCCCCCCCCNCC1COC(=O)O1 34a_100000212291_100000073702 [1,0,0,1,0,0|2,0,0]=4 2759 B17R1.1241 CCCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000212291_100015189358 [1,0,0,1,0,0|2,0,0]=4 2760 B17R1.1241 CCCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011214924 [1,0,0,1,0,0|2,0,0]=4 2761 B17R1.1241 CCCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011214924 [1,0,0,1,0,0|2,0,0]=4 2762 B17R1.1241 CCCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100011214924 [1,0,0,1,0,0|2,0,0]=4 2763 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100000210712_100000181169 [1,0,0,1,0,0|2,0,0]=4 2764 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100011214924 [1,0,0,1,0,0|2,0,0]=4 2765 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 7a_100000210712_100000181169 [1,0,0,1,0,0|2,0,0]=4 2766 B17R1.1241 CCCCCCCCCOCC1COC(=O)O1 34a_100000210712_100000073702 [1,0,0,1,0,0|2,0,0]=4 2767 B17R1.1241 CCCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210712_100015189358 [1,0,0,1,0,0|2,0,0]=4 2768 B17R1.1241 CCCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210670 [1,0,0,1,0,0|2,0,0]=4 2769 B17R1.1241 CCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210670 [1,0,0,1,0,0|2,0,0]=4 2770 B17R1.1241 CCCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210670 [1,0,0,1,0,0|2,0,0]=4 2771 B17R1.1338 CCC(=O)OCCOCCC1CCCCN1C 7a_200000031056_100000211948 [1,0,0,1,0,0|2,0,0]=4 2772 B17R1.5249 CCCCCCCCCCCNC1CCC1=O 34a_200011215754_100009892977 [1,0,0,1,0,0|2,0,0]=4 2773 B17R1.5249 CCCCCCCCCCCOC1CCC1=O 34a_100000210809_100009892977 [1,0,0,1,0,0|2,0,0]=4 2774 B17R1.5249 CCCCCCCCCCCOC1CCC1=O 7a_100000210809_100009892977 [1,0,0,1,0,0|2,0,0]=4 2775 B17R1.5249 CCCCCCCCCCCSC1CCC1=O 62a_100009892977_100011215454 [1,0,0,1,0,0|2,0,0]=4 2776 B17R1.5249 CCCCCCCCCNCCC1CCC1=O 2230a_100000212291_200016118888 [1,0,0,1,0,0|2,0,0]=4 2777 B17R1.5249 CCCCCCCCCOCCC1CCC1=O 7a_100000210712_200016118888 [1,0,0,1,0,0|2,0,0]=4 2778 B17R1.5249 CCCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210670 [1,0,0,1,0,0|2,0,0]=4 2779 B17R1.5256 CCCCC1CCCC1NCCNC(=O)CC 269862a_100132302217_100000750825 [1,0,0,1,0,0|2,0,0]=4 2780 B17R1.5256 CCCCC1CCCC1NCCNC(=O)CC 270004a_100132302217_100000750825 [1,0,0,1,0,0|2,0,0]=4 2781 B17R1.7892 CCCCCCCCCCCCOC1CCC1 34a_100000210810_100000749161 [1,0,0,1,0,0|1,0,1]=4 2782 B17R1.7892 CCCCCCCCCCCCOC1CCC1 34a_100000748187_100000759014 [1,0,0,1,0,0|1,0,1]=4 2783 B17R1.7892 CCCCCCCCCCCCOC1COC1 34a_100000210810_100009818527 [1,0,0,1,0,0|1,0,1]=4 2784 B17R1.7892 CCCCCCCCCCCCOC1COC1 7a_100000210810_100009818527 [1,0,0,1,0,0|1,0,1]=4 2785 B17R1.10629 CCCCCCCCCCCCOC1(CC1)C 7a_100011725673_100000759014 [1,0,0,1,0,0|1,0,1]=4 2786 B17R1.24253 CNC(=O)OCCOCC1CCCCCCC1 34a_100011216312_200011997002 [1,0,0,1,0,0|2,0,0]=4 2787 B17R1.24253 CNC(=O)OCCOCC1CCCCCCC1 7a_100011216312_200011997002 [1,0,0,1,0,0|2,0,0]=4 2788 B17R1.25295 CCCCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100011214924 [1,0,0,1,0,0|2,0,0]=4 2789 B17R1.25295 CCCCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210670 [1,0,0,1,0,0|2,0,0]=4 2790 B17R1.26472 CCC(=O)NCCNC1CCCCCCCC1 270004a_100132302217_100000038600 [1,0,0,1,0,0|2,0,0]=4 2791 B17R1.26506 CCC(=O)OCCOCCN1CCCCCC1 7a_200000031056_100000722644 [1,0,0,1,0,0|2,0,0]=4 2792 B17R1.26506 CNC(=O)OCCNCCC1CCCCCC1 34a_100011532351_200011997002 [1,0,0,1,0,0|2,0,0]=4 2793 B17R1.180031 CC(CO)OC1CCCCCCCCCCC1 34a_100000211378_100012180447 [1,0,0,1,0,0|1,0,1]=4 2794 B17R1.180031 CC(CO)OC1CCCCCCCCCCC1 7a_100000211378_100012180447 [1,0,0,1,0,0|1,0,1]=4 2795 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000210414 [1,0,0,1,0,0|1,0,0]=3 2796 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000210414 [1,0,0,1,0,0|1,0,0]=3 2797 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000210414 [1,0,0,1,0,0|1,0,0]=3 2798 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000210414 [1,0,0,1,0,0|1,0,0]=3 2799 B17R1.180031 CCC(C)OC1CCCCCCCCCCC1 34a_100000211378_100011215416 [1,0,0,1,0,0|1,0,1]=4 2800 B17R1.180031 CCC(C)OC1CCCCCCCCCCC1 7a_100000211378_100000758301 [1,0,0,1,0,0|1,0,1]=4 2801 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 2708a_100011194316_106832991635 [1,0,0,1,0,0|2,0,0]=4 2802 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 2708a_100102657272_100011194316 [1,0,0,1,0,0|2,0,0]=4 2803 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 273464a_100011194316_100102657272 [1,0,0,1,0,0|2,0,0]=4 2804 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 273464a_100102657272_100011194316 [1,0,0,1,0,0|2,0,0]=4 2805 B17R1.180031 O=C(CO)NC1CCCCCCCCCCC1 240690a_100011194316_100000210174 [1,0,0,1,0,0|1,0,0]=3 2806 B17R1.180031 O=C(CO)NC1CCCCCCCCCCC1 527a_100011194316_100000210174 [1,0,0,1,0,0|1,0,0]=3 2807 B17R1.1422 CCC1CCCCN1CCCNC(=O)[C@@H](C)O 240690a_100011191702_100000717761 [1,0,0,1,0,0|2,0,0]=4 2808 B17R1.1422 CCC1CCCCN1CCCNC(=O)[C@H](C)O 1626a_100011191702_217856618621 [1,0,0,1,0,0|2,0,0]=4 2809 B17R1.1422 CCC1CCCCN1CCCNC(=O)[C@H](C)O 240690a_100011191702_217856618621 [1,0,0,1,0,0|2,0,0]=4 2810 B17R1.4488 CC(C)C(=O)COCCCCC1CCCCC1 34a_100011215267_100000753385 [1,0,0,1,0,0|2,0,0]=4 2811 B17R1.4488 CC(C)C(=O)COCCCCC1CCCCC1 7a_100011215267_100000753385 [1,0,0,1,0,0|2,0,0]=4 2812 B17R1.4488 CC(C)C(=O)OCSCCCC1CCCCC1 62a_100000139345_100011713725 [1,0,0,1,0,0|2,0,0]=4 2813 B17R1.4488 CC(C)C(=O)OCSCCCC1CCCCC1 62a_100011713725_100000139345 [1,0,0,1,0,0|2,0,0]=4 2814 B17R1.4488 C[C@@H](O)C(=O)NCCCCCN1CCCCC1 240690a_100000754421_100000717761 [1,0,0,1,0,0|2,0,0]=4 2815 B17R1.4488 C[C@H](O)C(=O)NCCCCCN1CCCCC1 240690a_100000754421_217856618621 [1,0,0,1,0,0|2,0,0]=4 2816 B17R1.11019 C=CCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100011093070 [1,0,0,1,0,0|0,0,2]=4 2817 B17R1.11019 CCCCC#CCCCCCCC(=O)C1CO1 1458a_100000701028_200000043322 [1,0,0,1,0,0|0,0,2]=4 2818 B17R1.11019 CCCCCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000759014 [1,0,0,1,0,0|1,0,0]=3 2819 B17R1.11019 CCCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000759014 [1,0,0,1,0,0|0,0,0]=2 2820 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 11a_200011215754_100000210395 [1,0,0,1,0,0|2,0,0]=4 2821 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 1626a_200011215754_100000210395 [1,0,0,1,0,0|2,0,0]=4 2822 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 240690a_200011215754_100000210395 [1,0,0,1,0,0|2,0,0]=4 2823 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 527a_200011215754_100000210395 [1,0,0,1,0,0|2,0,0]=4 2824 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 11a_200011215754_100000701028 [1,0,0,1,0,0|1,0,0]=3 2825 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 1626a_200011215754_100000701028 [1,0,0,1,0,0|1,0,0]=3 2826 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 240690a_200011215754_100000701028 [1,0,0,1,0,0|1,0,0]=3 2827 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 527a_200011215754_100000701028 [1,0,0,1,0,0|1,0,0]=3 2828 B17R1.11019 CCCCCCCCCCNCC(=O)C1CC1 2230a_100000684558_100000746382 [1,0,0,1,0,0|2,0,0]=4 2829 B17R1.11019 CCCCCCCCCCNCC(=O)C1CC1 34a_100000684558_100000746382 [1,0,0,1,0,0|2,0,0]=4 2830 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 34a_100000210711_100000746382 [1,0,0,1,0,0|2,0,0]=4 2831 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210320 [1,0,0,1,0,0|2,0,0]=4 2832 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 7a_100000210711_100000746382 [1,0,0,1,0,0|2,0,0]=4 2833 B17R1.11019 CCCCCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210320 [1,0,0,1,0,0|2,0,0]=4 2834 B17R1.11019 CCCCCCCCCNCOC(=O)C1CC1 2230a_100000212291_100000140896 [1,0,0,1,0,0|2,0,0]=4 2835 B17R1.11019 CCCCCCCCCNCOC(=O)C1CC1 34a_100000212291_100000140896 [1,0,0,1,0,0|2,0,0]=4 2836 B17R1.11019 CCCCCCCCCOCOC(=O)C1CC1 34a_100000210712_100000140896 [1,0,0,1,0,0|2,0,0]=4 2837 B17R1.11019 CCCCCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210670 [1,0,0,1,0,0|2,0,0]=4 2838 B17R1.11019 O=C(CCCCCCCCCCCO)C1CC1 1458a_100000210395_100009812471 [1,0,0,1,0,0|2,0,0]=4 2839 B17R1.11019 O=C(CCCCCCCCCCCO)C1CO1 1458a_100000701028_100009812471 [1,0,0,1,0,0|1,0,0]=3 2840 B17R1.11019 O=C(NCCCCCCCCCCO)C1CO1 240690a_100000066964_100000701028 [1,0,0,1,0,0|2,0,0]=4 2841 B17R1.36434 C[C@@H](O)C(=O)NCCCCN1CCCCCC1 240690a_100011207362_100000717761 [1,0,0,1,0,0|2,0,0]=4 2842 B17R1.36434 C[C@H](O)C(=O)NCCCCN1CCCCCC1 1626a_100011207362_217856618621 [1,0,0,1,0,0|2,0,0]=4 2843 B17R1.36434 C[C@H](O)C(=O)NCCCCN1CCCCCC1 240690a_100011207362_217856618621 [1,0,0,1,0,0|2,0,0]=4 2844 B17R1.104699 CC(C)C(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000753385 [1,0,0,1,0,0|2,0,0]=4 2845 B17R1.104699 CC(C)C(=O)CNCCC1CCCCCCC1 34a_100011532352_100000753385 [1,0,0,1,0,0|2,0,0]=4 2846 B17R1.4140 CCCCCCCCCCCCN1CC(C1)O 269982a_100000749847_100000759014 [1,0,0,1,0,0|1,0,1]=4 2847 B17R1.4165 CCCCCCCC1CCCC1NCC(C)O 269862a_100000210904_200011216720 [1,0,0,1,0,0|1,0,1]=4 2848 B17R1.4165 CCCCCCCC1CCCC1NCC(C)O 270004a_100000210904_200011216720 [1,0,0,1,0,0|1,0,1]=4 2849 B17R1.16233 CC(C)COC1CCCCCCCCCCC1 34a_100000211378_100000210624 [1,0,0,1,0,0|1,0,1]=4 2850 B17R1.16233 CC(C)COC1CCCCCCCCCCC1 7a_100000211378_100000210760 [1,0,0,1,0,0|1,0,1]=4 2851 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 2230a_100011194316_100011218427 [1,0,0,1,0,0|1,0,1]=4 2852 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 270004a_100000210904_100000210130 [1,0,0,1,0,0|1,0,1]=4 2853 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 34a_100011194316_100011218427 [1,0,0,1,0,0|1,0,1]=4 2854 B17R1.16233 CC(O)COC1CCCCCCCCCCC1 34a_100000211378_100011218427 [1,0,0,1,0,0|0,0,1]=3 2855 B17R1.16233 CC(O)COC1CCCCCCCCCCC1 7a_100000211378_100011218427 [1,0,0,1,0,0|0,0,1]=3 2856 B17R1.16233 C[C@@H](O)CNC1CCCCCCCCCCC1 2230a_100011194316_100009817552 [1,0,0,1,0,0|1,0,1]=4 2857 B17R1.16233 C[C@@H](O)CNC1CCCCCCCCCCC1 34a_100011194316_100009817552 [1,0,0,1,0,0|1,0,1]=4 2858 B17R1.16233 C[C@@H](O)COC1CCCCCCCCCCC1 34a_100000211378_100009817552 [1,0,0,1,0,0|0,0,1]=3 2859 B17R1.16233 C[C@@H](O)COC1CCCCCCCCCCC1 7a_100000211378_100009817552 [1,0,0,1,0,0|0,0,1]=3 2860 B17R1.25267 CCCCCCCCCN1CCOC[C@@H](C1)O 2230a_100016073750_100011214924 [1,0,0,1,0,0|1,0,1]=4 2861 B17R1.25267 CCCCCCCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000210670 [1,0,0,1,0,0|1,0,1]=4 2862 B17R1.29093 BrCCCCCCCCCCCOCC1CO1 34a_100009812471_102125554688 [1,0,0,1,0,0|1,0,1]=4 2863 B17R1.29093 BrCCCCCCCCCCCOCC1CO1 7a_100009812471_102125554688 [1,0,0,1,0,0|1,0,1]=4 2864 B17R1.29093 BrCCCCCCCCCCCOC[C@@H]1CO1 7a_100009812471_100000745022 [1,0,0,1,0,0|1,0,1]=4 2865 B17R1.29093 CCCCCCCCCCCCNCC1CO1 2230a_100000210451_100011216344 [1,0,0,1,0,0|1,0,1]=4 2866 B17R1.29093 CCCCCCCCCCCCNCC1CO1 34a_100000210451_102125554688 [1,0,0,1,0,0|1,0,1]=4 2867 B17R1.29093 CCCCCCCCCCCCOCC1CC1 34a_100000210810_100000742324 [1,0,0,1,0,0|1,0,1]=4 2868 B17R1.29093 CCCCCCCCCCCCOCC1CC1 34a_100000211283_100000759014 [1,0,0,1,0,0|1,0,1]=4 2869 B17R1.29093 CCCCCCCCCCCCOCC1CC1 7a_100000210810_100000742324 [1,0,0,1,0,0|1,0,1]=4 2870 B17R1.29093 CCCCCCCCCCCCOCC1CO1 34a_100000210810_102125554688 [1,0,0,1,0,0|0,0,1]=3 2871 B17R1.29093 CCCCCCCCCCCCOCC1CO1 7a_100000210810_102125554688 [1,0,0,1,0,0|0,0,1]=3 2872 B17R1.29093 CCCCCCCCCCCCOCC1CS1 7a_100000210810_100000031435 [1,0,0,1,0,0|0,1,1]=4 2873 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000759014 [1,0,0,1,0,0|0,0,1]=3 2874 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 7a_100000210810_100000745022 [1,0,0,1,0,0|0,0,1]=3 2875 B17R1.29093 CCCCCCCCCCCCSCC1CO1 62a_102125554688_100000759014 [1,0,0,1,0,0|0,1,1]=4 2876 B17R1.29093 CCCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000759014 [1,0,0,1,0,0|0,1,1]=4 2877 B17R1.29093 CCCCCCCOCCCCOCC1CO1 34a_100010889290_100000210614 [1,0,0,1,0,0|1,0,1]=4 2878 B17R1.29093 CCCCCCCOCCCCOCC1CO1 7a_100010889290_100000210614 [1,0,0,1,0,0|1,0,1]=4 2879 B17R1.29093 CCOCCCCCCCCCOCC1CO1 34a_100009875440_102125554688 [1,0,0,1,0,0|1,0,1]=4 2880 B17R1.29093 CCOCCCCCCCCCOCC1CO1 7a_100009875440_102125554688 [1,0,0,1,0,0|1,0,1]=4 2881 B17R1.29093 CCOCCCCCCCCCOC[C@@H]1CO1 7a_100009875440_100000745022 [1,0,0,1,0,0|1,0,1]=4 2882 B17R1.29093 OCCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100009812471 [1,0,0,1,0,0|1,0,1]=4 2883 B19R1.68512 CCCCCCCCCCCCCC(=O)CC1CO1 1458a_100000756256_100011216344 [0,0,0,1,0,1|1,0,0]=3 2884 B19R1.68512 CCCCCCCCCCCCCC(=O)CC1CS1 1458a_100000756256_100000031435 [0,0,0,1,0,1|1,1,0]=4 2885 B19R1.68512 CCCCCCCCCCCCCC(=O)C[C@@H]1CO1 1458a_100000756256_100000745022 [0,0,0,1,0,1|1,0,0]=3 2886 B19R1.68512 CCCCCCCCCCCCCC(=O)NC1CC1 1626a_100000212008_100000756256 [0,0,0,1,0,1|2,0,0]=4 2887 B19R1.68512 CCCCCCCCCCCCCC(=O)NC1CC1 240690a_100000212008_100000756256 [0,0,0,1,0,1|2,0,0]=4 2888 B19R1.68512 CCCCCCCCCCCCNC(=O)CC1CC1 11a_100000210451_100000738066 [0,0,0,1,0,1|2,0,0]=4 2889 B19R1.68512 CCCCCCCCCCCCNC(=O)CC1CC1 1626a_100000210451_100000738066 [0,0,0,1,0,1|2,0,0]=4 2890 B19R1.68512 CCCCCCCCCCCCNC(=O)CC1CC1 240690a_100000210451_100000738066 [0,0,0,1,0,1|2,0,0]=4 2891 B19R1.68512 CCCCCCCCCCCCNC(=O)CC1CC1 527a_100000210451_100000738066 [0,0,0,1,0,1|2,0,0]=4 2892 B19R1.68512 CCCCCCCCCCCCNC(=O)NC1CC1 2708a_100000210451_100000212008 [0,0,0,1,0,1|2,0,0]=4 2893 B19R1.68512 CCCCCCCCCCCCNC(=O)NC1CC1 2708a_100000212008_100000210451 [0,0,0,1,0,1|2,0,0]=4 2894 B19R1.68512 CCCCCCCCCCCCNC(=O)NC1CC1 273464a_100000210451_100000212008 [0,0,0,1,0,1|2,0,0]=4 2895 B19R1.68512 CCCCCCCCCCCCNC(=O)NC1CC1 273464a_100000212008_100000210451 [0,0,0,1,0,1|2,0,0]=4 2896 B19R1.68512 CCCCCCCCCCCCNC(=O)NC1CC1 512a_100000212008_100000210451 [0,0,0,1,0,1|2,0,0]=4 2897 B19R1.281406 CC(C)CC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000210554 [0,0,0,1,0,1|2,0,0]=4 2898 B19R1.281406 CC(C)CC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000210554 [0,0,0,1,0,1|2,0,0]=4 2899 B19R1.281406 CC(C)CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000210554 [0,0,0,1,0,1|2,0,0]=4 2900 B19R1.281406 CC(C)CC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000210554 [0,0,0,1,0,1|2,0,0]=4 2901 B19R1.281406 CC(C)NC(=O)NC1CCCCCCCCCCC1 2708a_100011194316_100138425928 [0,0,0,1,0,1|2,0,0]=4 2902 B19R1.281406 CC(C)NC(=O)NC1CCCCCCCCCCC1 2708a_100138425928_100011194316 [0,0,0,1,0,1|2,0,0]=4 2903 B19R1.281406 CC(C)NC(=O)NC1CCCCCCCCCCC1 273464a_100138425928_100011194316 [0,0,0,1,0,1|2,0,0]=4 2904 B19R1.281406 C[C@@H](O)CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100011933948 [0,0,0,1,0,1|1,0,0]=3 2905 B19R1.878881 CCCCCCCCCCCCCC(=O)C1CC1C 1458a_100000211227_100000210684 [0,0,0,1,0,1|2,0,0]=4 2906 B19R1.878881 CCCCCCCCCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210684 [0,0,0,1,0,1|2,0,0]=4 2907 B19R1.878881 CCCCCCCCCCCCNC(=O)C1CC1C 11a_100000210451_100000211227 [0,0,0,1,0,1|2,0,0]=4 2908 B19R1.878881 CCCCCCCCCCCCNC(=O)C1CC1C 1626a_100000210451_100000211227 [0,0,0,1,0,1|2,0,0]=4 2909 B19R1.878881 CCCCCCCCCCCCNC(=O)C1CC1C 527a_100000210451_100000211227 [0,0,0,1,0,1|2,0,0]=4 2910 B19R1.878881 CCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000210451_100015396687 [0,0,0,1,0,1|2,0,0]=4 2911 B19R1.878881 CCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000210451_100015396687 [0,0,0,1,0,1|2,0,0]=4 2912 B19R1.878881 CCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000210451_100015396687 [0,0,0,1,0,1|2,0,0]=4 2913 B19R1.73815 C=C(C)C(=O)OCCNCCC1CCCCCCC1 2230a_100011532352_100009816335 [0,1,0,1,0,0|1,0,1]=4 2914 B19R1.73815 C=C(C)C(=O)OCCNCCC1CCCCCCC1 34a_100011532352_100009816335 [0,1,0,1,0,0|1,0,1]=4 2915 B19R1.4093 C=C(C)C(=O)OCCCCCCNC1CCCCC1 2230a_100000182618_200010402237 [0,1,0,1,0,0|1,0,1]=4 2916 B19R1.4093 C=C(C)C(=O)OCCCCCCNC1CCCCC1 34a_100000182618_200010402237 [0,1,0,1,0,0|1,0,1]=4 2917 B19R1.4093 C=C(C)C(=O)OCCCCCCOC1CCCCC1 34a_100000210231_200010402237 [0,1,0,1,0,0|1,0,1]=4 2918 B19R1.4093 C=C(C)C(=O)OCCCCCCOC1CCCCC1 7a_100000210231_200010402237 [0,1,0,1,0,0|1,0,1]=4 2919 B19R1.4093 C=C(C)C(=O)OCCCCCCSC1CCCCC1 62a_100000210327_200010402237 [0,1,0,1,0,0|1,0,1]=4 2920 B19R1.4093 C=C(C)C(=O)OCCCCCCSC1CCCCC1 62a_200010402237_100000210327 [0,1,0,1,0,0|1,0,1]=4 2921 B19R1.4093 C=C(C)C(=O)OCCCCOCCC1CCCCC1 7a_100000065474_100011273959 [0,1,0,1,0,0|1,0,1]=4 2922 B19R1.4093 C=C(C)C(=O)OCCCOCCCC1CCCCC1 7a_100000032641_100011713725 [0,1,0,1,0,0|1,0,1]=4 2923 B19R1.4093 C=C(C)C(=O)OCCOCCCCC1CCCCC1 34a_100011215267_100009816335 [0,1,0,1,0,0|1,0,1]=4 2924 B19R1.4093 C=C(C)C(=O)OCCOCCCCC1CCCCC1 7a_100011215267_100009816335 [0,1,0,1,0,0|1,0,1]=4 2925 B19R1.4257 CCCCCC1CCCC1NCCNC(=O)C(C)C 269862a_100000752568_200000198059 [0,1,0,1,0,0|2,0,0]=4 2926 B19R1.4257 CCCCCC1CCCC1NCCNC(=O)C(C)C 270004a_100000752568_200000198059 [0,1,0,1,0,0|2,0,0]=4 2927 B19R1.8022 C=C(C)C(=O)OCCCCCCN1CCCC1CC 2230a_100000754278_200010402237 [0,1,0,1,0,0|1,0,1]=4 2928 B19R1.8022 C=C(C)C(=O)OCCCCCCN1CCCC1CC 269982a_100000754278_200010402237 [0,1,0,1,0,0|1,0,1]=4 2929 B19R1.8022 C=C(C)C(=O)OCCCCCCN1CCCC1CC 34a_100000754278_200010402237 [0,1,0,1,0,0|1,0,1]=4 2930 B19R1.10574 C=C(C)C(=O)OCCCCCCN1CCCCC1C 2230a_100000211376_200010402237 [0,1,0,1,0,0|1,0,1]=4 2931 B19R1.10574 C=C(C)C(=O)OCCCCCCN1CCCCC1C 269982a_100000211376_200010402237 [0,1,0,1,0,0|1,0,1]=4 2932 B19R1.10574 C=C(C)C(=O)OCCCCCCN1CCCCC1C 34a_100000211376_200010402237 [0,1,0,1,0,0|1,0,1]=4 2933 B19R1.10917 C=C(C)C(=O)OCCCCCCOC1CCCC1C 34a_100011216460_200010402237 [0,1,0,1,0,0|1,0,1]=4 2934 B19R1.10917 C=C(C)C(=O)OCCCCCCOC1CCCC1C 7a_100011216460_200010402237 [0,1,0,1,0,0|1,0,1]=4 2935 B19R1.15489 CCCCCCCCCCCc1noc(n1)[C@@H](C)O 270196a_100000749962_100000717761 [0,1,0,1,0,0|1,0,1]=4 2936 B19R1.15489 CCCCCCCCCCCc1noc(n1)[C@H](C)O 270196a_100000749962_217856618621 [0,1,0,1,0,0|1,0,1]=4 2937 B19R1.26567 C=C(C)C(=O)OCCCCCCNCC1CCCC1 2230a_100000737975_200010402237 [0,1,0,1,0,0|1,0,1]=4 2938 B19R1.26567 C=C(C)C(=O)OCCCCCCNCC1CCCC1 34a_100000737975_200010402237 [0,1,0,1,0,0|1,0,1]=4 2939 B19R1.26567 C=C(C)C(=O)OCCCCCCOCC1CCCC1 34a_100000742336_200010402237 [0,1,0,1,0,0|1,0,1]=4 2940 B19R1.26567 C=C(C)C(=O)OCCCCCCOCC1CCCC1 7a_100000742336_200010402237 [0,1,0,1,0,0|1,0,1]=4 2941 B19R1.26567 C=C(C)C(=O)OCCCCCCSCC1CCCC1 62a_100000740388_200010402237 [0,1,0,1,0,0|1,0,1]=4 2942 B19R1.26567 C=C(C)C(=O)OCCCCCCSCC1CCCC1 62a_200010402237_100000740388 [0,1,0,1,0,0|1,0,1]=4 2943 B19R1.26567 C=C(C)C(=O)OCCCCOCCCC1CCCC1 7a_100000065474_100011713738 [0,1,0,1,0,0|1,0,1]=4 2944 B19R1.26567 C[C@@H](O)C(=O)CCCCCCCCCC1OCCO1 1458a_100000717761_103619048131 [0,1,0,1,0,0|2,0,0]=4 2945 B19R1.26567 C[C@H](O)C(=O)CCCCCCCCCC1OCCO1 1458a_217856618621_103619048131 [0,1,0,1,0,0|2,0,0]=4 2946 B19R1.53163 CCCCCCCCCCCNC1C=C(C(=O)O1)C 2230a_200011215754_200009893386 [0,1,0,1,0,0|1,0,1]=4 2947 B19R1.53163 CCCCCCCCCCCSC1C=C(C(=O)O1)C 62a_200009893386_100011215454 [0,1,0,1,0,0|1,0,1]=4 2948 B19R1.68314 CCCCCCCCCCN1CCNC(=O)C1(C)C 2230a_100000751695_100000210320 [0,1,0,1,0,0|2,0,0]=4 2949 B19R1.68314 CCCCCCCCCCN1CCNC(=O)C1(C)C 269982a_100000751695_100000210320 [0,1,0,1,0,0|2,0,0]=4 2950 B19R1.68314 CCCCCCCCCCN1CCNC(=O)C1(C)C 34a_100000751695_100000210320 [0,1,0,1,0,0|2,0,0]=4 2951 B19R1.73955 CC(=O)C(=O)COC1CCCCCCCCCCC1 34a_100000211378_100011261029 [0,1,0,1,0,0|0,0,2]=4 2952 B19R1.73955 CC(C)C(=O)CNC1CCCCCCCCCCC1 2230a_100011194316_100000753385 [0,1,0,1,0,0|2,0,0]=4 2953 B19R1.73955 CC(C)C(=O)CNC1CCCCCCCCCCC1 34a_100011194316_100000753385 [0,1,0,1,0,0|2,0,0]=4 2954 B19R1.73955 CC(C)C(=O)COC1CCCCCCCCCCC1 34a_100000211378_100000753385 [0,1,0,1,0,0|1,0,0]=3 2955 B19R1.73955 CC(C)C(=O)COC1CCCCCCCCCCC1 7a_100000211378_100000753385 [0,1,0,1,0,0|1,0,0]=3 2956 B19R1.73955 CN(C)C(=O)COC1CCCCCCCCCCC1 34a_100000211378_100000692301 [0,1,0,1,0,0|2,0,0]=4 2957 B19R1.73955 CN(C)C(=O)COC1CCCCCCCCCCC1 7a_100000211378_100000692301 [0,1,0,1,0,0|2,0,0]=4 2958 B19R1.142161 CCCCCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100011215471 [0,1,0,1,0,0|1,0,0]=3 2959 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CC1 11a_100011215765_100000210395 [0,1,0,1,0,0|2,0,0]=4 2960 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CC1 1626a_100011215765_100000210395 [0,1,0,1,0,0|2,0,0]=4 2961 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CC1 240690a_100011215765_100000210395 [0,1,0,1,0,0|2,0,0]=4 2962 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CC1 527a_100011215765_100000210395 [0,1,0,1,0,0|2,0,0]=4 2963 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CO1 11a_100011215765_100000701028 [0,1,0,1,0,0|1,0,0]=3 2964 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CO1 1626a_100011215765_100000701028 [0,1,0,1,0,0|1,0,0]=3 2965 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CO1 240690a_100011215765_100000701028 [0,1,0,1,0,0|1,0,0]=3 2966 B19R1.142161 CCCCCCCCCCCCCNC(=O)C1CO1 527a_100011215765_100000701028 [0,1,0,1,0,0|1,0,0]=3 2967 B19R1.142161 CCCCCCCCCCCCNCC(=O)C1CC1 2230a_100000210451_100000746382 [0,1,0,1,0,0|2,0,0]=4 2968 B19R1.142161 CCCCCCCCCCCCNCC(=O)C1CC1 34a_100000210451_100000746382 [0,1,0,1,0,0|2,0,0]=4 2969 B19R1.142161 CCCCCCCCCCCCOCC(=O)C1CC1 34a_100000210810_100000746382 [0,1,0,1,0,0|1,0,0]=3 2970 B19R1.142161 CCCCCCCCCCCCOCC(=O)C1CC1 34a_100000686663_100000759014 [0,1,0,1,0,0|1,0,0]=3 2971 B19R1.142161 CCCCCCCCCCCCOCC(=O)C1CC1 7a_100000210810_100000746382 [0,1,0,1,0,0|1,0,0]=3 2972 B19R1.142161 CCCCCCCCCCCCSCC(=O)C1CC1 62a_100000746382_100000759014 [0,1,0,1,0,0|1,1,0]=4 2973 B19R1.142161 CCCCCCCCCCCNCOC(=O)C1CC1 2230a_200011215754_100000140896 [0,1,0,1,0,0|1,0,0]=3 2974 B19R1.142161 CCCCCCCCCCCNCOC(=O)C1CC1 34a_200011215754_100000140896 [0,1,0,1,0,0|1,0,0]=3 2975 B19R1.142161 CCCCCCCCCCCOCOC(=O)C1CC1 34a_100000210809_100000140896 [0,1,0,1,0,0|1,0,0]=3 2976 B19R1.142161 CCCCCCCCCCCSCOC(=O)C1CC1 62a_100000140896_100011215454 [0,1,0,1,0,0|1,0,0]=3 2977 B19R1.142161 CCOCCCCCCCCCOCC(=O)C1CC1 34a_100009875440_100000746382 [0,1,0,1,0,0|2,0,0]=4 2978 B19R1.142161 CCOCCCCCCCCCOCC(=O)C1CC1 7a_100009875440_100000746382 [0,1,0,1,0,0|2,0,0]=4 2979 B19R1.142161 NCCCCCCCCCCOCOC(=O)C1CC1 34a_100000066964_100000140896 [0,1,0,1,0,0|2,0,0]=4 2980 B19R1.142161 O=C(CCCCCCCCCCCCCO)C1CC1 1458a_100000210395_100009812470 [0,1,0,1,0,0|2,0,0]=4 2981 B19R1.142161 O=C(CCCCCCCCCCCCCO)C1CO1 1458a_100000701028_100009812470 [0,1,0,1,0,0|1,0,0]=3 2982 B19R1.142161 O=C(COCCCCCCCCCCCBr)C1CC1 34a_100009812471_100000746382 [0,1,0,1,0,0|2,0,0]=4 2983 B19R1.142161 O=C(COCCCCCCCCCCCBr)C1CC1 7a_100009812471_100000746382 [0,1,0,1,0,0|2,0,0]=4 2984 B19R1.142161 O=C(COCCCCCCCCCCCO)C1CC1 34a_100000686663_100009812471 [0,1,0,1,0,0|2,0,0]=4 2985 B19R1.142161 O=C(NCCCCCCCCCCCCO)C1CC1 240690a_100000066677_100000210395 [0,1,0,1,0,0|2,0,0]=4 2986 B19R1.142161 O=C(NCCCCCCCCCCCCO)C1CO1 240690a_100000066677_100000701028 [0,1,0,1,0,0|1,0,0]=3 2987 B19R1.142161 O=C(OCNCCCCCCCCCCO)C1CC1 2230a_100000066964_100000140896 [0,1,0,1,0,0|2,0,0]=4 2988 B19R1.142161 O=C(OCNCCCCCCCCCCO)C1CC1 34a_100000066964_100000140896 [0,1,0,1,0,0|2,0,0]=4 2989 B19R1.142161 O=C(OCOCCCCCCCCCCBr)C1CC1 34a_100009813290_100000140896 [0,1,0,1,0,0|2,0,0]=4 2990 B19R1.142161 O=C(OCOCCCCCCCCCCCl)C1CC1 34a_200000033068_100000140896 [0,1,0,1,0,0|2,0,0]=4 2991 B19R1.142161 O=C(OCSCCCCCCCCCCO)C1CC1 62a_100000140896_200000033068 [0,1,0,1,0,0|2,0,0]=4 2992 B19R1.142161 O=C(OCSCCCCCCCCCCO)C1CC1 62a_100009813290_100000140896 [0,1,0,1,0,0|2,0,0]=4 2993 B19R1.283105 C=C(C)C(=O)OCCCCCCN1CCCCCC1 2230a_100000185865_200010402237 [0,1,0,1,0,0|1,0,1]=4 2994 B19R1.283105 C=C(C)C(=O)OCCCCCCN1CCCCCC1 269982a_100000185865_200010402237 [0,1,0,1,0,0|1,0,1]=4 2995 B19R1.283105 C=C(C)C(=O)OCCCCCCN1CCCCCC1 34a_100000185865_200010402237 [0,1,0,1,0,0|1,0,1]=4 2996 B19R1.283105 C=C(C)C(=O)OCCCCOCC1CCCCCC1 7a_100000065474_200000696569 [0,1,0,1,0,0|1,0,1]=4 2997 B19R1.46518 CCCCCCCCCCCCOC1COCC1O 34a_100000210810_200000725654 [0,1,0,1,0,0|0,0,2]=4 2998 B19R1.46518 CCCCCCCCCCCCOC1COCC1O 7a_100000210810_200000725654 [0,1,0,1,0,0|0,0,2]=4 2999 B19R1.68510 CCCCCCCCCCCCCC(=O)C1CCO1 1458a_100000089072_100000210684 [0,1,0,1,0,0|1,0,0]=3 3000 B19R1.68510 CCCCCCCCCCCCCC(=O)C1COC1 1458a_100000756256_100000687716 [0,1,0,1,0,0|1,0,0]=3 3001 B19R1.68510 CCCCCCCCCCCCCC(=O)C1COC1 1458a_100000758290_100000210684 [0,1,0,1,0,0|1,0,0]=3 3002 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCC1 11a_100000210451_100000209988 [0,1,0,1,0,0|2,0,0]=4 3003 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCC1 1626a_100000210451_100000209988 [0,1,0,1,0,0|2,0,0]=4 3004 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCC1 240690a_100000210451_100000209988 [0,1,0,1,0,0|2,0,0]=4 3005 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCC1 527a_100000210451_100000209988 [0,1,0,1,0,0|2,0,0]=4 3006 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCO1 11a_100000210451_100000089072 [0,1,0,1,0,0|1,0,0]=3 3007 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCO1 1626a_100000210451_100000089072 [0,1,0,1,0,0|1,0,0]=3 3008 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCO1 240690a_100000210451_100000089072 [0,1,0,1,0,0|1,0,0]=3 3009 B19R1.68510 CCCCCCCCCCCCNC(=O)C1CCO1 527a_100000210451_100000089072 [0,1,0,1,0,0|1,0,0]=3 3010 B19R1.68510 CCCCCCCCCCCCNC(=O)C1COC1 11a_100000210451_100000758290 [0,1,0,1,0,0|1,0,0]=3 3011 B19R1.68510 CCCCCCCCCCCCNC(=O)C1COC1 1626a_100000210451_100000758290 [0,1,0,1,0,0|1,0,0]=3 3012 B19R1.68510 CCCCCCCCCCCCNC(=O)C1COC1 240690a_100000210451_100000758290 [0,1,0,1,0,0|1,0,0]=3 3013 B19R1.68510 CCCCCCCCCCCCNC(=O)C1COC1 527a_100000210451_100000758290 [0,1,0,1,0,0|1,0,0]=3 3014 B19R1.68510 O=C(CCCCCCCCCCCCO)C1CCO1 1458a_100000089072_100009813331 [0,1,0,1,0,0|2,0,0]=4 3015 B19R1.68510 O=C(CCCCCCCCCCCCO)C1COC1 1458a_100000758290_100009813331 [0,1,0,1,0,0|2,0,0]=4 3016 B19R1.68511 CCCCCCCCCCCCCC(=O)C1(CC1)F 1458a_100000055089_100000210684 [0,1,0,1,0,0|2,0,0]=4 3017 B19R1.68511 CCCCCCCCCCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210684 [0,1,0,1,0,0|1,0,0]=3 3018 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)C 11a_100000210451_100000756474 [0,1,0,1,0,0|2,0,0]=4 3019 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)C 1626a_100000210451_100000756474 [0,1,0,1,0,0|2,0,0]=4 3020 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)C 240690a_100000210451_100000756474 [0,1,0,1,0,0|2,0,0]=4 3021 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)C 527a_100000210451_100000756474 [0,1,0,1,0,0|2,0,0]=4 3022 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)F 11a_100000210451_100000055089 [0,1,0,1,0,0|2,0,0]=4 3023 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)F 1626a_100000210451_100000055089 [0,1,0,1,0,0|2,0,0]=4 3024 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)F 240690a_100000210451_100000055089 [0,1,0,1,0,0|2,0,0]=4 3025 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)F 527a_100000210451_100000055089 [0,1,0,1,0,0|2,0,0]=4 3026 B19R1.68511 CCCCCCCCCCCCNC(=O)C1(CC1)O 240690a_100000210451_100000241761 [0,1,0,1,0,0|1,0,0]=3 3027 B19R1.68511 O=C(CCCCCCCCCCCCO)C1(CC1)O 1458a_100000241761_100009813331 [0,1,0,1,0,0|2,0,0]=4 3028 B19R1.147300 C=CC(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100011216780 [0,1,0,1,0,0|2,0,0]=4 3029 B19R1.147300 C=CC(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100011216780 [0,1,0,1,0,0|2,0,0]=4 3030 B19R1.147300 C=CC(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100011216780 [0,1,0,1,0,0|2,0,0]=4 3031 B19R1.147300 C=CC(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100011216780 [0,1,0,1,0,0|2,0,0]=4 3032 B19R1.147300 CC(C#N)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000753662 [0,1,0,1,0,0|2,0,0]=4 3033 B19R1.147300 CC(C#N)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000753662 [0,1,0,1,0,0|2,0,0]=4 3034 B19R1.147300 CC(C#N)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000753662 [0,1,0,1,0,0|2,0,0]=4 3035 B19R1.147300 CC(C#N)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000753662 [0,1,0,1,0,0|2,0,0]=4 3036 B19R1.147300 CCC(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100011192722 [0,1,0,1,0,0|2,0,0]=4 3037 B19R1.147300 CCC(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100011192722 [0,1,0,1,0,0|2,0,0]=4 3038 B19R1.147300 CCC(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100011192722 [0,1,0,1,0,0|2,0,0]=4 3039 B19R1.147300 CCC(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100011192722 [0,1,0,1,0,0|2,0,0]=4 3040 B19R1.147300 CCC(O)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100011196387 [0,1,0,1,0,0|1,0,0]=3 3041 B19R1.147300 COC(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000743197 [0,1,0,1,0,0|1,0,0]=3 3042 B19R1.147300 COC(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000743197 [0,1,0,1,0,0|1,0,0]=3 3043 B19R1.147300 COC(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000743197 [0,1,0,1,0,0|1,0,0]=3 3044 B19R1.147300 COC(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000743197 [0,1,0,1,0,0|1,0,0]=3 3045 B19R1.147300 CSC(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000149566 [0,1,0,1,0,0|1,1,0]=4 3046 B19R1.147300 CSC(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000149566 [0,1,0,1,0,0|1,1,0]=4 3047 B19R1.147300 CSC(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000149566 [0,1,0,1,0,0|1,1,0]=4 3048 B19R1.147300 CSC(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000149566 [0,1,0,1,0,0|1,1,0]=4 3049 B19R1.147300 O=C(NC1CCCCCCCCCCC1)C(O)CO 240690a_100011194316_100011215603 [0,1,0,1,0,0|1,0,0]=3 3050 B19R1.26631 CC(C)(Br)C(=O)OCCOCCCC1CCCCC1 34a_100009817195_100011713725 [0,1,0,1,0,0|2,0,0]=4 3051 B19R1.26631 CC(C)(Br)C(=O)OCCOCCCC1CCCCC1 7a_100009817195_100011713725 [0,1,0,1,0,0|2,0,0]=4 3052 B19R1.283752 CC(C)(C)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_106744555173 [0,1,0,1,0,0|2,0,0]=4 3053 B19R1.283752 CC(C)(C)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_106744555173 [0,1,0,1,0,0|2,0,0]=4 3054 B19R1.283752 CC(C)(C)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_106744555173 [0,1,0,1,0,0|2,0,0]=4 3055 B19R1.283752 CC(C)(C)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_106744555173 [0,1,0,1,0,0|2,0,0]=4 3056 B19R1.283752 CC(C)(F)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000765255 [0,1,0,1,0,0|2,0,0]=4 3057 B19R1.283752 CC(C)(F)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000765255 [0,1,0,1,0,0|2,0,0]=4 3058 B19R1.283752 CC(C)(F)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000765255 [0,1,0,1,0,0|2,0,0]=4 3059 B19R1.283752 CC(C)(F)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000765255 [0,1,0,1,0,0|2,0,0]=4 3060 B19R1.283752 CC(C)(O)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000242741 [0,1,0,1,0,0|1,0,0]=3 3061 B19R1.283752 CC(F)(F)C(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000042251 [0,1,0,1,0,0|2,0,0]=4 3062 B19R1.283752 CC(F)(F)C(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000042251 [0,1,0,1,0,0|2,0,0]=4 3063 B19R1.283752 CC(F)(F)C(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000042251 [0,1,0,1,0,0|2,0,0]=4 3064 B19R1.283752 CC(F)(F)C(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000042251 [0,1,0,1,0,0|2,0,0]=4 3065 B19R1.115649 CCCCCCCCC(C)COCOC(=O)C1CC1 34a_200012125181_100000140896 [0,1,0,1,0,0|2,0,0]=4 3066 B19R1.314220 CCCCCCCCCC(C)OCOC(=O)C1CC1 34a_100011218016_100000140896 [0,1,0,1,0,0|2,0,0]=4 3067 B19R1.88918 CCCCCCCCCCCCC(C)C(=O)C1CC1 1458a_100000210395_200011217028 [0,1,0,1,0,0|2,0,0]=4 3068 B19R1.88918 CCCCCCCCCCCCC(C)C(=O)C1CO1 1458a_100000701028_200011217028 [0,1,0,1,0,0|1,0,0]=3 3069 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CC1 11a_100000227908_100000210395 [0,1,0,1,0,0|2,0,0]=4 3070 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CC1 1626a_100000227908_100000210395 [0,1,0,1,0,0|2,0,0]=4 3071 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CC1 240690a_100000227908_100000210395 [0,1,0,1,0,0|2,0,0]=4 3072 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CC1 527a_100000227908_100000210395 [0,1,0,1,0,0|2,0,0]=4 3073 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CO1 11a_100000227908_100000701028 [0,1,0,1,0,0|1,0,0]=3 3074 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CO1 1626a_100000227908_100000701028 [0,1,0,1,0,0|1,0,0]=3 3075 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CO1 240690a_100000227908_100000701028 [0,1,0,1,0,0|1,0,0]=3 3076 B19R1.88918 CCCCCCCCCCCCN(C)C(=O)C1CO1 527a_100000227908_100000701028 [0,1,0,1,0,0|1,0,0]=3 3077 B19R1.26165 CC(C)C(=O)OCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000139345 [0,1,0,1,0,0|1,0,1]=4 3078 B19R1.88915 CCCCCCCCCCC(=O)COC(=O)C1CC1 1458a_100000210375_100000140896 [0,1,0,1,0,0|1,0,1]=4 3079 B19R1.88915 CCCCCCCCCCN(C)COC(=O)C1CC1 2230a_100000207566_100000140896 [0,1,0,1,0,0|2,0,0]=4 3080 B19R1.88915 CCCCCCCCCCN(C)COC(=O)C1CC1 269982a_100000207566_100000140896 [0,1,0,1,0,0|2,0,0]=4 3081 B19R2.4502 C[C@@H](O)C(=O)N1CCCCC1C2CCCCN2C 240690a_200000079480_100000717761 [0,0,0,2,0,0|2,0,0]=4 3082 B19R2.4502 C[C@H](O)C(=O)N1CCCCC1C2CCCCN2C 240690a_200000079480_217856618621 [0,0,0,2,0,0|2,0,0]=4 3083 B19R2.18033 C[C@@H](O)C(=O)N1CCCCC1CN2CCCCC2 240690a_100020603746_100000717761 [0,0,0,2,0,0|2,0,0]=4 3084 B19R2.18033 C[C@H](O)C(=O)N1CCCCC1CN2CCCCC2 240690a_100020603746_217856618621 [0,0,0,2,0,0|2,0,0]=4 3085 B19R2.18079 C[C@@H](O)C(=O)N1CCCCC1CCN2CCCC2 240690a_200015183419_100000717761 [0,0,0,2,0,0|2,0,0]=4 3086 B19R2.18079 C[C@H](O)C(=O)N1CCCCC1CCN2CCCC2 1626a_200015183419_217856618621 [0,0,0,2,0,0|2,0,0]=4 3087 B19R2.18079 C[C@H](O)C(=O)N1CCCCC1CCN2CCCC2 240690a_200015183419_217856618621 [0,0,0,2,0,0|2,0,0]=4 3088 B19R2.2633 CC(C)C(=O)NC1CCCCC1C2CCCCC2 11a_200011339469_100000210198 [0,0,0,2,0,0|2,0,0]=4 3089 B19R2.2633 CC(C)C(=O)NC1CCCCC1C2CCCCC2 1626a_200011339469_100000210198 [0,0,0,2,0,0|2,0,0]=4 3090 B19R2.2633 CC(C)C(=O)NC1CCCCC1C2CCCCC2 240690a_200011339469_100000210198 [0,0,0,2,0,0|2,0,0]=4 3091 B19R2.2633 CC(C)C(=O)NC1CCCCC1C2CCCCC2 527a_200011339469_100000210198 [0,0,0,2,0,0|2,0,0]=4 3092 B19R2.2633 CC(F)C(=O)NC1CCCCC1C2CCCCC2 11a_200011339469_100000062450 [0,0,0,2,0,0|2,0,0]=4 3093 B19R2.2633 CC(F)C(=O)NC1CCCCC1C2CCCCC2 1626a_200011339469_100000062450 [0,0,0,2,0,0|2,0,0]=4 3094 B19R2.2633 CC(F)C(=O)NC1CCCCC1C2CCCCC2 240690a_200011339469_100000062450 [0,0,0,2,0,0|2,0,0]=4 3095 B19R2.2633 CC(F)C(=O)NC1CCCCC1C2CCCCC2 527a_200011339469_100000062450 [0,0,0,2,0,0|2,0,0]=4 3096 B19R2.2633 C[C@@H](O)C(=O)NC1CCCCC1C2CCCCC2 240690a_200011339469_100000717761 [0,0,0,2,0,0|1,0,0]=3 3097 B19R2.2633 C[C@H](O)C(=O)NC1CCCCC1C2CCCCC2 1626a_200011339469_217856618621 [0,0,0,2,0,0|1,0,0]=3 3098 B19R2.2633 C[C@H](O)C(=O)NC1CCCCC1C2CCCCC2 240690a_200011339469_217856618621 [0,0,0,2,0,0|1,0,0]=3 3099 B19R2.2633 O=C(NC1CCCCC1C2CCCCC2)C(O)O 240690a_200011339469_100000233687 [0,0,0,2,0,0|2,0,0]=4 3100 B19R2.113939 O=C(OCOCCCCC1CCCCC1)C2CC2 34a_100011215267_100000140896 [0,0,0,2,0,0|2,0,0]=4 3101 B19R2.1033933 O=C(OCNCCC1CCCCCCC1)C2CC2 2230a_100011532352_100000140896 [0,0,0,2,0,0|2,0,0]=4 3102 B19R2.1033933 O=C(OCNCCC1CCCCCCC1)C2CC2 34a_100011532352_100000140896 [0,0,0,2,0,0|2,0,0]=4 3103 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CC2 11a_100011194316_100000210395 [0,0,0,2,0,0|2,0,0]=4 3104 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CC2 1626a_100011194316_100000210395 [0,0,0,2,0,0|2,0,0]=4 3105 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CC2 240690a_100011194316_100000210395 [0,0,0,2,0,0|2,0,0]=4 3106 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CC2 527a_100011194316_100000210395 [0,0,0,2,0,0|2,0,0]=4 3107 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CO2 11a_100011194316_100000701028 [0,0,0,2,0,0|1,0,0]=3 3108 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CO2 1626a_100011194316_100000701028 [0,0,0,2,0,0|1,0,0]=3 3109 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CO2 240690a_100011194316_100000701028 [0,0,0,2,0,0|1,0,0]=3 3110 B19R2.1034607 O=C(NC1CCCCCCCCCCC1)C2CO2 527a_100011194316_100000701028 [0,0,0,2,0,0|1,0,0]=3 3111 B19R0.157 CC(O)CNC(=O)CCCCCCCCCCCCO 240690a_100000210904_100102582631 [0,0,0,0,0,2|2,0,0]=4 3112 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(C)C 11a_100000210953_100000756256 [0,0,0,0,0,2|2,0,0]=4 3113 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000756256 [0,0,0,0,0,2|2,0,0]=4 3114 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000756256 [0,0,0,0,0,2|2,0,0]=4 3115 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000756256 [0,0,0,0,0,2|1,0,0]=3 3116 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000756256 [0,0,0,0,0,2|1,0,0]=3 3117 B19R0.157 CCCCCCCCCCCCCC(=O)NNC(C)C 22a_100000741168_100000756256 [0,0,0,0,0,2|2,0,0]=4 3118 B19R0.157 CCCCCCCCCCCCNC(=O)C=CC(C)C 11a_100000210451_100016268746 [0,0,0,0,0,2|2,0,0]=4 3119 B19R0.157 CCCCCCCCCCCCNC(=O)C=CC(C)C 1626a_100000210451_100016268746 [0,0,0,0,0,2|2,0,0]=4 3120 B19R0.157 CCCCCCCCCCCCNC(=O)C=CC(C)C 240690a_100000210451_100016268746 [0,0,0,0,0,2|2,0,0]=4 3121 B19R0.157 CCCCCCCCCCCCNC(=O)CCC(C)C 11a_100000210451_100000181311 [0,0,0,0,0,2|2,0,0]=4 3122 B19R0.157 CCCCCCCCCCCCNC(=O)CCC(C)C 1626a_100000210451_100000181311 [0,0,0,0,0,2|2,0,0]=4 3123 B19R0.157 CCCCCCCCCCCCNC(=O)CCC(C)C 240690a_100000210451_100000181311 [0,0,0,0,0,2|2,0,0]=4 3124 B19R0.157 CCCCCCCCCCCCNC(=O)CCC(C)C 527a_100000210451_100000181311 [0,0,0,0,0,2|2,0,0]=4 3125 B19R0.157 CCCCCCCCCCCCNC(=O)CCC(C)O 1626a_100000210451_100000718519 [0,0,0,0,0,2|1,0,0]=3 3126 B19R0.157 CCCCCCCCCCCCNC(=O)COC(C)C 11a_100000210451_100000745533 [0,0,0,0,0,2|2,0,0]=4 3127 B19R0.157 CCCCCCCCCCCCNC(=O)COC(C)C 1626a_100000210451_100000745533 [0,0,0,0,0,2|2,0,0]=4 3128 B19R0.157 CCCCCCCCCCCCNC(=O)COC(C)C 240690a_100000210451_100000745533 [0,0,0,0,0,2|2,0,0]=4 3129 B19R0.157 CCCCCCCCCCCCNC(=O)COC(C)C 527a_100000210451_100000745533 [0,0,0,0,0,2|2,0,0]=4 3130 B19R0.157 CCCCCCCCCCCCNC(=O)CSC(C)C 11a_100000210451_100000241585 [0,0,0,0,0,2|2,0,0]=4 3131 B19R0.157 CCCCCCCCCCCCNC(=O)CSC(C)C 1626a_100000210451_100000241585 [0,0,0,0,0,2|2,0,0]=4 3132 B19R0.157 CCCCCCCCCCCCNC(=O)CSC(C)C 240690a_100000210451_100000241585 [0,0,0,0,0,2|2,0,0]=4 3133 B19R0.157 CCCCCCCCCCCCNC(=O)CSC(C)C 527a_100000210451_100000241585 [0,0,0,0,0,2|2,0,0]=4 3134 B19R0.157 CCCCCCCCCCCCNC(=O)NCC(C)C 2708a_100000210451_100000210953 [0,0,0,0,0,2|2,0,0]=4 3135 B19R0.157 CCCCCCCCCCCCNC(=O)NCC(C)C 2708a_100000210953_100000210451 [0,0,0,0,0,2|2,0,0]=4 3136 B19R0.157 CCCCCCCCCCCCNC(=O)NCC(C)C 273464a_100000210451_100000210953 [0,0,0,0,0,2|2,0,0]=4 3137 B19R0.157 CCCCCCCCCCCCNC(=O)NCC(C)C 273464a_100000210953_100000210451 [0,0,0,0,0,2|2,0,0]=4 3138 B19R0.157 CCCCCCCCCCCCNC(=O)NCC(C)C 512a_100000210451_100000210953 [0,0,0,0,0,2|2,0,0]=4 3139 B19R0.157 CCCCCCCCCCCCNC(=O)NCC(C)C 512a_100000210953_100000210451 [0,0,0,0,0,2|2,0,0]=4 3140 B19R0.157 CCCCCCCCCCCCNC(=O)NCC(C)O 2708a_100000210451_100000210904 [0,0,0,0,0,2|1,0,0]=3 3141 B19R0.157 CCCCCCCCCCCCNC(=O)NCC(C)O 273464a_100000210451_100000210904 [0,0,0,0,0,2|1,0,0]=3 3142 B19R0.157 CCCCCCCCCCCCNC(=O)NCC(C)O 273464a_100000210904_100000210451 [0,0,0,0,0,2|1,0,0]=3 3143 B19R0.157 CCCCCCCCCCCCNC(=O)NCC(C)O 512a_100000210451_100000210904 [0,0,0,0,0,2|1,0,0]=3 3144 B19R0.157 CCCCCCCCCCCCNC(=O)NCC(C)O 512a_100000210904_100000210451 [0,0,0,0,0,2|1,0,0]=3 3145 B19R0.157 CCCCCCCCCCCCNC(=O)NNC(C)C 273464a_100000210451_100000741168 [0,0,0,0,0,2|2,0,0]=4 3146 B19R0.157 CCCCCCCCCCCCNC(=O)NNC(C)C 512a_100000210451_100000741168 [0,0,0,0,0,2|2,0,0]=4 3147 B19R0.157 CCCCCCCCCCCCNC(=O)NNC(C)C 512a_100000741168_100000210451 [0,0,0,0,0,2|2,0,0]=4