0 B14R1.26 C#CCCCCOC1CCCC(=O)C1 34a_100012613340_100010269958 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.26 C#CCCCOCC1CCCC(=O)N1 34a_200000102386_100000695029 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.26 C=CCCCCOC1CCCC(=O)C1 34a_100012613340_100011215482 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.26 C=CCCCOCC1CCCC(=O)N1 34a_200000102386_100000757094 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.26 CC/C=C\CCOC1CCCC(=O)C1 34a_100012613340_100015370543 [0,0,0,0,0,0|2,0,2]=4 5 B14R1.26 CC/C=C\COCC1CCCC(=O)N1 34a_200000102386_100103147603 [0,0,0,0,0,0|2,0,2]=4 6 B14R1.26 CC1=CC(CCC1)OCCCCCF 34a_100011218613_100000729378 [0,0,0,0,0,0|4,0,0]=4 7 B14R1.26 CC1=CC(CCC1)OCCCCCO 34a_100011218613_100000746330 [0,0,0,0,0,0|4,0,0]=4 8 B14R1.26 CCC#CCOCC1CCCC(=O)N1 34a_200000102386_100009813939 [0,0,0,0,0,0|2,0,2]=4 9 B14R1.26 CCCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210681 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.26 CCCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210681 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.26 CCCCCCCN1CCC=C(C1)C 34a_100000725631_100000210614 [0,0,0,0,0,0|3,0,1]=4 12 B14R1.26 CCCCCCCN1CCCC(C1)F 2230a_100000697950_100000210681 [0,0,0,0,0,0|3,0,1]=4 13 B14R1.26 CCCCCCCN1CCCC(C1)F 269982a_100000697950_100000210681 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.26 CCCCCCCN1CCCC(C1)F 34a_100000697950_100000210614 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.26 CCCCCCCN1CCCC(C1)O 2230a_100000211013_100000210681 [0,0,0,0,0,0|2,0,2]=4 16 B14R1.26 CCCCCCCN1CCCC(C1)O 269982a_100000211013_100000210681 [0,0,0,0,0,0|2,0,2]=4 17 B14R1.26 CCCCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210681 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.26 CCCCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210681 [0,0,0,0,0,0|3,0,1]=4 19 B14R1.26 CCCCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000210614 [0,0,0,0,0,0|3,0,1]=4 20 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,0,0,0,0,0|3,0,0]=3 21 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,0,0,0,0,0|3,0,0]=3 22 B14R1.26 CCCCCCNC1CCCC(C1)C 2230a_100011194320_100000210314 [0,0,0,0,0,0|3,0,1]=4 23 B14R1.26 CCCCCCNC1CCCC(C1)C 270004a_100000210581_100000183594 [0,0,0,0,0,0|3,0,1]=4 24 B14R1.26 CCCCCCNC1CCCC(C1)C 34a_100011194320_100000210314 [0,0,0,0,0,0|3,0,1]=4 25 B14R1.26 CCCCCCNC1CCCC(C1)O 2230a_100015190357_100000210314 [0,0,0,0,0,0|2,0,2]=4 26 B14R1.26 CCCCCCNC1CCCC(C1)O 270004a_100000210581_100012613340 [0,0,0,0,0,0|2,0,2]=4 27 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,0,0,0,0,0|3,0,0]=3 28 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,0,0,0,0,0|3,0,0]=3 29 B14R1.26 CCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210314 [0,0,0,0,0,0|3,0,0]=3 30 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,0,0,0,0,0|2,0,0]=2 31 B14R1.26 CCCCCCOC1CCCC(C1)C 34a_100000211399_100000210314 [0,0,0,0,0,0|3,0,1]=4 32 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,0,0,0,0,0|3,0,0]=3 33 B14R1.26 CCCCCNCC1CCCC(C1)O 2230a_100011254705_100000210326 [0,0,0,0,0,0|2,0,2]=4 34 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,0,0,0,0,0|2,0,0]=2 35 B14R1.26 CCCCCOCC1CCCN(C1)C 34a_100000210253_100015183302 [0,0,0,0,0,0|4,0,0]=4 36 B14R1.26 CCCCCOCC1CCCN(C1)C 7a_100000210253_100000752043 [0,0,0,0,0,0|4,0,0]=4 37 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,0,0,0,0,0|3,0,0]=3 38 B14R1.26 CCCCCOCC1COCC(=O)N1 34a_200000101122_100000718602 [0,0,0,0,0,0|3,0,0]=3 39 B14R1.26 CCCCCSCC1CCCN(C1)C 62a_100000210326_100000752043 [0,0,0,0,0,0|4,0,0]=4 40 B14R1.26 CCCCCSCC1CCCN(C1)C 62a_100000752043_100000210326 [0,0,0,0,0,0|4,0,0]=4 41 B14R1.26 CCCCOCCN1CCNC(=O)C1 2230a_100000184651_100000743108 [0,0,0,0,0,0|4,0,0]=4 42 B14R1.26 CCCCOCCN1CCOC(=O)C1 2230a_100000131268_100000743108 [0,0,0,0,0,0|4,0,0]=4 43 B14R1.26 CCCCOCNC1CCNC(=O)C1 2230a_100016994916_100011995733 [0,0,0,0,0,0|4,0,0]=4 44 B14R1.26 CCCCOCNC1CCNC(=O)C1 34a_100016994916_100011995733 [0,0,0,0,0,0|4,0,0]=4 45 B14R1.26 CCCCOCOC1C=C(CCC1)C 34a_100011218613_100011995733 [0,0,0,0,0,0|4,0,0]=4 46 B14R1.26 CCCCOCOC1CCCC(=O)C1 34a_100012613340_100011995733 [0,0,0,0,0,0|3,0,0]=3 47 B14R1.26 CCCCOCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011995733 [0,0,0,0,0,0|4,0,0]=4 48 B14R1.26 CCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210303 [0,0,0,0,0,0|4,0,0]=4 49 B14R1.26 CCCOCCNC1CCNC(=O)C1 2230a_100016994916_100011215938 [0,0,0,0,0,0|4,0,0]=4 50 B14R1.26 CCCOCCNC1CCNC(=O)C1 34a_100016994916_100011215938 [0,0,0,0,0,0|4,0,0]=4 51 B14R1.26 CCCOCCOC1C=C(CCC1)C 34a_100011218613_100011215938 [0,0,0,0,0,0|4,0,0]=4 52 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,0,0,0,0,0|3,0,0]=3 53 B14R1.26 CCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011215938 [0,0,0,0,0,0|4,0,0]=4 54 B14R1.26 CCOCCCNC1CCNC(=O)C1 2230a_100016994916_100012232248 [0,0,0,0,0,0|4,0,0]=4 55 B14R1.26 CCOCCCNC1CCNC(=O)C1 34a_100016994916_100012232248 [0,0,0,0,0,0|4,0,0]=4 56 B14R1.26 CCOCCCOC1C=C(CCC1)C 34a_100011218613_100012232248 [0,0,0,0,0,0|4,0,0]=4 57 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,0,0,0,0,0|3,0,0]=3 58 B14R1.26 CCOCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012232248 [0,0,0,0,0,0|4,0,0]=4 59 B14R1.26 CCOCCOCC1CCCC(=O)N1 34a_200000102386_100000210147 [0,0,0,0,0,0|3,0,0]=3 60 B14R1.26 CCOCCOCC1CCNC(=O)C1 34a_100009886756_100000210147 [0,0,0,0,0,0|4,0,0]=4 61 B14R1.26 CCOCCOCC1COCC(=O)N1 34a_200000101122_100000210147 [0,0,0,0,0,0|4,0,0]=4 62 B14R1.26 CCSCCOCC1CCCC(=O)N1 34a_200000102386_100000757381 [0,0,0,0,0,0|3,0,0]=3 63 B14R1.26 CCSCCOCC1CCNC(=O)C1 34a_100009886756_100000757381 [0,0,0,0,0,0|4,0,0]=4 64 B14R1.26 CCSCCOCC1COCC(=O)N1 34a_200000101122_100000757381 [0,0,0,0,0,0|4,0,0]=4 65 B14R1.26 COCCCCNC1CCNC(=O)C1 2230a_100016994916_100000730899 [0,0,0,0,0,0|4,0,0]=4 66 B14R1.26 COCCCCNC1CCNC(=O)C1 34a_100016994916_100000755781 [0,0,0,0,0,0|4,0,0]=4 67 B14R1.26 COCCCCOC1C=C(CCC1)C 34a_100011218613_100000755781 [0,0,0,0,0,0|4,0,0]=4 68 B14R1.26 COCCCCOC1CCCC(=O)C1 34a_100012613340_100000755781 [0,0,0,0,0,0|3,0,0]=3 69 B14R1.26 COCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000755781 [0,0,0,0,0,0|4,0,0]=4 70 B14R1.26 COCCCOCC1CCCC(=O)N1 34a_200000102386_100000740836 [0,0,0,0,0,0|3,0,0]=3 71 B14R1.26 COCCCOCC1CCNC(=O)C1 34a_100009886756_100000740836 [0,0,0,0,0,0|4,0,0]=4 72 B14R1.26 COCCCOCC1COCC(=O)N1 34a_200000101122_100000740836 [0,0,0,0,0,0|4,0,0]=4 73 B14R1.26 O=C1CC(CCN1)COCCCCF 34a_100009886756_100000729493 [0,0,0,0,0,0|4,0,0]=4 74 B14R1.26 O=C1CC(CCN1)COCCCCO 34a_100009886756_100011216708 [0,0,0,0,0,0|4,0,0]=4 75 B14R1.26 O=C1CC(CCN1)NCCCCCF 2230a_100016994916_100000729378 [0,0,0,0,0,0|4,0,0]=4 76 B14R1.26 O=C1CC(CCN1)NCCCCCF 34a_100016994916_100000729378 [0,0,0,0,0,0|4,0,0]=4 77 B14R1.26 O=C1CC(CCN1)NCCCCCO 2230a_100016994916_100000746330 [0,0,0,0,0,0|4,0,0]=4 78 B14R1.26 O=C1CC(CCN1)NCCCCCO 34a_100016994916_100000746330 [0,0,0,0,0,0|4,0,0]=4 79 B14R1.26 O=C1CCCC(C1)OCCCCCF 34a_100012613340_100000729378 [0,0,0,0,0,0|3,0,0]=3 80 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [0,0,0,0,0,0|3,0,0]=3 81 B14R1.26 O=C1CCCC(C1)OCCOCCO 34a_100012613340_100000692535 [0,0,0,0,0,0|4,0,0]=4 82 B14R1.26 O=C1CCCC(N1)COCCCCF 34a_200000102386_100000729493 [0,0,0,0,0,0|3,0,0]=3 83 B14R1.26 O=C1CCCC(N1)COCCCCO 34a_200000102386_100011216708 [0,0,0,0,0,0|3,0,0]=3 84 B14R1.26 O=C1CN(CCN1)CCCCCCF 2230a_100000184651_100015922095 [0,0,0,0,0,0|4,0,0]=4 85 B14R1.26 O=C1CN(CCN1)CCCCCCO 2230a_100000184651_100000766143 [0,0,0,0,0,0|4,0,0]=4 86 B14R1.26 O=C1CN(CCO1)CCCCCCF 2230a_100000131268_100015922095 [0,0,0,0,0,0|4,0,0]=4 87 B14R1.26 O=C1CN(CCO1)CCCCCCO 2230a_100000131268_100000766143 [0,0,0,0,0,0|4,0,0]=4 88 B14R1.26 O=C1COCC(N1)COCCCCF 34a_200000101122_100000729493 [0,0,0,0,0,0|4,0,0]=4 89 B14R1.26 O=C1COCC(N1)COCCCCO 34a_200000101122_100011216708 [0,0,0,0,0,0|4,0,0]=4 90 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCF 34a_100015189427_100000729378 [0,0,0,0,0,0|4,0,0]=4 91 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCO 34a_100015189427_100000746330 [0,0,0,0,0,0|4,0,0]=4 92 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [1,0,0,0,0,0|3,0,0]=4 93 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [1,0,0,0,0,0|3,0,0]=4 94 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [1,0,0,0,0,0|3,0,0]=4 95 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [1,0,0,0,0,0|3,0,0]=4 96 B13R1.6 CCCCCOC1C=C(CCC1)C 34a_100011218613_100000718602 [1,0,0,0,0,0|3,0,0]=4 97 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [1,0,0,0,0,0|2,0,0]=3 98 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [1,0,0,0,0,0|3,0,0]=4 99 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [1,0,0,0,0,0|2,0,0]=3 100 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [1,0,0,0,0,0|3,0,0]=4 101 B13R1.6 CCCCOCC1COCC(=O)N1 34a_200000101122_100000210210 [1,0,0,0,0,0|3,0,0]=4 102 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [1,0,0,0,0,0|3,0,0]=4 103 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [1,0,0,0,0,0|3,0,0]=4 104 B13R1.6 COCCCOC1CCCC(=O)C1 34a_100012613340_100000740836 [1,0,0,0,0,0|3,0,0]=4 105 B13R1.6 COCCOCC1CCCC(=O)N1 34a_200000102386_100011201679 [1,0,0,0,0,0|3,0,0]=4 106 B13R1.6 CSCCOCC1CCCC(=O)N1 34a_200000102386_100000212216 [1,0,0,0,0,0|3,0,0]=4 107 B13R1.6 O=C1CCCC(C1)OCCCCF 34a_100012613340_100000729493 [1,0,0,0,0,0|3,0,0]=4 108 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [1,0,0,0,0,0|3,0,0]=4 109 B13R1.6 O=C1CCCC(N1)COCCCF 34a_200000102386_100011934791 [1,0,0,0,0,0|3,0,0]=4 110 B13R1.6 O=C1CCCC(N1)COCCCO 34a_200000102386_100000230001 [1,0,0,0,0,0|3,0,0]=4 111 B13R1.28 BrCCCCCOC1C=CCCC1 7a_100000746331_100000751183 [1,0,0,0,0,0|3,0,0]=4 112 B13R1.28 BrCCCCOCC1CCCCO1 34a_100011216708_100000211543 [1,0,0,0,0,0|2,0,1]=4 113 B13R1.28 CCCCCCCN1CC=CCC1 2230a_100000698166_100000210681 [1,0,0,0,0,0|2,0,1]=4 114 B13R1.28 CCCCCCCN1CC=CCC1 269982a_100000698166_100000210681 [1,0,0,0,0,0|2,0,1]=4 115 B13R1.28 CCCCCCCN1CC=CCC1 34a_100000698166_100000210614 [1,0,0,0,0,0|2,0,1]=4 116 B13R1.28 CCCCCCCN1CCCOC1 2230a_100000131196_100000210681 [1,0,0,0,0,0|3,0,0]=4 117 B13R1.28 CCCCCCCN1CCCOC1 269982a_100000131196_100000210681 [1,0,0,0,0,0|3,0,0]=4 118 B13R1.28 CCCCCCCN1CCCOC1 34a_100000131196_100000210614 [1,0,0,0,0,0|3,0,0]=4 119 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [1,0,0,0,0,0|2,0,0]=3 120 B13R1.28 CCCCCCNC1CCCCC1 2230a_100000182618_100000210314 [1,0,0,0,0,0|2,0,1]=4 121 B13R1.28 CCCCCCNC1CCCCC1 270004a_100000210581_100000210434 [1,0,0,0,0,0|2,0,1]=4 122 B13R1.28 CCCCCCNC1CCCCC1 34a_100000182618_100000210314 [1,0,0,0,0,0|2,0,1]=4 123 B13R1.28 CCCCCCNC1CCCOC1 2230a_100000719290_100000210314 [1,0,0,0,0,0|3,0,0]=4 124 B13R1.28 CCCCCCNC1CCCOC1 270004a_100000210581_100000753404 [1,0,0,0,0,0|3,0,0]=4 125 B13R1.28 CCCCCCNC1CCCOC1 34a_100000719290_100000210314 [1,0,0,0,0,0|3,0,0]=4 126 B13R1.28 CCCCCCNC1CCCSC1 270004a_100000210581_100000057913 [1,0,0,0,0,0|3,0,0]=4 127 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [1,0,0,0,0,0|2,0,0]=3 128 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [1,0,0,0,0,0|2,0,0]=3 129 B13R1.28 CCCCCCOC1CC=CCC1 34a_100000073881_100000210314 [1,0,0,0,0,0|2,0,1]=4 130 B13R1.28 CCCCCCOC1CCCCC1 34a_100000210231_100000210314 [1,0,0,0,0,0|2,0,1]=4 131 B13R1.28 CCCCCCOC1CCCCC1 34a_100000210259_100000210327 [1,0,0,0,0,0|2,0,1]=4 132 B13R1.28 CCCCCCOC1CCCCC1 7a_100000210231_100000210314 [1,0,0,0,0,0|2,0,1]=4 133 B13R1.28 CCCCCCOC1CCCCC1 7a_100000210259_100000210327 [1,0,0,0,0,0|2,0,1]=4 134 B13R1.28 CCCCCCOC1CCCCO1 34a_100000033831_100000210314 [1,0,0,0,0,0|1,0,1]=3 135 B13R1.28 CCCCCCOC1CCCOC1 34a_100000210259_100000693364 [1,0,0,0,0,0|3,0,0]=4 136 B13R1.28 CCCCCCOC1CCCOC1 34a_100000754041_100000210314 [1,0,0,0,0,0|3,0,0]=4 137 B13R1.28 CCCCCCOC1CCCOC1 7a_100000210259_100000693364 [1,0,0,0,0,0|3,0,0]=4 138 B13R1.28 CCCCCCOC1CCCSC1 7a_100015962668_100000210314 [1,0,0,0,0,0|3,0,0]=4 139 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [1,0,0,0,0,0|2,0,0]=3 140 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [1,0,0,0,0,0|2,0,0]=3 141 B13R1.28 CCCCCCSC1CCCCC1 62a_100000210314_100000210327 [1,0,0,0,0,0|2,0,1]=4 142 B13R1.28 CCCCCCSC1CCCCC1 62a_100000210327_100000210757 [1,0,0,0,0,0|2,0,1]=4 143 B13R1.28 CCCCCCSC1CCCOC1 62a_100000210314_100000693364 [1,0,0,0,0,0|3,0,0]=4 144 B13R1.28 CCCCCNCC1CC=CCC1 270004a_100000209983_100000189434 [1,0,0,0,0,0|2,0,1]=4 145 B13R1.28 CCCCCNCC1CCCCC1 2230a_100000209983_100000211423 [1,0,0,0,0,0|2,0,1]=4 146 B13R1.28 CCCCCNCC1CCCCC1 2230a_100000210473_100000210326 [1,0,0,0,0,0|2,0,1]=4 147 B13R1.28 CCCCCNCC1CCCCC1 269862a_100000209983_100000211278 [1,0,0,0,0,0|2,0,1]=4 148 B13R1.28 CCCCCNCC1CCCCC1 34a_100000210473_100000718602 [1,0,0,0,0,0|2,0,1]=4 149 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000174945_100000210326 [1,0,0,0,0,0|1,0,1]=3 150 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000209983_100000211543 [1,0,0,0,0,0|1,0,1]=3 151 B13R1.28 CCCCCNCC1CCCCO1 34a_100000174945_100000718602 [1,0,0,0,0,0|1,0,1]=3 152 B13R1.28 CCCCCNCC1CCCOC1 2230a_100000209983_100000741521 [1,0,0,0,0,0|3,0,0]=4 153 B13R1.28 CCCCCNCC1CCCOC1 2230a_100000720124_100000210326 [1,0,0,0,0,0|3,0,0]=4 154 B13R1.28 CCCCCNCC1CCCOC1 34a_100000720124_100000718602 [1,0,0,0,0,0|3,0,0]=4 155 B13R1.28 CCCCCNC[C@H]1COCCO1 2230a_100010981119_100000210326 [1,0,0,0,0,0|2,0,1]=4 156 B13R1.28 CCCCCNC[C@H]1COCCO1 34a_100010981119_100000718602 [1,0,0,0,0,0|2,0,1]=4 157 B13R1.28 CCCCCOCC1CC=CCC1 34a_100000210713_100000718602 [1,0,0,0,0,0|2,0,1]=4 158 B13R1.28 CCCCCOCC1CCC=CO1 34a_100011217868_100000718602 [1,0,0,0,0,0|1,0,1]=3 159 B13R1.28 CCCCCOCC1CCCCC1 34a_100000210253_100000211423 [1,0,0,0,0,0|2,0,1]=4 160 B13R1.28 CCCCCOCC1CCCCC1 34a_100000212181_100000718602 [1,0,0,0,0,0|2,0,1]=4 161 B13R1.28 CCCCCOCC1CCCCC1 7a_100000210253_100000211423 [1,0,0,0,0,0|2,0,1]=4 162 B13R1.28 CCCCCOCC1CCCCC1 7a_100000212181_100000210326 [1,0,0,0,0,0|2,0,1]=4 163 B13R1.28 CCCCCOCC1CCCCN1 34a_100000210821_100000718602 [1,0,0,0,0,0|2,0,1]=4 164 B13R1.28 CCCCCOCC1CCCCO1 34a_100000210253_100000211543 [1,0,0,0,0,0|1,0,1]=3 165 B13R1.28 CCCCCOCC1CCCCO1 34a_100000211370_100000718602 [1,0,0,0,0,0|1,0,1]=3 166 B13R1.28 CCCCCOCC1CCCCO1 7a_100000210253_100000211543 [1,0,0,0,0,0|1,0,1]=3 167 B13R1.28 CCCCCOCC1CCCCO1 7a_100000211370_100000210326 [1,0,0,0,0,0|1,0,1]=3 168 B13R1.28 CCCCCOCC1CCCNC1 34a_100000211344_100000718602 [1,0,0,0,0,0|3,0,0]=4 169 B13R1.28 CCCCCOCC1CCCOC1 34a_100000210253_100000741521 [1,0,0,0,0,0|3,0,0]=4 170 B13R1.28 CCCCCOCC1CCCOC1 34a_100000741520_100000718602 [1,0,0,0,0,0|3,0,0]=4 171 B13R1.28 CCCCCOCC1CCCOC1 7a_100000210253_100000741521 [1,0,0,0,0,0|3,0,0]=4 172 B13R1.28 CCCCCOC[C@@H]1CNCCO1 34a_100015189573_100000718602 [1,0,0,0,0,0|2,0,1]=4 173 B13R1.28 CCCCCOC[C@H]1COCCO1 34a_100009875890_100000718602 [1,0,0,0,0,0|2,0,1]=4 174 B13R1.28 CCCCCSCC1CCCCC1 62a_100000210326_100000211423 [1,0,0,0,0,0|2,0,1]=4 175 B13R1.28 CCCCCSCC1CCCCC1 62a_100000211423_100000210326 [1,0,0,0,0,0|2,0,1]=4 176 B13R1.28 CCCCCSCC1CCCCO1 62a_100000210326_100000211543 [1,0,0,0,0,0|1,0,1]=3 177 B13R1.28 CCCCCSCC1CCCCO1 62a_100000211543_100000210326 [1,0,0,0,0,0|1,0,1]=3 178 B13R1.28 CCCCCSCC1CCCOC1 62a_100000210326_100000741521 [1,0,0,0,0,0|3,0,0]=4 179 B13R1.28 CCCCCSCC1CCCOC1 62a_100000741521_100000210326 [1,0,0,0,0,0|3,0,0]=4 180 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000102301_100012355289 [1,0,0,0,0,0|2,0,1]=4 181 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000738074_100000210211 [1,0,0,0,0,0|2,0,1]=4 182 B13R1.28 CCCCNCCC1CCCCC1 270004a_100000102301_100011713444 [1,0,0,0,0,0|2,0,1]=4 183 B13R1.28 CCCCNCCC1CCCCC1 34a_100000738074_100000210210 [1,0,0,0,0,0|2,0,1]=4 184 B13R1.28 CCCCNCCC1CCCCC1 7a_106832991798_100011273959 [1,0,0,0,0,0|2,0,1]=4 185 B13R1.28 CCCCNCCC1CCCCO1 2230a_100015183643_100000210211 [1,0,0,0,0,0|1,0,1]=3 186 B13R1.28 CCCCNCCC1CCCCO1 34a_100015183643_100000210210 [1,0,0,0,0,0|1,0,1]=3 187 B13R1.28 CCCCNCCC1OCCCO1 2230a_100000102301_100000764188 [1,0,0,0,0,0|2,0,1]=4 188 B13R1.28 CCCCNCCC1OCCCO1 7a_106832991798_100000764188 [1,0,0,0,0,0|2,0,1]=4 189 B13R1.28 CCCCOCCC1CCCCC1 34a_100000210227_100011209188 [1,0,0,0,0,0|2,0,1]=4 190 B13R1.28 CCCCOCCC1CCCCC1 34a_100011217863_100000210210 [1,0,0,0,0,0|2,0,1]=4 191 B13R1.28 CCCCOCCC1CCCCC1 7a_100000210227_100011273959 [1,0,0,0,0,0|2,0,1]=4 192 B13R1.28 CCCCOCCC1CCCCC1 7a_100011217863_100000210211 [1,0,0,0,0,0|2,0,1]=4 193 B13R1.28 CCCCOCCC1CCCCN1 34a_100000211664_100000210210 [1,0,0,0,0,0|2,0,1]=4 194 B13R1.28 CCCCOCCC1CCCNC1 34a_100000752241_100000210210 [1,0,0,0,0,0|3,0,0]=4 195 B13R1.28 CCCCOCCC1OCCCO1 34a_100000210227_100000764188 [1,0,0,0,0,0|2,0,1]=4 196 B13R1.28 CCCCOCCC1OCCCO1 7a_100000210227_100000764188 [1,0,0,0,0,0|2,0,1]=4 197 B13R1.28 CCCCOCOC1C=CCCC1 34a_100011215024_100011995733 [1,0,0,0,0,0|3,0,0]=4 198 B13R1.28 CCCCOCOC1CCCCO1 34a_100000033831_100011995733 [1,0,0,0,0,0|2,0,1]=4 199 B13R1.28 CCCCOCSC1C=CCCC1 62a_100000751183_100011995733 [1,0,0,0,0,0|3,0,0]=4 200 B13R1.28 CCCCOCSC1C=CCCC1 62a_100011995733_100000751183 [1,0,0,0,0,0|3,0,0]=4 201 B13R1.28 CCCCSCCC1CCCCC1 62a_100000210211_100012355289 [1,0,0,0,0,0|2,0,1]=4 202 B13R1.28 CCCCSCCC1CCCCC1 62a_100012355289_100000210210 [1,0,0,0,0,0|2,0,1]=4 203 B13R1.28 CCCCSCCC1OCCCO1 62a_100000210211_100000764188 [1,0,0,0,0,0|2,0,1]=4 204 B13R1.28 CCCCSCCC1OCCCO1 62a_100000764188_100000210210 [1,0,0,0,0,0|2,0,1]=4 205 B13R1.28 CCCNCCCC1CCCCC1 2230a_100011211642_100000210303 [1,0,0,0,0,0|2,0,1]=4 206 B13R1.28 CCCNCCCC1CCCCC1 34a_100011211642_100000210303 [1,0,0,0,0,0|2,0,1]=4 207 B13R1.28 CCCOCCCC1CCCCC1 34a_100000198086_100000210303 [1,0,0,0,0,0|2,0,1]=4 208 B13R1.28 CCCOCCCC1CCCCC1 34a_100000210258_100011713725 [1,0,0,0,0,0|2,0,1]=4 209 B13R1.28 CCCOCCCC1CCCCC1 7a_100000198086_100000210303 [1,0,0,0,0,0|2,0,1]=4 210 B13R1.28 CCCOCCCC1CCCCN1 34a_100011934581_100000210303 [1,0,0,0,0,0|2,0,1]=4 211 B13R1.28 CCCOCCCC1CCCNC1 34a_100150707839_100000210303 [1,0,0,0,0,0|3,0,0]=4 212 B13R1.28 CCCOCCNC1C=CCCC1 2230a_100161115042_100000751183 [1,0,0,0,0,0|3,0,0]=4 213 B13R1.28 CCCOCCOC1C=CCCC1 34a_100011215024_100011215938 [1,0,0,0,0,0|3,0,0]=4 214 B13R1.28 CCCOCCOC1C=CCCC1 7a_100000752267_100000751183 [1,0,0,0,0,0|3,0,0]=4 215 B13R1.28 CCCOCCOC1CCCCO1 34a_100000033831_100011215938 [1,0,0,0,0,0|2,0,1]=4 216 B13R1.28 CCCOCCOC1CCCCO1 34a_100000034223_100000210303 [1,0,0,0,0,0|2,0,1]=4 217 B13R1.28 CCCOCCOC1CCCCO1 34a_100000210258_100000744793 [1,0,0,0,0,0|2,0,1]=4 218 B13R1.28 CCCOCCOC1CCCCO1 7a_100000034223_100000210303 [1,0,0,0,0,0|2,0,1]=4 219 B13R1.28 CCCOCCSC1C=CCCC1 62a_100000751183_100011215938 [1,0,0,0,0,0|3,0,0]=4 220 B13R1.28 CCCOCCSC1C=CCCC1 62a_100011215938_100000751183 [1,0,0,0,0,0|3,0,0]=4 221 B13R1.28 CCCSCCCC1CCCCC1 62a_100000210303_100011713725 [1,0,0,0,0,0|2,0,1]=4 222 B13R1.28 CCCSCCCC1CCCCC1 62a_100011713725_100000210303 [1,0,0,0,0,0|2,0,1]=4 223 B13R1.28 CCCSCCNC1C=CCCC1 2230a_100020603323_100000751183 [1,0,0,0,0,0|3,0,0]=4 224 B13R1.28 CCCSCCOC1C=CCCC1 7a_200000230433_100000751183 [1,0,0,0,0,0|3,0,0]=4 225 B13R1.28 CCCSCCOC1CCCCO1 62a_100000210303_100000744793 [1,0,0,0,0,0|2,0,1]=4 226 B13R1.28 CCCSCCOC1CCCCO1 62a_100000744793_100000210303 [1,0,0,0,0,0|2,0,1]=4 227 B13R1.28 CCNCCCOC1CCCCO1 2230a_100015525214_100000700653 [1,0,0,0,0,0|2,0,1]=4 228 B13R1.28 CCOCCCCC1CCCCC1 34a_100011215267_100000210202 [1,0,0,0,0,0|2,0,1]=4 229 B13R1.28 CCOCCCCC1CCCCC1 7a_100011215267_100000210202 [1,0,0,0,0,0|2,0,1]=4 230 B13R1.28 CCOCCCNC1C=CCCC1 2230a_100000210961_100000751183 [1,0,0,0,0,0|3,0,0]=4 231 B13R1.28 CCOCCCOC1C=CCCC1 34a_100011215024_100012232248 [1,0,0,0,0,0|3,0,0]=4 232 B13R1.28 CCOCCCOC1C=CCCC1 7a_100000757476_100000751183 [1,0,0,0,0,0|3,0,0]=4 233 B13R1.28 CCOCCCOC1CCCCO1 34a_100000033831_100012232248 [1,0,0,0,0,0|2,0,1]=4 234 B13R1.28 CCOCCCOC1CCCCO1 34a_100121572206_100000700653 [1,0,0,0,0,0|2,0,1]=4 235 B13R1.28 CCOCCCSC1C=CCCC1 62a_100000751183_100012232248 [1,0,0,0,0,0|3,0,0]=4 236 B13R1.28 CCOCCCSC1C=CCCC1 62a_100012232248_100000751183 [1,0,0,0,0,0|3,0,0]=4 237 B13R1.28 CCOCCNCC1CCCCO1 2230a_100000174945_100011215890 [1,0,0,0,0,0|2,0,1]=4 238 B13R1.28 CCOCCNCC1CCCCO1 2230a_102516460346_100000211543 [1,0,0,0,0,0|2,0,1]=4 239 B13R1.28 CCOCCNCC1CCCCO1 34a_100000174945_100000210147 [1,0,0,0,0,0|2,0,1]=4 240 B13R1.28 CCOCCNCC1CCCCO1 34a_102516460346_100000211543 [1,0,0,0,0,0|2,0,1]=4 241 B13R1.28 CCOCCOCC1CCC=CO1 34a_100011217868_100000210147 [1,0,0,0,0,0|2,0,1]=4 242 B13R1.28 CCOCCOCC1CCCCO1 34a_100000210136_100000211543 [1,0,0,0,0,0|2,0,1]=4 243 B13R1.28 CCOCCOCC1CCCCO1 34a_100000211370_100000210147 [1,0,0,0,0,0|2,0,1]=4 244 B13R1.28 CCOCCOCC1CCCCO1 7a_100000210136_100000211543 [1,0,0,0,0,0|2,0,1]=4 245 B13R1.28 CCOCCOCC1CCCCO1 7a_100000211370_100011215890 [1,0,0,0,0,0|2,0,1]=4 246 B13R1.28 CCOCCSCC1CCCCO1 62a_100000210147_100000211543 [1,0,0,0,0,0|2,0,1]=4 247 B13R1.28 CCOCCSCC1CCCCO1 62a_100000211543_100011215890 [1,0,0,0,0,0|2,0,1]=4 248 B13R1.28 CCSCCCOC1C=CCCC1 7a_100011216438_100000751183 [1,0,0,0,0,0|3,0,0]=4 249 B13R1.28 CCSCCCOC1CCCCO1 62a_100000210202_100000700653 [1,0,0,0,0,0|2,0,1]=4 250 B13R1.28 CCSCCCOC1CCCCO1 62a_100000700653_100000210202 [1,0,0,0,0,0|2,0,1]=4 251 B13R1.28 CCSCCNCC1CCCCO1 2230a_100000106463_100000211543 [1,0,0,0,0,0|2,0,1]=4 252 B13R1.28 CCSCCNCC1CCCCO1 2230a_100000174945_100000757381 [1,0,0,0,0,0|2,0,1]=4 253 B13R1.28 CCSCCNCC1CCCCO1 34a_100000174945_100000757381 [1,0,0,0,0,0|2,0,1]=4 254 B13R1.28 CCSCCOCC1CCC=CO1 34a_100011217868_100000757381 [1,0,0,0,0,0|2,0,1]=4 255 B13R1.28 CCSCCOCC1CCCCO1 34a_100000211370_100000757381 [1,0,0,0,0,0|2,0,1]=4 256 B13R1.28 CCSCCOCC1CCCCO1 34a_100000212035_100000211543 [1,0,0,0,0,0|2,0,1]=4 257 B13R1.28 CCSCCOCC1CCCCO1 7a_100000211370_100000757381 [1,0,0,0,0,0|2,0,1]=4 258 B13R1.28 CCSCCOCC1CCCCO1 7a_100000212035_100000211543 [1,0,0,0,0,0|2,0,1]=4 259 B13R1.28 CCSCCSCC1CCCCO1 62a_100000211543_100000757381 [1,0,0,0,0,0|2,0,1]=4 260 B13R1.28 CCSCCSCC1CCCCO1 62a_100000757381_100000211543 [1,0,0,0,0,0|2,0,1]=4 261 B13R1.28 CNCCCCOC1CCCCO1 2230a_106832991635_100000031530 [1,0,0,0,0,0|2,0,1]=4 262 B13R1.28 CNCCCCOC1CCCCO1 34a_100102657272_100000031530 [1,0,0,0,0,0|2,0,1]=4 263 B13R1.28 CNCCCCOC1CCCCO1 7a_106832991635_100000031530 [1,0,0,0,0,0|2,0,1]=4 264 B13R1.28 CNCCCOCC1CCCCO1 34a_100000213112_100000211543 [1,0,0,0,0,0|2,0,1]=4 265 B13R1.28 COCCCCOC1C=CCCC1 34a_100011215024_100000755781 [1,0,0,0,0,0|3,0,0]=4 266 B13R1.28 COCCCCOC1CCCCO1 34a_100000033831_100000755781 [1,0,0,0,0,0|2,0,1]=4 267 B13R1.28 COCCCCOC1CCCCO1 34a_100138415774_100000031530 [1,0,0,0,0,0|2,0,1]=4 268 B13R1.28 COCCCCSC1C=CCCC1 62a_100000730899_100000751183 [1,0,0,0,0,0|3,0,0]=4 269 B13R1.28 COCCCCSC1C=CCCC1 62a_100000751183_100000730899 [1,0,0,0,0,0|3,0,0]=4 270 B13R1.28 COCCCNCC1CCCCO1 2230a_100000174945_100000740836 [1,0,0,0,0,0|2,0,1]=4 271 B13R1.28 COCCCNCC1CCCCO1 34a_100000174945_100000740836 [1,0,0,0,0,0|2,0,1]=4 272 B13R1.28 COCCCNCC1CCCCO1 34a_100150723488_100000211543 [1,0,0,0,0,0|2,0,1]=4 273 B13R1.28 COCCCOCC1CCC=CO1 34a_100011217868_100000740836 [1,0,0,0,0,0|2,0,1]=4 274 B13R1.28 COCCCOCC1CCCCO1 34a_100000211370_100000740836 [1,0,0,0,0,0|2,0,1]=4 275 B13R1.28 COCCCOCC1CCCCO1 34a_100000740835_100000211543 [1,0,0,0,0,0|2,0,1]=4 276 B13R1.28 COCCCOCC1CCCCO1 7a_100000211370_100000740836 [1,0,0,0,0,0|2,0,1]=4 277 B13R1.28 COCCCSCC1CCCCO1 62a_100000211543_100000709357 [1,0,0,0,0,0|2,0,1]=4 278 B13R1.28 COCCCSCC1CCCCO1 62a_100000709357_100000211543 [1,0,0,0,0,0|2,0,1]=4 279 B13R1.28 COCCNCCC1CCCCO1 2230a_100015183643_100011201679 [1,0,0,0,0,0|2,0,1]=4 280 B13R1.28 COCCNCCC1CCCCO1 34a_100015183643_100011201679 [1,0,0,0,0,0|2,0,1]=4 281 B13R1.28 CSCCCCOC1C=CCCC1 7a_100011217163_100000751183 [1,0,0,0,0,0|3,0,0]=4 282 B13R1.28 CSCCCCOC1CCCCO1 62a_100000031530_200000210301 [1,0,0,0,0,0|2,0,1]=4 283 B13R1.28 CSCCCCOC1CCCCO1 62a_200000210301_100000031530 [1,0,0,0,0,0|2,0,1]=4 284 B13R1.28 CSCCCNCC1CCCCO1 2230a_100000749238_100000211543 [1,0,0,0,0,0|2,0,1]=4 285 B13R1.28 CSCCCOCC1CCCCO1 34a_100000690336_100000211543 [1,0,0,0,0,0|2,0,1]=4 286 B13R1.28 CSCCCOCC1CCCCO1 7a_100000690336_100000211543 [1,0,0,0,0,0|2,0,1]=4 287 B13R1.28 CSCCNCCC1CCCCO1 2230a_100015183643_100000751147 [1,0,0,0,0,0|2,0,1]=4 288 B13R1.28 CSCCNCCC1CCCCO1 34a_100015183643_100000212216 [1,0,0,0,0,0|2,0,1]=4 289 B13R1.28 ClCCCCCOC1C=CCCC1 7a_100000746330_100000751183 [1,0,0,0,0,0|3,0,0]=4 290 B13R1.28 ClCCCCOCC1CCCCO1 34a_100000210776_100000211543 [1,0,0,0,0,0|2,0,1]=4 291 B13R1.28 ClCCCCOCC1CCCCO1 7a_100000210776_100000211543 [1,0,0,0,0,0|2,0,1]=4 292 B13R1.28 FCCCCCOC1C=CCCC1 34a_100011215024_100000729378 [1,0,0,0,0,0|3,0,0]=4 293 B13R1.28 FCCCCCOC1CCCCO1 34a_100000033831_100000729378 [1,0,0,0,0,0|2,0,1]=4 294 B13R1.28 FCCCCCSC1C=CCCC1 62a_100000729378_100000751183 [1,0,0,0,0,0|3,0,0]=4 295 B13R1.28 FCCCCCSC1C=CCCC1 62a_100000751183_100000729378 [1,0,0,0,0,0|3,0,0]=4 296 B13R1.28 FCCCCNCC1CCCCO1 2230a_100000174945_100000729493 [1,0,0,0,0,0|2,0,1]=4 297 B13R1.28 FCCCCNCC1CCCCO1 34a_100000174945_100000729493 [1,0,0,0,0,0|2,0,1]=4 298 B13R1.28 FCCCCOCC1CCC=CO1 34a_100011217868_100000729493 [1,0,0,0,0,0|2,0,1]=4 299 B13R1.28 FCCCCOCC1CCCCO1 34a_100000211370_100000729493 [1,0,0,0,0,0|2,0,1]=4 300 B13R1.28 FCCCCOCC1CCCCO1 34a_100011995726_100000211543 [1,0,0,0,0,0|2,0,1]=4 301 B13R1.28 FCCCCOCC1CCCCO1 7a_100000211370_100000729493 [1,0,0,0,0,0|2,0,1]=4 302 B13R1.28 FCCCCOCC1CCCCO1 7a_100011995726_100000211543 [1,0,0,0,0,0|2,0,1]=4 303 B13R1.28 FCCCCSCC1CCCCO1 62a_100000211543_100000729493 [1,0,0,0,0,0|2,0,1]=4 304 B13R1.28 FCCCCSCC1CCCCO1 62a_100000729493_100000211543 [1,0,0,0,0,0|2,0,1]=4 305 B13R1.28 FCCCNCCC1CCCCO1 2230a_100015183643_100011934791 [1,0,0,0,0,0|2,0,1]=4 306 B13R1.28 FCCCNCCC1CCCCO1 34a_100015183643_100011934791 [1,0,0,0,0,0|2,0,1]=4 307 B13R1.28 ICCCCCOC1C=CCCC1 7a_200012148887_100000751183 [1,0,0,0,0,0|3,0,0]=4 308 B13R1.28 ICCCCOCC1CCCCO1 34a_200012148704_100000211543 [1,0,0,0,0,0|2,0,1]=4 309 B13R1.28 NCCCCOCC1CCCCO1 34a_100000750430_100000211543 [1,0,0,0,0,0|2,0,1]=4 310 B13R1.28 OCCCCCNC1C=CCCC1 2230a_100000762737_100000751183 [1,0,0,0,0,0|3,0,0]=4 311 B13R1.28 OCCCCCOC1C=CCCC1 34a_100011215024_100000746330 [1,0,0,0,0,0|3,0,0]=4 312 B13R1.28 OCCCCCOC1CCCCO1 34a_100000033831_100000746330 [1,0,0,0,0,0|2,0,1]=4 313 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000746330_100000751183 [1,0,0,0,0,0|3,0,0]=4 314 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000751183_100000746330 [1,0,0,0,0,0|3,0,0]=4 315 B13R1.28 OCCCCNCC1CCCCO1 2230a_100000174945_100000210776 [1,0,0,0,0,0|2,0,1]=4 316 B13R1.28 OCCCCNCC1CCCCO1 2230a_100000750430_100000211543 [1,0,0,0,0,0|2,0,1]=4 317 B13R1.28 OCCCCNCC1CCCCO1 34a_100000174945_100011216708 [1,0,0,0,0,0|2,0,1]=4 318 B13R1.28 OCCCCNCC1CCCCO1 34a_100000750430_100000211543 [1,0,0,0,0,0|2,0,1]=4 319 B13R1.28 OCCCCOCC1CCC=CO1 34a_100011217868_100011216708 [1,0,0,0,0,0|2,0,1]=4 320 B13R1.28 OCCCCOCC1CCCCO1 34a_100000211370_100011216708 [1,0,0,0,0,0|2,0,1]=4 321 B13R1.28 OCCCCOCC1CCCCO1 7a_100000211370_100000210776 [1,0,0,0,0,0|2,0,1]=4 322 B13R1.28 OCCCCSCC1CCCCO1 62a_100000210776_100000211543 [1,0,0,0,0,0|2,0,1]=4 323 B13R1.28 OCCCCSCC1CCCCO1 62a_100000211543_100000210776 [1,0,0,0,0,0|2,0,1]=4 324 B13R1.28 OCCCNCCC1CCCCO1 2230a_100015183643_100000230001 [1,0,0,0,0,0|2,0,1]=4 325 B13R1.28 OCCCNCCC1CCCCO1 34a_100015183643_100000230001 [1,0,0,0,0,0|2,0,1]=4 326 B13R1.28 [13CH3]SCCCCOC1CCCCO1 62a_100000031530_200025704644 [1,0,0,0,0,0|2,0,1]=4 327 B13R1.28 [13CH3]SCCCCOC1CCCCO1 62a_200025704644_100000031530 [1,0,0,0,0,0|2,0,1]=4 328 B15R1.22 CCCCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210681 [0,1,0,0,0,0|3,0,0]=4 329 B15R1.22 CCCCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210681 [0,1,0,0,0,0|3,0,0]=4 330 B15R1.22 CCCCCCCN1CCNC(=O)C1C 34a_100000750721_100000210614 [0,1,0,0,0,0|3,0,0]=4 331 B15R1.22 CCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210326 [0,1,0,0,0,0|2,0,0]=3 332 B15R1.22 CCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000718602 [0,1,0,0,0,0|2,0,0]=3 333 B15R1.22 CCOCCNCC1CCCC(=O)N1C 2230a_200010383782_100011215890 [0,1,0,0,0,0|3,0,0]=4 334 B15R1.22 CCOCCNCC1CCCC(=O)N1C 34a_200010383782_100000210147 [0,1,0,0,0,0|3,0,0]=4 335 B15R1.22 CCSCCNCC1CCCC(=O)N1C 2230a_200010383782_100000757381 [0,1,0,0,0,0|3,0,0]=4 336 B15R1.22 CCSCCNCC1CCCC(=O)N1C 34a_200010383782_100000757381 [0,1,0,0,0,0|3,0,0]=4 337 B15R1.22 CN1C(=O)CCCC1CNCCCCF 2230a_200010383782_100000729493 [0,1,0,0,0,0|3,0,0]=4 338 B15R1.22 CN1C(=O)CCCC1CNCCCCF 34a_200010383782_100000729493 [0,1,0,0,0,0|3,0,0]=4 339 B15R1.22 CN1C(=O)CCCC1CNCCCCO 2230a_200010383782_100000210776 [0,1,0,0,0,0|3,0,0]=4 340 B15R1.22 CN1C(=O)CCCC1CNCCCCO 34a_200010383782_100011216708 [0,1,0,0,0,0|3,0,0]=4 341 B15R1.22 COCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000740836 [0,1,0,0,0,0|3,0,0]=4 342 B15R1.22 COCCCNCC1CCCC(=O)N1C 34a_200010383782_100000740836 [0,1,0,0,0,0|3,0,0]=4 343 B15R1.31 CCCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210757 [0,1,0,0,0,0|2,0,1]=4 344 B15R1.31 CCCCCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210757 [0,1,0,0,0,0|2,0,1]=4 345 B15R1.31 CCCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210757 [0,1,0,0,0,0|1,0,1]=3 346 B15R1.31 CCCCCCC(C)N1CCNC(=O)C1 2230a_100000184651_100011215978 [0,1,0,0,0,0|3,0,0]=4 347 B15R1.31 CCCCCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000210826 [0,1,0,0,0,0|3,0,0]=4 348 B15R1.31 CCCCCCC(C)N1CCOC(=O)C1 2230a_100000131268_100011215978 [0,1,0,0,0,0|3,0,0]=4 349 B15R1.31 CCCCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000210826 [0,1,0,0,0,0|3,0,0]=4 350 B15R1.31 CCCCCNC(=O)[C@H]1CCCC(=O)N1 240690a_100000209983_100000705292 [0,1,0,0,0,0|2,0,1]=4 351 B15R1.31 CCCCCNC(=O)[C@H]1CCCC(=O)N1 527a_100000209983_100000705292 [0,1,0,0,0,0|2,0,1]=4 352 B15R1.31 CCCCOCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100011995733 [0,1,0,0,0,0|2,0,1]=4 353 B15R1.31 CCCOCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100011215938 [0,1,0,0,0,0|2,0,1]=4 354 B15R1.31 CCOCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100012232248 [0,1,0,0,0,0|2,0,1]=4 355 B15R1.31 COCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000755781 [0,1,0,0,0,0|2,0,1]=4 356 B15R1.31 O=C1CCC[C@@H](N1)C(=O)CCCCCF 1458a_100000705292_100000729378 [0,1,0,0,0,0|2,0,1]=4 357 B15R1.31 O=C1CCC[C@@H](N1)C(=O)CCCCCO 1458a_100000705292_100000746330 [0,1,0,0,0,0|2,0,1]=4 358 B15R1.106 C#CCCCCCOC1CCCC(=O)C1 34a_100012613340_100012094781 [0,1,0,0,0,0|1,0,2]=4 359 B15R1.106 C#CCCCCOCC1CCCC(=O)N1 34a_200000102386_100010269958 [0,1,0,0,0,0|1,0,2]=4 360 B15R1.106 C=CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000700193 [0,1,0,0,0,0|1,0,2]=4 361 B15R1.106 C=CCCCCOCC1CCCC(=O)N1 34a_200000102386_100011215482 [0,1,0,0,0,0|1,0,2]=4 362 B15R1.106 CC/C=C\CCOCC1CCCC(=O)N1 34a_200000102386_100015370543 [0,1,0,0,0,0|1,0,2]=4 363 B15R1.106 CC1=CC(CCC1)OCCCCCCF 34a_100011218613_100015922095 [0,1,0,0,0,0|3,0,0]=4 364 B15R1.106 CC1=CC(CCC1)OCCCCCCO 34a_100011218613_100000766143 [0,1,0,0,0,0|3,0,0]=4 365 B15R1.106 CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210759 [0,1,0,0,0,0|3,0,0]=4 366 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [0,1,0,0,0,0|3,0,0]=4 367 B15R1.106 CCCCCCCNC1CCCC(C1)C 2230a_100011194320_100000210681 [0,1,0,0,0,0|2,0,1]=4 368 B15R1.106 CCCCCCCNC1CCCC(C1)C 270004a_100000229938_100000183594 [0,1,0,0,0,0|2,0,1]=4 369 B15R1.106 CCCCCCCNC1CCCC(C1)C 34a_100011194320_100000210614 [0,1,0,0,0,0|2,0,1]=4 370 B15R1.106 CCCCCCCNC1CCCC(C1)O 2230a_100015190357_100000210681 [0,1,0,0,0,0|1,0,2]=4 371 B15R1.106 CCCCCCCNC1CCCC(C1)O 270004a_100000229938_100012613340 [0,1,0,0,0,0|1,0,2]=4 372 B15R1.106 CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210681 [0,1,0,0,0,0|2,0,0]=3 373 B15R1.106 CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210614 [0,1,0,0,0,0|2,0,0]=3 374 B15R1.106 CCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210614 [0,1,0,0,0,0|2,0,0]=3 375 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [0,1,0,0,0,0|1,0,0]=2 376 B15R1.106 CCCCCCCOC1CCCC(C1)C 34a_100000211399_100000210614 [0,1,0,0,0,0|2,0,1]=4 377 B15R1.106 CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210614 [0,1,0,0,0,0|2,0,0]=3 378 B15R1.106 CCCCCCNCC1CCCC(C1)O 2230a_100011254705_100000210314 [0,1,0,0,0,0|1,0,2]=4 379 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [0,1,0,0,0,0|1,0,0]=2 380 B15R1.106 CCCCCCOCC1CCCN(C1)C 34a_100000210259_100015183302 [0,1,0,0,0,0|3,0,0]=4 381 B15R1.106 CCCCCCOCC1CCCN(C1)C 7a_100000210259_100000752043 [0,1,0,0,0,0|3,0,0]=4 382 B15R1.106 CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210314 [0,1,0,0,0,0|2,0,0]=3 383 B15R1.106 CCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210314 [0,1,0,0,0,0|2,0,0]=3 384 B15R1.106 CCCCCCSCC1CCCN(C1)C 62a_100000210314_100000752043 [0,1,0,0,0,0|3,0,0]=4 385 B15R1.106 CCCCCCSCC1CCCN(C1)C 62a_100000752043_100000210757 [0,1,0,0,0,0|3,0,0]=4 386 B15R1.106 CCCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210211 [0,1,0,0,0,0|3,0,0]=4 387 B15R1.106 CCCCOCCNC1CCNC(=O)C1 2230a_100016994916_100000743108 [0,1,0,0,0,0|3,0,0]=4 388 B15R1.106 CCCCOCCNC1CCNC(=O)C1 34a_100016994916_100000743108 [0,1,0,0,0,0|3,0,0]=4 389 B15R1.106 CCCCOCCOC1C=C(CCC1)C 34a_100011218613_100000743108 [0,1,0,0,0,0|3,0,0]=4 390 B15R1.106 CCCCOCCOC1CCCC(=O)C1 34a_100012613340_100000743108 [0,1,0,0,0,0|2,0,0]=3 391 B15R1.106 CCCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000743108 [0,1,0,0,0,0|3,0,0]=4 392 B15R1.106 CCCCOCOCC1CCCC(=O)N1 34a_200000102386_100011995733 [0,1,0,0,0,0|2,0,0]=3 393 B15R1.106 CCCCOCOCC1CCNC(=O)C1 34a_100009886756_100011995733 [0,1,0,0,0,0|3,0,0]=4 394 B15R1.106 CCCCOCOCC1COCC(=O)N1 34a_200000101122_100011995733 [0,1,0,0,0,0|3,0,0]=4 395 B15R1.106 CCCOCCOCC1CCCC(=O)N1 34a_200000102386_100011215938 [0,1,0,0,0,0|2,0,0]=3 396 B15R1.106 CCCOCCOCC1CCNC(=O)C1 34a_100009886756_100011215938 [0,1,0,0,0,0|3,0,0]=4 397 B15R1.106 CCCOCCOCC1COCC(=O)N1 34a_200000101122_100011215938 [0,1,0,0,0,0|3,0,0]=4 398 B15R1.106 CCOCCCOCC1CCCC(=O)N1 34a_200000102386_100012232248 [0,1,0,0,0,0|2,0,0]=3 399 B15R1.106 CCOCCCOCC1CCNC(=O)C1 34a_100009886756_100012232248 [0,1,0,0,0,0|3,0,0]=4 400 B15R1.106 CCOCCCOCC1COCC(=O)N1 34a_200000101122_100012232248 [0,1,0,0,0,0|3,0,0]=4 401 B15R1.106 COCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011998445 [0,1,0,0,0,0|3,0,0]=4 402 B15R1.106 COCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011998445 [0,1,0,0,0,0|3,0,0]=4 403 B15R1.106 COCCCCOCC1CCCC(=O)N1 34a_200000102386_100000755781 [0,1,0,0,0,0|2,0,0]=3 404 B15R1.106 COCCCCOCC1CCNC(=O)C1 34a_100009886756_100000755781 [0,1,0,0,0,0|3,0,0]=4 405 B15R1.106 COCCCCOCC1COCC(=O)N1 34a_200000101122_100000755781 [0,1,0,0,0,0|3,0,0]=4 406 B15R1.106 COCCOCCOC1CCCC(=O)C1 34a_100012613340_100000695917 [0,1,0,0,0,0|3,0,0]=4 407 B15R1.106 O=C1CC(CCN1)COCCCCCF 34a_100009886756_100000729378 [0,1,0,0,0,0|3,0,0]=4 408 B15R1.106 O=C1CC(CCN1)COCCCCCO 34a_100009886756_100000746330 [0,1,0,0,0,0|3,0,0]=4 409 B15R1.106 O=C1CC(CCN1)NCCCCCCF 2230a_100016994916_100015922095 [0,1,0,0,0,0|3,0,0]=4 410 B15R1.106 O=C1CC(CCN1)NCCCCCCF 34a_100016994916_100015922095 [0,1,0,0,0,0|3,0,0]=4 411 B15R1.106 O=C1CC(CCN1)NCCCCCCO 2230a_100016994916_100000766143 [0,1,0,0,0,0|3,0,0]=4 412 B15R1.106 O=C1CC(CCN1)NCCCCCCO 34a_100016994916_100000766143 [0,1,0,0,0,0|3,0,0]=4 413 B15R1.106 O=C1CCCC(C1)OCCCCCCF 34a_100012613340_100015922095 [0,1,0,0,0,0|2,0,0]=3 414 B15R1.106 O=C1CCCC(C1)OCCCCCCO 34a_100012613340_100000766143 [0,1,0,0,0,0|2,0,0]=3 415 B15R1.106 O=C1CCCC(N1)COCCCCCF 34a_200000102386_100000729378 [0,1,0,0,0,0|2,0,0]=3 416 B15R1.106 O=C1CCCC(N1)COCCCCCO 34a_200000102386_100000746330 [0,1,0,0,0,0|2,0,0]=3 417 B15R1.106 O=C1CCCC(N1)COCCOCCO 34a_200000102386_100000692535 [0,1,0,0,0,0|3,0,0]=4 418 B15R1.106 O=C1CN(CCN1)CCCCCCCO 2230a_100000184651_100000760002 [0,1,0,0,0,0|3,0,0]=4 419 B15R1.106 O=C1CN(CCO1)CCCCCCCO 2230a_100000131268_100000760002 [0,1,0,0,0,0|3,0,0]=4 420 B15R1.106 O=C1COCC(N1)COCCCCCF 34a_200000101122_100000729378 [0,1,0,0,0,0|3,0,0]=4 421 B15R1.106 O=C1COCC(N1)COCCCCCO 34a_200000101122_100000746330 [0,1,0,0,0,0|3,0,0]=4 422 B15R1.106 O=C1C[C@@H](CCN1)OCCCCCCF 34a_100015189427_100015922095 [0,1,0,0,0,0|3,0,0]=4 423 B15R1.106 O=C1C[C@@H](CCN1)OCCCCCCO 34a_100015189427_100000766143 [0,1,0,0,0,0|3,0,0]=4 424 B15R1.119 CC(=O)CCCCOC1CCCC(=O)C1 34a_100012613340_100009817362 [0,1,0,0,0,0|2,0,1]=4 425 B15R1.119 CC(=O)CCCOCC1CCCC(=O)N1 34a_200000102386_100000685027 [0,1,0,0,0,0|2,0,1]=4 426 B15R1.119 CC(C)CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210682 [0,1,0,0,0,0|3,0,0]=4 427 B15R1.119 CC(C)CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210682 [0,1,0,0,0,0|3,0,0]=4 428 B15R1.119 CC(C)CCCCNC1CCNC(=O)C1 2230a_100016994916_100011216152 [0,1,0,0,0,0|3,0,0]=4 429 B15R1.119 CC(C)CCCCNC1CCNC(=O)C1 34a_100016994916_100011216152 [0,1,0,0,0,0|3,0,0]=4 430 B15R1.119 CC(C)CCCCOC1CCCC(=O)C1 34a_100012613340_100011216152 [0,1,0,0,0,0|2,0,0]=3 431 B15R1.119 CC(C)CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011216152 [0,1,0,0,0,0|3,0,0]=4 432 B15R1.119 CC(C)CCCOCC1CCCC(=O)N1 34a_200000102386_100011214892 [0,1,0,0,0,0|2,0,0]=3 433 B15R1.119 CC(C)CCCOCC1CCNC(=O)C1 34a_100009886756_100011214892 [0,1,0,0,0,0|3,0,0]=4 434 B15R1.119 CC(C)CCCOCC1COCC(=O)N1 34a_200000101122_100011214892 [0,1,0,0,0,0|3,0,0]=4 435 B15R1.119 CC(C)OCCOCC1CCCC(=O)N1 34a_200000102386_100000211751 [0,1,0,0,0,0|3,0,0]=4 436 B15R1.119 CC(C)SCCOCC1CCCC(=O)N1 34a_200000102386_100000730970 [0,1,0,0,0,0|3,0,0]=4 437 B15R1.119 CC(O)CCCOCC1CCCC(=O)N1 34a_200000102386_200000718107 [0,1,0,0,0,0|2,0,0]=3 438 B15R1.119 CC(O)CCCOCC1CCNC(=O)C1 34a_100009886756_200000718107 [0,1,0,0,0,0|3,0,0]=4 439 B15R1.119 CC(O)CCCOCC1COCC(=O)N1 34a_200000101122_200000718107 [0,1,0,0,0,0|3,0,0]=4 440 B15R1.119 CC1=CC(CCC1)OCCCCC(C)C 34a_100011218613_100011216152 [0,1,0,0,0,0|3,0,0]=4 441 B15R1.127 CCCCC(C)OCC1CCCC(=O)N1 34a_200000102386_200011215066 [0,1,0,0,0,0|2,0,0]=3 442 B15R1.127 CCCCC(C)OCC1CCNC(=O)C1 34a_100009886756_200011215066 [0,1,0,0,0,0|3,0,0]=4 443 B15R1.127 CCCCC(C)OCC1COCC(=O)N1 34a_200000101122_200011215066 [0,1,0,0,0,0|3,0,0]=4 444 B15R1.129 CCCCCC(C)NC1CCNC(=O)C1 2230a_100016994916_200011218191 [0,1,0,0,0,0|3,0,0]=4 445 B15R1.129 CCCCCC(C)NC1CCNC(=O)C1 34a_100016994916_200011218191 [0,1,0,0,0,0|3,0,0]=4 446 B15R1.129 CCCCCC(C)OC1C=C(CCC1)C 34a_100011218613_200011218191 [0,1,0,0,0,0|3,0,0]=4 447 B15R1.129 CCCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011218191 [0,1,0,0,0,0|2,0,0]=3 448 B15R1.129 CCCCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_200011218191 [0,1,0,0,0,0|3,0,0]=4 449 B15R1.633 CCCC(C)COCC1CCCC(=O)N1 34a_200000102386_100011216630 [0,1,0,0,0,0|2,0,0]=3 450 B15R1.633 CCCC(C)COCC1CCNC(=O)C1 34a_100009886756_100011216630 [0,1,0,0,0,0|3,0,0]=4 451 B15R1.633 CCCC(C)COCC1COCC(=O)N1 34a_200000101122_100011216630 [0,1,0,0,0,0|3,0,0]=4 452 B15R1.633 COCC(O)COCC1CCCC(=O)N1 34a_200000102386_100011215053 [0,1,0,0,0,0|3,0,0]=4 453 B15R1.12032 CCCCCCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210681 [0,1,0,0,0,0|3,0,0]=4 454 B15R1.12032 CCCCCCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210681 [0,1,0,0,0,0|3,0,0]=4 455 B15R1.12032 CCCCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210314 [0,1,0,0,0,0|3,0,0]=4 456 B15R1.12032 CCCCCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210314 [0,1,0,0,0,0|3,0,0]=4 457 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,0,1,0,0,0|1,0,2]=4 458 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,0,1,0,0,0|1,0,2]=4 459 B13R0.2 C#CCC(=O)NCCCCCCCC 1626a_100000229939_100011220946 [0,0,1,0,0,0|1,0,2]=4 460 B13R0.2 C#CCC(=O)NCCCCCCCC 527a_100000229939_100011220946 [0,0,1,0,0,0|1,0,2]=4 461 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000087357_100000210303 [0,0,1,0,0,0|1,0,2]=4 462 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000211992_100153394163 [0,0,1,0,0,0|1,0,2]=4 463 B13R0.2 C#CCCCCNCOC(=O)CCC 2230a_100000706060_100000034017 [0,0,1,0,0,0|1,0,2]=4 464 B13R0.2 C#CCCCCNCOC(=O)CCC 34a_100000706060_100000034017 [0,0,1,0,0,0|1,0,2]=4 465 B13R0.2 C#CCCCCOCOC(=O)CCC 34a_100000766709_100000034017 [0,0,1,0,0,0|1,0,2]=4 466 B13R0.2 C#CCCCCSCOC(=O)CCC 62a_100010269958_100000034017 [0,0,1,0,0,0|1,0,2]=4 467 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,0,1,0,0,0|1,0,2]=4 468 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,0,1,0,0,0|1,0,2]=4 469 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,0,1,0,0,0|1,0,2]=4 470 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,0,1,0,0,0|1,0,2]=4 471 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,0,1,0,0,0|1,0,2]=4 472 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,0,1,0,0,0|1,0,2]=4 473 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,0,1,0,0,0|1,0,2]=4 474 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,0,1,0,0,0|1,0,2]=4 475 B13R0.2 C=CCCCCNCOC(=O)CCC 2230a_100000703577_100000034017 [0,0,1,0,0,0|1,0,2]=4 476 B13R0.2 C=CCCCCNCOC(=O)CCC 34a_100000703577_100000034017 [0,0,1,0,0,0|1,0,2]=4 477 B13R0.2 C=CCCCCOCOC(=O)CCC 34a_100000766645_100000034017 [0,0,1,0,0,0|1,0,2]=4 478 B13R0.2 C=CCCCCSCOC(=O)CCC 62a_100011215482_100000034017 [0,0,1,0,0,0|1,0,2]=4 479 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,0,1,0,0,0|1,0,2]=4 480 B13R0.2 CC/C=C\CCOCOC(=O)CCC 34a_100016288707_100000034017 [0,0,1,0,0,0|1,0,2]=4 481 B13R0.2 CC/C=C\CCSCOC(=O)CCC 62a_100015370543_100000034017 [0,0,1,0,0,0|1,0,2]=4 482 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,0,1,0,0,0|1,0,2]=4 483 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,0,1,0,0,0|1,0,2]=4 484 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,0,1,0,0,0|1,0,2]=4 485 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,0,1,0,0,0|1,0,2]=4 486 B13R0.2 CC=CCCCOCOC(=O)CCC 34a_100020645299_100000034017 [0,0,1,0,0,0|1,0,2]=4 487 B13R0.2 CCC#CCCOCOC(=O)CCC 34a_100000036655_100000034017 [0,0,1,0,0,0|1,0,2]=4 488 B13R0.2 CCC/C=C/COCOC(=O)CCC 34a_100016278788_100000034017 [0,0,1,0,0,0|1,0,2]=4 489 B13R0.2 CCCC#CCOCOC(=O)CCC 34a_100000034806_100000034017 [0,0,1,0,0,0|1,0,2]=4 490 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,0,1,0,0,0|2,0,0]=3 491 B13R0.2 CCCC(=O)CNCCCCCCO 2230a_100000686447_100000747444 [0,0,1,0,0,0|3,0,0]=4 492 B13R0.2 CCCC(=O)CNCCCCCOC 2230a_100000747528_100000747444 [0,0,1,0,0,0|3,0,0]=4 493 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,0,1,0,0,0|3,0,0]=4 494 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,0,1,0,0,0|3,0,0]=4 495 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,0,1,0,0,0|3,0,0]=4 496 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100000747444_100015922095 [0,0,1,0,0,0|3,0,0]=4 497 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100015922095_100000747444 [0,0,1,0,0,0|3,0,0]=4 498 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000747444_100000766143 [0,0,1,0,0,0|3,0,0]=4 499 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000766143_100000747444 [0,0,1,0,0,0|3,0,0]=4 500 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,0,1,0,0,0|2,0,0]=3 501 B13R0.2 CCCC(=O)NCCCOCCCO 240690a_100011310245_100000211992 [0,0,1,0,0,0|3,0,0]=4 502 B13R0.2 CCCC(=O)NCCCOCCOC 1626a_100000206027_100000211992 [0,0,1,0,0,0|3,0,0]=4 503 B13R0.2 CCCC(=O)NCCCOCCOC 240690a_100000206027_100000211992 [0,0,1,0,0,0|3,0,0]=4 504 B13R0.2 CCCC(=O)NCCOCCOCC 11a_100102712874_100000211992 [0,0,1,0,0,0|3,0,0]=4 505 B13R0.2 CCCC(=O)NCCOCCOCC 1626a_100102712874_100000211992 [0,0,1,0,0,0|3,0,0]=4 506 B13R0.2 CCCC(=O)NCCOCCOCC 240690a_100102712874_100000211992 [0,0,1,0,0,0|3,0,0]=4 507 B13R0.2 CCCC(=O)NCCOCCOCC 527a_100102712874_100000211992 [0,0,1,0,0,0|3,0,0]=4 508 B13R0.2 CCCC(=O)OCNCCCCCO 2230a_100000762737_100000034017 [0,0,1,0,0,0|2,0,0]=3 509 B13R0.2 CCCC(=O)OCNCCCCCO 34a_100000762737_100000034017 [0,0,1,0,0,0|2,0,0]=3 510 B13R0.2 CCCC(=O)OCNCCCOCC 2230a_100000210961_100000034017 [0,0,1,0,0,0|2,0,0]=3 511 B13R0.2 CCCC(=O)OCNCCCOCC 34a_100000210961_100000034017 [0,0,1,0,0,0|2,0,0]=3 512 B13R0.2 CCCC(=O)OCNCCOCCO 2230a_100000211614_100000034017 [0,0,1,0,0,0|3,0,0]=4 513 B13R0.2 CCCC(=O)OCNCCOCCO 34a_100000211614_100000034017 [0,0,1,0,0,0|3,0,0]=4 514 B13R0.2 CCCC(=O)OCNCCSCCO 2230a_100011219999_100000034017 [0,0,1,0,0,0|3,0,0]=4 515 B13R0.2 CCCC(=O)OCOCCCCCBr 34a_100000746331_100000034017 [0,0,1,0,0,0|2,0,0]=3 516 B13R0.2 CCCC(=O)OCOCCCCCCl 34a_100000746330_100000034017 [0,0,1,0,0,0|2,0,0]=3 517 B13R0.2 CCCC(=O)OCOCCCCCI 34a_200012148887_100000034017 [0,0,1,0,0,0|2,0,0]=3 518 B13R0.2 CCCC(=O)OCOCCCCCN 34a_100000762737_100000034017 [0,0,1,0,0,0|2,0,0]=3 519 B13R0.2 CCCC(=O)OCOCCCCOC 34a_100000740925_100000034017 [0,0,1,0,0,0|2,0,0]=3 520 B13R0.2 CCCC(=O)OCOCCCCSC 34a_100011217163_100000034017 [0,0,1,0,0,0|2,0,0]=3 521 B13R0.2 CCCC(=O)OCOCCCOCC 34a_100000757476_100000034017 [0,0,1,0,0,0|2,0,0]=3 522 B13R0.2 CCCC(=O)OCOCCCSCC 34a_100011216438_100000034017 [0,0,1,0,0,0|2,0,0]=3 523 B13R0.2 CCCC(=O)OCOCCOCCBr 34a_100000692535_100000034017 [0,0,1,0,0,0|3,0,0]=4 524 B13R0.2 CCCC(=O)OCOCCOCCCl 34a_100011215305_100000034017 [0,0,1,0,0,0|3,0,0]=4 525 B13R0.2 CCCC(=O)OCOCCOCCF 34a_200015357709_100000034017 [0,0,1,0,0,0|3,0,0]=4 526 B13R0.2 CCCC(=O)OCOCCOCCI 34a_100012149058_100000034017 [0,0,1,0,0,0|3,0,0]=4 527 B13R0.2 CCCC(=O)OCOCCOCCN 34a_100000211614_100000034017 [0,0,1,0,0,0|3,0,0]=4 528 B13R0.2 CCCC(=O)OCSCCCCC#N 62a_100011219923_100000034017 [0,0,1,0,0,0|2,0,1]=4 529 B13R0.2 CCCC(=O)OCSCCCCC=O 62a_100000139335_100000034017 [0,0,1,0,0,0|2,0,1]=4 530 B13R0.2 CCCC(=O)OCSCCCCCF 62a_100000729378_100000034017 [0,0,1,0,0,0|2,0,0]=3 531 B13R0.2 CCCC(=O)OCSCCCCCO 62a_100000746330_100000034017 [0,0,1,0,0,0|2,0,0]=3 532 B13R0.2 CCCC(=O)OCSCCCCOC 62a_100000730899_100000034017 [0,0,1,0,0,0|2,0,0]=3 533 B13R0.2 CCCC(=O)OCSCCCOCC 62a_100012232248_100000034017 [0,0,1,0,0,0|2,0,0]=3 534 B13R0.2 CCCC(=O)OCSCCOCCO 62a_100011215305_100000034017 [0,0,1,0,0,0|3,0,0]=4 535 B13R0.2 CCCC(=O)OCSCOCCOC 62a_100000231047_100000034017 [0,0,1,0,0,0|3,0,0]=4 536 B13R0.2 CCCC(C)OCCCCCCCBr 34a_100000760002_100000766640 [0,0,1,0,0,0|2,0,1]=4 537 B13R0.2 CCCC(C)OCCCCCCCBr 7a_100000760002_100000766640 [0,0,1,0,0,0|2,0,1]=4 538 B13R0.2 CCCC(C)OCCCCCCCN 34a_100011996573_100000766640 [0,0,1,0,0,0|2,0,1]=4 539 B13R0.2 CCCC(C)OCCCCCCCO 34a_100000764384_100000760002 [0,0,1,0,0,0|2,0,1]=4 540 B13R0.2 CCCC(C)OCCCCCCCO 7a_100000764384_100000760002 [0,0,1,0,0,0|2,0,1]=4 541 B13R0.2 CCCC(C)OCCCCCCOC 34a_100000764384_100011998445 [0,0,1,0,0,0|2,0,1]=4 542 B13R0.2 CCCC(C)OCCCCCCOC 34a_200012092642_100000766640 [0,0,1,0,0,0|2,0,1]=4 543 B13R0.2 CCCC(C)OCCCCCCOC 7a_100000764384_100011998445 [0,0,1,0,0,0|2,0,1]=4 544 B13R0.2 CCCC(C)OCCCCCCOC 7a_200012092642_100000766640 [0,0,1,0,0,0|2,0,1]=4 545 B13R0.2 CCCCC#CCCCC(=O)CCC 1458a_100000211992_200000047210 [0,0,1,0,0,0|1,0,2]=4 546 B13R0.2 CCCCC/C=C/CCC(=O)CCC 1458a_200015255902_100000210303 [0,0,1,0,0,0|1,0,2]=4 547 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,0,1,0,0,0|1,0,2]=4 548 B13R0.2 CCCCCCC=NNC(=O)CCC 4a_100000189770_100000234349 [0,0,1,0,0,0|2,0,1]=4 549 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,0,1,0,0,0|1,0,1]=3 550 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,0,1,0,0,0|2,0,1]=4 551 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,0,1,0,0,0|2,0,1]=4 552 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,0,1,0,0,0|2,0,1]=4 553 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,0,1,0,0,0|2,0,1]=4 554 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,0,1,0,0,0|2,0,1]=4 555 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,0,1,0,0,0|2,0,1]=4 556 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,0,1,0,0,0|1,0,0]=2 557 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,0,1,0,0,0|1,0,0]=2 558 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,0,1,0,0,0|2,0,0]=3 559 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,0,1,0,0,0|2,0,0]=3 560 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,0,1,0,0,0|2,0,0]=3 561 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,0,1,0,0,0|2,0,0]=3 562 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,0,1,0,0,0|2,0,0]=3 563 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,0,1,0,0,0|2,0,0]=3 564 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,0,1,0,0,0|2,0,0]=3 565 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,0,1,0,0,0|2,0,0]=3 566 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,0,1,0,0,0|3,0,0]=4 567 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000232482_100000210303 [0,0,1,0,0,0|3,0,0]=4 568 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000747261_100011214924 [0,0,1,0,0,0|3,0,0]=4 569 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000232482_100000210303 [0,0,1,0,0,0|3,0,0]=4 570 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000747261_100000210670 [0,0,1,0,0,0|3,0,0]=4 571 B13R0.2 CCCCCCCCNC(=O)CC#N 1626a_100000229939_100051588842 [0,0,1,0,0,0|2,0,1]=4 572 B13R0.2 CCCCCCCCNC(=O)CC#N 240690a_100000229939_100051588842 [0,0,1,0,0,0|2,0,1]=4 573 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,0,1,0,0,0|1,0,0]=2 574 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,0,1,0,0,0|1,0,0]=2 575 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,0,1,0,0,0|1,0,0]=2 576 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,0,1,0,0,0|1,0,0]=2 577 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,0,1,0,0,0|2,0,0]=3 578 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,0,1,0,0,0|2,0,0]=3 579 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,0,1,0,0,0|2,0,0]=3 580 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,0,1,0,0,0|2,0,0]=3 581 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,0,1,0,0,0|2,0,0]=3 582 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,0,1,0,0,0|2,0,0]=3 583 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,0,1,0,0,0|2,0,0]=3 584 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,0,1,0,0,0|2,0,0]=3 585 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,0,1,0,0,0|2,0,0]=3 586 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,0,1,0,0,0|2,0,0]=3 587 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,0,1,0,0,0|2,0,0]=3 588 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,0,1,0,0,0|2,0,0]=3 589 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,0,1,0,0,0|2,0,0]=3 590 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,0,1,0,0,0|2,0,0]=3 591 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,0,1,0,0,0|2,0,0]=3 592 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [0,0,1,0,0,0|3,0,0]=4 593 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [0,0,1,0,0,0|3,0,0]=4 594 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [0,0,1,0,0,0|3,0,0]=4 595 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000229939_100000766640 [0,0,1,0,0,0|2,0,1]=4 596 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000741246_100000210759 [0,0,1,0,0,0|2,0,1]=4 597 B13R0.2 CCCCCCCCNC(C)CCC 270004a_100000229939_100000211909 [0,0,1,0,0,0|2,0,1]=4 598 B13R0.2 CCCCCCCCNC(C)CCC 34a_100000229939_100000766640 [0,0,1,0,0,0|2,0,1]=4 599 B13R0.2 CCCCCCCCOC(C)CCBr 34a_100012276601_100000210759 [0,0,1,0,0,0|2,0,1]=4 600 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000210232_100000766640 [0,0,1,0,0,0|1,0,1]=3 601 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000764384_100000210759 [0,0,1,0,0,0|1,0,1]=3 602 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000210232_100000766640 [0,0,1,0,0,0|1,0,1]=3 603 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000764384_100000210759 [0,0,1,0,0,0|1,0,1]=3 604 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [0,0,1,0,0,0|2,0,1]=4 605 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [0,0,1,0,0,0|2,0,1]=4 606 B13R0.2 CCCCCCCCOC(C)COC 34a_100000210232_100000765312 [0,0,1,0,0,0|2,0,1]=4 607 B13R0.2 CCCCCCCCOC(C)COC 7a_100000210232_100000765312 [0,0,1,0,0,0|2,0,1]=4 608 B13R0.2 CCCCCCCCO[C@H](C)COC 34a_100011934205_100000210759 [0,0,1,0,0,0|2,0,1]=4 609 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000210759_100000766640 [0,0,1,0,0,0|1,1,1]=4 610 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000766640_100000210317 [0,0,1,0,0,0|1,1,1]=4 611 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,0,1,0,0,0|2,0,0]=3 612 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,0,1,0,0,0|3,0,0]=4 613 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,0,1,0,0,0|3,0,0]=4 614 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,0,1,0,0,0|3,0,0]=4 615 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,0,1,0,0,0|2,0,0]=3 616 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,0,1,0,0,0|3,0,0]=4 617 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,0,1,0,0,0|3,0,0]=4 618 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,0,1,0,0,0|3,0,0]=4 619 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,0,1,0,0,0|3,0,0]=4 620 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,0,1,0,0,0|2,0,0]=3 621 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,0,1,0,0,0|2,0,0]=3 622 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,0,1,0,0,0|3,0,0]=4 623 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,0,1,0,0,0|3,0,0]=4 624 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,0,1,0,0,0|3,0,0]=4 625 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,0,1,0,0,0|3,0,0]=4 626 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,0,1,0,0,0|3,0,0]=4 627 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,0,1,0,0,0|3,0,0]=4 628 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,0,1,0,0,0|3,0,0]=4 629 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,0,1,0,0,0|1,0,0]=2 630 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,0,1,0,0,0|3,0,0]=4 631 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,0,1,0,0,0|3,0,0]=4 632 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,0,1,0,0,0|3,0,0]=4 633 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,0,1,0,0,0|1,0,0]=2 634 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,0,1,0,0,0|3,0,0]=4 635 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,0,1,0,0,0|3,0,0]=4 636 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,0,1,0,0,0|3,0,0]=4 637 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,0,1,0,0,0|3,0,0]=4 638 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,0,1,0,0,0|1,0,0]=2 639 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,0,1,0,0,0|2,0,0]=3 640 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,0,1,0,0,0|3,0,0]=4 641 B13R0.2 CCCCCNCCOC(C)CCC 34a_100000224656_100000766640 [0,0,1,0,0,0|2,0,1]=4 642 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,0,1,0,0,0|3,0,0]=4 643 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,0,1,0,0,0|3,0,0]=4 644 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,0,1,0,0,0|3,0,0]=4 645 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,0,1,0,0,0|3,0,0]=4 646 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,0,1,0,0,0|3,0,0]=4 647 B13R0.2 CCCCCOCCOC(C)CCC 34a_100011215259_100000766640 [0,0,1,0,0,0|2,0,1]=4 648 B13R0.2 CCCCCOCCOC(C)CCC 7a_100011215259_100000766640 [0,0,1,0,0,0|2,0,1]=4 649 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,0,1,0,0,0|3,0,0]=4 650 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,0,1,0,0,0|3,0,0]=4 651 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,0,1,0,0,0|3,0,0]=4 652 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,0,1,0,0,0|3,0,0]=4 653 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,0,1,0,0,0|3,0,0]=4 654 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,0,1,0,0,0|3,0,0]=4 655 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,0,1,0,0,0|3,0,0]=4 656 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,0,1,0,0,0|2,0,0]=3 657 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,0,1,0,0,0|2,0,0]=3 658 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,0,1,0,0,0|2,0,0]=3 659 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,0,1,0,0,0|3,0,0]=4 660 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,0,1,0,0,0|3,0,0]=4 661 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,0,1,0,0,0|3,0,0]=4 662 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,0,1,0,0,0|3,0,0]=4 663 B13R0.2 CCCCOCCCNC(=O)CSC 1626a_200000211371_100000184570 [0,0,1,0,0,0|3,0,0]=4 664 B13R0.2 CCCCOCCCNC(=O)CSC 240690a_200000211371_100000184570 [0,0,1,0,0,0|3,0,0]=4 665 B13R0.2 CCCCOCCCNC(=O)CSC 527a_200000211371_100000184570 [0,0,1,0,0,0|3,0,0]=4 666 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,0,1,0,0,0|3,0,0]=4 667 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,0,1,0,0,0|3,0,0]=4 668 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,0,1,0,0,0|3,0,0]=4 669 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,0,1,0,0,0|3,0,0]=4 670 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,0,1,0,0,0|3,0,0]=4 671 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,0,1,0,0,0|3,0,0]=4 672 B13R0.2 CCCCOCCCOC(C)CCC 34a_200011215613_100000766640 [0,0,1,0,0,0|2,0,1]=4 673 B13R0.2 CCCCOCCCOC(C)CCC 7a_200011215613_100000766640 [0,0,1,0,0,0|2,0,1]=4 674 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,0,1,0,0,0|3,0,0]=4 675 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,0,1,0,0,0|3,0,0]=4 676 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000743108_100000747444 [0,0,1,0,0,0|3,0,0]=4 677 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000747444_100000743108 [0,0,1,0,0,0|3,0,0]=4 678 B13R0.2 CCCCOCSCOC(=O)CCC 62a_100011995733_100000034017 [0,0,1,0,0,0|2,0,0]=3 679 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,0,1,0,0,0|3,0,0]=4 680 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,0,1,0,0,0|3,0,0]=4 681 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,0,1,0,0,0|3,0,0]=4 682 B13R0.2 CCCCSCCNCC(=O)CCC 2230a_100025743550_100000747444 [0,0,1,0,0,0|3,0,0]=4 683 B13R0.2 CCCCSCCOCC(=O)CCC 7a_200000230436_100000747444 [0,0,1,0,0,0|3,0,0]=4 684 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,0,1,0,0,0|3,0,0]=4 685 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,0,1,0,0,0|3,0,0]=4 686 B13R0.2 CCCOCCCNCC(=O)CCC 2230a_100011217757_100000747444 [0,0,1,0,0,0|3,0,0]=4 687 B13R0.2 CCCOCCNCOC(=O)CCC 2230a_100161115042_100000034017 [0,0,1,0,0,0|2,0,0]=3 688 B13R0.2 CCCOCCNCOC(=O)CCC 34a_100161115042_100000034017 [0,0,1,0,0,0|2,0,0]=3 689 B13R0.2 CCCOCCOCOC(=O)CCC 34a_100000752267_100000034017 [0,0,1,0,0,0|2,0,0]=3 690 B13R0.2 CCCOCCSCOC(=O)CCC 62a_100011215938_100000034017 [0,0,1,0,0,0|2,0,0]=3 691 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,0,1,0,0,0|3,0,0]=4 692 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,0,1,0,0,0|3,0,0]=4 693 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,0,1,0,0,0|3,0,0]=4 694 B13R0.2 CCCSCCNCOC(=O)CCC 2230a_100020603323_100000034017 [0,0,1,0,0,0|2,0,0]=3 695 B13R0.2 CCCSCCOCOC(=O)CCC 34a_200000230433_100000034017 [0,0,1,0,0,0|2,0,0]=3 696 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,0,1,0,0,0|3,0,0]=4 697 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,0,1,0,0,0|3,0,0]=4 698 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,0,1,0,0,0|3,0,0]=4 699 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,0,1,0,0,0|3,0,0]=4 700 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,0,1,0,0,0|3,0,0]=4 701 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,0,1,0,0,0|3,0,0]=4 702 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,0,1,0,0,0|3,0,0]=4 703 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,0,1,0,0,0|3,0,0]=4 704 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,0,1,0,0,0|3,0,0]=4 705 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,0,1,0,0,0|3,0,0]=4 706 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,0,1,0,0,0|3,0,0]=4 707 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,0,1,0,0,0|3,0,0]=4 708 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,0,1,0,0,0|3,0,0]=4 709 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,0,1,0,0,0|3,0,0]=4 710 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,0,1,0,0,0|3,0,0]=4 711 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,0,1,0,0,0|3,0,0]=4 712 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,0,1,0,0,0|3,0,0]=4 713 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,0,1,0,0,0|3,0,0]=4 714 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,0,1,0,0,0|3,0,0]=4 715 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,0,1,0,0,0|3,0,0]=4 716 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,0,1,0,0,0|3,0,0]=4 717 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,0,1,0,0,0|3,0,0]=4 718 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,0,1,0,0,0|3,0,0]=4 719 B13R0.2 CSCC(=O)NCCCCCCCO 240690a_100011996573_100000184570 [0,0,1,0,0,0|3,0,0]=4 720 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,0,1,0,0,0|3,0,0]=4 721 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,0,1,0,0,0|3,0,0]=4 722 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,0,1,0,0,0|1,0,2]=4 723 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,0,1,0,0,0|3,0,0]=4 724 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,0,1,0,0,0|3,0,0]=4 725 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,0,1,0,0,0|3,0,0]=4 726 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,0,1,0,0,0|3,0,0]=4 727 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,0,1,0,0,0|3,0,0]=4 728 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,0,1,0,0,0|3,0,0]=4 729 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [0,0,1,0,0,0|3,0,0]=4 730 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [0,0,1,0,0,0|3,0,0]=4 731 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,0,1,0,0,0|3,0,0]=4 732 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,0,1,0,0,0|3,0,0]=4 733 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,0,1,0,0,0|3,0,0]=4 734 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,0,1,0,0,0|3,0,0]=4 735 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,0,1,0,0,0|3,0,0]=4 736 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [0,0,1,0,0,0|3,0,0]=4 737 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,0,1,0,0,0|3,0,0]=4 738 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,0,1,0,0,0|3,0,0]=4 739 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,0,1,0,0,0|3,0,0]=4 740 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,0,1,0,0,0|3,0,0]=4 741 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,0,1,0,0,0|3,0,0]=4 742 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,0,1,0,0,0|3,0,0]=4 743 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,0,1,0,0,0|1,0,2]=4 744 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,0,1,0,0,0|1,0,2]=4 745 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,0,1,0,0,0|2,0,0]=3 746 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,0,1,0,0,0|3,0,0]=4 747 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,0,1,0,0,0|3,0,0]=4 748 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,0,1,0,0,0|3,0,0]=4 749 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,0,1,0,0,0|3,0,0]=4 750 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,0,1,0,0,0|3,0,0]=4 751 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,0,1,0,0,0|3,0,0]=4 752 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,0,1,0,0,0|3,0,0]=4 753 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,0,1,0,0,0|3,0,0]=4 754 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,0,1,0,0,0|3,0,0]=4 755 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,0,1,0,0,0|3,0,0]=4 756 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,0,1,0,0,0|3,0,0]=4 757 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,0,1,0,0,0|3,0,0]=4 758 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,0,1,0,0,0|3,0,0]=4 759 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,0,1,0,0,0|3,0,0]=4 760 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,0,1,0,0,0|3,0,0]=4 761 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,0,1,0,0,0|3,0,0]=4 762 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,0,1,0,0,0|3,0,0]=4 763 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,0,1,0,0,0|3,0,0]=4 764 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,0,1,0,0,0|3,0,0]=4 765 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,0,1,0,0,0|3,0,0]=4 766 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,0,1,0,0,0|3,0,0]=4 767 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,0,1,0,0,0|3,0,0]=4 768 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,0,1,0,0,0|3,0,0]=4 769 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,0,1,0,0,0|3,0,0]=4 770 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,0,1,0,0,0|3,0,0]=4 771 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,0,1,0,0,0|3,0,0]=4 772 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,0,1,0,0,0|3,0,0]=4 773 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,0,1,0,0,0|3,0,0]=4 774 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,0,1,0,0,0|3,0,0]=4 775 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,0,1,0,0,0|3,0,0]=4 776 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,0,1,0,0,0|3,0,0]=4 777 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,0,1,0,0,0|3,0,0]=4 778 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,0,1,0,0,0|3,0,0]=4 779 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,0,1,0,0,0|3,0,0]=4 780 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,0,1,0,0,0|3,0,0]=4 781 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [0,0,1,0,0,0|1,0,2]=4 782 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,0,1,0,0,0|1,0,2]=4 783 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,0,1,0,0,0|1,0,2]=4 784 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,0,1,0,0,0|1,0,0]=2 785 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,0,1,0,0,0|1,0,0]=2 786 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,0,1,0,0,0|1,0,0]=2 787 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [0,0,1,0,0,0|3,0,0]=4 788 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [0,0,1,0,0,0|3,0,0]=4 789 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,0,1,0,0,0|2,0,0]=3 790 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,0,1,0,0,0|2,0,0]=3 791 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,0,1,0,0,0|2,0,0]=3 792 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,0,1,0,0,0|2,0,0]=3 793 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,0,1,0,0,0|2,0,0]=3 794 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,0,1,0,0,0|2,0,0]=3 795 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,0,1,0,0,0|2,0,0]=3 796 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,0,1,0,0,0|1,0,0]=2 797 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,0,1,0,0,0|1,0,1]=3 798 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,0,1,0,0,0|2,0,1]=4 799 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,0,1,0,0,0|2,0,1]=4 800 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,0,1,0,0,0|2,0,1]=4 801 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,0,1,0,0,0|2,0,1]=4 802 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,0,1,0,0,0|2,0,1]=4 803 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,0,1,0,0,0|2,0,1]=4 804 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,0,1,0,0,0|2,0,1]=4 805 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,0,1,0,0,0|2,0,0]=3 806 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,0,1,0,0,0|2,0,0]=3 807 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,0,1,0,0,0|2,0,0]=3 808 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,0,1,0,0,0|1,0,1]=3 809 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,0,1,0,0,0|2,0,1]=4 810 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,0,1,0,0,0|2,0,1]=4 811 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,0,1,0,0,0|2,0,1]=4 812 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,0,1,0,0,0|2,0,1]=4 813 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,0,1,0,0,0|2,0,1]=4 814 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,0,1,0,0,0|2,0,0]=3 815 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,0,1,0,0,0|1,0,1]=3 816 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,0,1,0,0,0|2,0,1]=4 817 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,0,1,0,0,0|2,0,1]=4 818 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,0,1,0,0,0|2,0,0]=3 819 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,0,1,0,0,0|2,0,0]=3 820 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,0,1,0,0,0|2,0,1]=4 821 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,0,1,0,0,0|2,0,1]=4 822 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,0,1,0,0,0|2,0,1]=4 823 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,0,1,0,0,0|3,0,0]=4 824 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,0,1,0,0,0|2,0,0]=3 825 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,0,1,0,0,0|2,0,0]=3 826 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,0,1,0,0,0|2,0,0]=3 827 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,0,1,0,0,0|2,0,0]=3 828 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,0,1,0,0,0|2,0,0]=3 829 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,0,1,0,0,0|2,0,0]=3 830 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,0,1,0,0,0|2,0,0]=3 831 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,0,1,0,0,0|2,0,0]=3 832 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,0,1,0,0,0|2,0,1]=4 833 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,0,1,0,0,0|2,0,1]=4 834 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,0,1,0,0,0|3,0,0]=4 835 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,0,1,0,0,0|2,0,0]=3 836 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,0,1,0,0,0|2,0,0]=3 837 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,0,1,0,0,0|2,0,0]=3 838 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,0,1,0,0,0|2,0,0]=3 839 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,0,1,0,0,0|2,0,1]=4 840 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,0,1,0,0,0|2,0,1]=4 841 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,0,1,0,0,0|3,0,0]=4 842 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,0,1,0,0,0|3,0,0]=4 843 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,0,1,0,0,0|2,0,0]=3 844 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,0,1,0,0,0|2,0,1]=4 845 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,0,1,0,0,0|3,0,0]=4 846 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,0,1,0,0,0|3,0,0]=4 847 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,0,1,0,0,0|3,0,0]=4 848 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,0,1,0,0,0|3,0,0]=4 849 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,0,1,0,0,0|3,0,0]=4 850 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,0,1,0,0,0|2,0,0]=3 851 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,0,1,0,0,0|2,0,0]=3 852 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,0,1,0,0,0|2,0,0]=3 853 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,0,1,0,0,0|2,0,0]=3 854 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,0,1,0,0,0|2,0,0]=3 855 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,0,1,0,0,0|2,0,0]=3 856 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,0,1,0,0,0|2,0,1]=4 857 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,0,1,0,0,0|2,0,1]=4 858 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,0,1,0,0,0|2,0,1]=4 859 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,0,1,0,0,0|3,0,0]=4 860 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,0,1,0,0,0|3,0,0]=4 861 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,0,1,0,0,0|3,0,0]=4 862 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,0,1,0,0,0|3,0,0]=4 863 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,0,1,0,0,0|3,0,0]=4 864 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,0,1,0,0,0|3,0,0]=4 865 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,0,1,0,0,0|3,0,0]=4 866 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,0,1,0,0,0|3,0,0]=4 867 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,0,1,0,0,0|3,0,0]=4 868 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,0,1,0,0,0|2,0,0]=3 869 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,0,1,0,0,0|2,0,0]=3 870 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,0,1,0,0,0|2,0,0]=3 871 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,0,1,0,0,0|2,0,0]=3 872 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,0,1,0,0,0|2,0,1]=4 873 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,0,1,0,0,0|2,0,1]=4 874 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,0,1,0,0,0|3,0,0]=4 875 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,0,1,0,0,0|3,0,0]=4 876 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,0,1,0,0,0|3,0,0]=4 877 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,0,1,0,0,0|3,0,0]=4 878 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,0,1,0,0,0|3,0,0]=4 879 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,0,1,0,0,0|3,0,0]=4 880 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,0,1,0,0,0|3,0,0]=4 881 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,0,1,0,0,0|3,0,0]=4 882 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [0,0,1,0,0,0|2,0,1]=4 883 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,0,1,0,0,0|2,0,0]=3 884 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,0,1,0,0,0|3,0,0]=4 885 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,0,1,0,0,0|3,0,0]=4 886 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,0,1,0,0,0|3,0,0]=4 887 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,0,1,0,0,0|2,0,0]=3 888 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [0,0,1,0,0,0|2,0,1]=4 889 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [0,0,1,0,0,0|2,0,1]=4 890 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,0,1,0,0,0|2,0,0]=3 891 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,0,1,0,0,0|2,0,0]=3 892 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,0,1,0,0,0|2,0,0]=3 893 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,0,1,0,0,0|2,0,0]=3 894 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,0,1,0,0,0|2,0,1]=4 895 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,0,1,0,0,0|2,0,1]=4 896 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,0,1,0,0,0|3,0,0]=4 897 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,0,1,0,0,0|3,0,0]=4 898 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,0,1,0,0,0|3,0,0]=4 899 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,0,1,0,0,0|3,0,0]=4 900 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,0,1,0,0,0|3,0,0]=4 901 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,0,1,0,0,0|3,0,0]=4 902 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,0,1,0,0,0|3,0,0]=4 903 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,0,1,0,0,0|3,0,0]=4 904 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,0,1,0,0,0|3,0,0]=4 905 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,0,1,0,0,0|2,0,1]=4 906 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [0,0,1,0,0,0|2,0,1]=4 907 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [0,0,1,0,0,0|2,0,1]=4 908 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,0,1,0,0,0|2,0,0]=3 909 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,0,1,0,0,0|2,0,0]=3 910 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,0,1,0,0,0|3,0,0]=4 911 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,0,1,0,0,0|3,0,0]=4 912 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,0,1,0,0,0|3,0,0]=4 913 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,0,1,0,0,0|3,0,0]=4 914 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,0,1,0,0,0|3,0,0]=4 915 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,0,1,0,0,0|3,0,0]=4 916 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [0,0,1,0,0,0|2,0,1]=4 917 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,0,1,0,0,0|2,0,0]=3 918 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,0,1,0,0,0|3,0,0]=4 919 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,0,1,0,0,0|3,0,0]=4 920 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,0,1,0,0,0|3,0,0]=4 921 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,0,1,0,0,0|3,0,0]=4 922 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [0,0,1,0,0,0|2,0,1]=4 923 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [0,0,1,0,0,0|2,0,1]=4 924 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,0,1,0,0,0|2,0,0]=3 925 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,0,1,0,0,0|2,0,0]=3 926 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,0,1,0,0,0|2,0,0]=3 927 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,0,1,0,0,0|2,0,0]=3 928 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,0,1,0,0,0|1,0,1]=3 929 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,0,1,0,0,0|3,0,0]=4 930 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,0,1,0,0,0|3,0,0]=4 931 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,0,1,0,0,0|3,0,0]=4 932 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,0,1,0,0,0|3,0,0]=4 933 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,0,1,0,0,0|3,0,0]=4 934 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,0,1,0,0,0|3,0,0]=4 935 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,0,1,0,0,0|3,0,0]=4 936 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,0,1,0,0,0|3,0,0]=4 937 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,0,1,0,0,0|3,0,0]=4 938 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [0,0,1,0,0,0|2,0,1]=4 939 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [0,0,1,0,0,0|2,0,1]=4 940 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,0,1,0,0,0|2,0,0]=3 941 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,0,1,0,0,0|2,0,0]=3 942 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,0,1,0,0,0|3,0,0]=4 943 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,0,1,0,0,0|3,0,0]=4 944 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,0,1,0,0,0|3,0,0]=4 945 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,0,1,0,0,0|3,0,0]=4 946 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [0,0,1,0,0,0|2,0,1]=4 947 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [0,0,1,0,0,0|2,0,1]=4 948 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,0,1,0,0,0|3,0,0]=4 949 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,0,1,0,0,0|3,0,0]=4 950 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,0,1,0,0,0|3,0,0]=4 951 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,0,1,0,0,0|3,0,0]=4 952 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,0,1,0,0,0|3,0,0]=4 953 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,0,1,0,0,0|2,0,1]=4 954 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [0,0,1,0,0,0|2,0,1]=4 955 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [0,0,1,0,0,0|2,0,1]=4 956 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,0,1,0,0,0|3,0,0]=4 957 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,0,1,0,0,0|3,0,0]=4 958 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,0,1,0,0,0|3,0,0]=4 959 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,0,1,0,0,0|3,0,0]=4 960 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,0,1,0,0,0|2,0,1]=4 961 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,0,1,0,0,0|3,0,0]=4 962 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,0,1,0,0,0|3,0,0]=4 963 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,0,1,0,0,0|3,0,0]=4 964 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,0,1,0,0,0|3,0,0]=4 965 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,0,1,0,0,0|3,0,0]=4 966 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,0,1,0,0,0|3,0,0]=4 967 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,0,1,0,0,0|3,0,0]=4 968 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,0,1,0,0,0|3,0,0]=4 969 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,0,1,0,0,0|3,0,0]=4 970 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,0,1,0,0,0|3,0,0]=4 971 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,0,1,0,0,0|3,0,0]=4 972 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,0,1,0,0,0|3,0,0]=4 973 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,0,1,0,0,0|3,0,0]=4 974 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,0,1,0,0,0|3,0,0]=4 975 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,0,1,0,0,0|3,0,0]=4 976 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,0,1,0,0,0|3,0,0]=4 977 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,0,1,0,0,0|3,0,0]=4 978 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,0,1,0,0,0|3,0,0]=4 979 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,0,1,0,0,0|3,0,0]=4 980 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,0,1,0,0,0|3,0,0]=4 981 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,0,1,0,0,0|3,0,0]=4 982 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [0,0,1,0,0,0|2,0,1]=4 983 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [0,0,1,0,0,0|2,0,1]=4 984 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,0,1,0,0,0|3,0,0]=4 985 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,0,1,0,0,0|3,0,0]=4 986 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,0,1,0,0,0|3,0,0]=4 987 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,0,1,0,0,0|3,0,0]=4 988 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,0,1,0,0,0|3,0,0]=4 989 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,0,1,0,0,0|3,0,0]=4 990 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,0,1,0,0,0|3,0,0]=4 991 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,0,1,0,0,0|3,0,0]=4 992 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,0,1,0,0,0|3,0,0]=4 993 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,0,1,0,0,0|3,0,0]=4 994 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,0,1,0,0,0|3,0,0]=4 995 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,0,1,0,0,0|3,0,0]=4 996 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,0,1,0,0,0|3,0,0]=4 997 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,0,1,0,0,0|3,0,0]=4 998 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,0,1,0,0,0|3,0,0]=4 999 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,0,1,0,0,0|3,0,0]=4 1000 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,0,1,0,0,0|3,0,0]=4 1001 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,0,1,0,0,0|3,0,0]=4 1002 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,0,1,0,0,0|3,0,0]=4 1003 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,0,1,0,0,0|3,0,0]=4 1004 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,0,1,0,0,0|3,0,0]=4 1005 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,0,1,0,0,0|3,0,0]=4 1006 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,0,1,0,0,0|3,0,0]=4 1007 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,0,1,0,0,0|3,0,0]=4 1008 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,0,1,0,0,0|3,0,0]=4 1009 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,0,1,0,0,0|3,0,0]=4 1010 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,0,1,0,0,0|3,0,0]=4 1011 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,0,1,0,0,0|3,0,0]=4 1012 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,0,1,0,0,0|3,0,0]=4 1013 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,0,1,0,0,0|3,0,0]=4 1014 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,0,1,0,0,0|3,0,0]=4 1015 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,0,1,0,0,0|3,0,0]=4 1016 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,0,1,0,0,0|3,0,0]=4 1017 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,0,1,0,0,0|3,0,0]=4 1018 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,0,1,0,0,0|3,0,0]=4 1019 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,0,1,0,0,0|3,0,0]=4 1020 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,0,1,0,0,0|3,0,0]=4 1021 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,0,1,0,0,0|2,0,1]=4 1022 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,0,1,0,0,0|3,0,0]=4 1023 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,0,1,0,0,0|3,0,0]=4 1024 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,0,1,0,0,0|3,0,0]=4 1025 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,0,1,0,0,0|3,0,0]=4 1026 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,0,1,0,0,0|3,0,0]=4 1027 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,0,1,0,0,0|3,0,0]=4 1028 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,0,1,0,0,0|3,0,0]=4 1029 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,0,1,0,0,0|3,0,0]=4 1030 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,0,1,0,0,0|3,0,0]=4 1031 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,0,1,0,0,0|2,0,1]=4 1032 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,0,1,0,0,0|3,0,0]=4 1033 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,0,1,0,0,0|3,0,0]=4 1034 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,0,1,0,0,0|3,0,0]=4 1035 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,0,1,0,0,0|3,0,0]=4 1036 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,0,1,0,0,0|3,0,0]=4 1037 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,0,1,0,0,0|3,0,0]=4 1038 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,0,1,0,0,0|3,0,0]=4 1039 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,0,1,0,0,0|3,0,0]=4 1040 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,0,1,0,0,0|3,0,0]=4 1041 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,0,1,0,0,0|3,0,0]=4 1042 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,0,1,0,0,0|3,0,0]=4 1043 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,0,1,0,0,0|3,0,0]=4 1044 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,0,1,0,0,0|3,0,0]=4 1045 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,0,1,0,0,0|3,0,0]=4 1046 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,0,1,0,0,0|3,0,0]=4 1047 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,0,1,0,0,0|3,0,0]=4 1048 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,0,1,0,0,0|3,0,0]=4 1049 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,0,1,0,0,0|3,0,0]=4 1050 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,0,1,0,0,0|3,0,0]=4 1051 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,0,1,0,0,0|3,0,0]=4 1052 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,0,1,0,0,0|3,0,0]=4 1053 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,0,1,0,0,0|3,0,0]=4 1054 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,0,1,0,0,0|3,0,0]=4 1055 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,0,1,0,0,0|3,0,0]=4 1056 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,0,1,0,0,0|3,0,0]=4 1057 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,0,1,0,0,0|3,0,0]=4 1058 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,0,1,0,0,0|3,0,0]=4 1059 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,0,1,0,0,0|3,0,0]=4 1060 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,0,1,0,0,0|3,0,0]=4 1061 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,0,1,0,0,0|3,0,0]=4 1062 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,0,1,0,0,0|2,0,1]=4 1063 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,0,1,0,0,0|3,0,0]=4 1064 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,0,1,0,0,0|3,0,0]=4 1065 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,0,1,0,0,0|3,0,0]=4 1066 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,0,1,0,0,0|3,0,0]=4 1067 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,0,1,0,0,0|3,0,0]=4 1068 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,0,1,0,0,0|3,0,0]=4 1069 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,0,1,0,0,0|3,0,0]=4 1070 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,0,1,0,0,0|3,0,0]=4 1071 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,0,1,0,0,0|3,0,0]=4 1072 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,0,1,0,0,0|3,0,0]=4 1073 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,0,1,0,0,0|3,0,0]=4 1074 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,0,1,0,0,0|3,0,0]=4 1075 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,0,1,0,0,0|3,0,0]=4 1076 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,0,1,0,0,0|3,0,0]=4 1077 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,0,1,0,0,0|3,0,0]=4 1078 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,0,1,0,0,0|3,0,0]=4 1079 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,0,1,0,0,0|3,0,0]=4 1080 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,0,1,0,0,0|3,0,0]=4 1081 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,0,1,0,0,0|3,0,0]=4 1082 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,0,1,0,0,0|3,0,0]=4 1083 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,0,1,0,0,0|3,0,0]=4 1084 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,0,1,0,0,0|3,0,0]=4 1085 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,0,1,0,0,0|3,0,0]=4 1086 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,0,1,0,0,0|3,0,0]=4 1087 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,0,1,0,0,0|3,0,0]=4 1088 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,0,1,0,0,0|3,0,0]=4 1089 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,0,1,0,0,0|3,0,0]=4 1090 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,0,1,0,0,0|3,0,0]=4 1091 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,0,1,0,0,0|3,0,0]=4 1092 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,0,1,0,0,0|3,0,0]=4 1093 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,0,1,0,0,0|3,0,0]=4 1094 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,0,1,0,0,0|3,0,0]=4 1095 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,0,1,0,0,0|3,0,0]=4 1096 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,0,1,0,0,0|3,0,0]=4 1097 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,0,1,0,0,0|3,0,0]=4 1098 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,0,1,0,0,0|3,0,0]=4 1099 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,0,1,0,0,0|3,0,0]=4 1100 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,0,1,0,0,0|3,0,0]=4 1101 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,0,1,0,0,0|3,0,0]=4 1102 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,0,1,0,0,0|3,0,0]=4 1103 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,0,1,0,0,0|3,0,0]=4 1104 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,0,1,0,0,0|3,0,0]=4 1105 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,0,1,0,0,0|3,0,0]=4 1106 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,0,1,0,0,0|3,0,0]=4 1107 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,0,1,0,0,0|3,0,0]=4 1108 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,0,1,0,0,0|3,0,0]=4 1109 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,0,1,0,0,0|3,0,0]=4 1110 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,0,1,0,0,0|3,0,0]=4 1111 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,0,1,0,0,0|3,0,0]=4 1112 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,0,1,0,0,0|3,0,0]=4 1113 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,0,1,0,0,0|3,0,0]=4 1114 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,0,1,0,0,0|3,0,0]=4 1115 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,0,1,0,0,0|3,0,0]=4 1116 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,0,1,0,0,0|3,0,0]=4 1117 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,0,1,0,0,0|3,0,0]=4 1118 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,0,1,0,0,0|3,0,0]=4 1119 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,0,1,0,0,0|3,0,0]=4 1120 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,0,1,0,0,0|3,0,0]=4 1121 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,0,1,0,0,0|3,0,0]=4 1122 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,0,1,0,0,0|3,0,0]=4 1123 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,0,1,0,0,0|2,0,1]=4 1124 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,0,1,0,0,0|3,0,0]=4 1125 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,0,1,0,0,0|3,0,0]=4 1126 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,0,1,0,0,0|3,0,0]=4 1127 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,0,1,0,0,0|2,0,0]=3 1128 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,0,1,0,0,0|3,0,0]=4 1129 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,0,1,0,0,0|3,0,0]=4 1130 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,0,1,0,0,0|3,0,0]=4 1131 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,0,1,0,0,0|2,0,1]=4 1132 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,0,1,0,0,0|2,0,1]=4 1133 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,0,1,0,0,0|2,0,1]=4 1134 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,0,1,0,0,0|2,0,1]=4 1135 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,0,1,0,0,0|2,0,1]=4 1136 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,0,1,0,0,0|2,0,1]=4 1137 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,0,1,0,0,0|2,0,1]=4 1138 B13R0.62 C=C(C)CN(CC)CCCCCCC 2230a_100000211296_100000210681 [0,0,1,0,0,0|3,0,0]=4 1139 B13R0.62 C=C(C)CN(CC)CCCCCCC 2230a_100000228213_100000748629 [0,0,1,0,0,0|3,0,0]=4 1140 B13R0.62 C=C(C)CN(CC)CCCCCCC 269982a_100000211296_100000210681 [0,0,1,0,0,0|3,0,0]=4 1141 B13R0.62 C=C(C)CN(CC)CCCCCCC 269982a_100000228213_100000748629 [0,0,1,0,0,0|3,0,0]=4 1142 B13R0.62 CCCCCCCC(CC)OC(C)C 34a_200011217053_100000210206 [0,0,1,0,0,0|1,0,1]=3 1143 B13R0.62 CCCCCCCC(CC)OC(C)C 7a_200011217053_100000210206 [0,0,1,0,0,0|1,0,1]=3 1144 B13R0.62 CCCCCCCN(CC)CC(=O)N 2230a_100000228213_100000747473 [0,0,1,0,0,0|3,0,0]=4 1145 B13R0.62 CCCCCCCN(CC)CC(=O)N 269982a_100000228213_100000187820 [0,0,1,0,0,0|3,0,0]=4 1146 B13R0.62 CCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210614 [0,0,1,0,0,0|3,0,0]=4 1147 B13R0.62 CCCCCCCN(CC)CC(=O)[O-] 269982a_100000228213_100020667443 [0,0,1,0,0,0|3,0,0]=4 1148 B13R0.62 CCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210757 [0,0,1,0,0,0|3,0,0]=4 1149 B13R0.65 C/C=C/C(CCC)OCCCCCC 34a_200016264281_100000210314 [0,0,1,0,0,0|3,0,0]=4 1150 B13R0.65 C/C=C/C(CCC)OCCCCCC 7a_200016264281_100000210314 [0,0,1,0,0,0|3,0,0]=4 1151 B13R0.65 C=CCC(CCC)OCCCCCC 34a_100011215139_100000210314 [0,0,1,0,0,0|3,0,0]=4 1152 B13R0.65 C=CCC(CCC)OCCCCCC 7a_100011215139_100000210314 [0,0,1,0,0,0|3,0,0]=4 1153 B13R0.65 CCCCCCCC(CCC)NCC 270004a_100015525214_200011216337 [0,0,1,0,0,0|2,0,1]=4 1154 B13R0.274 CCCCCCCC(=O)CC(=O)CC 1458a_100000211969_100000747405 [0,0,1,0,0,0|2,0,1]=4 1155 B13R0.274 CCCCCCCC(C)NC(C)CC 2230a_100000209981_200011218727 [0,0,1,0,0,0|2,0,1]=4 1156 B13R0.274 CCCCCCCC(C)NC(C)CC 270004a_100000209981_100000210596 [0,0,1,0,0,0|2,0,1]=4 1157 B13R0.274 CCCCCCCC(C)OC(C)CC 34a_200011215852_100011215416 [0,0,1,0,0,0|1,0,1]=3 1158 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_100000210228_200011218727 [0,0,1,0,0,0|1,0,1]=3 1159 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_200011215852_100000758301 [0,0,1,0,0,0|1,0,1]=3 1160 B13R0.274 CCCCCCCC(C)OC(C)CF 34a_100016041109_200011218727 [0,0,1,0,0,0|2,0,1]=4 1161 B13R0.274 CCCCCCCC(C)OC(C)CF 7a_100016041109_200011218727 [0,0,1,0,0,0|2,0,1]=4 1162 B13R0.274 CCCCCCCC(C)OC(C)CN 34a_100000210904_200011218727 [0,0,1,0,0,0|2,0,1]=4 1163 B13R0.274 CCCCCCCC(C)OC(C)CO 34a_200011215852_100012180447 [0,0,1,0,0,0|2,0,1]=4 1164 B13R0.274 CCCCCCCC(C)OC(C)CO 7a_200011215852_100012180447 [0,0,1,0,0,0|2,0,1]=4 1165 B13R0.274 CCCCCCCC(C)SC(C)CC 62a_100000758301_200011218727 [0,0,1,0,0,0|1,1,1]=4 1166 B13R0.274 CCCCCCCC(C)SC(C)CC 62a_200011218727_100000758301 [0,0,1,0,0,0|1,1,1]=4 1167 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [0,0,1,0,0,0|2,0,0]=3 1168 B13R0.274 CCCCCCCC(O)CC(=O)CF 1458a_200011667753_100015361967 [0,0,1,0,0,0|3,0,0]=4 1169 B13R0.274 CCCCCCCC(O)CC(=O)NC 1626a_100102657272_200011667753 [0,0,1,0,0,0|3,0,0]=4 1170 B13R0.274 CCCCCCCC(O)CC(=O)NC 240690a_100102657272_200011667753 [0,0,1,0,0,0|3,0,0]=4 1171 B13R0.274 CCCCCCCN(C)CC(=O)CC 269982a_100000228206_100000747405 [0,0,1,0,0,0|2,0,0]=3 1172 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210681 [0,0,1,0,0,0|3,0,0]=4 1173 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000228206_100000183359 [0,0,1,0,0,0|3,0,0]=4 1174 B13R0.274 CCCCCCCN(C)CC(=O)NC 269982a_100000228206_100000183359 [0,0,1,0,0,0|3,0,0]=4 1175 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [0,0,1,0,0,0|3,0,0]=4 1176 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [0,0,1,0,0,0|3,0,0]=4 1177 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [0,0,1,0,0,0|3,0,0]=4 1178 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [0,0,1,0,0,0|3,0,0]=4 1179 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [0,0,1,0,0,0|3,0,0]=4 1180 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [0,0,1,0,0,0|3,0,0]=4 1181 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [0,0,1,0,0,0|3,0,0]=4 1182 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [0,0,1,0,0,0|3,0,0]=4 1183 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [0,0,1,0,0,0|1,0,2]=4 1184 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [0,0,1,0,0,0|1,0,2]=4 1185 B13R0.338 C=CCCCN(C)CCCCCCC 2230a_100000228206_100011713584 [0,0,1,0,0,0|3,0,0]=4 1186 B13R0.338 C=CCCCN(C)CCCCCCC 269982a_100000228206_100000757094 [0,0,1,0,0,0|3,0,0]=4 1187 B13R0.338 C=CCCNC(C)CCCCCCC 2230a_100015191253_200011218727 [0,0,1,0,0,0|3,0,0]=4 1188 B13R0.338 C=CCCNC(C)CCCCCCC 270004a_100015191253_100000210596 [0,0,1,0,0,0|3,0,0]=4 1189 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [0,0,1,0,0,0|3,0,0]=4 1190 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [0,0,1,0,0,0|3,0,0]=4 1191 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [0,0,1,0,0,0|3,0,0]=4 1192 B13R0.338 C=CCCSC(C)CCCCCCC 62a_100000754431_200011218727 [0,0,1,0,0,0|3,0,0]=4 1193 B13R0.338 C=CCCSC(C)CCCCCCC 62a_200011218727_100000754431 [0,0,1,0,0,0|3,0,0]=4 1194 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [0,0,1,0,0,0|2,0,0]=3 1195 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [0,0,1,0,0,0|2,0,0]=3 1196 B15R2.31 CC1=CC(CCC1)OC2CCCCC2 34a_100011218613_100000210327 [0,0,0,1,0,0|3,0,0]=4 1197 B15R2.31 O=C1CC(CCN1)NC2CCCCC2 34a_100016994916_100000210327 [0,0,0,1,0,0|3,0,0]=4 1198 B15R2.31 O=C1CCCC(C1)OC2CCCCC2 34a_100012613340_100000210327 [0,0,0,1,0,0|2,0,0]=3 1199 B15R2.31 O=C1CCCC(C1)OC2CCCOC2 34a_100012613340_100000693364 [0,0,0,1,0,0|3,0,0]=4 1200 B15R2.31 O=C1CCCC(C1)OC2CCSCC2 34a_100012613340_100000069128 [0,0,0,1,0,0|3,0,0]=4 1201 B15R2.31 O=C1CN(CCN1)CC2CCCCC2 2230a_100000184651_100000211423 [0,0,0,1,0,0|3,0,0]=4 1202 B15R2.31 O=C1CN(CCO1)CC2CCCCC2 2230a_100000131268_100000211423 [0,0,0,1,0,0|3,0,0]=4 1203 B15R2.31 O=C1C[C@@H](CCN1)OC2CCCCC2 34a_100015189427_100000210327 [0,0,0,1,0,0|3,0,0]=4 1204 B15R2.332 CC1CCCCC1N2CCNC(=O)C2 270004a_100000184651_100000210921 [0,0,0,1,0,0|3,0,0]=4 1205 B15R2.332 CC1CCCCC1N2CCOC(=O)C2 270004a_100000131268_100000210921 [0,0,0,1,0,0|3,0,0]=4 1206 B15R2.335 CC1CCCC1NC2CCNC(=O)C2 269862a_100016994916_100000752053 [0,0,0,1,0,0|3,0,0]=4 1207 B15R2.1117 CC1=CC(CCC1)OCC2CCCC2 34a_100011218613_100000740388 [0,0,0,1,0,0|3,0,0]=4 1208 B15R2.1117 O=C1CC(CCN1)COC2CCCC2 34a_100009886756_100000179811 [0,0,0,1,0,0|3,0,0]=4 1209 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 2230a_100016994916_100000740388 [0,0,0,1,0,0|3,0,0]=4 1210 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 269862a_100016994916_100000746403 [0,0,0,1,0,0|3,0,0]=4 1211 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 34a_100016994916_100000740388 [0,0,0,1,0,0|3,0,0]=4 1212 B15R2.1117 O=C1CCCC(C1)OCC2CCCC2 34a_100012613340_100000740388 [0,0,0,1,0,0|2,0,0]=3 1213 B15R2.1117 O=C1CCCC(C1)OCC2CCOC2 34a_100012613340_100011261433 [0,0,0,1,0,0|3,0,0]=4 1214 B15R2.1117 O=C1CCCC(N1)COC2CCCC2 34a_200000102386_100000179811 [0,0,0,1,0,0|2,0,0]=3 1215 B15R2.1117 O=C1CCCC(N1)COC2CCOC2 34a_200000102386_100000690089 [0,0,0,1,0,0|3,0,0]=4 1216 B15R2.1117 O=C1CN(CCN1)CCC2CCCC2 2230a_100000184651_100000760354 [0,0,0,1,0,0|3,0,0]=4 1217 B15R2.1117 O=C1CN(CCO1)CCC2CCCC2 2230a_100000131268_100000760354 [0,0,0,1,0,0|3,0,0]=4 1218 B15R2.1117 O=C1COCC(N1)COC2CCCC2 34a_200000101122_100000179811 [0,0,0,1,0,0|3,0,0]=4 1219 B15R2.1117 O=C1C[C@@H](CCN1)OCC2CCCC2 34a_100015189427_100000740388 [0,0,0,1,0,0|3,0,0]=4 1220 B15R2.2188 CCC1CCCC1N2CCNC(=O)C2 270004a_100000184651_100000749056 [0,0,0,1,0,0|3,0,0]=4 1221 B15R2.2188 CCC1CCCC1N2CCOC(=O)C2 270004a_100000131268_100000749056 [0,0,0,1,0,0|3,0,0]=4 1222 B15R2.7124 O=C1CN(CCN1)C2CCCCCC2 270004a_100000184651_100000210131 [0,0,0,1,0,0|3,0,0]=4 1223 B15R2.7124 O=C1CN(CCO1)C2CCCCCC2 270004a_100000131268_100000210131 [0,0,0,1,0,0|3,0,0]=4 1224 B15R2.7133 O=C1CC(CCN1)COCCC2CC2 34a_100009886756_100000694398 [0,0,0,1,0,0|3,0,0]=4 1225 B15R2.7133 O=C1CCCC(C1)OCCCC2CO2 34a_100012613340_100000733510 [0,0,0,1,0,0|3,0,0]=4 1226 B15R2.7133 O=C1CCCC(N1)COCCC2CC2 34a_200000102386_100000694398 [0,0,0,1,0,0|2,0,0]=3 1227 B15R2.7133 O=C1CCCC(N1)COCCC2CO2 34a_200000102386_100000732470 [0,0,0,1,0,0|3,0,0]=4 1228 B15R2.7133 O=C1COCC(N1)COCCC2CC2 34a_200000101122_100000694398 [0,0,0,1,0,0|3,0,0]=4 1229 B15R2.7146 O=C1CC(CCN1)COCC2CCC2 34a_100009886756_100000763275 [0,0,0,1,0,0|3,0,0]=4 1230 B15R2.7146 O=C1CCCC(N1)COCC2CCC2 34a_200000102386_100000763275 [0,0,0,1,0,0|2,0,0]=3 1231 B15R2.7146 O=C1CCCC(N1)COCC2CCO2 34a_200000102386_100000103362 [0,0,0,1,0,0|3,0,0]=4 1232 B15R2.7146 O=C1CCCC(N1)COCC2COC2 34a_200000102386_100010264016 [0,0,0,1,0,0|3,0,0]=4 1233 B15R2.7146 O=C1COCC(N1)COCC2CCC2 34a_200000101122_100000763275 [0,0,0,1,0,0|3,0,0]=4 1234 B13R1.27 CCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210681 [0,0,0,0,1,0|3,0,0]=4 1235 B13R1.27 CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210314 [0,0,0,0,1,0|3,0,0]=4 1236 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [0,0,0,0,1,0|2,0,0]=3 1237 B13R1.27 CCCCCCOC1CNC(=O)C1 34a_100000690082_100000210314 [0,0,0,0,1,0|3,0,0]=4 1238 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [0,0,0,0,1,0|2,0,0]=3 1239 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [0,0,0,0,1,0|2,0,0]=3 1240 B13R1.27 CCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210326 [0,0,0,0,1,0|3,0,0]=4 1241 B13R1.27 CCCCCNCC1CNC(=O)C1 34a_100016993742_100000718602 [0,0,0,0,1,0|3,0,0]=4 1242 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [0,0,0,0,1,0|2,0,0]=3 1243 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [0,0,0,0,1,0|2,0,0]=3 1244 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [0,0,0,0,1,0|2,0,0]=3 1245 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [0,0,0,0,1,0|2,0,0]=3 1246 B13R1.27 CCCCCNC[C@H]1COC(=O)N1 2230a_100000209983_100015307671 [0,0,0,0,1,0|3,0,0]=4 1247 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [0,0,0,0,1,0|2,0,0]=3 1248 B13R1.27 CCCCCOCC1CNC(=O)C1 34a_100016041077_100000718602 [0,0,0,0,1,0|3,0,0]=4 1249 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [0,0,0,0,1,0|2,0,0]=3 1250 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [0,0,0,0,1,0|2,0,0]=3 1251 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [0,0,0,0,1,0|2,0,0]=3 1252 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [0,0,0,0,1,0|2,0,0]=3 1253 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [0,0,0,0,1,0|2,0,0]=3 1254 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 34a_100000210253_100015307671 [0,0,0,0,1,0|3,0,0]=4 1255 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 7a_100000210253_100015307671 [0,0,0,0,1,0|3,0,0]=4 1256 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [0,0,0,0,1,0|2,0,0]=3 1257 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [0,0,0,0,1,0|2,0,0]=3 1258 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [0,0,0,0,1,0|2,0,0]=3 1259 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [0,0,0,0,1,0|2,0,0]=3 1260 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [0,0,0,0,1,0|2,0,0]=3 1261 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [0,0,0,0,1,0|2,0,0]=3 1262 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100000210326_100015307671 [0,0,0,0,1,0|3,0,0]=4 1263 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210326 [0,0,0,0,1,0|3,0,0]=4 1264 B13R1.27 CCCCNCCC1COS(=O)O1 7a_106832991798_100009840081 [0,0,0,0,1,0|3,0,0]=4 1265 B13R1.27 CCCCOCCC1COS(=O)O1 7a_100000210227_100009840081 [0,0,0,0,1,0|3,0,0]=4 1266 B13R1.27 CCCCOCOC1CCC(=O)C1 34a_100012614533_100011995733 [0,0,0,0,1,0|3,0,0]=4 1267 B13R1.27 CCCCOCSC1COC(=O)O1 62a_100011995733_100000032252 [0,0,0,0,1,0|3,0,0]=4 1268 B13R1.27 CCCCSCCC1COS(=O)O1 62a_100000210211_100009840081 [0,0,0,0,1,0|3,0,0]=4 1269 B13R1.27 CCCOCCNC1COC(=O)O1 34a_100161115042_100000032252 [0,0,0,0,1,0|3,0,0]=4 1270 B13R1.27 CCCOCCOC1CCC(=O)C1 34a_100012614533_100011215938 [0,0,0,0,1,0|3,0,0]=4 1271 B13R1.27 CCCOCCOC1COC(=O)O1 34a_100000752267_100000032252 [0,0,0,0,1,0|3,0,0]=4 1272 B13R1.27 CCCOCCSC1COC(=O)O1 62a_100011215938_100000032252 [0,0,0,0,1,0|3,0,0]=4 1273 B13R1.27 CCCSCCOC1COC(=O)O1 34a_200000230433_100000032252 [0,0,0,0,1,0|3,0,0]=4 1274 B13R1.27 CCOCCCNC1COC(=O)O1 34a_100000210961_100000032252 [0,0,0,0,1,0|3,0,0]=4 1275 B13R1.27 CCOCCCOC1CCC(=O)C1 34a_100012614533_100012232248 [0,0,0,0,1,0|3,0,0]=4 1276 B13R1.27 CCOCCCOC1COC(=O)O1 34a_100000757476_100000032252 [0,0,0,0,1,0|3,0,0]=4 1277 B13R1.27 CCOCCCSC1COC(=O)O1 62a_100012232248_100000032252 [0,0,0,0,1,0|3,0,0]=4 1278 B13R1.27 CCOCCNCC1CNC(=O)O1 2230a_102516460346_100000181169 [0,0,0,0,1,0|3,0,0]=4 1279 B13R1.27 CCOCCNCC1CNC(=O)O1 34a_102516460346_100000181169 [0,0,0,0,1,0|3,0,0]=4 1280 B13R1.27 CCOCCNCC1COC(=O)O1 34a_102516460346_100000073702 [0,0,0,0,1,0|3,0,0]=4 1281 B13R1.27 CCOCCNC[C@@H]1CCC(=O)N1 2230a_102516460346_100015189358 [0,0,0,0,1,0|3,0,0]=4 1282 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215890 [0,0,0,0,1,0|3,0,0]=4 1283 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210147 [0,0,0,0,1,0|3,0,0]=4 1284 B13R1.27 CCOCCOCC1CCC(=O)N1 34a_100000737831_100000210147 [0,0,0,0,1,0|3,0,0]=4 1285 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100000210136_100000181169 [0,0,0,0,1,0|3,0,0]=4 1286 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100011315639_100000210147 [0,0,0,0,1,0|3,0,0]=4 1287 B13R1.27 CCOCCOCC1CNC(=O)O1 7a_100000210136_100000181169 [0,0,0,0,1,0|3,0,0]=4 1288 B13R1.27 CCOCCOCC1COC(=O)O1 34a_100000210136_100000073702 [0,0,0,0,1,0|3,0,0]=4 1289 B13R1.27 CCOCCOC[C@@H]1CCC(=O)N1 7a_100000210136_100015189358 [0,0,0,0,1,0|3,0,0]=4 1290 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000181169_100011215890 [0,0,0,0,1,0|3,0,0]=4 1291 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000210147_100000181169 [0,0,0,0,1,0|3,0,0]=4 1292 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000073702_100011215890 [0,0,0,0,1,0|3,0,0]=4 1293 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000210147_100000073702 [0,0,0,0,1,0|3,0,0]=4 1294 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100000210147_100015189358 [0,0,0,0,1,0|3,0,0]=4 1295 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215890 [0,0,0,0,1,0|3,0,0]=4 1296 B13R1.27 CCSCCCOC1COC(=O)O1 34a_100011216438_100000032252 [0,0,0,0,1,0|3,0,0]=4 1297 B13R1.27 CCSCCNCC1CNC(=O)O1 2230a_100000106463_100000181169 [0,0,0,0,1,0|3,0,0]=4 1298 B13R1.27 CCSCCNC[C@@H]1CCC(=O)N1 2230a_100000106463_100015189358 [0,0,0,0,1,0|3,0,0]=4 1299 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000757381 [0,0,0,0,1,0|3,0,0]=4 1300 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000757381 [0,0,0,0,1,0|3,0,0]=4 1301 B13R1.27 CCSCCOCC1CCC(=O)N1 34a_100000737831_100000757381 [0,0,0,0,1,0|3,0,0]=4 1302 B13R1.27 CCSCCOCC1CNC(=O)O1 34a_100000212035_100000181169 [0,0,0,0,1,0|3,0,0]=4 1303 B13R1.27 CCSCCOCC1CNC(=O)O1 34a_100011315639_100000757381 [0,0,0,0,1,0|3,0,0]=4 1304 B13R1.27 CCSCCOCC1CNC(=O)O1 7a_100000212035_100000181169 [0,0,0,0,1,0|3,0,0]=4 1305 B13R1.27 CCSCCOCC1COC(=O)O1 34a_100000212035_100000073702 [0,0,0,0,1,0|3,0,0]=4 1306 B13R1.27 CCSCCOC[C@@H]1CCC(=O)N1 7a_100000212035_100015189358 [0,0,0,0,1,0|3,0,0]=4 1307 B13R1.27 CCSCCSCC1CNC(=O)O1 62a_100000181169_100000757381 [0,0,0,0,1,0|3,0,0]=4 1308 B13R1.27 CCSCCSCC1CNC(=O)O1 62a_100000757381_100000181169 [0,0,0,0,1,0|3,0,0]=4 1309 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000073702_100000757381 [0,0,0,0,1,0|3,0,0]=4 1310 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000757381_100000073702 [0,0,0,0,1,0|3,0,0]=4 1311 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100000757381_100015189358 [0,0,0,0,1,0|3,0,0]=4 1312 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757381 [0,0,0,0,1,0|3,0,0]=4 1313 B13R1.27 CNCCCOCC1CNC(=O)O1 34a_100000213112_100000181169 [0,0,0,0,1,0|3,0,0]=4 1314 B13R1.27 CNCCCOCC1COC(=O)O1 34a_100000213112_100000073702 [0,0,0,0,1,0|3,0,0]=4 1315 B13R1.27 COCCCCOC1CCC(=O)C1 34a_100012614533_100000755781 [0,0,0,0,1,0|3,0,0]=4 1316 B13R1.27 COCCCCOC1COC(=O)O1 34a_100000740925_100000032252 [0,0,0,0,1,0|3,0,0]=4 1317 B13R1.27 COCCCCSC1COC(=O)O1 62a_100000730899_100000032252 [0,0,0,0,1,0|3,0,0]=4 1318 B13R1.27 COCCCNCC1CNC(=O)O1 34a_100150723488_100000181169 [0,0,0,0,1,0|3,0,0]=4 1319 B13R1.27 COCCCNCC1COC(=O)O1 34a_100150723488_100000073702 [0,0,0,0,1,0|3,0,0]=4 1320 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000740836 [0,0,0,0,1,0|3,0,0]=4 1321 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000740836 [0,0,0,0,1,0|3,0,0]=4 1322 B13R1.27 COCCCOCC1CCC(=O)N1 34a_100000737831_100000740836 [0,0,0,0,1,0|3,0,0]=4 1323 B13R1.27 COCCCOCC1CNC(=O)O1 34a_100000740835_100000181169 [0,0,0,0,1,0|3,0,0]=4 1324 B13R1.27 COCCCOCC1CNC(=O)O1 34a_100011315639_100000740836 [0,0,0,0,1,0|3,0,0]=4 1325 B13R1.27 COCCCOCC1COC(=O)O1 34a_100000740835_100000073702 [0,0,0,0,1,0|3,0,0]=4 1326 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000181169_100000709357 [0,0,0,0,1,0|3,0,0]=4 1327 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000709357_100000181169 [0,0,0,0,1,0|3,0,0]=4 1328 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000073702_100000709357 [0,0,0,0,1,0|3,0,0]=4 1329 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000709357_100000073702 [0,0,0,0,1,0|3,0,0]=4 1330 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100000709357_100015189358 [0,0,0,0,1,0|3,0,0]=4 1331 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000709357 [0,0,0,0,1,0|3,0,0]=4 1332 B13R1.27 CSCCCCOC1COC(=O)O1 34a_100011217163_100000032252 [0,0,0,0,1,0|3,0,0]=4 1333 B13R1.27 CSCCCNCC1CNC(=O)O1 2230a_100000749238_100000181169 [0,0,0,0,1,0|3,0,0]=4 1334 B13R1.27 CSCCCNC[C@@H]1CCC(=O)N1 2230a_100000749238_100015189358 [0,0,0,0,1,0|3,0,0]=4 1335 B13R1.27 CSCCCOCC1CNC(=O)O1 34a_100000690336_100000181169 [0,0,0,0,1,0|3,0,0]=4 1336 B13R1.27 CSCCCOCC1CNC(=O)O1 7a_100000690336_100000181169 [0,0,0,0,1,0|3,0,0]=4 1337 B13R1.27 CSCCCOCC1COC(=O)O1 34a_100000690336_100000073702 [0,0,0,0,1,0|3,0,0]=4 1338 B13R1.27 CSCCCOC[C@@H]1CCC(=O)N1 7a_100000690336_100015189358 [0,0,0,0,1,0|3,0,0]=4 1339 B13R1.27 NCCCCCOC1COC(=O)O1 34a_100000762737_100000032252 [0,0,0,0,1,0|3,0,0]=4 1340 B13R1.27 NCCCCOCC1CNC(=O)O1 34a_100000750430_100000181169 [0,0,0,0,1,0|3,0,0]=4 1341 B13R1.27 NCCCCOCC1COC(=O)O1 34a_100000750430_100000073702 [0,0,0,0,1,0|3,0,0]=4 1342 B13R1.27 O=C1CCC(C1)OCCCCCF 34a_100012614533_100000729378 [0,0,0,0,1,0|3,0,0]=4 1343 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [0,0,0,0,1,0|3,0,0]=4 1344 B13R1.27 O=C1CCC(N1)COCCCCF 34a_100000737831_100000729493 [0,0,0,0,1,0|3,0,0]=4 1345 B13R1.27 O=C1CCC(N1)COCCCCO 34a_100000737831_100011216708 [0,0,0,0,1,0|3,0,0]=4 1346 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 2230a_100015423886_100000729493 [0,0,0,0,1,0|3,0,0]=4 1347 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 34a_100015423886_100000729493 [0,0,0,0,1,0|3,0,0]=4 1348 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 2230a_100015423886_100000210776 [0,0,0,0,1,0|3,0,0]=4 1349 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 34a_100015423886_100011216708 [0,0,0,0,1,0|3,0,0]=4 1350 B13R1.27 O=C1CC[C@H](N1)CNCCCCO 2230a_100000750430_100015189358 [0,0,0,0,1,0|3,0,0]=4 1351 B13R1.27 O=C1CC[C@H](N1)COCCCCCl 7a_100000210776_100015189358 [0,0,0,0,1,0|3,0,0]=4 1352 B13R1.27 O=C1CC[C@H](N1)COCCCCF 7a_100011995726_100015189358 [0,0,0,0,1,0|3,0,0]=4 1353 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100000729493_100015189358 [0,0,0,0,1,0|3,0,0]=4 1354 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100015189358_100000729493 [0,0,0,0,1,0|3,0,0]=4 1355 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100000210776_100015189358 [0,0,0,0,1,0|3,0,0]=4 1356 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100015189358_100000210776 [0,0,0,0,1,0|3,0,0]=4 1357 B13R1.27 O=C1NCC(O1)CNCCCCO 2230a_100000750430_100000181169 [0,0,0,0,1,0|3,0,0]=4 1358 B13R1.27 O=C1NCC(O1)CNCCCCO 34a_100000750430_100000181169 [0,0,0,0,1,0|3,0,0]=4 1359 B13R1.27 O=C1NCC(O1)COCCCCBr 34a_100011216708_100000181169 [0,0,0,0,1,0|3,0,0]=4 1360 B13R1.27 O=C1NCC(O1)COCCCCCl 34a_100000210776_100000181169 [0,0,0,0,1,0|3,0,0]=4 1361 B13R1.27 O=C1NCC(O1)COCCCCCl 7a_100000210776_100000181169 [0,0,0,0,1,0|3,0,0]=4 1362 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011315639_100000729493 [0,0,0,0,1,0|3,0,0]=4 1363 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011995726_100000181169 [0,0,0,0,1,0|3,0,0]=4 1364 B13R1.27 O=C1NCC(O1)COCCCCF 7a_100011995726_100000181169 [0,0,0,0,1,0|3,0,0]=4 1365 B13R1.27 O=C1NCC(O1)COCCCCI 34a_200012148704_100000181169 [0,0,0,0,1,0|3,0,0]=4 1366 B13R1.27 O=C1NCC(O1)COCCCCO 34a_100011315639_100011216708 [0,0,0,0,1,0|3,0,0]=4 1367 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000181169_100000729493 [0,0,0,0,1,0|3,0,0]=4 1368 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000729493_100000181169 [0,0,0,0,1,0|3,0,0]=4 1369 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000181169_100000210776 [0,0,0,0,1,0|3,0,0]=4 1370 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000210776_100000181169 [0,0,0,0,1,0|3,0,0]=4 1371 B13R1.27 O=C1OCC(O1)CNCCCCO 34a_100000750430_100000073702 [0,0,0,0,1,0|3,0,0]=4 1372 B13R1.27 O=C1OCC(O1)COCCCCBr 34a_100011216708_100000073702 [0,0,0,0,1,0|3,0,0]=4 1373 B13R1.27 O=C1OCC(O1)COCCCCCl 34a_100000210776_100000073702 [0,0,0,0,1,0|3,0,0]=4 1374 B13R1.27 O=C1OCC(O1)COCCCCF 34a_100011995726_100000073702 [0,0,0,0,1,0|3,0,0]=4 1375 B13R1.27 O=C1OCC(O1)COCCCCI 34a_200012148704_100000073702 [0,0,0,0,1,0|3,0,0]=4 1376 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000073702_100000729493 [0,0,0,0,1,0|3,0,0]=4 1377 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000729493_100000073702 [0,0,0,0,1,0|3,0,0]=4 1378 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000073702_100000210776 [0,0,0,0,1,0|3,0,0]=4 1379 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000210776_100000073702 [0,0,0,0,1,0|3,0,0]=4 1380 B13R1.27 O=C1OCC(O1)NCCCCCO 34a_100000762737_100000032252 [0,0,0,0,1,0|3,0,0]=4 1381 B13R1.27 O=C1OCC(O1)OCCCCCBr 34a_100000746331_100000032252 [0,0,0,0,1,0|3,0,0]=4 1382 B13R1.27 O=C1OCC(O1)OCCCCCCl 34a_100000746330_100000032252 [0,0,0,0,1,0|3,0,0]=4 1383 B13R1.27 O=C1OCC(O1)OCCCCCI 34a_200012148887_100000032252 [0,0,0,0,1,0|3,0,0]=4 1384 B13R1.27 O=C1OCC(O1)SCCCCCF 62a_100000729378_100000032252 [0,0,0,0,1,0|3,0,0]=4 1385 B13R1.27 O=C1OCC(O1)SCCCCCO 62a_100000746330_100000032252 [0,0,0,0,1,0|3,0,0]=4 1386 B13R1.654 C#CCCCCNC1CCCC1=O 2230a_100000706060_100000211823 [0,0,0,0,1,0|1,0,2]=4 1387 B13R1.654 C#CCCCCNC1CCCC1=O 34a_100000706060_100000709159 [0,0,0,0,1,0|1,0,2]=4 1388 B13R1.654 C#CCCCCOC1CCCC1=O 34a_100000766709_100000709159 [0,0,0,0,1,0|1,0,2]=4 1389 B13R1.654 C#CCCCCOC1CCCC1=O 34a_200000719330_100010269958 [0,0,0,0,1,0|1,0,2]=4 1390 B13R1.654 C#CCCCCOC1CCCC1=O 7a_100000766709_100000211823 [0,0,0,0,1,0|1,0,2]=4 1391 B13R1.654 C#CCCCCSC1CCCC1=O 62a_100000211823_100010269958 [0,0,0,0,1,0|1,0,2]=4 1392 B13R1.654 C#CCCCCSC1CCCC1=O 62a_100010269958_100000211823 [0,0,0,0,1,0|1,0,2]=4 1393 B13R1.654 C=CCCCCNC1CCCC1=O 2230a_100000703577_100000211823 [0,0,0,0,1,0|1,0,2]=4 1394 B13R1.654 C=CCCCCNC1CCCC1=O 34a_100000703577_100000709159 [0,0,0,0,1,0|1,0,2]=4 1395 B13R1.654 C=CCCCCOC1CCCC1=O 34a_100000766645_100000709159 [0,0,0,0,1,0|1,0,2]=4 1396 B13R1.654 C=CCCCCOC1CCCC1=O 34a_200000719330_100011215482 [0,0,0,0,1,0|1,0,2]=4 1397 B13R1.654 C=CCCCCOC1CCCC1=O 7a_100000766645_100000211823 [0,0,0,0,1,0|1,0,2]=4 1398 B13R1.654 C=CCCCCSC1CCCC1=O 62a_100000211823_100011215482 [0,0,0,0,1,0|1,0,2]=4 1399 B13R1.654 C=CCCCCSC1CCCC1=O 62a_100011215482_100000211823 [0,0,0,0,1,0|1,0,2]=4 1400 B13R1.654 CC/C=C\CCOC1CCCC1=O 34a_100016288707_100000709159 [0,0,0,0,1,0|1,0,2]=4 1401 B13R1.654 CC/C=C\CCOC1CCCC1=O 34a_200000719330_100015370543 [0,0,0,0,1,0|1,0,2]=4 1402 B13R1.654 CC/C=C\CCOC1CCCC1=O 7a_100016288707_100000211823 [0,0,0,0,1,0|1,0,2]=4 1403 B13R1.654 CC/C=C\CCSC1CCCC1=O 62a_100000211823_100015370543 [0,0,0,0,1,0|1,0,2]=4 1404 B13R1.654 CC/C=C\CCSC1CCCC1=O 62a_100015370543_100000211823 [0,0,0,0,1,0|1,0,2]=4 1405 B13R1.654 CC=CCCCOC1CCCC1=O 34a_100020645299_100000709159 [0,0,0,0,1,0|1,0,2]=4 1406 B13R1.654 CCC#CCCOC1CCCC1=O 34a_100000036655_100000709159 [0,0,0,0,1,0|1,0,2]=4 1407 B13R1.654 CCC#CCCOC1CCCC1=O 7a_100000036655_100000211823 [0,0,0,0,1,0|1,0,2]=4 1408 B13R1.654 CCC/C=C/COC1CCCC1=O 34a_100016278788_100000709159 [0,0,0,0,1,0|1,0,2]=4 1409 B13R1.654 CCC/C=C/COC1CCCC1=O 7a_100016278788_100000211823 [0,0,0,0,1,0|1,0,2]=4 1410 B13R1.654 CCCC#CCOC1CCCC1=O 34a_100000034806_100000709159 [0,0,0,0,1,0|1,0,2]=4 1411 B13R1.654 CCCC#CCOC1CCCC1=O 7a_100000034806_100000211823 [0,0,0,0,1,0|1,0,2]=4 1412 B13R1.654 CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210681 [0,0,0,0,1,0|2,0,1]=4 1413 B13R1.654 CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210681 [0,0,0,0,1,0|2,0,1]=4 1414 B13R1.654 CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210681 [0,0,0,0,1,0|2,0,1]=4 1415 B13R1.654 CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210681 [0,0,0,0,1,0|2,0,1]=4 1416 B13R1.654 CCCCCCCN1CCC[C@H]1C 34a_100015189458_100000210614 [0,0,0,0,1,0|2,0,1]=4 1417 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,0,0,0,1,0|1,0,0]=2 1418 B13R1.654 CCCCCCNC1CCCC1C 269862a_100000210581_100000752053 [0,0,0,0,1,0|2,0,1]=4 1419 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [0,0,0,0,1,0|2,0,0]=3 1420 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [0,0,0,0,1,0|2,0,0]=3 1421 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [0,0,0,0,1,0|2,0,0]=3 1422 B13R1.654 CCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210314 [0,0,0,0,1,0|3,0,0]=4 1423 B13R1.654 CCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210314 [0,0,0,0,1,0|3,0,0]=4 1424 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,0,0,0,1,0|1,0,0]=2 1425 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,0,0,0,1,0|1,0,0]=2 1426 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,0,0,0,1,0|1,0,0]=2 1427 B13R1.654 CCCCCCOC1CCCC1C 34a_100011216460_100000210314 [0,0,0,0,1,0|2,0,1]=4 1428 B13R1.654 CCCCCCOC1CCCC1C 7a_100011216460_100000210314 [0,0,0,0,1,0|2,0,1]=4 1429 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [0,0,0,0,1,0|2,0,0]=3 1430 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [0,0,0,0,1,0|2,0,0]=3 1431 B13R1.654 CCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210314 [0,0,0,0,1,0|2,0,1]=4 1432 B13R1.654 CCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210314 [0,0,0,0,1,0|2,0,1]=4 1433 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [0,0,0,0,1,0|2,0,0]=3 1434 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,0,0,0,1,0|1,0,0]=2 1435 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,0,0,0,1,0|1,0,0]=2 1436 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [0,0,0,0,1,0|2,0,0]=3 1437 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [0,0,0,0,1,0|2,0,0]=3 1438 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210314_200016002552 [0,0,0,0,1,0|1,0,2]=4 1439 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210757 [0,0,0,0,1,0|1,0,2]=4 1440 B13R1.654 CCCCCOCC1=CCCC1=O 34a_100000087531_100000718602 [0,0,0,0,1,0|1,0,2]=4 1441 B13R1.654 CCCCCOCC1CCCN1C 34a_100000743107_100000718602 [0,0,0,0,1,0|3,0,0]=4 1442 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [0,0,0,0,1,0|2,0,0]=3 1443 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000026320_100000210326 [0,0,0,0,1,0|2,0,0]=3 1444 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000210326_100000026320 [0,0,0,0,1,0|2,0,0]=3 1445 B13R1.654 CCCCNCCC1CCCN1C 2230a_100000102301_100000005710 [0,0,0,0,1,0|3,0,0]=4 1446 B13R1.654 CCCCNCCC1CCCN1C 7a_106832991798_100000005710 [0,0,0,0,1,0|3,0,0]=4 1447 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100000102301_100000739059 [0,0,0,0,1,0|2,0,0]=3 1448 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100011200922_100000210211 [0,0,0,0,1,0|2,0,0]=3 1449 B13R1.654 CCCCNCCN1CCCC1=O 7a_106832991798_100000739059 [0,0,0,0,1,0|2,0,0]=3 1450 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100000102301_100000090651 [0,0,0,0,1,0|3,0,0]=4 1451 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100011207550_100000210211 [0,0,0,0,1,0|3,0,0]=4 1452 B13R1.654 CCCCNCCN1CCNC1=O 7a_106832991798_100000090651 [0,0,0,0,1,0|3,0,0]=4 1453 B13R1.654 CCCCOCCC1CCCN1C 34a_100000210227_100000005710 [0,0,0,0,1,0|3,0,0]=4 1454 B13R1.654 CCCCOCCC1CCCN1C 34a_100011215177_100000210210 [0,0,0,0,1,0|3,0,0]=4 1455 B13R1.654 CCCCOCCC1CCCN1C 7a_100000210227_100000005710 [0,0,0,0,1,0|3,0,0]=4 1456 B13R1.654 CCCCOCCC1CCCN1C 7a_100011215177_100000210211 [0,0,0,0,1,0|3,0,0]=4 1457 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000210227_100000739059 [0,0,0,0,1,0|2,0,0]=3 1458 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000211209_100000210210 [0,0,0,0,1,0|2,0,0]=3 1459 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000210227_100000739059 [0,0,0,0,1,0|2,0,0]=3 1460 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000211209_100000210211 [0,0,0,0,1,0|2,0,0]=3 1461 B13R1.654 CCCCOCCN1CCNC1=O 34a_100000216532_100000210210 [0,0,0,0,1,0|3,0,0]=4 1462 B13R1.654 CCCCOCCN1CCNC1=O 7a_100000210227_100000090651 [0,0,0,0,1,0|3,0,0]=4 1463 B13R1.654 CCCCOCNC1CCNC1=O 2230a_100016995588_100011995733 [0,0,0,0,1,0|3,0,0]=4 1464 B13R1.654 CCCCOCNC1CCNC1=O 34a_100016995588_100011995733 [0,0,0,0,1,0|3,0,0]=4 1465 B13R1.654 CCCCOCOC1CCCC1=O 34a_200000719330_100011995733 [0,0,0,0,1,0|2,0,0]=3 1466 B13R1.654 CCCCOCO[C@H]1CCNC1=O 34a_100000688343_100011995733 [0,0,0,0,1,0|3,0,0]=4 1467 B13R1.654 CCCCOCSC1CCCC1=O 62a_100000211823_100011995733 [0,0,0,0,1,0|2,0,0]=3 1468 B13R1.654 CCCCOCSC1CCCC1=O 62a_100011995733_100000211823 [0,0,0,0,1,0|2,0,0]=3 1469 B13R1.654 CCCCOCSC1CCOC1=O 62a_100000211211_100011995733 [0,0,0,0,1,0|3,0,0]=4 1470 B13R1.654 CCCCOCSC1CCOC1=O 62a_100011995733_100000211211 [0,0,0,0,1,0|3,0,0]=4 1471 B13R1.654 CCCCSCCC1CCCN1C 62a_100000005710_100000210210 [0,0,0,0,1,0|3,0,0]=4 1472 B13R1.654 CCCCSCCC1CCCN1C 62a_100000210211_100000005710 [0,0,0,0,1,0|3,0,0]=4 1473 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000210211_100000739059 [0,0,0,0,1,0|2,0,0]=3 1474 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000739059_100000210210 [0,0,0,0,1,0|2,0,0]=3 1475 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000090651_100000210210 [0,0,0,0,1,0|3,0,0]=4 1476 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000210211_100000090651 [0,0,0,0,1,0|3,0,0]=4 1477 B13R1.654 CCCNCCCN1CCCC1=O 2230a_100000210347_100000210303 [0,0,0,0,1,0|2,0,0]=3 1478 B13R1.654 CCCNCCCN1CCCC1=O 34a_100000210347_100000210303 [0,0,0,0,1,0|2,0,0]=3 1479 B13R1.654 CCCOCCCN1CCCC1=O 34a_100011216539_100000210303 [0,0,0,0,1,0|2,0,0]=3 1480 B13R1.654 CCCOCCCN1CCCC1=O 7a_100011216539_100000210303 [0,0,0,0,1,0|2,0,0]=3 1481 B13R1.654 CCCOCCNC1CCCC1=O 2230a_100161115042_100000211823 [0,0,0,0,1,0|2,0,0]=3 1482 B13R1.654 CCCOCCNC1CCCC1=O 34a_100161115042_100000709159 [0,0,0,0,1,0|2,0,0]=3 1483 B13R1.654 CCCOCCNC1CCNC1=O 2230a_100016995588_100011215938 [0,0,0,0,1,0|3,0,0]=4 1484 B13R1.654 CCCOCCNC1CCNC1=O 34a_100016995588_100011215938 [0,0,0,0,1,0|3,0,0]=4 1485 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [0,0,0,0,1,0|3,0,0]=4 1486 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [0,0,0,0,1,0|3,0,0]=4 1487 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [0,0,0,0,1,0|2,0,0]=3 1488 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [0,0,0,0,1,0|2,0,0]=3 1489 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [0,0,0,0,1,0|2,0,0]=3 1490 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [0,0,0,0,1,0|3,0,0]=4 1491 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [0,0,0,0,1,0|3,0,0]=4 1492 B13R1.654 CCCOCCO[C@H]1CCNC1=O 34a_100000688343_100011215938 [0,0,0,0,1,0|3,0,0]=4 1493 B13R1.654 CCCOCCSC1CCCC1=O 62a_100000211823_100011215938 [0,0,0,0,1,0|2,0,0]=3 1494 B13R1.654 CCCOCCSC1CCCC1=O 62a_100011215938_100000211823 [0,0,0,0,1,0|2,0,0]=3 1495 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [0,0,0,0,1,0|3,0,0]=4 1496 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [0,0,0,0,1,0|3,0,0]=4 1497 B13R1.654 CCCSCCNC1CCCC1=O 2230a_100020603323_100000211823 [0,0,0,0,1,0|2,0,0]=3 1498 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [0,0,0,0,1,0|3,0,0]=4 1499 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [0,0,0,0,1,0|2,0,0]=3 1500 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [0,0,0,0,1,0|2,0,0]=3 1501 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [0,0,0,0,1,0|3,0,0]=4 1502 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [0,0,0,0,1,0|3,0,0]=4 1503 B13R1.654 CCOCCCNC1CCCC1=O 2230a_100000210961_100000211823 [0,0,0,0,1,0|2,0,0]=3 1504 B13R1.654 CCOCCCNC1CCCC1=O 34a_100000210961_100000709159 [0,0,0,0,1,0|2,0,0]=3 1505 B13R1.654 CCOCCCNC1CCNC1=O 2230a_100016995588_100012232248 [0,0,0,0,1,0|3,0,0]=4 1506 B13R1.654 CCOCCCNC1CCNC1=O 34a_100016995588_100012232248 [0,0,0,0,1,0|3,0,0]=4 1507 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [0,0,0,0,1,0|3,0,0]=4 1508 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [0,0,0,0,1,0|3,0,0]=4 1509 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [0,0,0,0,1,0|2,0,0]=3 1510 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [0,0,0,0,1,0|2,0,0]=3 1511 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [0,0,0,0,1,0|2,0,0]=3 1512 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [0,0,0,0,1,0|3,0,0]=4 1513 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [0,0,0,0,1,0|3,0,0]=4 1514 B13R1.654 CCOCCCO[C@H]1CCNC1=O 34a_100000688343_100012232248 [0,0,0,0,1,0|3,0,0]=4 1515 B13R1.654 CCOCCCSC1CCCC1=O 62a_100000211823_100012232248 [0,0,0,0,1,0|2,0,0]=3 1516 B13R1.654 CCOCCCSC1CCCC1=O 62a_100012232248_100000211823 [0,0,0,0,1,0|2,0,0]=3 1517 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [0,0,0,0,1,0|3,0,0]=4 1518 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [0,0,0,0,1,0|3,0,0]=4 1519 B13R1.654 CCOCCOCC1CCNC1=O 34a_100000133458_100000210147 [0,0,0,0,1,0|3,0,0]=4 1520 B13R1.654 CCOCCSCN1CCCC1=O 62a_100000026320_100011215890 [0,0,0,0,1,0|3,0,0]=4 1521 B13R1.654 CCOCCSCN1CCCC1=O 62a_100000210147_100000026320 [0,0,0,0,1,0|3,0,0]=4 1522 B13R1.654 CCOCSCCN1CCCC1=O 62a_100000739059_100000739092 [0,0,0,0,1,0|3,0,0]=4 1523 B13R1.654 CCOCSCCN1CCCC1=O 62a_100000739092_100000739059 [0,0,0,0,1,0|3,0,0]=4 1524 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [0,0,0,0,1,0|2,0,0]=3 1525 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [0,0,0,0,1,0|2,0,0]=3 1526 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [0,0,0,0,1,0|3,0,0]=4 1527 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [0,0,0,0,1,0|3,0,0]=4 1528 B13R1.654 CCSCCOCC1CCNC1=O 34a_100000133458_100000757381 [0,0,0,0,1,0|3,0,0]=4 1529 B13R1.654 CCSCCSCN1CCCC1=O 62a_100000026320_100000757381 [0,0,0,0,1,0|3,0,0]=4 1530 B13R1.654 CCSCCSCN1CCCC1=O 62a_100000757381_100000026320 [0,0,0,0,1,0|3,0,0]=4 1531 B13R1.654 COCCCCNC1CCNC1=O 2230a_100016995588_100000730899 [0,0,0,0,1,0|3,0,0]=4 1532 B13R1.654 COCCCCNC1CCNC1=O 34a_100016995588_100000755781 [0,0,0,0,1,0|3,0,0]=4 1533 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [0,0,0,0,1,0|2,0,0]=3 1534 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [0,0,0,0,1,0|2,0,0]=3 1535 B13R1.654 COCCCCOC1CCOC1=O 34a_100000740925_100000211211 [0,0,0,0,1,0|3,0,0]=4 1536 B13R1.654 COCCCCO[C@H]1CCNC1=O 34a_100000688343_100000755781 [0,0,0,0,1,0|3,0,0]=4 1537 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [0,0,0,0,1,0|2,0,0]=3 1538 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [0,0,0,0,1,0|2,0,0]=3 1539 B13R1.654 COCCCCSC1CCOC1=O 62a_100000211211_100000730899 [0,0,0,0,1,0|3,0,0]=4 1540 B13R1.654 COCCCCSC1CCOC1=O 62a_100000730899_100000211211 [0,0,0,0,1,0|3,0,0]=4 1541 B13R1.654 COCCCOCC1CCNC1=O 34a_100000133458_100000740836 [0,0,0,0,1,0|3,0,0]=4 1542 B13R1.654 COCCCSCN1CCCC1=O 62a_100000026320_100000709357 [0,0,0,0,1,0|3,0,0]=4 1543 B13R1.654 COCCCSCN1CCCC1=O 62a_100000709357_100000026320 [0,0,0,0,1,0|3,0,0]=4 1544 B13R1.654 COCCNCCN1CCCC1=O 2230a_100000209980_100000739059 [0,0,0,0,1,0|3,0,0]=4 1545 B13R1.654 COCCNCCN1CCCC1=O 2230a_100011200922_100011201679 [0,0,0,0,1,0|3,0,0]=4 1546 B13R1.654 COCCOCCN1CCCC1=O 34a_100000210237_100000739059 [0,0,0,0,1,0|3,0,0]=4 1547 B13R1.654 COCCOCCN1CCCC1=O 34a_100000211209_100011201679 [0,0,0,0,1,0|3,0,0]=4 1548 B13R1.654 COCCOCCN1CCCC1=O 7a_100000211209_100000233755 [0,0,0,0,1,0|3,0,0]=4 1549 B13R1.654 COCCOCSC1CCCC1=O 62a_100000211823_100000231047 [0,0,0,0,1,0|3,0,0]=4 1550 B13R1.654 COCCOCSC1CCCC1=O 62a_100000231047_100000211823 [0,0,0,0,1,0|3,0,0]=4 1551 B13R1.654 COCCSCCN1CCCC1=O 62a_100000233755_100000739059 [0,0,0,0,1,0|3,0,0]=4 1552 B13R1.654 COCCSCCN1CCCC1=O 62a_100000739059_100000233755 [0,0,0,0,1,0|3,0,0]=4 1553 B13R1.654 COCNCCCN1CCCC1=O 2230a_100000210347_100000766300 [0,0,0,0,1,0|3,0,0]=4 1554 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [0,0,0,0,1,0|2,0,0]=3 1555 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [0,0,0,0,1,0|2,0,0]=3 1556 B13R1.654 CSCCCCOC1CCOC1=O 34a_100011217163_100000211211 [0,0,0,0,1,0|3,0,0]=4 1557 B13R1.654 CSCCCCOC1CCOC1=O 7a_100011217163_100000211211 [0,0,0,0,1,0|3,0,0]=4 1558 B13R1.654 CSCCNCCN1CCCC1=O 2230a_100011200922_100000751147 [0,0,0,0,1,0|3,0,0]=4 1559 B13R1.654 CSCCNCCN1CCCC1=O 2230a_100020590264_100000739059 [0,0,0,0,1,0|3,0,0]=4 1560 B13R1.654 CSCCOCCN1CCCC1=O 34a_100000211209_100000212216 [0,0,0,0,1,0|3,0,0]=4 1561 B13R1.654 CSCCOCCN1CCCC1=O 34a_100000230434_100000739059 [0,0,0,0,1,0|3,0,0]=4 1562 B13R1.654 CSCCOCCN1CCCC1=O 7a_100000211209_100000212216 [0,0,0,0,1,0|3,0,0]=4 1563 B13R1.654 CSCCOCCN1CCCC1=O 7a_100000230434_100000739059 [0,0,0,0,1,0|3,0,0]=4 1564 B13R1.654 CSCCSCCN1CCCC1=O 62a_100000212216_100000739059 [0,0,0,0,1,0|3,0,0]=4 1565 B13R1.654 CSCCSCCN1CCCC1=O 62a_100000739059_100000751147 [0,0,0,0,1,0|3,0,0]=4 1566 B13R1.654 CSCNCCCN1CCCC1=O 2230a_100000210347_100011218213 [0,0,0,0,1,0|3,0,0]=4 1567 B13R1.654 CSCNCCCN1CCCC1=O 34a_100000210347_100011218213 [0,0,0,0,1,0|3,0,0]=4 1568 B13R1.654 CSCOCCCN1CCCC1=O 34a_100011216539_100011218213 [0,0,0,0,1,0|3,0,0]=4 1569 B13R1.654 N#CCCCCSC1CCCC1=O 62a_100000211823_100000211819 [0,0,0,0,1,0|2,0,1]=4 1570 B13R1.654 N#CCCCCSC1CCCC1=O 62a_100011219923_100000211823 [0,0,0,0,1,0|2,0,1]=4 1571 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [0,0,0,0,1,0|2,0,0]=3 1572 B13R1.654 NCCCCCOC1CCOC1=O 34a_100000762737_100000211211 [0,0,0,0,1,0|3,0,0]=4 1573 B13R1.654 NCCCOCCN1CCCC1=O 34a_100000182051_100000739059 [0,0,0,0,1,0|3,0,0]=4 1574 B13R1.654 NCCOCCOC1CCCC1=O 34a_100000211614_100000709159 [0,0,0,0,1,0|3,0,0]=4 1575 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [0,0,0,0,1,0|2,0,0]=3 1576 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [0,0,0,0,1,0|2,0,0]=3 1577 B13R1.654 O=C1CCCC1NCCOCCO 2230a_100000211614_100000211823 [0,0,0,0,1,0|3,0,0]=4 1578 B13R1.654 O=C1CCCC1NCCOCCO 34a_100000211614_100000709159 [0,0,0,0,1,0|3,0,0]=4 1579 B13R1.654 O=C1CCCC1NCCSCCO 2230a_100011219999_100000211823 [0,0,0,0,1,0|3,0,0]=4 1580 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [0,0,0,0,1,0|2,0,0]=3 1581 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [0,0,0,0,1,0|2,0,0]=3 1582 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [0,0,0,0,1,0|2,0,0]=3 1583 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [0,0,0,0,1,0|2,0,0]=3 1584 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [0,0,0,0,1,0|2,0,0]=3 1585 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [0,0,0,0,1,0|2,0,0]=3 1586 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [0,0,0,0,1,0|2,0,0]=3 1587 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [0,0,0,0,1,0|2,0,0]=3 1588 B13R1.654 O=C1CCCC1OCCOCCBr 34a_100000692535_100000709159 [0,0,0,0,1,0|3,0,0]=4 1589 B13R1.654 O=C1CCCC1OCCOCCBr 7a_100000692535_100000211823 [0,0,0,0,1,0|3,0,0]=4 1590 B13R1.654 O=C1CCCC1OCCOCCCl 34a_100011215305_100000709159 [0,0,0,0,1,0|3,0,0]=4 1591 B13R1.654 O=C1CCCC1OCCOCCCl 7a_100011215305_100000211823 [0,0,0,0,1,0|3,0,0]=4 1592 B13R1.654 O=C1CCCC1OCCOCCF 34a_200015357709_100000709159 [0,0,0,0,1,0|3,0,0]=4 1593 B13R1.654 O=C1CCCC1OCCOCCF 7a_200015357709_100000211823 [0,0,0,0,1,0|3,0,0]=4 1594 B13R1.654 O=C1CCCC1OCCOCCI 34a_100012149058_100000709159 [0,0,0,0,1,0|3,0,0]=4 1595 B13R1.654 O=C1CCCC1OCCOCCI 7a_100012149058_100000211823 [0,0,0,0,1,0|3,0,0]=4 1596 B13R1.654 O=C1CCCC1OCCOCCO 34a_200000719330_100000692535 [0,0,0,0,1,0|3,0,0]=4 1597 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [0,0,0,0,1,0|2,0,0]=3 1598 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [0,0,0,0,1,0|2,0,0]=3 1599 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [0,0,0,0,1,0|2,0,0]=3 1600 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [0,0,0,0,1,0|2,0,0]=3 1601 B13R1.654 O=C1CCCC1SCCOCCO 62a_100000211823_100011215305 [0,0,0,0,1,0|3,0,0]=4 1602 B13R1.654 O=C1CCCC1SCCOCCO 62a_100011215305_100000211823 [0,0,0,0,1,0|3,0,0]=4 1603 B13R1.654 O=C1CCCN1CCCNCCF 2230a_100000210347_100011217306 [0,0,0,0,1,0|3,0,0]=4 1604 B13R1.654 O=C1CCCN1CCCNCCF 34a_100000210347_100011217306 [0,0,0,0,1,0|3,0,0]=4 1605 B13R1.654 O=C1CCCN1CCCNCCO 2230a_100000210347_100000211926 [0,0,0,0,1,0|3,0,0]=4 1606 B13R1.654 O=C1CCCN1CCCNCCO 34a_100000210347_100000211926 [0,0,0,0,1,0|3,0,0]=4 1607 B13R1.654 O=C1CCCN1CCCOCCF 34a_100011216539_100011217306 [0,0,0,0,1,0|3,0,0]=4 1608 B13R1.654 O=C1CCCN1CCCOCCF 7a_100011216539_100011217306 [0,0,0,0,1,0|3,0,0]=4 1609 B13R1.654 O=C1CCCN1CCCOCCO 34a_100011216539_100000211926 [0,0,0,0,1,0|3,0,0]=4 1610 B13R1.654 O=C1CCCN1CCCOCCO 7a_100011216539_100000211926 [0,0,0,0,1,0|3,0,0]=4 1611 B13R1.654 O=C1CCCN1CCNCCCF 2230a_100011200922_100011934791 [0,0,0,0,1,0|3,0,0]=4 1612 B13R1.654 O=C1CCCN1CCNCCCF 2230a_100015189416_100000739059 [0,0,0,0,1,0|3,0,0]=4 1613 B13R1.654 O=C1CCCN1CCNCCCF 34a_100015189416_100000739059 [0,0,0,0,1,0|3,0,0]=4 1614 B13R1.654 O=C1CCCN1CCNCCCO 2230a_100011200922_100000230001 [0,0,0,0,1,0|3,0,0]=4 1615 B13R1.654 O=C1CCCN1CCOCCCBr 34a_100011217188_100000739059 [0,0,0,0,1,0|3,0,0]=4 1616 B13R1.654 O=C1CCCN1CCOCCCCl 34a_100000230001_100000739059 [0,0,0,0,1,0|3,0,0]=4 1617 B13R1.654 O=C1CCCN1CCOCCCF 34a_100000211209_100011934791 [0,0,0,0,1,0|3,0,0]=4 1618 B13R1.654 O=C1CCCN1CCOCCCF 34a_100000759539_100000739059 [0,0,0,0,1,0|3,0,0]=4 1619 B13R1.654 O=C1CCCN1CCOCCCF 7a_100000211209_100011934791 [0,0,0,0,1,0|3,0,0]=4 1620 B13R1.654 O=C1CCCN1CCOCCCO 34a_100000211209_100000230001 [0,0,0,0,1,0|3,0,0]=4 1621 B13R1.654 O=C1CCCN1CCOCCCO 7a_100000211209_100011215043 [0,0,0,0,1,0|3,0,0]=4 1622 B13R1.654 O=C1CCCN1CCSCCCF 62a_100000739059_100011934791 [0,0,0,0,1,0|3,0,0]=4 1623 B13R1.654 O=C1CCCN1CCSCCCF 62a_100011934791_100000739059 [0,0,0,0,1,0|3,0,0]=4 1624 B13R1.654 O=C1CCCN1CCSCCCO 62a_100000739059_100011215043 [0,0,0,0,1,0|3,0,0]=4 1625 B13R1.654 O=C1CCCN1CCSCCCO 62a_100011215043_100000739059 [0,0,0,0,1,0|3,0,0]=4 1626 B13R1.654 O=C1CCCN1CSCCCCF 62a_100000026320_100000729493 [0,0,0,0,1,0|3,0,0]=4 1627 B13R1.654 O=C1CCCN1CSCCCCF 62a_100000729493_100000026320 [0,0,0,0,1,0|3,0,0]=4 1628 B13R1.654 O=C1CCCN1CSCCCCO 62a_100000026320_100000210776 [0,0,0,0,1,0|3,0,0]=4 1629 B13R1.654 O=C1CCCN1CSCCCCO 62a_100000210776_100000026320 [0,0,0,0,1,0|3,0,0]=4 1630 B13R1.654 O=C1NCCC1COCCCCF 34a_100000133458_100000729493 [0,0,0,0,1,0|3,0,0]=4 1631 B13R1.654 O=C1NCCC1COCCCCO 34a_100000133458_100011216708 [0,0,0,0,1,0|3,0,0]=4 1632 B13R1.654 O=C1NCCC1NCCCCCF 2230a_100016995588_100000729378 [0,0,0,0,1,0|3,0,0]=4 1633 B13R1.654 O=C1NCCC1NCCCCCF 34a_100016995588_100000729378 [0,0,0,0,1,0|3,0,0]=4 1634 B13R1.654 O=C1NCCC1NCCCCCO 2230a_100016995588_100000746330 [0,0,0,0,1,0|3,0,0]=4 1635 B13R1.654 O=C1NCCC1NCCCCCO 34a_100016995588_100000746330 [0,0,0,0,1,0|3,0,0]=4 1636 B13R1.654 O=C1NCC[C@@H]1OCCCCCF 34a_100000688343_100000729378 [0,0,0,0,1,0|3,0,0]=4 1637 B13R1.654 O=C1NCC[C@@H]1OCCCCCO 34a_100000688343_100000746330 [0,0,0,0,1,0|3,0,0]=4 1638 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [0,0,0,0,1,0|3,0,0]=4 1639 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [0,0,0,0,1,0|3,0,0]=4 1640 B13R1.654 O=C1OCCC1OCCCCCBr 34a_100000746331_100000211211 [0,0,0,0,1,0|3,0,0]=4 1641 B13R1.654 O=C1OCCC1OCCCCCBr 7a_100000746331_100000211211 [0,0,0,0,1,0|3,0,0]=4 1642 B13R1.654 O=C1OCCC1OCCCCCCl 34a_100000746330_100000211211 [0,0,0,0,1,0|3,0,0]=4 1643 B13R1.654 O=C1OCCC1OCCCCCCl 7a_100000746330_100000211211 [0,0,0,0,1,0|3,0,0]=4 1644 B13R1.654 O=C1OCCC1OCCCCCI 34a_200012148887_100000211211 [0,0,0,0,1,0|3,0,0]=4 1645 B13R1.654 O=C1OCCC1OCCCCCI 7a_200012148887_100000211211 [0,0,0,0,1,0|3,0,0]=4 1646 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000211211_100000729378 [0,0,0,0,1,0|3,0,0]=4 1647 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000729378_100000211211 [0,0,0,0,1,0|3,0,0]=4 1648 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [0,0,0,0,1,0|3,0,0]=4 1649 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [0,0,0,0,1,0|3,0,0]=4 1650 B13R1.654 O=CCCCCSC1CCCC1=O 62a_100000139335_100000211823 [0,0,0,0,1,0|2,0,1]=4 1651 B13R1.654 O=CCCCCSC1CCCC1=O 62a_100000211823_100000139335 [0,0,0,0,1,0|2,0,1]=4 1652 B15R1.1949 CCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210681 [0,0,0,0,0,1|2,0,0]=3 1653 B15R1.1949 CCCCOCCN1CCCNC(=O)C1 2230a_100015190381_100000743108 [0,0,0,0,0,1|3,0,0]=4 1654 B15R1.1949 O=C1CN(CCCN1)CCCCCCF 2230a_100015190381_100015922095 [0,0,0,0,0,1|3,0,0]=4 1655 B15R1.1949 O=C1CN(CCCN1)CCCCCCO 2230a_100015190381_100000766143 [0,0,0,0,0,1|3,0,0]=4 1656 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210681 [0,0,0,0,0,1|3,0,0]=4 1657 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210681 [0,0,0,0,0,1|3,0,0]=4 1658 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [1,0,1,0,0,0|0,0,2]=4 1659 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [1,0,1,0,0,0|0,0,2]=4 1660 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [1,0,1,0,0,0|0,0,2]=4 1661 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [1,0,1,0,0,0|0,0,2]=4 1662 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [1,0,1,0,0,0|0,0,2]=4 1663 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [1,0,1,0,0,0|0,0,2]=4 1664 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [1,0,1,0,0,0|0,0,2]=4 1665 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [1,0,1,0,0,0|0,0,2]=4 1666 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [1,0,1,0,0,0|0,0,2]=4 1667 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [1,0,1,0,0,0|0,0,2]=4 1668 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [1,0,1,0,0,0|1,0,1]=4 1669 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [1,0,1,0,0,0|1,0,0]=3 1670 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [1,0,1,0,0,0|1,0,0]=3 1671 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [1,0,1,0,0,0|1,0,0]=3 1672 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [1,0,1,0,0,0|2,0,0]=4 1673 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [1,0,1,0,0,0|2,0,0]=4 1674 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [1,0,1,0,0,0|2,0,0]=4 1675 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [1,0,1,0,0,0|2,0,0]=4 1676 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [1,0,1,0,0,0|2,0,0]=4 1677 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [1,0,1,0,0,0|2,0,0]=4 1678 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [1,0,1,0,0,0|2,0,0]=4 1679 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [1,0,1,0,0,0|2,0,0]=4 1680 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [1,0,1,0,0,0|2,0,0]=4 1681 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [1,0,1,0,0,0|2,0,0]=4 1682 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [1,0,1,0,0,0|2,0,0]=4 1683 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [1,0,1,0,0,0|2,0,0]=4 1684 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [1,0,1,0,0,0|2,0,0]=4 1685 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [1,0,1,0,0,0|2,0,0]=4 1686 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [1,0,1,0,0,0|2,0,0]=4 1687 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [1,0,1,0,0,0|2,0,0]=4 1688 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [1,0,1,0,0,0|2,0,0]=4 1689 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [1,0,1,0,0,0|2,0,0]=4 1690 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [1,0,1,0,0,0|2,0,0]=4 1691 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [1,0,1,0,0,0|2,0,0]=4 1692 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [1,0,1,0,0,0|2,0,0]=4 1693 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [1,0,1,0,0,0|2,0,0]=4 1694 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [1,0,1,0,0,0|2,0,0]=4 1695 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [1,0,1,0,0,0|2,0,0]=4 1696 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [1,0,1,0,0,0|2,0,0]=4 1697 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [1,0,1,0,0,0|2,0,0]=4 1698 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [1,0,1,0,0,0|2,0,0]=4 1699 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [1,0,1,0,0,0|2,0,0]=4 1700 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [1,0,1,0,0,0|2,0,0]=4 1701 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [1,0,1,0,0,0|2,0,0]=4 1702 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [1,0,1,0,0,0|2,0,0]=4 1703 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [1,0,1,0,0,0|2,0,0]=4 1704 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [1,0,1,0,0,0|2,0,0]=4 1705 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [1,0,1,0,0,0|2,0,0]=4 1706 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [1,0,1,0,0,0|2,0,0]=4 1707 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [1,0,1,0,0,0|2,0,0]=4 1708 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [1,0,1,0,0,0|2,0,0]=4 1709 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [1,0,1,0,0,0|2,0,0]=4 1710 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [1,0,1,0,0,0|2,0,0]=4 1711 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [1,0,1,0,0,0|2,0,0]=4 1712 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [1,0,1,0,0,0|2,0,0]=4 1713 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [1,0,1,0,0,0|2,0,0]=4 1714 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [1,0,1,0,0,0|2,0,0]=4 1715 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [1,0,1,0,0,0|2,0,0]=4 1716 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [1,0,1,0,0,0|2,0,0]=4 1717 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [1,0,1,0,0,0|2,0,0]=4 1718 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [1,0,1,0,0,0|0,0,2]=4 1719 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [1,0,1,0,0,0|0,0,2]=4 1720 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [1,0,1,0,0,0|0,0,2]=4 1721 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [1,0,1,0,0,0|1,0,1]=4 1722 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [1,0,1,0,0,0|1,0,1]=4 1723 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [1,0,1,0,0,0|0,0,0]=2 1724 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [1,0,1,0,0,0|0,0,0]=2 1725 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [1,0,1,0,0,0|1,0,0]=3 1726 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [1,0,1,0,0,0|1,0,0]=3 1727 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [1,0,1,0,0,0|1,0,0]=3 1728 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [1,0,1,0,0,0|1,0,0]=3 1729 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [1,0,1,0,0,0|1,0,0]=3 1730 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [1,0,1,0,0,0|1,0,0]=3 1731 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [1,0,1,0,0,0|1,0,0]=3 1732 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [1,0,1,0,0,0|1,0,0]=3 1733 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [1,0,1,0,0,0|2,0,0]=4 1734 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [1,0,1,0,0,0|2,0,0]=4 1735 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [1,0,1,0,0,0|2,0,0]=4 1736 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [1,0,1,0,0,0|2,0,0]=4 1737 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [1,0,1,0,0,0|2,0,0]=4 1738 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [1,0,1,0,0,0|1,0,0]=3 1739 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [1,0,1,0,0,0|1,0,0]=3 1740 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [1,0,1,0,0,0|1,0,0]=3 1741 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [1,0,1,0,0,0|1,0,0]=3 1742 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [1,0,1,0,0,0|2,0,0]=4 1743 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [1,0,1,0,0,0|2,0,0]=4 1744 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [1,0,1,0,0,0|2,0,0]=4 1745 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [1,0,1,0,0,0|2,0,0]=4 1746 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [1,0,1,0,0,0|2,0,0]=4 1747 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [1,0,1,0,0,0|2,0,0]=4 1748 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [1,0,1,0,0,0|2,0,0]=4 1749 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [1,0,1,0,0,0|2,0,0]=4 1750 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [1,0,1,0,0,0|2,0,0]=4 1751 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [1,0,1,0,0,0|2,0,0]=4 1752 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [1,0,1,0,0,0|2,0,0]=4 1753 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [1,0,1,0,0,0|2,0,0]=4 1754 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [1,0,1,0,0,0|2,0,0]=4 1755 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [1,0,1,0,0,0|2,0,0]=4 1756 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [1,0,1,0,0,0|2,0,0]=4 1757 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [1,0,1,0,0,0|1,0,1]=4 1758 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [1,0,1,0,0,0|1,0,1]=4 1759 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [1,0,1,0,0,0|1,0,1]=4 1760 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [1,0,1,0,0,0|1,0,1]=4 1761 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [1,0,1,0,0,0|1,0,0]=3 1762 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [1,0,1,0,0,0|2,0,0]=4 1763 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [1,0,1,0,0,0|2,0,0]=4 1764 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [1,0,1,0,0,0|2,0,0]=4 1765 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [1,0,1,0,0,0|1,0,0]=3 1766 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [1,0,1,0,0,0|2,0,0]=4 1767 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [1,0,1,0,0,0|2,0,0]=4 1768 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [1,0,1,0,0,0|2,0,0]=4 1769 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [1,0,1,0,0,0|2,0,0]=4 1770 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [1,0,1,0,0,0|1,0,0]=3 1771 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [1,0,1,0,0,0|1,0,0]=3 1772 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [1,0,1,0,0,0|2,0,0]=4 1773 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [1,0,1,0,0,0|2,0,0]=4 1774 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [1,0,1,0,0,0|2,0,0]=4 1775 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [1,0,1,0,0,0|2,0,0]=4 1776 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [1,0,1,0,0,0|2,0,0]=4 1777 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [1,0,1,0,0,0|2,0,0]=4 1778 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [1,0,1,0,0,0|2,0,0]=4 1779 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [1,0,1,0,0,0|1,0,0]=3 1780 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [1,0,1,0,0,0|2,0,0]=4 1781 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [1,0,1,0,0,0|2,0,0]=4 1782 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [1,0,1,0,0,0|2,0,0]=4 1783 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [1,0,1,0,0,0|1,0,0]=3 1784 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [1,0,1,0,0,0|2,0,0]=4 1785 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [1,0,1,0,0,0|2,0,0]=4 1786 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [1,0,1,0,0,0|2,0,0]=4 1787 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [1,0,1,0,0,0|2,0,0]=4 1788 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [1,0,1,0,0,0|1,0,0]=3 1789 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [1,0,1,0,0,0|2,0,0]=4 1790 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [1,0,1,0,0,0|2,0,0]=4 1791 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [1,0,1,0,0,0|2,0,0]=4 1792 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [1,0,1,0,0,0|2,0,0]=4 1793 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [1,0,1,0,0,0|2,0,0]=4 1794 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [1,0,1,0,0,0|2,0,0]=4 1795 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [1,0,1,0,0,0|2,0,0]=4 1796 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [1,0,1,0,0,0|2,0,0]=4 1797 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [1,0,1,0,0,0|2,0,0]=4 1798 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [1,0,1,0,0,0|2,0,0]=4 1799 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [1,0,1,0,0,0|2,0,0]=4 1800 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [1,0,1,0,0,0|2,0,0]=4 1801 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [1,0,1,0,0,0|2,0,0]=4 1802 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [1,0,1,0,0,0|2,0,0]=4 1803 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [1,0,1,0,0,0|2,0,0]=4 1804 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [1,0,1,0,0,0|2,0,0]=4 1805 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [1,0,1,0,0,0|2,0,0]=4 1806 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [1,0,1,0,0,0|2,0,0]=4 1807 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [1,0,1,0,0,0|2,0,0]=4 1808 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [1,0,1,0,0,0|2,0,0]=4 1809 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [1,0,1,0,0,0|2,0,0]=4 1810 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [1,0,1,0,0,0|2,0,0]=4 1811 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [1,0,1,0,0,0|2,0,0]=4 1812 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [1,0,1,0,0,0|2,0,0]=4 1813 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [1,0,1,0,0,0|2,0,0]=4 1814 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [1,0,1,0,0,0|2,0,0]=4 1815 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [1,0,1,0,0,0|2,0,0]=4 1816 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [1,0,1,0,0,0|2,0,0]=4 1817 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [1,0,1,0,0,0|2,0,0]=4 1818 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [1,0,1,0,0,0|2,0,0]=4 1819 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [1,0,1,0,0,0|2,0,0]=4 1820 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [1,0,1,0,0,0|2,0,0]=4 1821 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [1,0,1,0,0,0|2,0,0]=4 1822 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [1,0,1,0,0,0|2,0,0]=4 1823 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [1,0,1,0,0,0|2,0,0]=4 1824 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [1,0,1,0,0,0|2,0,0]=4 1825 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [1,0,1,0,0,0|2,0,0]=4 1826 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [1,0,1,0,0,0|2,0,0]=4 1827 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [1,0,1,0,0,0|2,0,0]=4 1828 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [1,0,1,0,0,0|2,0,0]=4 1829 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [1,0,1,0,0,0|2,0,0]=4 1830 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [1,0,1,0,0,0|2,0,0]=4 1831 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [1,0,1,0,0,0|2,0,0]=4 1832 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [1,0,1,0,0,0|2,0,0]=4 1833 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [1,0,1,0,0,0|2,0,0]=4 1834 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [1,0,1,0,0,0|2,0,0]=4 1835 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [1,0,1,0,0,0|2,0,0]=4 1836 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [1,0,1,0,0,0|2,0,0]=4 1837 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [1,0,1,0,0,0|2,0,0]=4 1838 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [1,0,1,0,0,0|2,0,0]=4 1839 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [1,0,1,0,0,0|2,0,0]=4 1840 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [1,0,1,0,0,0|2,0,0]=4 1841 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [1,0,1,0,0,0|2,0,0]=4 1842 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [1,0,1,0,0,0|2,0,0]=4 1843 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [1,0,1,0,0,0|2,0,0]=4 1844 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [1,0,1,0,0,0|2,0,0]=4 1845 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [1,0,1,0,0,0|2,0,0]=4 1846 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [1,0,1,0,0,0|2,0,0]=4 1847 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [1,0,1,0,0,0|2,0,0]=4 1848 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [1,0,1,0,0,0|2,0,0]=4 1849 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [1,0,1,0,0,0|2,0,0]=4 1850 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [1,0,1,0,0,0|2,0,0]=4 1851 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [1,0,1,0,0,0|2,0,0]=4 1852 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [1,0,1,0,0,0|2,0,0]=4 1853 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [1,0,1,0,0,0|2,0,0]=4 1854 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [1,0,1,0,0,0|2,0,0]=4 1855 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [1,0,1,0,0,0|2,0,0]=4 1856 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [1,0,1,0,0,0|2,0,0]=4 1857 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [1,0,1,0,0,0|2,0,0]=4 1858 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [1,0,1,0,0,0|2,0,0]=4 1859 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [1,0,1,0,0,0|2,0,0]=4 1860 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [1,0,1,0,0,0|2,0,0]=4 1861 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [1,0,1,0,0,0|2,0,0]=4 1862 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [1,0,1,0,0,0|2,0,0]=4 1863 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [1,0,1,0,0,0|2,0,0]=4 1864 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [1,0,1,0,0,0|2,0,0]=4 1865 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [1,0,1,0,0,0|2,0,0]=4 1866 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [1,0,1,0,0,0|2,0,0]=4 1867 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [1,0,1,0,0,0|2,0,0]=4 1868 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [1,0,1,0,0,0|2,0,0]=4 1869 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [1,0,1,0,0,0|2,0,0]=4 1870 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [1,0,1,0,0,0|2,0,0]=4 1871 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [1,0,1,0,0,0|2,0,0]=4 1872 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [1,0,1,0,0,0|2,0,0]=4 1873 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [1,0,1,0,0,0|2,0,0]=4 1874 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [1,0,1,0,0,0|2,0,0]=4 1875 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [1,0,1,0,0,0|2,0,0]=4 1876 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [1,0,1,0,0,0|2,0,0]=4 1877 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [1,0,1,0,0,0|2,0,0]=4 1878 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [1,0,1,0,0,0|2,0,0]=4 1879 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [1,0,1,0,0,0|2,0,0]=4 1880 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [1,0,1,0,0,0|2,0,0]=4 1881 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [1,0,1,0,0,0|2,0,0]=4 1882 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [1,0,1,0,0,0|2,0,0]=4 1883 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [1,0,1,0,0,0|2,0,0]=4 1884 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [1,0,1,0,0,0|2,0,0]=4 1885 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [1,0,1,0,0,0|2,0,0]=4 1886 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [1,0,1,0,0,0|2,0,0]=4 1887 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [1,0,1,0,0,0|2,0,0]=4 1888 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [1,0,1,0,0,0|2,0,0]=4 1889 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [1,0,1,0,0,0|2,0,0]=4 1890 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [1,0,1,0,0,0|2,0,0]=4 1891 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [1,0,1,0,0,0|2,0,0]=4 1892 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [1,0,1,0,0,0|2,0,0]=4 1893 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [1,0,1,0,0,0|2,0,0]=4 1894 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [1,0,1,0,0,0|2,0,0]=4 1895 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [1,0,1,0,0,0|2,0,0]=4 1896 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [1,0,1,0,0,0|2,0,0]=4 1897 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [1,0,1,0,0,0|2,0,0]=4 1898 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [1,0,1,0,0,0|2,0,0]=4 1899 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [1,0,1,0,0,0|2,0,0]=4 1900 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [1,0,1,0,0,0|2,0,0]=4 1901 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [1,0,1,0,0,0|2,0,0]=4 1902 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [1,0,1,0,0,0|2,0,0]=4 1903 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [1,0,1,0,0,0|2,0,0]=4 1904 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [1,0,1,0,0,0|2,0,0]=4 1905 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [1,0,1,0,0,0|2,0,0]=4 1906 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [1,0,1,0,0,0|2,0,0]=4 1907 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [1,0,1,0,0,0|2,0,0]=4 1908 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [1,0,1,0,0,0|2,0,0]=4 1909 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [1,0,1,0,0,0|2,0,0]=4 1910 B12R0.5 CCC/C=C/COCCCCCC 34a_100016278788_100000210314 [1,0,1,0,0,0|2,0,0]=4 1911 B12R0.5 CCC/C=C/COCCCCCC 7a_100016278788_100000210314 [1,0,1,0,0,0|2,0,0]=4 1912 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [1,0,1,0,0,0|2,0,0]=4 1913 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [1,0,1,0,0,0|2,0,0]=4 1914 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [1,0,1,0,0,0|2,0,0]=4 1915 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [1,0,1,0,0,0|2,0,0]=4 1916 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [1,0,1,0,0,0|2,0,0]=4 1917 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [1,0,1,0,0,0|2,0,0]=4 1918 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [1,0,1,0,0,0|2,0,0]=4 1919 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [1,0,1,0,0,0|2,0,0]=4 1920 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [1,0,1,0,0,0|2,0,0]=4 1921 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [1,0,1,0,0,0|2,0,0]=4 1922 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [1,0,1,0,0,0|2,0,0]=4 1923 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [1,0,1,0,0,0|2,0,0]=4 1924 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [1,0,1,0,0,0|2,0,0]=4 1925 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [1,0,1,0,0,0|2,0,0]=4 1926 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [1,0,1,0,0,0|2,0,0]=4 1927 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [1,0,1,0,0,0|2,0,0]=4 1928 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [1,0,1,0,0,0|2,0,0]=4 1929 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [1,0,1,0,0,0|2,0,0]=4 1930 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [1,0,1,0,0,0|1,0,0]=3 1931 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [1,0,1,0,0,0|1,0,0]=3 1932 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [1,0,1,0,0,0|2,0,0]=4 1933 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [1,0,1,0,0,0|2,0,0]=4 1934 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [1,0,1,0,0,0|1,0,1]=4 1935 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [1,0,1,0,0,0|1,0,1]=4 1936 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [1,0,1,0,0,0|1,0,1]=4 1937 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [1,0,1,0,0,0|1,0,1]=4 1938 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [1,0,1,0,0,0|1,0,0]=3 1939 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [1,0,1,0,0,0|1,0,0]=3 1940 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [1,0,1,0,0,0|2,0,0]=4 1941 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [1,0,1,0,0,0|2,0,0]=4 1942 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [1,0,1,0,0,0|2,0,0]=4 1943 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [1,0,1,0,0,0|1,0,1]=4 1944 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [1,0,1,0,0,0|1,0,1]=4 1945 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [1,0,1,0,0,0|1,0,0]=3 1946 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [1,0,1,0,0,0|2,0,0]=4 1947 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [1,0,1,0,0,0|1,0,1]=4 1948 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [1,0,1,0,0,0|1,0,1]=4 1949 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [1,0,1,0,0,0|1,0,1]=4 1950 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [1,0,1,0,0,0|1,0,1]=4 1951 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [1,0,1,0,0,0|1,0,1]=4 1952 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [1,0,1,0,0,0|1,0,1]=4 1953 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [1,0,1,0,0,0|1,0,1]=4 1954 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [1,0,1,0,0,0|1,0,1]=4 1955 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [1,0,1,0,0,0|0,0,1]=3 1956 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [1,0,1,0,0,0|0,0,1]=3 1957 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [1,0,1,0,0,0|0,0,1]=3 1958 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [1,0,1,0,0,0|0,0,1]=3 1959 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [1,0,1,0,0,0|1,0,1]=4 1960 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [1,0,1,0,0,0|1,0,1]=4 1961 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [1,0,1,0,0,0|1,0,1]=4 1962 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [1,0,1,0,0,0|1,0,1]=4 1963 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [1,0,1,0,0,0|1,0,1]=4 1964 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [1,0,1,0,0,0|1,0,1]=4 1965 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [1,0,1,0,0,0|1,0,1]=4 1966 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [1,0,1,0,0,0|1,0,1]=4 1967 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [1,0,1,0,0,0|1,0,1]=4 1968 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [1,0,1,0,0,0|1,0,1]=4 1969 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [1,0,1,0,0,0|1,0,1]=4 1970 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [1,0,1,0,0,0|1,0,1]=4 1971 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [1,0,1,0,0,0|1,0,1]=4 1972 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [1,0,1,0,0,0|1,0,1]=4 1973 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [1,0,1,0,0,0|0,1,1]=4 1974 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [1,0,1,0,0,0|0,1,1]=4 1975 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [1,0,1,0,0,0|1,0,1]=4 1976 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [1,0,1,0,0,0|1,0,1]=4 1977 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [1,0,1,0,0,0|1,0,0]=3 1978 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [1,0,1,0,0,0|1,0,1]=4 1979 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [1,0,1,0,0,0|1,0,1]=4 1980 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [1,0,1,0,0,0|1,0,1]=4 1981 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [1,0,1,0,0,0|1,0,0]=3 1982 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [1,0,1,0,0,0|1,0,1]=4 1983 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [1,0,1,0,0,0|1,0,1]=4 1984 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [1,0,1,0,0,0|1,0,0]=3 1985 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [1,0,1,0,0,0|1,0,0]=3 1986 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [1,0,1,0,0,0|1,0,1]=4 1987 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [1,0,1,0,0,0|1,0,1]=4 1988 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [1,0,1,0,0,0|1,0,0]=3 1989 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [1,0,1,0,0,0|1,0,1]=4 1990 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [1,0,1,0,0,0|1,0,1]=4 1991 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [1,0,1,0,0,0|1,0,1]=4 1992 B12R0.5 CCCCCCNCOCCCC 2230a_100000210581_100011995733 [1,0,1,0,0,0|1,0,1]=4 1993 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [1,0,1,0,0,0|1,0,0]=3 1994 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [1,0,1,0,0,0|1,0,1]=4 1995 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [1,0,1,0,0,0|1,0,1]=4 1996 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [1,0,1,0,0,0|2,0,0]=4 1997 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [1,0,1,0,0,0|2,0,0]=4 1998 B12R0.5 CCCCCCOCOCCCC 34a_100000210259_100011995733 [1,0,1,0,0,0|1,0,1]=4 1999 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [1,0,1,0,0,0|1,0,0]=3 2000 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [1,0,1,0,0,0|1,0,0]=3 2001 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [1,0,1,0,0,0|1,0,1]=4 2002 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [1,0,1,0,0,0|1,0,1]=4 2003 B12R0.5 CCCCCCSCOCCCC 62a_100000210314_100011995733 [1,0,1,0,0,0|1,0,1]=4 2004 B12R0.5 CCCCCCSCOCCCC 62a_100011995733_100000210757 [1,0,1,0,0,0|1,0,1]=4 2005 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [1,0,1,0,0,0|1,0,0]=3 2006 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [1,0,1,0,0,0|1,0,1]=4 2007 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [1,0,1,0,0,0|1,0,1]=4 2008 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [1,0,1,0,0,0|1,0,1]=4 2009 B12R0.5 CCCCCNCCOCCCC 2230a_100000209983_100000743108 [1,0,1,0,0,0|1,0,1]=4 2010 B12R0.5 CCCCCNCCOCCCC 34a_100000224656_100000210210 [1,0,1,0,0,0|1,0,1]=4 2011 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [1,0,1,0,0,0|1,0,0]=3 2012 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [1,0,1,0,0,0|1,0,1]=4 2013 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [1,0,1,0,0,0|1,0,1]=4 2014 B12R0.5 CCCCCOCCOCCCC 34a_100000210238_100000718602 [1,0,1,0,0,0|1,0,1]=4 2015 B12R0.5 CCCCCOCCOCCCC 34a_100000210253_100000743108 [1,0,1,0,0,0|1,0,1]=4 2016 B12R0.5 CCCCCOCCOCCCC 34a_100011215259_100000210210 [1,0,1,0,0,0|1,0,1]=4 2017 B12R0.5 CCCCCOCCOCCCC 7a_100000210238_100000210326 [1,0,1,0,0,0|1,0,1]=4 2018 B12R0.5 CCCCCOCCOCCCC 7a_100000210253_100000743108 [1,0,1,0,0,0|1,0,1]=4 2019 B12R0.5 CCCCCOCCOCCCC 7a_100011215259_100000210211 [1,0,1,0,0,0|1,0,1]=4 2020 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [1,0,1,0,0,0|1,0,0]=3 2021 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [1,0,1,0,0,0|1,0,0]=3 2022 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [1,0,1,0,0,0|1,0,1]=4 2023 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [1,0,1,0,0,0|1,0,1]=4 2024 B12R0.5 CCCCCSCCOCCCC 62a_100000210326_100000743108 [1,0,1,0,0,0|1,0,1]=4 2025 B12R0.5 CCCCCSCCOCCCC 62a_100000743108_100000210326 [1,0,1,0,0,0|1,0,1]=4 2026 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [1,0,1,0,0,0|1,0,1]=4 2027 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [1,0,1,0,0,0|1,0,1]=4 2028 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [1,0,1,0,0,0|1,0,1]=4 2029 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [1,0,1,0,0,0|1,0,1]=4 2030 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [1,0,1,0,0,0|2,0,0]=4 2031 B12R0.5 CCCCNCCCOCCCC 2230a_200000211371_100000210211 [1,0,1,0,0,0|1,0,1]=4 2032 B12R0.5 CCCCNCCCOCCCC 34a_200000211371_100000210210 [1,0,1,0,0,0|1,0,1]=4 2033 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [1,0,1,0,0,0|1,0,1]=4 2034 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [1,0,1,0,0,0|1,0,1]=4 2035 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [1,0,1,0,0,0|1,0,1]=4 2036 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [1,0,1,0,0,0|1,0,1]=4 2037 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [1,0,1,0,0,0|1,0,1]=4 2038 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [1,0,1,0,0,0|1,0,1]=4 2039 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [1,0,1,0,0,0|1,0,1]=4 2040 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [1,0,1,0,0,0|1,0,1]=4 2041 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [1,0,1,0,0,0|1,0,1]=4 2042 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [1,0,1,0,0,0|2,0,0]=4 2043 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [1,0,1,0,0,0|2,0,0]=4 2044 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [1,0,1,0,0,0|1,0,1]=4 2045 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [1,0,1,0,0,0|1,0,1]=4 2046 B12R0.5 CCCCOCCCOCCCC 34a_200011215613_100000210210 [1,0,1,0,0,0|1,0,1]=4 2047 B12R0.5 CCCCOCCCOCCCC 7a_200011215613_100000210211 [1,0,1,0,0,0|1,0,1]=4 2048 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [1,0,1,0,0,0|2,0,0]=4 2049 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [1,0,1,0,0,0|2,0,0]=4 2050 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [1,0,1,0,0,0|2,0,0]=4 2051 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [1,0,1,0,0,0|2,0,0]=4 2052 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [1,0,1,0,0,0|2,0,0]=4 2053 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [1,0,1,0,0,0|1,0,1]=4 2054 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [1,0,1,0,0,0|1,0,1]=4 2055 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [1,0,1,0,0,0|2,0,0]=4 2056 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [1,0,1,0,0,0|2,0,0]=4 2057 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [1,0,1,0,0,0|1,0,1]=4 2058 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [1,0,1,0,0,0|1,0,1]=4 2059 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [1,0,1,0,0,0|1,0,1]=4 2060 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [1,0,1,0,0,0|2,0,0]=4 2061 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [1,0,1,0,0,0|2,0,0]=4 2062 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [1,0,1,0,0,0|2,0,0]=4 2063 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [1,0,1,0,0,0|2,0,0]=4 2064 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [1,0,1,0,0,0|2,0,0]=4 2065 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [1,0,1,0,0,0|1,0,1]=4 2066 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [1,0,1,0,0,0|1,0,1]=4 2067 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [1,0,1,0,0,0|2,0,0]=4 2068 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [1,0,1,0,0,0|2,0,0]=4 2069 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [1,0,1,0,0,0|1,0,1]=4 2070 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [1,0,1,0,0,0|1,0,1]=4 2071 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [1,0,1,0,0,0|1,0,1]=4 2072 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [1,0,1,0,0,0|1,0,1]=4 2073 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [1,0,1,0,0,0|2,0,0]=4 2074 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [1,0,1,0,0,0|2,0,0]=4 2075 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [1,0,1,0,0,0|2,0,0]=4 2076 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [1,0,1,0,0,0|2,0,0]=4 2077 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [1,0,1,0,0,0|2,0,0]=4 2078 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [1,0,1,0,0,0|2,0,0]=4 2079 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [1,0,1,0,0,0|2,0,0]=4 2080 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [1,0,1,0,0,0|2,0,0]=4 2081 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [1,0,1,0,0,0|1,0,1]=4 2082 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [1,0,1,0,0,0|1,0,1]=4 2083 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [1,0,1,0,0,0|2,0,0]=4 2084 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [1,0,1,0,0,0|2,0,0]=4 2085 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [1,0,1,0,0,0|2,0,0]=4 2086 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [1,0,1,0,0,0|2,0,0]=4 2087 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [1,0,1,0,0,0|2,0,0]=4 2088 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [1,0,1,0,0,0|1,0,1]=4 2089 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [1,0,1,0,0,0|1,0,1]=4 2090 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [1,0,1,0,0,0|1,0,1]=4 2091 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [1,0,1,0,0,0|1,0,1]=4 2092 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [1,0,1,0,0,0|1,0,1]=4 2093 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [1,0,1,0,0,0|1,0,1]=4 2094 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [1,0,1,0,0,0|2,0,0]=4 2095 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [1,0,1,0,0,0|2,0,0]=4 2096 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [1,0,1,0,0,0|2,0,0]=4 2097 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [1,0,1,0,0,0|2,0,0]=4 2098 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [1,0,1,0,0,0|2,0,0]=4 2099 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [1,0,1,0,0,0|1,0,1]=4 2100 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [1,0,1,0,0,0|1,0,1]=4 2101 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [1,0,1,0,0,0|2,0,0]=4 2102 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [1,0,1,0,0,0|2,0,0]=4 2103 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [1,0,1,0,0,0|2,0,0]=4 2104 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [1,0,1,0,0,0|2,0,0]=4 2105 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [1,0,1,0,0,0|2,0,0]=4 2106 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [1,0,1,0,0,0|2,0,0]=4 2107 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [1,0,1,0,0,0|2,0,0]=4 2108 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [1,0,1,0,0,0|2,0,0]=4 2109 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [1,0,1,0,0,0|2,0,0]=4 2110 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [1,0,1,0,0,0|2,0,0]=4 2111 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [1,0,1,0,0,0|2,0,0]=4 2112 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [1,0,1,0,0,0|2,0,0]=4 2113 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [1,0,1,0,0,0|2,0,0]=4 2114 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [1,0,1,0,0,0|2,0,0]=4 2115 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [1,0,1,0,0,0|2,0,0]=4 2116 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [1,0,1,0,0,0|2,0,0]=4 2117 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [1,0,1,0,0,0|2,0,0]=4 2118 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [1,0,1,0,0,0|2,0,0]=4 2119 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [1,0,1,0,0,0|2,0,0]=4 2120 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [1,0,1,0,0,0|2,0,0]=4 2121 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [1,0,1,0,0,0|2,0,0]=4 2122 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [1,0,1,0,0,0|2,0,0]=4 2123 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [1,0,1,0,0,0|2,0,0]=4 2124 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [1,0,1,0,0,0|2,0,0]=4 2125 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [1,0,1,0,0,0|2,0,0]=4 2126 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [1,0,1,0,0,0|2,0,0]=4 2127 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [1,0,1,0,0,0|2,0,0]=4 2128 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [1,0,1,0,0,0|2,0,0]=4 2129 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [1,0,1,0,0,0|2,0,0]=4 2130 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [1,0,1,0,0,0|2,0,0]=4 2131 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [1,0,1,0,0,0|2,0,0]=4 2132 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [1,0,1,0,0,0|2,0,0]=4 2133 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [1,0,1,0,0,0|2,0,0]=4 2134 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [1,0,1,0,0,0|2,0,0]=4 2135 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [1,0,1,0,0,0|2,0,0]=4 2136 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [1,0,1,0,0,0|1,0,1]=4 2137 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [1,0,1,0,0,0|1,0,1]=4 2138 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [1,0,1,0,0,0|1,0,1]=4 2139 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [1,0,1,0,0,0|1,0,1]=4 2140 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [1,0,1,0,0,0|2,0,0]=4 2141 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [1,0,1,0,0,0|2,0,0]=4 2142 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [1,0,1,0,0,0|2,0,0]=4 2143 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [1,0,1,0,0,0|2,0,0]=4 2144 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [1,0,1,0,0,0|2,0,0]=4 2145 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [1,0,1,0,0,0|1,0,1]=4 2146 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [1,0,1,0,0,0|1,0,0]=3 2147 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [1,0,1,0,0,0|1,0,0]=3 2148 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [1,0,1,0,0,0|2,0,0]=4 2149 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [1,0,1,0,0,0|2,0,0]=4 2150 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [1,0,1,0,0,0|2,0,0]=4 2151 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [1,0,1,0,0,0|2,0,0]=4 2152 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [1,0,1,0,0,0|2,0,0]=4 2153 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [1,0,1,0,0,0|2,0,0]=4 2154 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [1,0,1,0,0,0|1,0,0]=3 2155 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [1,0,1,0,0,0|1,0,0]=3 2156 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [1,0,1,0,0,0|1,0,0]=3 2157 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [1,0,1,0,0,0|1,0,0]=3 2158 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [1,0,1,0,0,0|2,0,0]=4 2159 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [1,0,1,0,0,0|2,0,0]=4 2160 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [1,0,1,0,0,0|2,0,0]=4 2161 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [1,0,1,0,0,0|2,0,0]=4 2162 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [1,0,1,0,0,0|2,0,0]=4 2163 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [1,0,1,0,0,0|2,0,0]=4 2164 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [1,0,1,0,0,0|2,0,0]=4 2165 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [1,0,1,0,0,0|2,0,0]=4 2166 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [1,0,1,0,0,0|1,0,1]=4 2167 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [1,0,1,0,0,0|1,0,1]=4 2168 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [1,0,1,0,0,0|1,0,1]=4 2169 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [1,0,1,0,0,0|2,0,0]=4 2170 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [1,0,1,0,0,0|2,0,0]=4 2171 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [1,0,1,0,0,0|2,0,0]=4 2172 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [1,0,1,0,0,0|2,0,0]=4 2173 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [1,0,1,0,0,0|2,0,0]=4 2174 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [1,0,1,0,0,0|2,0,0]=4 2175 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [1,0,1,0,0,0|2,0,0]=4 2176 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [1,0,1,0,0,0|2,0,0]=4 2177 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [1,0,1,0,0,0|1,0,0]=3 2178 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [1,0,1,0,0,0|2,0,0]=4 2179 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [1,0,1,0,0,0|2,0,0]=4 2180 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [1,0,1,0,0,0|2,0,0]=4 2181 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [1,0,1,0,0,0|2,0,0]=4 2182 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [1,0,1,0,0,0|2,0,0]=4 2183 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [1,0,1,0,0,0|2,0,0]=4 2184 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [1,0,1,0,0,0|2,0,0]=4 2185 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [1,0,1,0,0,0|2,0,0]=4 2186 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [1,0,1,0,0,0|2,0,0]=4 2187 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [1,0,1,0,0,0|2,0,0]=4 2188 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [1,0,1,0,0,0|2,0,0]=4 2189 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [1,0,1,0,0,0|2,0,0]=4 2190 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [1,0,1,0,0,0|1,0,0]=3 2191 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [1,0,1,0,0,0|1,0,0]=3 2192 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [1,0,1,0,0,0|1,0,0]=3 2193 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [1,0,1,0,0,0|2,0,0]=4 2194 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [1,0,1,0,0,0|2,0,0]=4 2195 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [1,0,1,0,0,0|2,0,0]=4 2196 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [1,0,1,0,0,0|2,0,0]=4 2197 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [1,0,1,0,0,0|2,0,0]=4 2198 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [1,0,1,0,0,0|2,0,0]=4 2199 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [1,0,1,0,0,0|2,0,0]=4 2200 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [1,0,1,0,0,0|1,0,0]=3 2201 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [1,0,1,0,0,0|1,0,1]=4 2202 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [1,0,1,0,0,0|2,0,0]=4 2203 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [1,0,1,0,0,0|2,0,0]=4 2204 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [1,0,1,0,0,0|2,0,0]=4 2205 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [1,0,1,0,0,0|2,0,0]=4 2206 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [1,0,1,0,0,0|2,0,0]=4 2207 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [1,0,1,0,0,0|1,0,1]=4 2208 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [1,0,1,0,0,0|2,0,0]=4 2209 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [1,0,1,0,0,0|2,0,0]=4 2210 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [1,0,1,0,0,0|1,0,1]=4 2211 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [1,0,1,0,0,0|1,0,1]=4 2212 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [1,0,1,0,0,0|2,0,0]=4 2213 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [1,0,1,0,0,0|2,0,0]=4 2214 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [1,0,1,0,0,0|2,0,0]=4 2215 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [1,0,1,0,0,0|2,0,0]=4 2216 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [1,0,1,0,0,0|2,0,0]=4 2217 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [1,0,1,0,0,0|2,0,0]=4 2218 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [1,0,1,0,0,0|2,0,0]=4 2219 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [1,0,1,0,0,0|2,0,0]=4 2220 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [1,0,1,0,0,0|2,0,0]=4 2221 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [1,0,1,0,0,0|2,0,0]=4 2222 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [1,0,1,0,0,0|2,0,0]=4 2223 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [1,0,1,0,0,0|2,0,0]=4 2224 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [1,0,1,0,0,0|2,0,0]=4 2225 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [1,0,1,0,0,0|2,0,0]=4 2226 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [1,0,1,0,0,0|2,0,0]=4 2227 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [1,0,1,0,0,0|2,0,0]=4 2228 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [1,0,1,0,0,0|2,0,0]=4 2229 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [1,0,1,0,0,0|2,0,0]=4 2230 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [1,0,1,0,0,0|2,0,0]=4 2231 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [1,0,1,0,0,0|2,0,0]=4 2232 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [1,0,1,0,0,0|2,0,0]=4 2233 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [1,0,1,0,0,0|2,0,0]=4 2234 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [1,0,1,0,0,0|2,0,0]=4 2235 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [1,0,1,0,0,0|2,0,0]=4 2236 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [1,0,1,0,0,0|2,0,0]=4 2237 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [1,0,1,0,0,0|2,0,0]=4 2238 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [1,0,1,0,0,0|2,0,0]=4 2239 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [1,0,1,0,0,0|2,0,0]=4 2240 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [1,0,1,0,0,0|2,0,0]=4 2241 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [1,0,1,0,0,0|2,0,0]=4 2242 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [1,0,1,0,0,0|2,0,0]=4 2243 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [1,0,1,0,0,0|2,0,0]=4 2244 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [1,0,1,0,0,0|2,0,0]=4 2245 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [1,0,1,0,0,0|2,0,0]=4 2246 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [1,0,1,0,0,0|2,0,0]=4 2247 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [1,0,1,0,0,0|2,0,0]=4 2248 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [1,0,1,0,0,0|2,0,0]=4 2249 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [1,0,1,0,0,0|2,0,0]=4 2250 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [1,0,1,0,0,0|1,0,1]=4 2251 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [1,0,1,0,0,0|2,0,0]=4 2252 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [1,0,1,0,0,0|2,0,0]=4 2253 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [1,0,1,0,0,0|2,0,0]=4 2254 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [1,0,1,0,0,0|2,0,0]=4 2255 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [1,0,1,0,0,0|2,0,0]=4 2256 B12R0.4 CC(=O)OC(C)SCCCCCF 62a_100000729378_100009818208 [1,0,1,0,0,0|2,0,0]=4 2257 B12R0.4 CC(=O)OC(C)SCCCCCF 62a_100009818208_100000729378 [1,0,1,0,0,0|2,0,0]=4 2258 B12R0.4 CC(=O)OC(C)SCCCCCO 62a_100000746330_100009818208 [1,0,1,0,0,0|2,0,0]=4 2259 B12R0.4 CC(=O)OC(C)SCCCCCO 62a_100009818208_100000746330 [1,0,1,0,0,0|2,0,0]=4 2260 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [1,0,1,0,0,0|1,0,1]=4 2261 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [1,0,1,0,0,0|1,0,1]=4 2262 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [1,0,1,0,0,0|1,0,1]=4 2263 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [1,0,1,0,0,0|2,0,0]=4 2264 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [1,0,1,0,0,0|2,0,0]=4 2265 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100000210314_100009818208 [1,0,1,0,0,0|1,0,0]=3 2266 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100009818208_100000210757 [1,0,1,0,0,0|1,0,0]=3 2267 B12R0.4 CCCCOCSC(C)OC(=O)C 62a_100009818208_100011995733 [1,0,1,0,0,0|2,0,0]=4 2268 B12R0.4 CCCCOCSC(C)OC(=O)C 62a_100011995733_100009818208 [1,0,1,0,0,0|2,0,0]=4 2269 B12R0.4 CCCOCCSC(C)OC(=O)C 62a_100009818208_100011215938 [1,0,1,0,0,0|2,0,0]=4 2270 B12R0.4 CCCOCCSC(C)OC(=O)C 62a_100011215938_100009818208 [1,0,1,0,0,0|2,0,0]=4 2271 B12R0.4 CCOCCCSC(C)OC(=O)C 62a_100009818208_100012232248 [1,0,1,0,0,0|2,0,0]=4 2272 B12R0.4 CCOCCCSC(C)OC(=O)C 62a_100012232248_100009818208 [1,0,1,0,0,0|2,0,0]=4 2273 B12R0.4 COCCCCSC(C)OC(=O)C 62a_100000730899_100009818208 [1,0,1,0,0,0|2,0,0]=4 2274 B12R0.4 COCCCCSC(C)OC(=O)C 62a_100009818208_100000730899 [1,0,1,0,0,0|2,0,0]=4 2275 B12R0.121 C=CC(CCC)OCCCCCC 34a_100011216692_100000210314 [1,0,1,0,0,0|2,0,0]=4 2276 B12R0.121 C=CC(CCC)OCCCCCC 7a_100011216692_100000210314 [1,0,1,0,0,0|2,0,0]=4 2277 B12R0.121 C=CC(CCCCCCC)OCC 34a_200011934235_100000210202 [1,0,1,0,0,0|2,0,0]=4 2278 B12R0.121 C=CC(CCCCCCC)OCC 7a_200011934235_100000210202 [1,0,1,0,0,0|2,0,0]=4 2279 B12R0.121 CCCCCCCC(CC)NCC 270004a_100015525214_200011217162 [1,0,1,0,0,0|1,0,1]=4 2280 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [1,0,1,0,0,0|0,0,1]=3 2281 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [1,0,1,0,0,0|0,0,1]=3 2282 B12R0.121 CCCCCCCC(CC)OCF 34a_200011217053_100015361967 [1,0,1,0,0,0|1,0,1]=4 2283 B12R0.121 CCCCCCCC(CC)OCF 7a_200011217053_100015361967 [1,0,1,0,0,0|1,0,1]=4 2284 B12R0.121 CCCCCCCC(CCC)NC 270004a_106832991635_200011216337 [1,0,1,0,0,0|1,0,1]=4 2285 B12R0.121 CCCCCCCN(CC)CC=O 2230a_100000228213_200015260668 [1,0,1,0,0,0|2,0,0]=4 2286 B12R0.121 CCCCCCCN(CC)CC=O 269982a_100000228213_200015260668 [1,0,1,0,0,0|2,0,0]=4 2287 B12R0.121 CCCCCNCC(CC)OCC 2230a_100015183923_100000210326 [1,0,1,0,0,0|1,0,1]=4 2288 B12R0.121 CCCCCNCC(CC)OCC 34a_100015183923_100000718602 [1,0,1,0,0,0|1,0,1]=4 2289 B12R0.202 CCCCCCC(CC)OC(C)C 34a_100011215785_100000210206 [1,0,1,0,0,0|1,0,1]=4 2290 B12R0.202 CCCCCCC(CC)OC(C)C 7a_100011215785_100000210206 [1,0,1,0,0,0|1,0,1]=4 2291 B12R0.205 CCCCCCC(CCC)OCC 34a_200011215193_100000210202 [1,0,1,0,0,0|1,0,1]=4 2292 B12R0.205 CCCCCCC(CCC)OCC 7a_200011215193_100000210202 [1,0,1,0,0,0|1,0,1]=4 2293 B12R0.205 CCCCCCC(CCC)OCF 34a_200011215193_100015361967 [1,0,1,0,0,0|1,0,1]=4 2294 B12R0.205 CCCCCCC(CCC)OCF 7a_200011215193_100015361967 [1,0,1,0,0,0|1,0,1]=4 2295 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [1,0,1,0,0,0|1,0,0]=3 2296 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [1,0,1,0,0,0|1,0,0]=3 2297 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [1,0,1,0,0,0|1,0,0]=3 2298 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [1,0,1,0,0,0|1,0,0]=3 2299 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [1,0,1,0,0,0|2,0,0]=4 2300 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [1,0,1,0,0,0|2,0,0]=4 2301 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100000210919_106832991635 [1,0,1,0,0,0|2,0,0]=4 2302 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100102657272_100000210919 [1,0,1,0,0,0|2,0,0]=4 2303 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100000210919_100102657272 [1,0,1,0,0,0|2,0,0]=4 2304 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100102657272_100000210919 [1,0,1,0,0,0|2,0,0]=4 2305 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_100000210919_100102657272 [1,0,1,0,0,0|2,0,0]=4 2306 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_106832991638_100000210919 [1,0,1,0,0,0|2,0,0]=4 2307 B12R0.113 CCCCCCC(C)OC(C)CC 34a_100000210265_100011215416 [1,0,1,0,0,0|1,0,1]=4 2308 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210228_100011215978 [1,0,1,0,0,0|1,0,1]=4 2309 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210265_100000758301 [1,0,1,0,0,0|1,0,1]=4 2310 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [1,0,1,0,0,0|2,0,0]=4 2311 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [1,0,1,0,0,0|1,0,1]=4 2312 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [1,0,1,0,0,0|2,0,0]=4 2313 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [1,0,1,0,0,0|2,0,0]=4 2314 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [1,0,1,0,0,0|1,0,1]=4 2315 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [1,0,1,0,0,0|0,0,1]=3 2316 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [1,0,1,0,0,0|0,0,1]=3 2317 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [1,0,1,0,0,0|0,0,1]=3 2318 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [1,0,1,0,0,0|1,0,1]=4 2319 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [1,0,1,0,0,0|1,0,1]=4 2320 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [1,0,1,0,0,0|1,0,1]=4 2321 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [1,0,1,0,0,0|1,0,1]=4 2322 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [1,0,1,0,0,0|1,0,1]=4 2323 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [1,0,1,0,0,0|1,0,1]=4 2324 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [1,0,1,0,0,0|2,0,0]=4 2325 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [1,0,1,0,0,0|2,0,0]=4 2326 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [1,0,1,0,0,0|0,1,1]=4 2327 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [1,0,1,0,0,0|0,1,1]=4 2328 B12R0.206 CCCCCNCC(C)OCCC 2230a_100015185124_100000210326 [1,0,1,0,0,0|1,0,1]=4 2329 B12R0.206 CCCCCNCC(C)OCCC 34a_100015185124_100000718602 [1,0,1,0,0,0|1,0,1]=4 2330 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [1,0,1,0,0,0|2,0,0]=4 2331 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [1,0,1,0,0,0|2,0,0]=4 2332 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [2,0,0,0,0,0|2,0,0]=4 2333 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [2,0,0,0,0,0|2,0,0]=4 2334 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [2,0,0,0,0,0|2,0,0]=4 2335 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [2,0,0,0,0,0|1,0,1]=4 2336 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [2,0,0,0,0,0|2,0,0]=4 2337 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [2,0,0,0,0,0|2,0,0]=4 2338 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [2,0,0,0,0,0|1,0,1]=4 2339 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [2,0,0,0,0,0|1,0,1]=4 2340 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [2,0,0,0,0,0|1,0,1]=4 2341 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [2,0,0,0,0,0|1,0,1]=4 2342 B12R1.8 CCCCOCC1CCC=CO1 34a_100011217868_100000210210 [2,0,0,0,0,0|1,0,1]=4 2343 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [2,0,0,0,0,0|1,0,1]=4 2344 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [2,0,0,0,0,0|1,0,1]=4 2345 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [2,0,0,0,0,0|1,0,1]=4 2346 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [2,0,0,0,0,0|1,0,1]=4 2347 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [2,0,0,0,0,0|1,0,1]=4 2348 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [2,0,0,0,0,0|1,0,1]=4 2349 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [2,0,0,0,0,0|1,0,1]=4 2350 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [2,0,0,0,0,0|1,0,1]=4 2351 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [2,0,0,0,0,0|2,0,0]=4 2352 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [2,0,0,0,0,0|2,0,0]=4 2353 B14R0.1 CCCC(=O)COCCCC(C)CCC 7a_100011713154_100000747444 [0,1,1,0,0,0|2,0,0]=4 2354 B14R0.1 CCCC(=O)OCOCCC(C)CCC 34a_100011217855_100000034017 [0,1,1,0,0,0|1,0,0]=3 2355 B14R0.1 CCCC(=O)OCOCC[C@@H](N)CCC 34a_100015193777_100000034017 [0,1,1,0,0,0|1,0,0]=3 2356 B14R0.32 CCCC(=O)OCOCCC[C@@H](C)CN 34a_100160569302_100000034017 [0,1,1,0,0,0|2,0,0]=4 2357 B14R0.32 CCCC(C)OCCCCCC(C)CC 7a_200000035636_100000766640 [0,1,1,0,0,0|1,0,1]=4 2358 B14R0.73 CCCCCCCC(=O)CC(=O)CCC 1458a_100000211969_100000747444 [0,1,1,0,0,0|1,0,1]=4 2359 B14R0.73 CCCCCCCC(C)OC(C)CCC 34a_100000764384_200011218727 [0,1,1,0,0,0|1,0,1]=4 2360 B14R0.73 CCCCCCCC(C)OC(C)CCC 34a_200011215852_100000766640 [0,1,1,0,0,0|1,0,1]=4 2361 B14R0.73 CCCCCCCC(C)OC(C)CCC 7a_100000764384_200011218727 [0,1,1,0,0,0|1,0,1]=4 2362 B14R0.73 CCCCCCCC(C)OC(C)CCC 7a_200011215852_100000766640 [0,1,1,0,0,0|1,0,1]=4 2363 B14R0.73 CCCCCCCC(O)CC(=O)CCC 1458a_200011667753_100000210303 [0,1,1,0,0,0|1,0,0]=3 2364 B14R0.73 CCCCCCCC(O)CC(=O)CCF 1458a_200011667753_100011217306 [0,1,1,0,0,0|2,0,0]=4 2365 B14R0.73 CCCCCCCC(O)CC(=O)CCO 1458a_200011667753_100000211926 [0,1,1,0,0,0|2,0,0]=4 2366 B14R0.73 CCCCCCCC(O)CC(=O)NCC 240690a_100015525214_200011667753 [0,1,1,0,0,0|2,0,0]=4 2367 B14R0.73 CCCCCCCN(C)CC(=O)CCC 2230a_100000228206_100000747444 [0,1,1,0,0,0|2,0,0]=4 2368 B14R0.73 CCCCCCCN(C)CC(=O)CCC 269982a_100000228206_100000747444 [0,1,1,0,0,0|2,0,0]=4 2369 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210757 [0,1,1,0,0,0|2,0,0]=4 2370 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000210314_100000036008 [0,1,1,0,0,0|2,0,0]=4 2371 B14R0.83 CCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210759 [0,1,1,0,0,0|2,0,0]=4 2372 B14R0.83 CCCCCCCCC(O)C(=O)CCC 1458a_200011995895_100000210303 [0,1,1,0,0,0|1,0,0]=3 2373 B14R0.83 CCCCCCCCC(O)C(=O)CCF 1458a_200011995895_100011217306 [0,1,1,0,0,0|2,0,0]=4 2374 B14R0.83 CCCCCCCCC(O)C(=O)CCO 1458a_200011995895_100000211926 [0,1,1,0,0,0|2,0,0]=4 2375 B14R0.83 CCCCCCCCC(O)C(=O)NCC 240690a_100015525214_200011995895 [0,1,1,0,0,0|2,0,0]=4 2376 B14R0.83 CCCCCCCCN(C)C(=O)CCC 11a_100000207567_100000211992 [0,1,1,0,0,0|1,0,0]=3 2377 B14R0.83 CCCCCCCCN(C)C(=O)CCC 1626a_100000207567_100000211992 [0,1,1,0,0,0|1,0,0]=3 2378 B14R0.83 CCCCCCCCN(C)C(=O)CCC 240690a_100000207567_100000211992 [0,1,1,0,0,0|1,0,0]=3 2379 B14R0.83 CCCCCCCCN(C)C(=O)CCC 527a_100000207567_100000211992 [0,1,1,0,0,0|1,0,0]=3 2380 B14R0.83 CCCCCCCCN(C)C(=O)CCO 240690a_100000207567_100011216618 [0,1,1,0,0,0|2,0,0]=4 2381 B14R0.83 CCCCCCCCN(C)C(=O)COC 11a_100000207567_100000210968 [0,1,1,0,0,0|2,0,0]=4 2382 B14R0.83 CCCCCCCCN(C)C(=O)COC 1626a_100000207567_100000210968 [0,1,1,0,0,0|2,0,0]=4 2383 B14R0.83 CCCCCCCCN(C)C(=O)COC 240690a_100000207567_100000210968 [0,1,1,0,0,0|2,0,0]=4 2384 B14R0.83 CCCCCCCCN(C)C(=O)COC 527a_100000207567_100000210968 [0,1,1,0,0,0|2,0,0]=4 2385 B14R0.83 CCCCCCCCN(C)C(=O)CSC 11a_100000207567_100000184570 [0,1,1,0,0,0|2,0,0]=4 2386 B14R0.83 CCCCCCCCN(C)C(=O)CSC 1626a_100000207567_100000184570 [0,1,1,0,0,0|2,0,0]=4 2387 B14R0.83 CCCCCCCCN(C)C(=O)CSC 240690a_100000207567_100000184570 [0,1,1,0,0,0|2,0,0]=4 2388 B14R0.83 CCCCCCCCN(C)C(=O)CSC 527a_100000207567_100000184570 [0,1,1,0,0,0|2,0,0]=4 2389 B14R0.83 CCCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000207567 [0,1,1,0,0,0|2,0,0]=4 2390 B14R0.83 CCCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000207567 [0,1,1,0,0,0|2,0,0]=4 2391 B14R0.90 C#CC(CCC)OCCCCCCCC 34a_200011217317_100000210759 [0,1,1,0,0,0|1,0,1]=4 2392 B14R0.90 C#CC(CCC)OCCCCCCCC 7a_200011217317_100000210759 [0,1,1,0,0,0|1,0,1]=4 2393 B14R0.90 C=CC(CCC)OCCCCCCCC 34a_100011216692_100000210759 [0,1,1,0,0,0|1,0,1]=4 2394 B14R0.90 C=CC(CCC)OCCCCCCCC 7a_100011216692_100000210759 [0,1,1,0,0,0|1,0,1]=4 2395 B14R0.90 CCCCCCCCOC(C#N)CCC 34a_100000686963_100000210759 [0,1,1,0,0,0|1,0,1]=4 2396 B14R0.90 CCCCCCCCOC(C#N)CCC 7a_100000686963_100000210759 [0,1,1,0,0,0|1,0,1]=4 2397 B14R0.90 CCCCCCCCOC(CC)CCC 34a_100000687864_100000210759 [0,1,1,0,0,0|1,0,1]=4 2398 B14R0.90 CCCCCCCCOC(CC)CCC 7a_100000210232_100011219200 [0,1,1,0,0,0|1,0,1]=4 2399 B14R0.90 CCCCCCCCOC(CC)CCC 7a_100000687864_100000210759 [0,1,1,0,0,0|1,0,1]=4 2400 B14R0.163 CCCC(=O)OCNCC(O)COCC 2230a_102515437182_100000034017 [0,1,1,0,0,0|2,0,0]=4 2401 B14R0.163 CCCC(=O)OCNCC(O)COCC 34a_102515437182_100000034017 [0,1,1,0,0,0|2,0,0]=4 2402 B14R0.163 CCCC(=O)OCNC[C@H](C)CCCO 2230a_100160569302_100000034017 [0,1,1,0,0,0|2,0,0]=4 2403 B14R0.163 CCCC(=O)OCNC[C@H](C)CCCO 34a_100160569302_100000034017 [0,1,1,0,0,0|2,0,0]=4 2404 B14R0.163 CCCC(=O)OCOC[C@@H](N)CCSC 34a_100011827619_100000034017 [0,1,1,0,0,0|2,0,0]=4 2405 B14R0.163 CCCCC(C)COCOC(=O)CCC 34a_100011995851_100000034017 [0,1,1,0,0,0|1,0,0]=3 2406 B14R0.163 CCCC[C@H](N)COCOC(=O)CCC 34a_100011934283_100000034017 [0,1,1,0,0,0|1,0,0]=3 2407 B14R0.163 CCCOC(C)CNCOC(=O)CCC 2230a_100015185124_100000034017 [0,1,1,0,0,0|2,0,0]=4 2408 B14R0.163 CCCOC(C)CNCOC(=O)CCC 34a_100015185124_100000034017 [0,1,1,0,0,0|2,0,0]=4 2409 B14R0.181 CCC(C)C(=O)CCCCCCCCO 1458a_100011192722_100000033203 [0,1,1,0,0,0|2,0,0]=4 2410 B14R0.181 CCC(C)C(=O)NCCCCCCCO 240690a_100011996573_100011192722 [0,1,1,0,0,0|2,0,0]=4 2411 B14R0.181 CCC(O)C(=O)CCCCCCCCO 1458a_100011196387_100000033203 [0,1,1,0,0,0|2,0,0]=4 2412 B14R0.181 CCC(O)C(=O)NCCCCCCCO 240690a_100011996573_100011196387 [0,1,1,0,0,0|2,0,0]=4 2413 B14R0.181 CCCCCCCC=CC(=O)C(C)CC 1458a_200015332781_100000758301 [0,1,1,0,0,0|1,0,1]=4 2414 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100000210558_100000758301 [0,1,1,0,0,0|1,0,0]=3 2415 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210670 [0,1,1,0,0,0|1,0,0]=3 2416 B14R0.181 CCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210670 [0,1,1,0,0,0|2,0,0]=4 2417 B14R0.181 CCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210670 [0,1,1,0,0,0|2,0,0]=4 2418 B14R0.181 CCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210670 [0,1,1,0,0,0|1,0,0]=3 2419 B14R0.181 CCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210670 [0,1,1,0,0,0|2,0,0]=4 2420 B14R0.181 CCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210558 [0,1,1,0,0,0|2,0,0]=4 2421 B14R0.181 CCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210558 [0,1,1,0,0,0|2,0,0]=4 2422 B14R0.181 CCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210558 [0,1,1,0,0,0|2,0,0]=4 2423 B14R0.181 CCCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210558 [0,1,1,0,0,0|2,0,0]=4 2424 B14R0.181 CCCCCCCCNC(=O)C(C)CC 11a_100000229939_100011192722 [0,1,1,0,0,0|1,0,0]=3 2425 B14R0.181 CCCCCCCCNC(=O)C(C)CC 1626a_100000229939_100011192722 [0,1,1,0,0,0|1,0,0]=3 2426 B14R0.181 CCCCCCCCNC(=O)C(C)CC 240690a_100000229939_100011192722 [0,1,1,0,0,0|1,0,0]=3 2427 B14R0.181 CCCCCCCCNC(=O)C(C)CC 527a_100000229939_100011192722 [0,1,1,0,0,0|1,0,0]=3 2428 B14R0.181 CCCCCCCCNC(=O)C(C)OC 11a_100000229939_100000743197 [0,1,1,0,0,0|2,0,0]=4 2429 B14R0.181 CCCCCCCCNC(=O)C(C)OC 1626a_100000229939_100000743197 [0,1,1,0,0,0|2,0,0]=4 2430 B14R0.181 CCCCCCCCNC(=O)C(C)OC 240690a_100000229939_100000743197 [0,1,1,0,0,0|2,0,0]=4 2431 B14R0.181 CCCCCCCCNC(=O)C(C)OC 527a_100000229939_100000743197 [0,1,1,0,0,0|2,0,0]=4 2432 B14R0.181 CCCCCCCCNC(=O)C(C)SC 11a_100000229939_100000149566 [0,1,1,0,0,0|2,0,0]=4 2433 B14R0.181 CCCCCCCCNC(=O)C(C)SC 1626a_100000229939_100000149566 [0,1,1,0,0,0|2,0,0]=4 2434 B14R0.181 CCCCCCCCNC(=O)C(C)SC 240690a_100000229939_100000149566 [0,1,1,0,0,0|2,0,0]=4 2435 B14R0.181 CCCCCCCCNC(=O)C(C)SC 527a_100000229939_100000149566 [0,1,1,0,0,0|2,0,0]=4 2436 B14R0.181 CCCCCCCCNC(=O)C(O)CC 240690a_100000229939_100011196387 [0,1,1,0,0,0|1,0,0]=3 2437 B14R0.181 CCCCCCCCNC(=O)C(O)CO 240690a_100000229939_100011215603 [0,1,1,0,0,0|2,0,0]=4 2438 B14R0.181 CCCCCCCCNC(=O)N(C)CC 2708a_100000229939_100000225621 [0,1,1,0,0,0|2,0,0]=4 2439 B14R0.181 CCCCCCCCNC(=O)N(C)CC 273464a_100000229939_100000225621 [0,1,1,0,0,0|2,0,0]=4 2440 B14R0.181 CCCCCCCCOC(C)C(C)CC 7a_100011215189_100000210759 [0,1,1,0,0,0|1,0,1]=4 2441 B14R0.181 CCCCOCCCNC(=O)C(C)CC 1626a_200000211371_100011192722 [0,1,1,0,0,0|2,0,0]=4 2442 B14R0.181 CCCCOCCCNC(=O)C(C)CC 240690a_200000211371_100011192722 [0,1,1,0,0,0|2,0,0]=4 2443 B14R0.181 CCCCOCCCNC(=O)C(C)CC 527a_200000211371_100011192722 [0,1,1,0,0,0|2,0,0]=4 2444 B14R0.181 CCCCOCCCNC(=O)C(O)CC 240690a_200000211371_100011196387 [0,1,1,0,0,0|2,0,0]=4 2445 B14R0.199 CCCC(=O)OCC(=O)CCCCCO 1458a_100102619762_100000034017 [0,1,1,0,0,0|1,0,1]=4 2446 B14R0.199 CCCC(=O)OCN(C)CCCCCO 2230a_100000722520_100000034017 [0,1,1,0,0,0|2,0,0]=4 2447 B14R0.199 CCCC(=O)OCN(C)CCCCCO 269982a_100000722520_100000034017 [0,1,1,0,0,0|2,0,0]=4 2448 B14R0.199 CCCCCCC(=O)COC(=O)CCC 1458a_100102632555_100000034017 [0,1,1,0,0,0|0,0,1]=3 2449 B14R0.199 CCCCCCC(C)NCC(=O)CCC 2230a_100000210919_100000747444 [0,1,1,0,0,0|2,0,0]=4 2450 B14R0.199 CCCCCCC(C)OCC(=O)CCC 7a_100000210265_100000747444 [0,1,1,0,0,0|2,0,0]=4 2451 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100000747444_100011215978 [0,1,1,0,0,0|2,0,0]=4 2452 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100011215978_100000747444 [0,1,1,0,0,0|2,0,0]=4 2453 B14R0.199 CCCCCCN(C)COC(=O)CCC 2230a_106256046315_100000034017 [0,1,1,0,0,0|1,0,0]=3 2454 B14R0.199 CCCCCCN(C)COC(=O)CCC 269982a_106256046315_100000034017 [0,1,1,0,0,0|1,0,0]=3 2455 B14R0.199 CCCCOCC(=O)COC(=O)CCC 1458a_100000757543_100000034017 [0,1,1,0,0,0|1,0,1]=4 2456 B14R0.199 CCCCSCC(=O)COC(=O)CCC 1458a_100000191162_100000034017 [0,1,1,0,0,0|1,0,1]=4 2457 B14R0.391 C=C(C)CC(=O)CCCCCCCCC 1458a_100000210558_100000748629 [0,1,1,0,0,0|1,0,1]=4 2458 B14R0.391 CC(C)CC(=O)CCCCCCCCO 1458a_100000210554_100000033203 [0,1,1,0,0,0|2,0,0]=4 2459 B14R0.391 CC(C)CC(=O)NCCCCCCCO 240690a_100011996573_100000210554 [0,1,1,0,0,0|2,0,0]=4 2460 B14R0.391 CCCCCCCC=CC(=O)CC(C)C 1458a_200015332781_100000210624 [0,1,1,0,0,0|1,0,1]=4 2461 B14R0.391 CCCCCCCC=CC(=O)CC(C)O 1458a_200015332781_100011218427 [0,1,1,0,0,0|1,0,1]=4 2462 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210670 [0,1,1,0,0,0|1,0,0]=3 2463 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210558_100000210624 [0,1,1,0,0,0|1,0,0]=3 2464 B14R0.391 CCCCCCCCCC(=O)CC(C)O 1458a_100000210558_100011218427 [0,1,1,0,0,0|1,0,0]=3 2465 B14R0.391 CCCCCCCCCC(=O)CC(F)F 1458a_100000210558_100011934356 [0,1,1,0,0,0|2,0,0]=4 2466 B14R0.391 CCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210670 [0,1,1,0,0,0|2,0,0]=4 2467 B14R0.391 CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210670 [0,1,1,0,0,0|1,0,0]=3 2468 B14R0.391 CCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210670 [0,1,1,0,0,0|2,0,0]=4 2469 B14R0.391 CCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210558 [0,1,1,0,0,0|2,0,0]=4 2470 B14R0.391 CCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210558 [0,1,1,0,0,0|2,0,0]=4 2471 B14R0.391 CCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210558 [0,1,1,0,0,0|2,0,0]=4 2472 B14R0.391 CCCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210558 [0,1,1,0,0,0|2,0,0]=4 2473 B14R0.391 CCCCCCCCNC(=O)CC(C)C 11a_100000229939_100000210554 [0,1,1,0,0,0|1,0,0]=3 2474 B14R0.391 CCCCCCCCNC(=O)CC(C)C 1626a_100000229939_100000210554 [0,1,1,0,0,0|1,0,0]=3 2475 B14R0.391 CCCCCCCCNC(=O)CC(C)C 240690a_100000229939_100000210554 [0,1,1,0,0,0|1,0,0]=3 2476 B14R0.391 CCCCCCCCNC(=O)CC(C)C 527a_100000229939_100000210554 [0,1,1,0,0,0|1,0,0]=3 2477 B14R0.391 CCCCCCCCNC(=O)CN(C)C 11a_100000229939_100000750896 [0,1,1,0,0,0|2,0,0]=4 2478 B14R0.391 CCCCCCCCNC(=O)CN(C)C 240690a_100000229939_100000750896 [0,1,1,0,0,0|2,0,0]=4 2479 B14R0.391 CCCCCCCCNC(=O)CN(C)C 527a_100000229939_100000750896 [0,1,1,0,0,0|2,0,0]=4 2480 B14R0.391 CCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229939_100011933948 [0,1,1,0,0,0|1,0,0]=3 2481 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 11a_100000229939_200159257847 [0,1,1,0,0,0|2,0,0]=4 2482 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 1626a_100000229939_200159257847 [0,1,1,0,0,0|2,0,0]=4 2483 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 240690a_100000229939_200159257847 [0,1,1,0,0,0|2,0,0]=4 2484 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 527a_100000229939_200159257847 [0,1,1,0,0,0|2,0,0]=4 2485 B14R0.391 CCCCCCCCNC(=O)NC(C)C 2708a_100000229939_100138425928 [0,1,1,0,0,0|2,0,0]=4 2486 B14R0.391 CCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229939 [0,1,1,0,0,0|2,0,0]=4 2487 B14R0.391 CCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229939 [0,1,1,0,0,0|2,0,0]=4 2488 B14R0.391 CCCCCCCCNC(=O)NC(C)C 512a_100000229939_100138425928 [0,1,1,0,0,0|2,0,0]=4 2489 B14R0.391 CCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229939 [0,1,1,0,0,0|2,0,0]=4 2490 B14R0.391 CCCCCCCCOC(C)CC(C)C 34a_100000210232_100000731052 [0,1,1,0,0,0|1,0,1]=4 2491 B14R0.391 CCCCCCCCOC(C)CC(C)C 34a_100000211805_100000210759 [0,1,1,0,0,0|1,0,1]=4 2492 B14R0.391 CCCCCCCCOC(C)CC(C)C 7a_100000210232_100000731052 [0,1,1,0,0,0|1,0,1]=4 2493 B14R0.391 CCCCCCCCOC(C)CC(C)C 7a_100000211805_100000210759 [0,1,1,0,0,0|1,0,1]=4 2494 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210757 [0,1,1,0,0,0|2,0,0]=4 2495 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000210314_100000003507 [0,1,1,0,0,0|2,0,0]=4 2496 B14R0.391 CCCCCOCCOC(=O)CC(=O)C 34a_100000210253_100000102702 [0,1,1,0,0,0|1,0,1]=4 2497 B14R0.391 CCCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210326 [0,1,1,0,0,0|1,0,1]=4 2498 B14R0.391 CCCCCSCCOC(=O)CC(=O)C 62a_100000210326_100000102702 [0,1,1,0,0,0|1,0,1]=4 2499 B14R0.391 CCCCOCCCNC(=O)CC(C)C 1626a_200000211371_100000210554 [0,1,1,0,0,0|2,0,0]=4 2500 B14R0.391 CCCCOCCCNC(=O)CC(C)C 240690a_200000211371_100000210554 [0,1,1,0,0,0|2,0,0]=4 2501 B14R0.391 CCCCOCCCNC(=O)CC(C)C 527a_200000211371_100000210554 [0,1,1,0,0,0|2,0,0]=4 2502 B14R0.391 CCCCOCCCNC(=O)C[C@@H](C)O 240690a_200000211371_100011933948 [0,1,1,0,0,0|2,0,0]=4 2503 B14R0.391 C[C@@H](O)CC(=O)CCCCCCCCO 1458a_100011933948_100000033203 [0,1,1,0,0,0|2,0,0]=4 2504 B14R0.391 C[C@@H](O)CC(=O)NCCCCCCCO 240690a_100011996573_100011933948 [0,1,1,0,0,0|2,0,0]=4 2505 B14R0.393 C#CCC(=O)COCCCCCCCC 1458a_100000759886_100000184674 [0,1,1,0,0,0|0,0,2]=4 2506 B14R0.393 C#CCCCCCCCCC(=O)CCC 1458a_100000029693_100000210303 [0,1,1,0,0,0|1,0,1]=4 2507 B14R0.393 C#CCCCCCCOCC(=O)CCC 7a_100011217361_100000747444 [0,1,1,0,0,0|0,0,2]=4 2508 B14R0.393 C#CCCCCCOCOC(=O)CCC 34a_100000766912_100000034017 [0,1,1,0,0,0|0,0,2]=4 2509 B14R0.393 C#CCCCCCSCOC(=O)CCC 62a_100012094781_100000034017 [0,1,1,0,0,0|0,0,2]=4 2510 B14R0.393 C=CCC(=O)COCCCCCCCC 1458a_100000759886_100000210623 [0,1,1,0,0,0|0,0,2]=4 2511 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [0,1,1,0,0,0|1,0,1]=4 2512 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [0,1,1,0,0,0|1,0,1]=4 2513 B14R0.393 C=CCCCCCCOCC(=O)CCC 7a_200011216477_100000747444 [0,1,1,0,0,0|0,0,2]=4 2514 B14R0.393 C=CCCCCCOCOC(=O)CCC 34a_100011216702_100000034017 [0,1,1,0,0,0|0,0,2]=4 2515 B14R0.393 C=CCCCCCSCOC(=O)CCC 62a_100000700193_100000034017 [0,1,1,0,0,0|0,0,2]=4 2516 B14R0.393 CC#CCCCCCCCC(=O)CCC 1458a_100000066323_100000210303 [0,1,1,0,0,0|1,0,1]=4 2517 B14R0.393 CC/C=C/CCCOCOC(=O)CCC 34a_100016287902_100000034017 [0,1,1,0,0,0|0,0,2]=4 2518 B14R0.393 CC/C=C\CCCCOCC(=O)CCC 7a_100016287862_100000747444 [0,1,1,0,0,0|0,0,2]=4 2519 B14R0.393 CCC#CCCCCCCC(=O)CCC 1458a_100000211992_200000036426 [0,1,1,0,0,0|1,0,1]=4 2520 B14R0.393 CCCC#CCCOCOC(=O)CCC 34a_100000042726_100000034017 [0,1,1,0,0,0|0,0,2]=4 2521 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [0,1,1,0,0,0|1,0,0]=3 2522 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [0,1,1,0,0,0|1,0,0]=3 2523 B14R0.393 CCCC(=O)CNCCCCCCCO 2230a_100011996573_100000747444 [0,1,1,0,0,0|2,0,0]=4 2524 B14R0.393 CCCC(=O)COCCCCCCCBr 7a_100000760002_100000747444 [0,1,1,0,0,0|1,0,0]=3 2525 B14R0.393 CCCC(=O)COCCCCCCOC 7a_200012092642_100000747444 [0,1,1,0,0,0|1,0,0]=3 2526 B14R0.393 CCCC(=O)COCCOCCOCC 7a_100000210240_100000747444 [0,1,1,0,0,0|2,0,0]=4 2527 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000747444_100000760002 [0,1,1,0,0,0|1,1,0]=4 2528 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000760002_100000747444 [0,1,1,0,0,0|1,1,0]=4 2529 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100000747444_100011998445 [0,1,1,0,0,0|1,1,0]=4 2530 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100011998445_100000747444 [0,1,1,0,0,0|1,1,0]=4 2531 B14R0.393 CCCC(=O)NCCCCCCCCO 240690a_102515433106_100000211992 [0,1,1,0,0,0|1,0,0]=3 2532 B14R0.393 CCCC(=O)OCNCCCCCCO 2230a_100000686447_100000034017 [0,1,1,0,0,0|1,0,0]=3 2533 B14R0.393 CCCC(=O)OCNCCCCCCO 34a_100000686447_100000034017 [0,1,1,0,0,0|1,0,0]=3 2534 B14R0.393 CCCC(=O)OCNCCCCCOC 2230a_100000747528_100000034017 [0,1,1,0,0,0|1,0,0]=3 2535 B14R0.393 CCCC(=O)OCNCCCCCOC 34a_100000747528_100000034017 [0,1,1,0,0,0|1,0,0]=3 2536 B14R0.393 CCCC(=O)OCNCCOCCOC 2230a_100000745349_100000034017 [0,1,1,0,0,0|2,0,0]=4 2537 B14R0.393 CCCC(=O)OCNCCOCCOC 34a_100000745349_100000034017 [0,1,1,0,0,0|2,0,0]=4 2538 B14R0.393 CCCC(=O)OCOCCCCCCBr 34a_100011215345_100000034017 [0,1,1,0,0,0|1,0,0]=3 2539 B14R0.393 CCCC(=O)OCOCCCCCCCl 34a_100000766143_100000034017 [0,1,1,0,0,0|1,0,0]=3 2540 B14R0.393 CCCC(=O)OCOCCCCCCF 34a_100000732779_100000034017 [0,1,1,0,0,0|1,0,0]=3 2541 B14R0.393 CCCC(=O)OCOCCCCCCN 34a_100000686447_100000034017 [0,1,1,0,0,0|1,0,0]=3 2542 B14R0.393 CCCC(=O)OCOCCCCCNC 34a_100000722520_100000034017 [0,1,1,0,0,0|1,0,0]=3 2543 B14R0.393 CCCC(=O)OCOCCOCCNC 34a_100000228057_100000034017 [0,1,1,0,0,0|2,0,0]=4 2544 B14R0.393 CCCC(=O)OCOCCOCCOC 34a_100011215163_100000034017 [0,1,1,0,0,0|2,0,0]=4 2545 B14R0.393 CCCC(=O)OCSCCCCCC#N 62a_100009813376_100000034017 [0,1,1,0,0,0|1,0,1]=4 2546 B14R0.393 CCCC(=O)OCSCCCCCC=O 62a_100000139337_100000034017 [0,1,1,0,0,0|1,0,1]=4 2547 B14R0.393 CCCC(=O)OCSCCCCCCF 62a_100015922095_100000034017 [0,1,1,0,0,0|1,0,0]=3 2548 B14R0.393 CCCC(=O)OCSCCCCCCO 62a_100000766143_100000034017 [0,1,1,0,0,0|1,0,0]=3 2549 B14R0.393 CCCC(=O)OCSCCOCCOC 62a_100000695917_100000034017 [0,1,1,0,0,0|2,0,0]=4 2550 B14R0.393 CCCC(C)OCCCCCCCCBr 34a_100009813846_100000766640 [0,1,1,0,0,0|1,0,1]=4 2551 B14R0.393 CCCC(C)OCCCCCCCCBr 7a_100009813846_100000766640 [0,1,1,0,0,0|1,0,1]=4 2552 B14R0.393 CCCC(C)OCCCCCCCCCl 34a_100000033203_100000766640 [0,1,1,0,0,0|1,0,1]=4 2553 B14R0.393 CCCC(C)OCCCCCCCCCl 7a_100000033203_100000766640 [0,1,1,0,0,0|1,0,1]=4 2554 B14R0.393 CCCC(C)OCCCCCCCCN 34a_102515433106_100000766640 [0,1,1,0,0,0|1,0,1]=4 2555 B14R0.393 CCCC(C)OCCCCCCCCO 34a_100000764384_100000033203 [0,1,1,0,0,0|1,0,1]=4 2556 B14R0.393 CCCC(C)OCCCCCCCCO 7a_100000764384_100000033203 [0,1,1,0,0,0|1,0,1]=4 2557 B14R0.393 CCCC/C=C/COCOC(=O)CCC 34a_200016272032_100000034017 [0,1,1,0,0,0|0,0,2]=4 2558 B14R0.393 CCCC/C=C\CCOCC(=O)CCC 7a_200016286491_100000747444 [0,1,1,0,0,0|0,0,2]=4 2559 B14R0.393 CCCCC#CCCOCC(=O)CCC 7a_100000037610_100000747444 [0,1,1,0,0,0|0,0,2]=4 2560 B14R0.393 CCCCC#CCOCOC(=O)CCC 34a_200000034558_100000034017 [0,1,1,0,0,0|0,0,2]=4 2561 B14R0.393 CCCCC/C=C/COCC(=O)CCC 7a_100016258190_100000747444 [0,1,1,0,0,0|0,0,2]=4 2562 B14R0.393 CCCCCC#CCOCC(=O)CCC 7a_200000033628_100000747444 [0,1,1,0,0,0|0,0,2]=4 2563 B14R0.393 CCCCCCCC=NNC(=O)CCC 4a_100000189770_100000210592 [0,1,1,0,0,0|1,0,1]=4 2564 B14R0.393 CCCCCCCCC=CC(=O)CCC 1458a_100015345288_100000210303 [0,1,1,0,0,0|1,0,0]=3 2565 B14R0.393 CCCCCCCCC=CC(=O)CCF 1458a_100015345288_100011217306 [0,1,1,0,0,0|2,0,0]=4 2566 B14R0.393 CCCCCCCCC=CC(=O)CCO 1458a_100015345288_100000211926 [0,1,1,0,0,0|2,0,0]=4 2567 B14R0.393 CCCCCCCCC=CC(=O)NCC 11a_100015525214_100015345288 [0,1,1,0,0,0|2,0,0]=4 2568 B14R0.393 CCCCCCCCC=CC(=O)NCC 240690a_100015525214_100015345288 [0,1,1,0,0,0|2,0,0]=4 2569 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [0,1,1,0,0,0|1,0,0]=3 2570 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [0,1,1,0,0,0|1,0,0]=3 2571 B14R0.393 CCCCCCCCCCC(=O)CCF 1458a_100000210375_100011217306 [0,1,1,0,0,0|2,0,0]=4 2572 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [0,1,1,0,0,0|2,0,0]=4 2573 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [0,1,1,0,0,0|2,0,0]=4 2574 B14R0.393 CCCCCCCCCCC(=O)COC 1458a_100000210968_100000210319 [0,1,1,0,0,0|2,0,0]=4 2575 B14R0.393 CCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210319 [0,1,1,0,0,0|2,0,0]=4 2576 B14R0.393 CCCCCCCCCCC(=O)NCC 11a_100015525214_100000210375 [0,1,1,0,0,0|2,0,0]=4 2577 B14R0.393 CCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210375 [0,1,1,0,0,0|2,0,0]=4 2578 B14R0.393 CCCCCCCCCNC(=O)CCC 11a_100000212291_100000211992 [0,1,1,0,0,0|1,0,0]=3 2579 B14R0.393 CCCCCCCCCNC(=O)CCC 1626a_100000212291_100000211992 [0,1,1,0,0,0|1,0,0]=3 2580 B14R0.393 CCCCCCCCCNC(=O)CCC 240690a_100000212291_100000211992 [0,1,1,0,0,0|1,0,0]=3 2581 B14R0.393 CCCCCCCCCNC(=O)CCC 527a_100000212291_100000211992 [0,1,1,0,0,0|1,0,0]=3 2582 B14R0.393 CCCCCCCCCNC(=O)CCO 240690a_100000212291_100011216618 [0,1,1,0,0,0|2,0,0]=4 2583 B14R0.393 CCCCCCCCCNC(=O)COC 11a_100000212291_100000210968 [0,1,1,0,0,0|2,0,0]=4 2584 B14R0.393 CCCCCCCCCNC(=O)COC 1626a_100000212291_100000210968 [0,1,1,0,0,0|2,0,0]=4 2585 B14R0.393 CCCCCCCCCNC(=O)COC 240690a_100000212291_100000210968 [0,1,1,0,0,0|2,0,0]=4 2586 B14R0.393 CCCCCCCCCNC(=O)COC 527a_100000212291_100000210968 [0,1,1,0,0,0|2,0,0]=4 2587 B14R0.393 CCCCCCCCCNC(=O)CSC 11a_100000212291_100000184570 [0,1,1,0,0,0|2,0,0]=4 2588 B14R0.393 CCCCCCCCCNC(=O)CSC 1626a_100000212291_100000184570 [0,1,1,0,0,0|2,0,0]=4 2589 B14R0.393 CCCCCCCCCNC(=O)CSC 240690a_100000212291_100000184570 [0,1,1,0,0,0|2,0,0]=4 2590 B14R0.393 CCCCCCCCCNC(=O)CSC 527a_100000212291_100000184570 [0,1,1,0,0,0|2,0,0]=4 2591 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100000212291_100015525214 [0,1,1,0,0,0|2,0,0]=4 2592 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100015525214_100000212291 [0,1,1,0,0,0|2,0,0]=4 2593 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100000212291_100015525214 [0,1,1,0,0,0|2,0,0]=4 2594 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100015525214_100000212291 [0,1,1,0,0,0|2,0,0]=4 2595 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100000212291_100015525214 [0,1,1,0,0,0|2,0,0]=4 2596 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100015525214_100000212291 [0,1,1,0,0,0|2,0,0]=4 2597 B14R0.393 CCCCCCCCCOC(C)CCC 34a_100000210712_100000766640 [0,1,1,0,0,0|1,0,1]=4 2598 B14R0.393 CCCCCCCCCOC(C)CCC 34a_100000764384_100011214924 [0,1,1,0,0,0|1,0,1]=4 2599 B14R0.393 CCCCCCCCCOC(C)CCC 7a_100000210712_100000766640 [0,1,1,0,0,0|1,0,1]=4 2600 B14R0.393 CCCCCCCCCOC(C)CCC 7a_100000764384_100000210328 [0,1,1,0,0,0|1,0,1]=4 2601 B14R0.393 CCCCCCCCNCC(=O)CCC 2230a_100000229939_100000747444 [0,1,1,0,0,0|1,0,0]=3 2602 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100000229939_100000183381 [0,1,1,0,0,0|2,0,0]=4 2603 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100016988866_100000210759 [0,1,1,0,0,0|2,0,0]=4 2604 B14R0.393 CCCCCCCCNCC(=O)NCC 34a_100000229939_100000183381 [0,1,1,0,0,0|2,0,0]=4 2605 B14R0.393 CCCCCCCCNCC(=O)OCC 2230a_100000229939_100000188475 [0,1,1,0,0,0|2,0,0]=4 2606 B14R0.393 CCCCCCCCNCC(=O)OCC 34a_100000229939_100000188475 [0,1,1,0,0,0|2,0,0]=4 2607 B14R0.393 CCCCCCCCOCC(=O)CC#N 1458a_100000759886_100011214920 [0,1,1,0,0,0|1,0,1]=4 2608 B14R0.393 CCCCCCCCOCC(=O)CCC 1458a_100000759886_100000210303 [0,1,1,0,0,0|0,0,0]=2 2609 B14R0.393 CCCCCCCCOCC(=O)CCC 7a_100000210232_100000747444 [0,1,1,0,0,0|0,0,0]=2 2610 B14R0.393 CCCCCCCCOCC(=O)CCF 1458a_100000759886_100011217306 [0,1,1,0,0,0|1,0,0]=3 2611 B14R0.393 CCCCCCCCOCC(=O)CCO 1458a_100000759886_100000211926 [0,1,1,0,0,0|1,0,0]=3 2612 B14R0.393 CCCCCCCCOCC(=O)NCC 11a_100015525214_100000759886 [0,1,1,0,0,0|1,0,0]=3 2613 B14R0.393 CCCCCCCCOCC(=O)NCC 240690a_100015525214_100000759886 [0,1,1,0,0,0|1,0,0]=3 2614 B14R0.393 CCCCCCCCOCC(=O)NCC 34a_100000210232_100000183381 [0,1,1,0,0,0|1,0,0]=3 2615 B14R0.393 CCCCCCCCOCC(=O)NCC 527a_100015525214_100000759886 [0,1,1,0,0,0|1,0,0]=3 2616 B14R0.393 CCCCCCCCOCC(=O)NCC 7a_100000210232_100000183381 [0,1,1,0,0,0|1,0,0]=3 2617 B14R0.393 CCCCCCCCOCC(=O)NCO 34a_100000210232_100000185155 [0,1,1,0,0,0|2,0,0]=4 2618 B14R0.393 CCCCCCCCOCC(=O)NCO 7a_100000210232_100000185155 [0,1,1,0,0,0|2,0,0]=4 2619 B14R0.393 CCCCCCCCOCC(=O)NNC 22a_100016993582_100000759886 [0,1,1,0,0,0|2,0,0]=4 2620 B14R0.393 CCCCCCCCOCC(=O)OCC 34a_100000210232_100000188475 [0,1,1,0,0,0|1,0,0]=3 2621 B14R0.393 CCCCCCCCOCC(=O)OCC 7a_100000210232_100000188475 [0,1,1,0,0,0|1,0,0]=3 2622 B14R0.393 CCCCCCCCOCC(C)CCC 34a_100000210232_100011216630 [0,1,1,0,0,0|1,0,1]=4 2623 B14R0.393 CCCCCCCCOCC(C)CCC 34a_100000688023_100000210759 [0,1,1,0,0,0|1,0,1]=4 2624 B14R0.393 CCCCCCCCOCC(C)CCC 7a_100000210232_100011216630 [0,1,1,0,0,0|1,0,1]=4 2625 B14R0.393 CCCCCCCCOCC(C)CCC 7a_100000688023_100000210759 [0,1,1,0,0,0|1,0,1]=4 2626 B14R0.393 CCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210759 [0,1,1,0,0,0|1,0,1]=4 2627 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000210759_100000747444 [0,1,1,0,0,0|0,1,0]=3 2628 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000747444_100000210317 [0,1,1,0,0,0|0,1,0]=3 2629 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000183381_100000210317 [0,1,1,0,0,0|1,1,0]=4 2630 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000210759_100000183381 [0,1,1,0,0,0|1,1,0]=4 2631 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000188475_100000210317 [0,1,1,0,0,0|1,1,0]=4 2632 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000210759_100000188475 [0,1,1,0,0,0|1,1,0]=4 2633 B14R0.393 CCCCCCCNCCC(=O)NCC 2230a_100000229938_100000737597 [0,1,1,0,0,0|2,0,0]=4 2634 B14R0.393 CCCCCCCNCCC(=O)NCC 34a_100025743525_100000210614 [0,1,1,0,0,0|2,0,0]=4 2635 B14R0.393 CCCCCCCNCCC(=O)OCC 2230a_100000229938_100011206558 [0,1,1,0,0,0|2,0,0]=4 2636 B14R0.393 CCCCCCCNCOC(=O)CCC 2230a_100000229938_100000034017 [0,1,1,0,0,0|0,0,0]=2 2637 B14R0.393 CCCCCCCOCCC(=O)NCC 7a_100000210272_100000737597 [0,1,1,0,0,0|2,0,0]=4 2638 B14R0.393 CCCCCCCOCCC(=O)OCC 34a_100000210272_100000765890 [0,1,1,0,0,0|2,0,0]=4 2639 B14R0.393 CCCCCCCOCCC(=O)OCC 7a_100000210272_100011206558 [0,1,1,0,0,0|2,0,0]=4 2640 B14R0.393 CCCCCCCOCOC(=O)CCC 34a_100000210272_100000034017 [0,1,1,0,0,0|0,0,0]=2 2641 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000210614_100000737597 [0,1,1,0,0,0|2,0,0]=4 2642 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000737597_100000210316 [0,1,1,0,0,0|2,0,0]=4 2643 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000210614_100000765890 [0,1,1,0,0,0|2,0,0]=4 2644 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000765890_100000210316 [0,1,1,0,0,0|2,0,0]=4 2645 B14R0.393 CCCCCCCSCOC(=O)CCC 62a_100000210614_100000034017 [0,1,1,0,0,0|0,0,0]=2 2646 B14R0.393 CCCCCCCSCOC(=O)OCC 62a_100000210614_100000075025 [0,1,1,0,0,0|1,0,0]=3 2647 B14R0.393 CCCCCCNCCCC(=O)OCC 2230a_100000210581_100009991533 [0,1,1,0,0,0|2,0,0]=4 2648 B14R0.393 CCCCCCOCCCC(=O)OCC 34a_100000210259_100009991533 [0,1,1,0,0,0|2,0,0]=4 2649 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100000210259_100011215271 [0,1,1,0,0,0|2,0,0]=4 2650 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100012001163_100000210314 [0,1,1,0,0,0|2,0,0]=4 2651 B14R0.393 CCCCCCOCCNC(=O)OCC 34a_100000158857_100000210314 [0,1,1,0,0,0|2,0,0]=4 2652 B14R0.393 CCCCCCOCCNC(=O)OCC 7a_100000210259_200011445536 [0,1,1,0,0,0|2,0,0]=4 2653 B14R0.393 CCCCCCOCCOC(C)CCC 34a_100000691444_100000766640 [0,1,1,0,0,0|1,0,1]=4 2654 B14R0.393 CCCCCCOCCOC(C)CCC 7a_100000691444_100000766640 [0,1,1,0,0,0|1,0,1]=4 2655 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100000210314_100009991533 [0,1,1,0,0,0|2,0,0]=4 2656 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100009991533_100000210757 [0,1,1,0,0,0|2,0,0]=4 2657 B14R0.393 CCCCCCSCCNC(=O)OCC 62a_100000210314_200011445536 [0,1,1,0,0,0|2,0,0]=4 2658 B14R0.393 CCCCCNCCCCC(=O)OCC 2230a_100000209983_100000750268 [0,1,1,0,0,0|2,0,0]=4 2659 B14R0.393 CCCCCNCCOCC(=O)NCC 34a_100000224656_100000183381 [0,1,1,0,0,0|2,0,0]=4 2660 B14R0.393 CCCCCNCCOCC(=O)OCC 2230a_100000209983_100000088970 [0,1,1,0,0,0|2,0,0]=4 2661 B14R0.393 CCCCCNCCOCC(=O)OCC 34a_100000224656_100000188475 [0,1,1,0,0,0|2,0,0]=4 2662 B14R0.393 CCCCCOCCCCC(=O)OCC 34a_100000210253_100000750268 [0,1,1,0,0,0|2,0,0]=4 2663 B14R0.393 CCCCCOCCCCC(=O)OCC 7a_100000210253_100000750268 [0,1,1,0,0,0|2,0,0]=4 2664 B14R0.393 CCCCCOCCOCC(=O)CCC 7a_100011215259_100000747444 [0,1,1,0,0,0|1,0,0]=3 2665 B14R0.393 CCCCCOCCOCC(=O)NCC 34a_100011215259_100000183381 [0,1,1,0,0,0|2,0,0]=4 2666 B14R0.393 CCCCCOCCOCC(=O)NCC 7a_100011215259_100000183381 [0,1,1,0,0,0|2,0,0]=4 2667 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100000210253_100000088970 [0,1,1,0,0,0|2,0,0]=4 2668 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100011215259_100000188475 [0,1,1,0,0,0|2,0,0]=4 2669 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100000210253_100000088970 [0,1,1,0,0,0|2,0,0]=4 2670 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100011215259_100000188475 [0,1,1,0,0,0|2,0,0]=4 2671 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000210326_100000750268 [0,1,1,0,0,0|2,0,0]=4 2672 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000750268_100000210326 [0,1,1,0,0,0|2,0,0]=4 2673 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000088970_100000210326 [0,1,1,0,0,0|2,0,0]=4 2674 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000210326_100000088970 [0,1,1,0,0,0|2,0,0]=4 2675 B14R0.393 CCCCNCCCCCC(=O)OCC 2230a_100000102301_100000755133 [0,1,1,0,0,0|2,0,0]=4 2676 B14R0.393 CCCCNCCCCCC(=O)OCC 7a_106832991798_100000755133 [0,1,1,0,0,0|2,0,0]=4 2677 B14R0.393 CCCCNCCCCOC(C)CCC 34a_200011216965_100000766640 [0,1,1,0,0,0|1,0,1]=4 2678 B14R0.393 CCCCNCCCOCC(=O)OCC 2230a_100000102301_100009893628 [0,1,1,0,0,0|2,0,0]=4 2679 B14R0.393 CCCCNCCCOCC(=O)OCC 7a_106832991798_100009893628 [0,1,1,0,0,0|2,0,0]=4 2680 B14R0.393 CCCCOCCCCCC(=O)OCC 34a_100000210227_100000755133 [0,1,1,0,0,0|2,0,0]=4 2681 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100000210227_100000755133 [0,1,1,0,0,0|2,0,0]=4 2682 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100011214988_100000210211 [0,1,1,0,0,0|2,0,0]=4 2683 B14R0.393 CCCCOCCCCOC(C)CCC 34a_200000760531_100000766640 [0,1,1,0,0,0|1,0,1]=4 2684 B14R0.393 CCCCOCCCCOC(C)CCC 7a_200000760531_100000766640 [0,1,1,0,0,0|1,0,1]=4 2685 B14R0.393 CCCCOCCCNCC(=O)CCC 2230a_200000211371_100000747444 [0,1,1,0,0,0|2,0,0]=4 2686 B14R0.393 CCCCOCCCOCC(=O)CCC 7a_200011215613_100000747444 [0,1,1,0,0,0|1,0,0]=3 2687 B14R0.393 CCCCOCCCOCC(=O)NCC 34a_200011215613_100000183381 [0,1,1,0,0,0|2,0,0]=4 2688 B14R0.393 CCCCOCCCOCC(=O)NCC 7a_200011215613_100000183381 [0,1,1,0,0,0|2,0,0]=4 2689 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_100000210227_100009893628 [0,1,1,0,0,0|2,0,0]=4 2690 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_200011215613_100000188475 [0,1,1,0,0,0|2,0,0]=4 2691 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_100000210227_100009893628 [0,1,1,0,0,0|2,0,0]=4 2692 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_200011215613_100000188475 [0,1,1,0,0,0|2,0,0]=4 2693 B14R0.393 CCCCOCCOCOC(=O)CCC 34a_100000210238_100000034017 [0,1,1,0,0,0|1,0,0]=3 2694 B14R0.393 CCCCOCCSCOC(=O)CCC 62a_100000743108_100000034017 [0,1,1,0,0,0|1,0,0]=3 2695 B14R0.393 CCCCOCCSCOC(=O)OCC 62a_100000743108_100000075025 [0,1,1,0,0,0|2,0,0]=4 2696 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000210211_100000755133 [0,1,1,0,0,0|2,0,0]=4 2697 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000755133_100000210210 [0,1,1,0,0,0|2,0,0]=4 2698 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100000210211_100009893628 [0,1,1,0,0,0|2,0,0]=4 2699 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100009893628_100000210210 [0,1,1,0,0,0|2,0,0]=4 2700 B14R0.393 CCCCSCCNCOC(=O)CCC 2230a_100025743550_100000034017 [0,1,1,0,0,0|1,0,0]=3 2701 B14R0.393 CCCCSCCOCOC(=O)CCC 34a_200000230436_100000034017 [0,1,1,0,0,0|1,0,0]=3 2702 B14R0.393 CCCOCCCCCCC(=O)OCC 34a_100000210258_100009814379 [0,1,1,0,0,0|2,0,0]=4 2703 B14R0.393 CCCOCCCNCOC(=O)CCC 2230a_100011217757_100000034017 [0,1,1,0,0,0|1,0,0]=3 2704 B14R0.393 CCCOCCCNCOC(=O)CCC 34a_100011217757_100000034017 [0,1,1,0,0,0|1,0,0]=3 2705 B14R0.393 CCCOCCOCCNC(=O)CCC 11a_200011904461_100000211992 [0,1,1,0,0,0|2,0,0]=4 2706 B14R0.393 CCCOCCOCCNC(=O)CCC 1626a_200011904461_100000211992 [0,1,1,0,0,0|2,0,0]=4 2707 B14R0.393 CCCOCCOCCNC(=O)CCC 240690a_200011904461_100000211992 [0,1,1,0,0,0|2,0,0]=4 2708 B14R0.393 CCCSCCCCCCC(=O)OCC 62a_100000210303_100009814379 [0,1,1,0,0,0|2,0,0]=4 2709 B14R0.393 CCNC(=O)CCCCCCCCCF 11a_100015525214_200009909015 [0,1,1,0,0,0|2,0,0]=4 2710 B14R0.393 CCNC(=O)CCCCCCCCCF 240690a_100015525214_200009909015 [0,1,1,0,0,0|2,0,0]=4 2711 B14R0.393 CCNC(=O)CCCCCCCCCF 527a_100015525214_200009909015 [0,1,1,0,0,0|2,0,0]=4 2712 B14R0.393 CCNC(=O)CCCCCCCCCO 240690a_100015525214_100000032657 [0,1,1,0,0,0|2,0,0]=4 2713 B14R0.393 CCNC(=O)COCCCCCCCBr 34a_100000760002_100000183381 [0,1,1,0,0,0|2,0,0]=4 2714 B14R0.393 CCNC(=O)COCCCCCCCBr 7a_100000760002_100000183381 [0,1,1,0,0,0|2,0,0]=4 2715 B14R0.393 CCNC(=O)COCCCCCCCN 34a_100011996573_100000183381 [0,1,1,0,0,0|2,0,0]=4 2716 B14R0.393 CCNC(=O)COCCCCCCOC 34a_200012092642_100000183381 [0,1,1,0,0,0|2,0,0]=4 2717 B14R0.393 CCNC(=O)COCCCCCCOC 7a_200012092642_100000183381 [0,1,1,0,0,0|2,0,0]=4 2718 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_100015525214_102515433106 [0,1,1,0,0,0|2,0,0]=4 2719 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_102515433106_100015525214 [0,1,1,0,0,0|2,0,0]=4 2720 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_100015525214_102515433106 [0,1,1,0,0,0|2,0,0]=4 2721 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_102515433106_100015525214 [0,1,1,0,0,0|2,0,0]=4 2722 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_100015525214_102515433106 [0,1,1,0,0,0|2,0,0]=4 2723 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_102515433106_100015525214 [0,1,1,0,0,0|2,0,0]=4 2724 B14R0.393 CCNCCCCCCCC(=O)OCC 2230a_100015525214_100009991516 [0,1,1,0,0,0|2,0,0]=4 2725 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [0,1,1,0,0,0|2,0,0]=4 2726 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [0,1,1,0,0,0|2,0,0]=4 2727 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [0,1,1,0,0,0|2,0,0]=4 2728 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [0,1,1,0,0,0|2,0,0]=4 2729 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [0,1,1,0,0,0|2,0,0]=4 2730 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [0,1,1,0,0,0|2,0,0]=4 2731 B14R0.393 CCOC(=O)CCCCCCCSCC 62a_100000210202_100009991516 [0,1,1,0,0,0|2,0,0]=4 2732 B14R0.393 CCOC(=O)COCCCCCCCBr 34a_100000760002_100000188475 [0,1,1,0,0,0|2,0,0]=4 2733 B14R0.393 CCOC(=O)COCCCCCCCBr 7a_100000760002_100000188475 [0,1,1,0,0,0|2,0,0]=4 2734 B14R0.393 CCOC(=O)COCCCCCCCN 34a_100011996573_100000188475 [0,1,1,0,0,0|2,0,0]=4 2735 B14R0.393 CCOC(=O)COCCCCCCOC 34a_200012092642_100000188475 [0,1,1,0,0,0|2,0,0]=4 2736 B14R0.393 CCOC(=O)COCCCCCCOC 7a_200012092642_100000188475 [0,1,1,0,0,0|2,0,0]=4 2737 B14R0.393 CCOC(=O)OCSCCCCCCF 62a_100015922095_100000075025 [0,1,1,0,0,0|2,0,0]=4 2738 B14R0.393 CCOC(=O)OCSCCCCCCO 62a_100000766143_100000075025 [0,1,1,0,0,0|2,0,0]=4 2739 B14R0.393 CCOCCCCCCCC(=O)OCC 34a_100121572206_100009991516 [0,1,1,0,0,0|2,0,0]=4 2740 B14R0.393 COCC(=O)CCCCCCCCCO 1458a_100000210968_100009813782 [0,1,1,0,0,0|2,0,0]=4 2741 B14R0.393 COCC(=O)NCCCCCCCCO 240690a_102515433106_100000210968 [0,1,1,0,0,0|2,0,0]=4 2742 B14R0.393 CSCC(=O)CCCCCCCCCO 1458a_100000184570_100009813782 [0,1,1,0,0,0|2,0,0]=4 2743 B14R0.393 CSCC(=O)NCCCCCCCCO 240690a_102515433106_100000184570 [0,1,1,0,0,0|2,0,0]=4 2744 B14R0.393 O=C(CCF)CCCCCCCCCF 1458a_200009909015_100011217306 [0,1,1,0,0,0|2,0,0]=4 2745 B14R0.393 O=C(CCO)CCCCCCCCCF 1458a_200009909015_100000211926 [0,1,1,0,0,0|2,0,0]=4 2746 B14R0.393 O=C(CCO)CCCCCCCCCO 1458a_100011216618_100009813782 [0,1,1,0,0,0|2,0,0]=4 2747 B14R0.393 O=C(CCO)NCCCCCCCCO 240690a_102515433106_100011216618 [0,1,1,0,0,0|2,0,0]=4 2748 B14R0.432 CC(C)CCCCCCNC(=O)CCO 240690a_100000211014_100011216618 [0,1,1,0,0,0|2,0,0]=4 2749 B14R0.432 CCCC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747444 [0,1,1,0,0,0|2,0,0]=4 2750 B14R0.432 CCCC(=O)COCCCCCC(C)C 7a_100011995859_100000747444 [0,1,1,0,0,0|2,0,0]=4 2751 B14R0.432 CCCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747444 [0,1,1,0,0,0|2,0,0]=4 2752 B14R0.432 CCCC(=O)CSCCCCCC(C)C 62a_100000747444_100000210682 [0,1,1,0,0,0|2,0,0]=4 2753 B14R0.432 CCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000211992 [0,1,1,0,0,0|1,0,0]=3 2754 B14R0.432 CCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000211992 [0,1,1,0,0,0|1,0,0]=3 2755 B14R0.432 CCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000211992 [0,1,1,0,0,0|1,0,0]=3 2756 B14R0.432 CCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000211992 [0,1,1,0,0,0|1,0,0]=3 2757 B14R0.432 CCCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000211992 [0,1,1,0,0,0|2,0,0]=4 2758 B14R0.432 CCCC(=O)OCNCCCOC(C)C 2230a_100000737246_100000034017 [0,1,1,0,0,0|2,0,0]=4 2759 B14R0.432 CCCC(=O)OCNCCCOC(C)C 34a_100000737246_100000034017 [0,1,1,0,0,0|2,0,0]=4 2760 B14R0.432 CCCC(=O)OCOCCCCC(C)C 34a_100011214890_100000034017 [0,1,1,0,0,0|1,0,0]=3 2761 B14R0.432 CCCC(=O)OCOCCCNC(C)C 34a_100000182298_100000034017 [0,1,1,0,0,0|2,0,0]=4 2762 B14R0.432 CCCC(=O)OCOCCNCC(C)C 34a_100015185251_100000034017 [0,1,1,0,0,0|2,0,0]=4 2763 B14R0.432 CCCC(=O)OCOCCOCC(C)C 34a_100000703358_100000034017 [0,1,1,0,0,0|2,0,0]=4 2764 B14R0.432 CCCC(=O)OCOCCSCC(C)C 34a_200000230437_100000034017 [0,1,1,0,0,0|2,0,0]=4 2765 B14R0.432 CCCC(=O)OCSCCCCC(=O)C 62a_100000735457_100000034017 [0,1,1,0,0,0|1,0,1]=4 2766 B14R0.432 CCCC(=O)OCSCCCCC(C)C 62a_100011216152_100000034017 [0,1,1,0,0,0|1,0,0]=3 2767 B14R0.432 CCNC(=O)NCCCCCCC(C)C 2708a_100000211014_100015525214 [0,1,1,0,0,0|2,0,0]=4 2768 B14R0.432 CCNC(=O)NCCCCCCC(C)C 2708a_100015525214_100000211014 [0,1,1,0,0,0|2,0,0]=4 2769 B14R0.432 CCNC(=O)NCCCCCCC(C)C 273464a_100000211014_100015525214 [0,1,1,0,0,0|2,0,0]=4 2770 B14R0.432 CCNC(=O)NCCCCCCC(C)C 273464a_100015525214_100000211014 [0,1,1,0,0,0|2,0,0]=4 2771 B14R0.432 CCNC(=O)NCCCCCCC(C)C 512a_100000211014_100015525214 [0,1,1,0,0,0|2,0,0]=4 2772 B14R0.432 CCNC(=O)NCCCCCCC(C)C 512a_100015525214_100000211014 [0,1,1,0,0,0|2,0,0]=4 2773 B14R0.432 CCOC(=O)OCSCCCCC(C)C 62a_100011216152_100000075025 [0,1,1,0,0,0|2,0,0]=4 2774 B14R0.432 COCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210968 [0,1,1,0,0,0|2,0,0]=4 2775 B14R0.432 COCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210968 [0,1,1,0,0,0|2,0,0]=4 2776 B14R0.432 COCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210968 [0,1,1,0,0,0|2,0,0]=4 2777 B14R0.432 COCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210968 [0,1,1,0,0,0|2,0,0]=4 2778 B14R0.432 CSCC(=O)NCCCCCCC(C)C 11a_100000211014_100000184570 [0,1,1,0,0,0|2,0,0]=4 2779 B14R0.432 CSCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000184570 [0,1,1,0,0,0|2,0,0]=4 2780 B14R0.432 CSCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000184570 [0,1,1,0,0,0|2,0,0]=4 2781 B14R0.432 CSCC(=O)NCCCCCCC(C)C 527a_100000211014_100000184570 [0,1,1,0,0,0|2,0,0]=4 2782 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000210558_100000753159 [0,1,1,0,0,0|1,0,1]=4 2783 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000692101_100000210670 [0,1,1,0,0,0|1,0,1]=4 2784 B14R0.493 C#CCCC(=O)NCCCCCCCC 11a_100000229939_100000692101 [0,1,1,0,0,0|1,0,1]=4 2785 B14R0.493 C#CCCC(=O)NCCCCCCCC 1626a_100000229939_100000692101 [0,1,1,0,0,0|1,0,1]=4 2786 B14R0.493 C#CCCC(=O)NCCCCCCCC 240690a_100000229939_100000692101 [0,1,1,0,0,0|1,0,1]=4 2787 B14R0.493 C#CCCC(=O)NCCCCCCCC 527a_100000229939_100000692101 [0,1,1,0,0,0|1,0,1]=4 2788 B14R0.493 C/C=C/CC(=O)CCCCCCCCC 1458a_100000210558_100102629194 [0,1,1,0,0,0|1,0,1]=4 2789 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000210558_100000754431 [0,1,1,0,0,0|1,0,1]=4 2790 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000749702_100000210670 [0,1,1,0,0,0|1,0,1]=4 2791 B14R0.493 C=CCCC(=O)NCCCCCCCC 11a_100000229939_100000749702 [0,1,1,0,0,0|1,0,1]=4 2792 B14R0.493 C=CCCC(=O)NCCCCCCCC 1626a_100000229939_100000749702 [0,1,1,0,0,0|1,0,1]=4 2793 B14R0.493 C=CCCC(=O)NCCCCCCCC 240690a_100000229939_100000749702 [0,1,1,0,0,0|1,0,1]=4 2794 B14R0.493 C=CCCC(=O)NCCCCCCCC 527a_100000229939_100000749702 [0,1,1,0,0,0|1,0,1]=4 2795 B14R0.493 CC#CCC(=O)CCCCCCCCC 1458a_100000210558_100000748600 [0,1,1,0,0,0|1,0,1]=4 2796 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100000210558_100000070051 [0,1,1,0,0,0|1,0,1]=4 2797 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100121576822_100000210670 [0,1,1,0,0,0|1,0,1]=4 2798 B14R0.493 CC=CCC(=O)NCCCCCCCC 11a_100000229939_100121576822 [0,1,1,0,0,0|1,0,1]=4 2799 B14R0.493 CC=CCC(=O)NCCCCCCCC 1626a_100000229939_100121576822 [0,1,1,0,0,0|1,0,1]=4 2800 B14R0.493 CC=CCC(=O)NCCCCCCCC 240690a_100000229939_100121576822 [0,1,1,0,0,0|1,0,1]=4 2801 B14R0.493 CC=CCC(=O)NCCCCCCCC 527a_100000229939_100121576822 [0,1,1,0,0,0|1,0,1]=4 2802 B14R0.493 CCC#CC(=O)CCCCCCCCC 1458a_100011827653_100000210670 [0,1,1,0,0,0|1,0,1]=4 2803 B14R0.493 CCC=CC(=O)CCCCCCCCC 1458a_100000212282_100000210670 [0,1,1,0,0,0|1,0,1]=4 2804 B14R0.493 CCC=CC(=O)NCCCCCCCC 11a_100000229939_100000212282 [0,1,1,0,0,0|1,0,1]=4 2805 B14R0.493 CCC=CC(=O)NCCCCCCCC 1626a_100000229939_100000212282 [0,1,1,0,0,0|1,0,1]=4 2806 B14R0.493 CCC=CC(=O)NCCCCCCCC 240690a_100000229939_100000212282 [0,1,1,0,0,0|1,0,1]=4 2807 B14R0.493 CCCCC(=O)CCCCCCCCO 1458a_100000210183_100000033203 [0,1,1,0,0,0|2,0,0]=4 2808 B14R0.493 CCCCC(=O)NCCCCCCCO 240690a_100011996573_100000210183 [0,1,1,0,0,0|2,0,0]=4 2809 B14R0.493 CCCCCCCC=CC(=O)CCCC 1458a_200015332781_100000210211 [0,1,1,0,0,0|1,0,1]=4 2810 B14R0.493 CCCCCCCC=CC(=O)CCCF 1458a_200015332781_100011934791 [0,1,1,0,0,0|1,0,1]=4 2811 B14R0.493 CCCCCCCC=CC(=O)CCCO 1458a_200015332781_100011215043 [0,1,1,0,0,0|1,0,1]=4 2812 B14R0.493 CCCCCCCC=CC(=O)CCOC 1458a_200015332781_100000233755 [0,1,1,0,0,0|1,0,1]=4 2813 B14R0.493 CCCCCCCC=CC(=O)CCSC 1458a_200015332781_100000751147 [0,1,1,0,0,0|1,0,1]=4 2814 B14R0.493 CCCCCCCC=CC(=O)NCCC 11a_100020643023_200015332781 [0,1,1,0,0,0|1,0,1]=4 2815 B14R0.493 CCCCCCCC=CC(=O)NCCC 1626a_100020643023_200015332781 [0,1,1,0,0,0|1,0,1]=4 2816 B14R0.493 CCCCCCCC=CC(=O)NCCC 240690a_100020643023_200015332781 [0,1,1,0,0,0|1,0,1]=4 2817 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100000210558_100011215226 [0,1,1,0,0,0|1,0,1]=4 2818 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210670 [0,1,1,0,0,0|1,0,1]=4 2819 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210670 [0,1,1,0,0,0|1,0,0]=3 2820 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210558_100000210211 [0,1,1,0,0,0|1,0,0]=3 2821 B14R0.493 CCCCCCCCCC(=O)CCCF 1458a_100000210558_100011934791 [0,1,1,0,0,0|1,0,0]=3 2822 B14R0.493 CCCCCCCCCC(=O)CCCO 1458a_100000210558_100011215043 [0,1,1,0,0,0|1,0,0]=3 2823 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000210558_100000233755 [0,1,1,0,0,0|1,0,0]=3 2824 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210670 [0,1,1,0,0,0|1,0,0]=3 2825 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210670 [0,1,1,0,0,0|1,0,0]=3 2826 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000210558_100000751147 [0,1,1,0,0,0|1,0,0]=3 2827 B14R0.493 CCCCCCCCCC(=O)COCC 1458a_100000211967_100000210670 [0,1,1,0,0,0|1,0,0]=3 2828 B14R0.493 CCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210670 [0,1,1,0,0,0|1,0,0]=3 2829 B14R0.493 CCCCCCCCCC(=O)NCCC 11a_100020643023_100000210558 [0,1,1,0,0,0|1,0,0]=3 2830 B14R0.493 CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210558 [0,1,1,0,0,0|1,0,0]=3 2831 B14R0.493 CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210558 [0,1,1,0,0,0|1,0,0]=3 2832 B14R0.493 CCCCCCCCCC(=O)NCCC 527a_100020643023_100000210558 [0,1,1,0,0,0|1,0,0]=3 2833 B14R0.493 CCCCCCCCCC(=O)NCCF 11a_100000724931_100000210558 [0,1,1,0,0,0|2,0,0]=4 2834 B14R0.493 CCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210558 [0,1,1,0,0,0|2,0,0]=4 2835 B14R0.493 CCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210558 [0,1,1,0,0,0|2,0,0]=4 2836 B14R0.493 CCCCCCCCCC(=O)NCCF 527a_100000724931_100000210558 [0,1,1,0,0,0|2,0,0]=4 2837 B14R0.493 CCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210558 [0,1,1,0,0,0|2,0,0]=4 2838 B14R0.493 CCCCCCCCCC(=O)NCCO 527a_100000210304_100000210558 [0,1,1,0,0,0|2,0,0]=4 2839 B14R0.493 CCCCCCCCCC(=O)NNCC 22a_100000756455_100000210558 [0,1,1,0,0,0|2,0,0]=4 2840 B14R0.493 CCCCCCCCCC(=O)OCNC 2230a_106832991635_200010990708 [0,1,1,0,0,0|2,0,0]=4 2841 B14R0.493 CCCCCCCCCC(=O)OCNC 34a_100102657272_200010990708 [0,1,1,0,0,0|2,0,0]=4 2842 B14R0.493 CCCCCCCCCC(=O)OCNC 7a_106832991635_200010990708 [0,1,1,0,0,0|2,0,0]=4 2843 B14R0.493 CCCCCCCCCC(=O)OCOC 34a_100138415774_200010990708 [0,1,1,0,0,0|2,0,0]=4 2844 B14R0.493 CCCCCCCCCC(=O)OCSC 62a_200000210301_200010990708 [0,1,1,0,0,0|2,0,0]=4 2845 B14R0.493 CCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_200010990708 [0,1,1,0,0,0|2,0,0]=4 2846 B14R0.493 CCCCCCCCNC(=O)CCC#N 11a_100000229939_100011934036 [0,1,1,0,0,0|1,0,1]=4 2847 B14R0.493 CCCCCCCCNC(=O)CCC#N 1626a_100000229939_100011934036 [0,1,1,0,0,0|1,0,1]=4 2848 B14R0.493 CCCCCCCCNC(=O)CCC#N 240690a_100000229939_100011934036 [0,1,1,0,0,0|1,0,1]=4 2849 B14R0.493 CCCCCCCCNC(=O)CCC#N 527a_100000229939_100011934036 [0,1,1,0,0,0|1,0,1]=4 2850 B14R0.493 CCCCCCCCNC(=O)CCCC 11a_100000229939_100000210183 [0,1,1,0,0,0|1,0,0]=3 2851 B14R0.493 CCCCCCCCNC(=O)CCCC 1626a_100000229939_100000210183 [0,1,1,0,0,0|1,0,0]=3 2852 B14R0.493 CCCCCCCCNC(=O)CCCC 240690a_100000229939_100000210183 [0,1,1,0,0,0|1,0,0]=3 2853 B14R0.493 CCCCCCCCNC(=O)CCCC 527a_100000229939_100000210183 [0,1,1,0,0,0|1,0,0]=3 2854 B14R0.493 CCCCCCCCNC(=O)CCOC 11a_100000229939_100000749529 [0,1,1,0,0,0|1,0,0]=3 2855 B14R0.493 CCCCCCCCNC(=O)CCOC 1626a_100000229939_100000749529 [0,1,1,0,0,0|1,0,0]=3 2856 B14R0.493 CCCCCCCCNC(=O)CCOC 240690a_100000229939_100000749529 [0,1,1,0,0,0|1,0,0]=3 2857 B14R0.493 CCCCCCCCNC(=O)CCOC 527a_100000229939_100000749529 [0,1,1,0,0,0|1,0,0]=3 2858 B14R0.493 CCCCCCCCNC(=O)CCSC 11a_100000229939_100000174002 [0,1,1,0,0,0|1,0,0]=3 2859 B14R0.493 CCCCCCCCNC(=O)CCSC 1626a_100000229939_100000174002 [0,1,1,0,0,0|1,0,0]=3 2860 B14R0.493 CCCCCCCCNC(=O)CCSC 240690a_100000229939_100000174002 [0,1,1,0,0,0|1,0,0]=3 2861 B14R0.493 CCCCCCCCNC(=O)CCSC 527a_100000229939_100000174002 [0,1,1,0,0,0|1,0,0]=3 2862 B14R0.493 CCCCCCCCNC(=O)COCC 11a_100000229939_100000211967 [0,1,1,0,0,0|1,0,0]=3 2863 B14R0.493 CCCCCCCCNC(=O)COCC 1626a_100000229939_100000211967 [0,1,1,0,0,0|1,0,0]=3 2864 B14R0.493 CCCCCCCCNC(=O)COCC 240690a_100000229939_100000211967 [0,1,1,0,0,0|1,0,0]=3 2865 B14R0.493 CCCCCCCCNC(=O)COCC 527a_100000229939_100000211967 [0,1,1,0,0,0|1,0,0]=3 2866 B14R0.493 CCCCCCCCNC(=O)CSCC 11a_100000229939_100000230394 [0,1,1,0,0,0|1,0,0]=3 2867 B14R0.493 CCCCCCCCNC(=O)CSCC 1626a_100000229939_100000230394 [0,1,1,0,0,0|1,0,0]=3 2868 B14R0.493 CCCCCCCCNC(=O)CSCC 240690a_100000229939_100000230394 [0,1,1,0,0,0|1,0,0]=3 2869 B14R0.493 CCCCCCCCNC(=O)CSCC 527a_100000229939_100000230394 [0,1,1,0,0,0|1,0,0]=3 2870 B14R0.493 CCCCCCCCNC(=O)NCCC 2708a_100000229939_100020643023 [0,1,1,0,0,0|1,0,0]=3 2871 B14R0.493 CCCCCCCCNC(=O)NCCC 2708a_100020643023_100000229939 [0,1,1,0,0,0|1,0,0]=3 2872 B14R0.493 CCCCCCCCNC(=O)NCCC 273464a_100000229939_100020643023 [0,1,1,0,0,0|1,0,0]=3 2873 B14R0.493 CCCCCCCCNC(=O)NCCC 273464a_100020643023_100000229939 [0,1,1,0,0,0|1,0,0]=3 2874 B14R0.493 CCCCCCCCNC(=O)NCCC 512a_100000229939_100020643023 [0,1,1,0,0,0|1,0,0]=3 2875 B14R0.493 CCCCCCCCNC(=O)NCCC 512a_100020643023_100000229939 [0,1,1,0,0,0|1,0,0]=3 2876 B14R0.493 CCCCCCCCNC(=O)NCCF 2708a_100000229939_100000724931 [0,1,1,0,0,0|2,0,0]=4 2877 B14R0.493 CCCCCCCCNC(=O)NCCF 273464a_100000229939_100000724931 [0,1,1,0,0,0|2,0,0]=4 2878 B14R0.493 CCCCCCCCNC(=O)NCCF 273464a_100000724931_100000229939 [0,1,1,0,0,0|2,0,0]=4 2879 B14R0.493 CCCCCCCCNC(=O)NCCF 512a_100000229939_100000724931 [0,1,1,0,0,0|2,0,0]=4 2880 B14R0.493 CCCCCCCCNC(=O)NCCO 2708a_100000229939_100000210304 [0,1,1,0,0,0|2,0,0]=4 2881 B14R0.493 CCCCCCCCNC(=O)NCCO 273464a_100000210304_100000229939 [0,1,1,0,0,0|2,0,0]=4 2882 B14R0.493 CCCCCCCCNC(=O)NCCO 273464a_100000229939_100000210304 [0,1,1,0,0,0|2,0,0]=4 2883 B14R0.493 CCCCCCCCNC(=O)NCCO 512a_100000229939_100000210304 [0,1,1,0,0,0|2,0,0]=4 2884 B14R0.493 CCCCCCCCNC(=O)NNCC 273464a_100000229939_100000756455 [0,1,1,0,0,0|2,0,0]=4 2885 B14R0.493 CCCCCCCCNC(=O)NNCC 512a_100000229939_100000756455 [0,1,1,0,0,0|2,0,0]=4 2886 B14R0.493 CCCCCCCCNC(=O)NNCC 512a_100000756455_100000229939 [0,1,1,0,0,0|2,0,0]=4 2887 B14R0.493 CCCCCCCCOC(C)CCCC 34a_100000210232_200011215066 [0,1,1,0,0,0|1,0,1]=4 2888 B14R0.493 CCCCCCCCOC(C)CCCC 34a_100000687866_100000210759 [0,1,1,0,0,0|1,0,1]=4 2889 B14R0.493 CCCCCCCCOC(C)CCCC 7a_100000210232_200011215066 [0,1,1,0,0,0|1,0,1]=4 2890 B14R0.493 CCCCCCCCOC(C)CCCC 7a_100000687866_100000210759 [0,1,1,0,0,0|1,0,1]=4 2891 B14R0.493 CCCCCCCCOC(C)CCCCl 34a_200000718107_100000210759 [0,1,1,0,0,0|1,0,1]=4 2892 B14R0.493 CCCCCCCCOC(C)CCCCl 7a_200000718107_100000210759 [0,1,1,0,0,0|1,0,1]=4 2893 B14R0.493 CCCCCCCCOC(C)COCC 34a_100000718985_100000210759 [0,1,1,0,0,0|1,0,1]=4 2894 B14R0.493 CCCCCCCCOC(C)COCC 7a_100000718985_100000210759 [0,1,1,0,0,0|1,0,1]=4 2895 B14R0.493 CCCCCCCNCC(=O)NCCC 2230a_100000174927_100000210681 [0,1,1,0,0,0|2,0,0]=4 2896 B14R0.493 CCCCCCCNCC(=O)NCCC 2230a_100000229938_100000183358 [0,1,1,0,0,0|2,0,0]=4 2897 B14R0.493 CCCCCCCNCC(=O)OCCC 2230a_100000229938_200011215008 [0,1,1,0,0,0|2,0,0]=4 2898 B14R0.493 CCCCCCCOCC(=O)NCCC 34a_100000210272_100000183358 [0,1,1,0,0,0|2,0,0]=4 2899 B14R0.493 CCCCCCCOCC(=O)NCCC 7a_100000210272_100000183358 [0,1,1,0,0,0|2,0,0]=4 2900 B14R0.493 CCCCCCCOCC(=O)OCCC 34a_100000210272_200011215008 [0,1,1,0,0,0|2,0,0]=4 2901 B14R0.493 CCCCCCCOCC(=O)OCCC 7a_100000210272_200011215008 [0,1,1,0,0,0|2,0,0]=4 2902 B14R0.493 CCCCCCCSCC(=O)NCCC 62a_100000183358_100000210316 [0,1,1,0,0,0|2,0,0]=4 2903 B14R0.493 CCCCCCCSCC(=O)NCCC 62a_100000210614_100000183358 [0,1,1,0,0,0|2,0,0]=4 2904 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_100000210614_200011215008 [0,1,1,0,0,0|2,0,0]=4 2905 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_200011215008_100000210316 [0,1,1,0,0,0|2,0,0]=4 2906 B14R0.493 CCCCCCOCOC(=O)OCCC 34a_100000210259_200000139673 [0,1,1,0,0,0|1,0,0]=3 2907 B14R0.493 CCCCCCOCOC(=O)OCCC 7a_100000210259_200000139673 [0,1,1,0,0,0|1,0,0]=3 2908 B14R0.493 CCCCCCSCOC(=O)OCCC 62a_100000210314_200000139673 [0,1,1,0,0,0|1,0,0]=3 2909 B14R0.493 CCCCCNCCCC(=O)NCCC 2230a_100000209983_100011194427 [0,1,1,0,0,0|2,0,0]=4 2910 B14R0.493 CCCCCOCCCC(=O)NCCC 7a_100000210253_100011194427 [0,1,1,0,0,0|2,0,0]=4 2911 B14R0.493 CCCCCSCCCC(=O)NCCC 62a_100000210326_100011194427 [0,1,1,0,0,0|2,0,0]=4 2912 B14R0.493 CCCCCSCCCC(=O)NCCC 62a_100011194427_100000210326 [0,1,1,0,0,0|2,0,0]=4 2913 B14R0.493 CCCCOCCCNC(=O)CCCC 1626a_200000211371_100000210183 [0,1,1,0,0,0|2,0,0]=4 2914 B14R0.493 CCCCOCCCNC(=O)CCCC 240690a_200000211371_100000210183 [0,1,1,0,0,0|2,0,0]=4 2915 B14R0.493 CCCCOCCCNC(=O)CCCC 527a_200000211371_100000210183 [0,1,1,0,0,0|2,0,0]=4 2916 B14R0.493 CCCCOCCCNC(=O)CCOC 1626a_200000211371_100000749529 [0,1,1,0,0,0|2,0,0]=4 2917 B14R0.493 CCCCOCCCNC(=O)CCOC 240690a_200000211371_100000749529 [0,1,1,0,0,0|2,0,0]=4 2918 B14R0.493 CCCCOCCCNC(=O)CCOC 527a_200000211371_100000749529 [0,1,1,0,0,0|2,0,0]=4 2919 B14R0.493 CCCCOCCCNC(=O)CCSC 1626a_200000211371_100000174002 [0,1,1,0,0,0|2,0,0]=4 2920 B14R0.493 CCCCOCCCNC(=O)CCSC 240690a_200000211371_100000174002 [0,1,1,0,0,0|2,0,0]=4 2921 B14R0.493 CCCCOCCCNC(=O)CCSC 527a_200000211371_100000174002 [0,1,1,0,0,0|2,0,0]=4 2922 B14R0.493 CCCCOCCCNC(=O)COCC 1626a_200000211371_100000211967 [0,1,1,0,0,0|2,0,0]=4 2923 B14R0.493 CCCCOCCCNC(=O)COCC 240690a_200000211371_100000211967 [0,1,1,0,0,0|2,0,0]=4 2924 B14R0.493 CCCCOCCCNC(=O)COCC 527a_200000211371_100000211967 [0,1,1,0,0,0|2,0,0]=4 2925 B14R0.493 CCCCOCCCNC(=O)CSCC 1626a_200000211371_100000230394 [0,1,1,0,0,0|2,0,0]=4 2926 B14R0.493 CCCCOCCCNC(=O)CSCC 240690a_200000211371_100000230394 [0,1,1,0,0,0|2,0,0]=4 2927 B14R0.493 CCCCOCCCNC(=O)CSCC 527a_200000211371_100000230394 [0,1,1,0,0,0|2,0,0]=4 2928 B14R0.493 CCCCOCCCNC(=O)NCCC 2708a_100020643023_200000211371 [0,1,1,0,0,0|2,0,0]=4 2929 B14R0.493 CCCCOCCCNC(=O)NCCC 2708a_200000211371_100020643023 [0,1,1,0,0,0|2,0,0]=4 2930 B14R0.493 CCCCOCCCNC(=O)NCCC 273464a_100020643023_200000211371 [0,1,1,0,0,0|2,0,0]=4 2931 B14R0.493 CCCCOCCCNC(=O)NCCC 273464a_200000211371_100020643023 [0,1,1,0,0,0|2,0,0]=4 2932 B14R0.493 CCCCOCCCNC(=O)NCCC 512a_100020643023_200000211371 [0,1,1,0,0,0|2,0,0]=4 2933 B14R0.493 CCCCOCCCNC(=O)NCCC 512a_200000211371_100020643023 [0,1,1,0,0,0|2,0,0]=4 2934 B14R0.493 CCCCOCSCOC(=O)OCCC 62a_100011995733_200000139673 [0,1,1,0,0,0|2,0,0]=4 2935 B14R0.493 CCCNC(=O)CCCCCCCCO 240690a_100020643023_100000015970 [0,1,1,0,0,0|2,0,0]=4 2936 B14R0.493 CCCNC(=O)NCCCCCCCO 2708a_100011996573_100020643023 [0,1,1,0,0,0|2,0,0]=4 2937 B14R0.493 CCCNC(=O)NCCCCCCCO 2708a_100020643023_100011996573 [0,1,1,0,0,0|2,0,0]=4 2938 B14R0.493 CCCNC(=O)NCCCCCCCO 273464a_100011996573_100020643023 [0,1,1,0,0,0|2,0,0]=4 2939 B14R0.493 CCCNC(=O)NCCCCCCCO 273464a_100020643023_100011996573 [0,1,1,0,0,0|2,0,0]=4 2940 B14R0.493 CCCNC(=O)NCCCCCCCO 512a_100011996573_100020643023 [0,1,1,0,0,0|2,0,0]=4 2941 B14R0.493 CCCNC(=O)NCCCCCCCO 512a_100020643023_100011996573 [0,1,1,0,0,0|2,0,0]=4 2942 B14R0.493 CCCOC(=O)OCNCCCCCO 34a_100000762737_200000139673 [0,1,1,0,0,0|2,0,0]=4 2943 B14R0.493 CCCOC(=O)OCNCCCOCC 34a_100000210961_200000139673 [0,1,1,0,0,0|2,0,0]=4 2944 B14R0.493 CCCOC(=O)OCOCCCCCBr 34a_100000746331_200000139673 [0,1,1,0,0,0|2,0,0]=4 2945 B14R0.493 CCCOC(=O)OCOCCCCCBr 7a_100000746331_200000139673 [0,1,1,0,0,0|2,0,0]=4 2946 B14R0.493 CCCOC(=O)OCOCCCCCCl 34a_100000746330_200000139673 [0,1,1,0,0,0|2,0,0]=4 2947 B14R0.493 CCCOC(=O)OCOCCCCCCl 7a_100000746330_200000139673 [0,1,1,0,0,0|2,0,0]=4 2948 B14R0.493 CCCOC(=O)OCOCCCCCI 34a_200012148887_200000139673 [0,1,1,0,0,0|2,0,0]=4 2949 B14R0.493 CCCOC(=O)OCOCCCCCI 7a_200012148887_200000139673 [0,1,1,0,0,0|2,0,0]=4 2950 B14R0.493 CCCOC(=O)OCOCCCCCN 34a_100000762737_200000139673 [0,1,1,0,0,0|2,0,0]=4 2951 B14R0.493 CCCOC(=O)OCOCCCCOC 34a_100000740925_200000139673 [0,1,1,0,0,0|2,0,0]=4 2952 B14R0.493 CCCOC(=O)OCOCCCCSC 34a_100011217163_200000139673 [0,1,1,0,0,0|2,0,0]=4 2953 B14R0.493 CCCOC(=O)OCOCCCCSC 7a_100011217163_200000139673 [0,1,1,0,0,0|2,0,0]=4 2954 B14R0.493 CCCOC(=O)OCOCCCOCC 34a_100000757476_200000139673 [0,1,1,0,0,0|2,0,0]=4 2955 B14R0.493 CCCOC(=O)OCOCCCOCC 7a_100000757476_200000139673 [0,1,1,0,0,0|2,0,0]=4 2956 B14R0.493 CCCOC(=O)OCOCCCSCC 34a_100011216438_200000139673 [0,1,1,0,0,0|2,0,0]=4 2957 B14R0.493 CCCOC(=O)OCOCCCSCC 7a_100011216438_200000139673 [0,1,1,0,0,0|2,0,0]=4 2958 B14R0.493 CCCOC(=O)OCOCCSCCC 34a_200000230433_200000139673 [0,1,1,0,0,0|2,0,0]=4 2959 B14R0.493 CCCOC(=O)OCOCCSCCC 7a_200000230433_200000139673 [0,1,1,0,0,0|2,0,0]=4 2960 B14R0.493 CCCOC(=O)OCSCCCCCF 62a_100000729378_200000139673 [0,1,1,0,0,0|2,0,0]=4 2961 B14R0.493 CCCOC(=O)OCSCCCCCO 62a_100000746330_200000139673 [0,1,1,0,0,0|2,0,0]=4 2962 B14R0.493 CCCOC(=O)OCSCCCCOC 62a_100000730899_200000139673 [0,1,1,0,0,0|2,0,0]=4 2963 B14R0.493 CCCOC(=O)OCSCCCOCC 62a_100012232248_200000139673 [0,1,1,0,0,0|2,0,0]=4 2964 B14R0.493 CCCOCCNCOC(=O)OCCC 34a_100161115042_200000139673 [0,1,1,0,0,0|2,0,0]=4 2965 B14R0.493 CCCOCCOCOC(=O)OCCC 34a_100000752267_200000139673 [0,1,1,0,0,0|2,0,0]=4 2966 B14R0.493 CCCOCCOCOC(=O)OCCC 7a_100000752267_200000139673 [0,1,1,0,0,0|2,0,0]=4 2967 B14R0.493 CCCOCCSCOC(=O)OCCC 62a_100011215938_200000139673 [0,1,1,0,0,0|2,0,0]=4 2968 B14R0.493 CCOCC(=O)CCCCCCCCO 1458a_100000211967_100000033203 [0,1,1,0,0,0|2,0,0]=4 2969 B14R0.493 CCOCC(=O)NCCCCCCCO 240690a_100011996573_100000211967 [0,1,1,0,0,0|2,0,0]=4 2970 B14R0.493 CCSCC(=O)CCCCCCCCO 1458a_100000230394_100000033203 [0,1,1,0,0,0|2,0,0]=4 2971 B14R0.493 CCSCC(=O)NCCCCCCCO 240690a_100011996573_100000230394 [0,1,1,0,0,0|2,0,0]=4 2972 B14R0.493 COCCC(=O)CCCCCCCCO 1458a_100000749529_100000033203 [0,1,1,0,0,0|2,0,0]=4 2973 B14R0.493 COCCC(=O)NCCCCCCCO 240690a_100011996573_100000749529 [0,1,1,0,0,0|2,0,0]=4 2974 B14R0.493 CSCCC(=O)CCCCCCCCO 1458a_100000174002_100000033203 [0,1,1,0,0,0|2,0,0]=4 2975 B14R0.493 CSCCC(=O)NCCCCCCCO 240690a_100011996573_100000174002 [0,1,1,0,0,0|2,0,0]=4 2976 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 270084a_100000229939_100000211391 [0,1,1,0,0,0|2,0,0]=4 2977 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 274078a_100000229939_100000211391 [0,1,1,0,0,0|2,0,0]=4 2978 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 40a_100000229939_100000054278 [0,1,1,0,0,0|2,0,0]=4 2979 B14R0.1390 CCCCCCCCOC(C)(C)CCC 7a_100000748436_100000210759 [0,1,1,0,0,0|1,0,1]=4 2980 B14R0.2432 CCCC(=O)OCOC(C)CCCOC 34a_200011539412_100000034017 [0,1,1,0,0,0|2,0,0]=4 2981 B14R0.2432 CCCCCC(C)NCOC(=O)CCC 2230a_100000211957_100000034017 [0,1,1,0,0,0|1,0,0]=3 2982 B14R0.2432 CCCCCC(C)OCOC(=O)CCC 34a_100011215632_100000034017 [0,1,1,0,0,0|1,0,0]=3 2983 B14R0.2432 CCCCCC(C)SCOC(=O)CCC 62a_200011218191_100000034017 [0,1,1,0,0,0|1,0,0]=3 2984 B14R0.2432 CCCCCC(C)SCOC(=O)OCC 62a_200011218191_100000075025 [0,1,1,0,0,0|2,0,0]=4 2985 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 240690a_100015525214_100020618878 [0,1,1,0,0,0|2,0,0]=4 2986 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 527a_100015525214_100020618878 [0,1,1,0,0,0|2,0,0]=4 2987 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [0,1,1,0,0,0|1,0,1]=4 2988 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [0,1,1,0,0,0|1,0,1]=4 2989 B14R0.2 CCCCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218727 [0,1,1,0,0,0|2,0,0]=4 2990 B14R0.2 CCCCCCCC(C)OCCC(=O)C 34a_100000759926_200011218727 [0,1,1,0,0,0|2,0,0]=4 2991 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_100000759926_200011218727 [0,1,1,0,0,0|2,0,0]=4 2992 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_200011215852_100000053229 [0,1,1,0,0,0|2,0,0]=4 2993 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_100000757172_200011218727 [0,1,1,0,0,0|2,0,0]=4 2994 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_200011215852_100000731001 [0,1,1,0,0,0|2,0,0]=4 2995 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_100000757172_200011218727 [0,1,1,0,0,0|2,0,0]=4 2996 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_200011215852_100000744528 [0,1,1,0,0,0|2,0,0]=4 2997 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_100000053229_200011218727 [0,1,1,0,0,0|2,0,0]=4 2998 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_200011218727_100000053229 [0,1,1,0,0,0|2,0,0]=4 2999 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_100000744528_200011218727 [0,1,1,0,0,0|2,0,0]=4 3000 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_200011218727_100000744528 [0,1,1,0,0,0|2,0,0]=4 3001 B14R0.2 CCCCCCCN(C)CCCC(=O)C 269982a_100000228206_100011215641 [0,1,1,0,0,0|2,0,0]=4 3002 B14R0.2 CCCCCCCN(C)CCCC(=O)N 269982a_100000228206_100102525003 [0,1,1,0,0,0|2,0,0]=4 3003 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [0,1,1,0,0,0|1,0,0]=3 3004 B14R0.2 CCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210314 [0,1,1,0,0,0|1,0,1]=4 3005 B14R0.2 CCCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000743108 [0,1,1,0,0,0|2,0,0]=4 3006 B14R0.2 CN(CCCCCCF)CCCC(=O)O 269956a_100000719178_100015922095 [0,1,1,0,0,0|2,0,0]=4 3007 B14R0.2 CN(CCCCCCO)CCCC(=O)O 269956a_100000719178_100000766143 [0,1,1,0,0,0|2,0,0]=4 3008 B14R0.68 CC(=O)CCCCOCCCCC(C)C 34a_100011214890_100009817362 [0,1,1,0,0,0|2,0,0]=4 3009 B14R0.68 CC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000735457 [0,1,1,0,0,0|2,0,0]=4 3010 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100000735457_100011216152 [0,1,1,0,0,0|2,0,0]=4 3011 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000735457 [0,1,1,0,0,0|2,0,0]=4 3012 B14R0.68 CC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000685027 [0,1,1,0,0,0|2,0,0]=4 3013 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100000759063_100000210682 [0,1,1,0,0,0|2,0,0]=4 3014 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000685027 [0,1,1,0,0,0|2,0,0]=4 3015 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100000759063_100000210682 [0,1,1,0,0,0|2,0,0]=4 3016 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215641 [0,1,1,0,0,0|2,0,0]=4 3017 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011215641 [0,1,1,0,0,0|2,0,0]=4 3018 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100011215641_100000210682 [0,1,1,0,0,0|2,0,0]=4 3019 B14R0.68 CC(C)CCCCCCCOCC(=O)N 34a_200000210741_100000187820 [0,1,1,0,0,0|2,0,0]=4 3020 B14R0.68 CC(C)CCCCCCCOCC(=O)N 7a_200000210741_100000187820 [0,1,1,0,0,0|2,0,0]=4 3021 B14R0.68 CC(C)CCCCCCCOCC(=O)[O-] 34a_200000210741_100020667443 [0,1,1,0,0,0|1,0,1]=4 3022 B14R0.68 CC(C)CCCCCCNCCC(=O)N 2230a_100000211014_100000744528 [0,1,1,0,0,0|2,0,0]=4 3023 B14R0.68 CC(C)CCCCCCNCCC(=O)N 34a_100000211014_100000731001 [0,1,1,0,0,0|2,0,0]=4 3024 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100000739312_100000210682 [0,1,1,0,0,0|2,0,0]=4 3025 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100011290863_100102525003 [0,1,1,0,0,0|2,0,0]=4 3026 B14R0.68 CC(C)CCCCCOCCCC(=O)N 34a_100011995859_100102525003 [0,1,1,0,0,0|2,0,0]=4 3027 B14R0.68 CC(C)CCCCCOCCCC(=O)N 7a_100011995859_100102525003 [0,1,1,0,0,0|2,0,0]=4 3028 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100000210682_100102525003 [0,1,1,0,0,0|2,0,0]=4 3029 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100102525003_100000210682 [0,1,1,0,0,0|2,0,0]=4 3030 B14R0.68 CC(C)CCCCNCCCCC(=O)N 34a_100000696515_100011216152 [0,1,1,0,0,0|2,0,0]=4 3031 B14R0.68 CC(C)CCCCNCCOCC(=O)O 269956a_100000700818_100011216152 [0,1,1,0,0,0|2,0,0]=4 3032 B14R0.68 CC(C)CCCCOCCCCC(=O)N 34a_100012022536_100011216152 [0,1,1,0,0,0|2,0,0]=4 3033 B14R0.68 CC(C)CCCCOCCCCC(=O)N 7a_100012022536_100011216152 [0,1,1,0,0,0|2,0,0]=4 3034 B14R0.68 CC(C)CCCNCCCCCC(=O)N 2230a_200000737386_100009817443 [0,1,1,0,0,0|2,0,0]=4 3035 B14R0.68 CC(C)CCCNCCCCCC(=O)N 34a_200000737386_100009817443 [0,1,1,0,0,0|2,0,0]=4 3036 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000123541_100011214892 [0,1,1,0,0,0|2,0,0]=4 3037 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000210774_100009817443 [0,1,1,0,0,0|2,0,0]=4 3038 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000123541_100011214892 [0,1,1,0,0,0|2,0,0]=4 3039 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000210774_100009817443 [0,1,1,0,0,0|2,0,0]=4 3040 B14R0.68 CC(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011214892 [0,1,1,0,0,0|1,0,1]=4 3041 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100009817443_100011214892 [0,1,1,0,0,0|2,0,0]=4 3042 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100011214892_100009817443 [0,1,1,0,0,0|2,0,0]=4 3043 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [0,1,1,0,0,0|2,0,0]=4 3044 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [0,1,1,0,0,0|2,0,0]=4 3045 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [0,1,1,0,0,0|1,0,1]=4 3046 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [0,1,1,0,0,0|2,0,0]=4 3047 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [0,1,1,0,0,0|2,0,0]=4 3048 B14R0.153 CCCCC(C)CCCCOCC(=O)N 34a_200011021034_100000187820 [0,1,1,0,0,0|2,0,0]=4 3049 B14R0.153 CCCCC(C)CCCCOCC(=O)N 7a_200011021034_100000187820 [0,1,1,0,0,0|2,0,0]=4 3050 B14R0.153 CCCCC(C)CCCCOCC(=O)[O-] 34a_200011021034_100020667443 [0,1,1,0,0,0|1,0,1]=4 3051 B14R0.153 CCCCC(C)COCCCCC(=O)C 34a_100011995851_100009817362 [0,1,1,0,0,0|2,0,0]=4 3052 B14R0.153 CCCCC(C)COCCCCC(=O)C 7a_100011995851_100000735457 [0,1,1,0,0,0|2,0,0]=4 3053 B14R0.153 CCCCC(C)NCCCCCC(=O)N 2230a_100000126638_100009817443 [0,1,1,0,0,0|2,0,0]=4 3054 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011215066 [0,1,1,0,0,0|2,0,0]=4 3055 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000687866_100009817443 [0,1,1,0,0,0|2,0,0]=4 3056 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011215066 [0,1,1,0,0,0|2,0,0]=4 3057 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000687866_100009817443 [0,1,1,0,0,0|2,0,0]=4 3058 B14R0.153 CCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011215066 [0,1,1,0,0,0|1,0,1]=4 3059 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011215066 [0,1,1,0,0,0|2,0,0]=4 3060 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_200011215066_100009817443 [0,1,1,0,0,0|2,0,0]=4 3061 B14R0.153 CCCC[C@H](N)COCCCCC(=O)C 34a_100011934283_100009817362 [0,1,1,0,0,0|2,0,0]=4 3062 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [0,1,1,0,0,0|1,0,1]=4 3063 B14R0.231 CCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211708 [0,1,1,0,0,0|2,0,0]=4 3064 B14R0.231 CCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218191 [0,1,1,0,0,0|2,0,0]=4 3065 B14R0.231 CCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218191 [0,1,1,0,0,0|2,0,0]=4 3066 B14R0.231 CCCCCC(C)OCCCCC(=O)C 34a_100011215632_100009817362 [0,1,1,0,0,0|2,0,0]=4 3067 B14R0.231 CCCCCC(C)OCCCCC(=O)C 7a_100011215632_100000735457 [0,1,1,0,0,0|2,0,0]=4 3068 B14R0.231 CCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218191 [0,1,1,0,0,0|2,0,0]=4 3069 B14R0.231 CCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218191 [0,1,1,0,0,0|2,0,0]=4 3070 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218191 [0,1,1,0,0,0|2,0,0]=4 3071 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_200011218191_100000735457 [0,1,1,0,0,0|2,0,0]=4 3072 B14R0.231 CCCCCN(C)CCCCCC(=O)N 2230a_100000223495_100009817443 [0,1,1,0,0,0|2,0,0]=4 3073 B14R0.231 CCCCCN(C)CCCCCC(=O)N 269982a_100000223495_100009817443 [0,1,1,0,0,0|2,0,0]=4 3074 B14R0.305 CCC(C)CCCCCOCCC(=O)C 7a_200000035636_100000053229 [0,1,1,0,0,0|2,0,0]=4 3075 B14R0.305 CCC(C)CCCCCOCCC(=O)N 7a_200000035636_100000744528 [0,1,1,0,0,0|2,0,0]=4 3076 B14R0.305 CCC(C)CCCOCCCCC(=O)C 7a_100011216074_100000735457 [0,1,1,0,0,0|2,0,0]=4 3077 B14R0.305 CCC(C)CCNCCCCCC(=O)N 2230a_100020591266_100009817443 [0,1,1,0,0,0|2,0,0]=4 3078 B14R0.305 CCC(C)CCOCCCCCC(=O)N 7a_100011215188_100009817443 [0,1,1,0,0,0|2,0,0]=4 3079 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [0,1,1,0,0,0|1,0,0]=3 3080 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [0,1,1,0,0,0|2,0,0]=4 3081 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [0,1,1,0,0,0|1,0,0]=3 3082 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [0,1,1,0,0,0|2,0,0]=4 3083 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [0,1,1,0,0,0|2,0,0]=4 3084 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [0,1,1,0,0,0|2,0,0]=4 3085 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [0,1,1,0,0,0|0,0,2]=4 3086 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [0,1,1,0,0,0|2,0,0]=4 3087 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [0,1,1,0,0,0|1,0,0]=3 3088 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [0,1,1,0,0,0|1,0,0]=3 3089 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [0,1,1,0,0,0|1,0,0]=3 3090 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [0,1,1,0,0,0|0,0,0]=2 3091 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [0,1,1,0,0,0|1,0,0]=3 3092 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [0,1,1,0,0,0|1,0,0]=3 3093 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [0,1,1,0,0,0|1,0,0]=3 3094 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [0,1,1,0,0,0|1,0,1]=4 3095 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [0,1,1,0,0,0|1,0,1]=4 3096 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [0,1,1,0,0,0|1,0,1]=4 3097 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [0,1,1,0,0,0|1,0,1]=4 3098 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [0,1,1,0,0,0|2,0,0]=4 3099 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [0,1,1,0,0,0|2,0,0]=4 3100 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [0,1,1,0,0,0|2,0,0]=4 3101 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [0,1,1,0,0,0|2,0,0]=4 3102 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [0,1,1,0,0,0|1,0,0]=3 3103 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [0,1,1,0,0,0|1,0,0]=3 3104 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [0,1,1,0,0,0|2,0,0]=4 3105 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [0,1,1,0,0,0|2,0,0]=4 3106 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [0,1,1,0,0,0|2,0,0]=4 3107 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [0,1,1,0,0,0|2,0,0]=4 3108 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [0,1,1,0,0,0|2,0,0]=4 3109 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [0,1,1,0,0,0|2,0,0]=4 3110 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [0,1,1,0,0,0|2,0,0]=4 3111 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [0,1,1,0,0,0|2,0,0]=4 3112 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [0,1,1,0,0,0|2,0,0]=4 3113 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [0,1,1,0,0,0|1,0,0]=3 3114 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [0,1,1,0,0,0|1,0,0]=3 3115 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [0,1,1,0,0,0|2,0,0]=4 3116 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [0,1,1,0,0,0|2,0,0]=4 3117 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [0,1,1,0,0,0|2,0,0]=4 3118 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [0,1,1,0,0,0|2,0,0]=4 3119 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [0,1,1,0,0,0|2,0,0]=4 3120 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [0,1,1,0,0,0|1,0,0]=3 3121 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [0,1,1,0,0,0|1,0,0]=3 3122 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [0,1,1,0,0,0|2,0,0]=4 3123 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [0,1,1,0,0,0|2,0,0]=4 3124 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [0,1,1,0,0,0|1,0,0]=3 3125 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [0,1,1,0,0,0|2,0,0]=4 3126 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [0,1,1,0,0,0|2,0,0]=4 3127 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [0,1,1,0,0,0|2,0,0]=4 3128 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [0,1,1,0,0,0|2,0,0]=4 3129 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [0,1,1,0,0,0|1,0,0]=3 3130 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [0,1,1,0,0,0|1,0,0]=3 3131 B14R0.337 CCCCCCCCOCCC(=NO)N 34a_100000749954_100000210759 [0,1,1,0,0,0|2,0,0]=4 3132 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [0,1,1,0,0,0|2,0,0]=4 3133 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [0,1,1,0,0,0|2,0,0]=4 3134 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [0,1,1,0,0,0|2,0,0]=4 3135 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [0,1,1,0,0,0|1,0,0]=3 3136 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [0,1,1,0,0,0|1,0,0]=3 3137 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [0,1,1,0,0,0|2,0,0]=4 3138 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [0,1,1,0,0,0|2,0,0]=4 3139 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [0,1,1,0,0,0|1,0,0]=3 3140 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [0,1,1,0,0,0|1,0,0]=3 3141 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [0,1,1,0,0,0|2,0,0]=4 3142 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [0,1,1,0,0,0|2,0,0]=4 3143 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [0,1,1,0,0,0|2,0,0]=4 3144 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [0,1,1,0,0,0|2,0,0]=4 3145 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [0,1,1,0,0,0|1,0,0]=3 3146 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [0,1,1,0,0,0|2,0,0]=4 3147 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [0,1,1,0,0,0|2,0,0]=4 3148 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [0,1,1,0,0,0|2,0,0]=4 3149 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [0,1,1,0,0,0|1,0,0]=3 3150 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [0,1,1,0,0,0|1,0,0]=3 3151 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [0,1,1,0,0,0|2,0,0]=4 3152 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [0,1,1,0,0,0|2,0,0]=4 3153 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [0,1,1,0,0,0|2,0,0]=4 3154 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [0,1,1,0,0,0|2,0,0]=4 3155 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [0,1,1,0,0,0|1,0,0]=3 3156 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [0,1,1,0,0,0|1,0,0]=3 3157 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [0,1,1,0,0,0|1,0,0]=3 3158 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [0,1,1,0,0,0|2,0,0]=4 3159 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [0,1,1,0,0,0|1,0,0]=3 3160 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [0,1,1,0,0,0|1,0,0]=3 3161 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [0,1,1,0,0,0|1,0,0]=3 3162 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [0,1,1,0,0,0|1,0,0]=3 3163 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [0,1,1,0,0,0|2,0,0]=4 3164 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [0,1,1,0,0,0|2,0,0]=4 3165 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [0,1,1,0,0,0|2,0,0]=4 3166 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [0,1,1,0,0,0|2,0,0]=4 3167 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [0,1,1,0,0,0|1,0,0]=3 3168 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [0,1,1,0,0,0|1,0,0]=3 3169 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [0,1,1,0,0,0|2,0,0]=4 3170 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [0,1,1,0,0,0|2,0,0]=4 3171 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [0,1,1,0,0,0|1,0,0]=3 3172 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [0,1,1,0,0,0|2,0,0]=4 3173 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [0,1,1,0,0,0|1,0,0]=3 3174 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [0,1,1,0,0,0|1,0,0]=3 3175 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [0,1,1,0,0,0|1,0,0]=3 3176 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [0,1,1,0,0,0|1,0,0]=3 3177 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [0,1,1,0,0,0|2,0,0]=4 3178 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [0,1,1,0,0,0|2,0,0]=4 3179 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [0,1,1,0,0,0|1,0,0]=3 3180 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [0,1,1,0,0,0|1,0,0]=3 3181 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [0,1,1,0,0,0|1,0,0]=3 3182 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [0,1,1,0,0,0|1,0,0]=3 3183 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [0,1,1,0,0,0|2,0,0]=4 3184 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [0,1,1,0,0,0|1,0,0]=3 3185 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [0,1,1,0,0,0|1,0,0]=3 3186 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [0,1,1,0,0,0|1,0,0]=3 3187 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [0,1,1,0,0,0|1,0,0]=3 3188 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [0,1,1,0,0,0|2,0,0]=4 3189 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [0,1,1,0,0,0|2,0,0]=4 3190 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [0,1,1,0,0,0|2,0,0]=4 3191 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [0,1,1,0,0,0|2,0,0]=4 3192 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [0,1,1,0,0,0|2,0,0]=4 3193 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [0,1,1,0,0,0|2,0,0]=4 3194 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [0,1,1,0,0,0|2,0,0]=4 3195 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [0,1,1,0,0,0|2,0,0]=4 3196 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [0,1,1,0,0,0|2,0,0]=4 3197 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [0,1,1,0,0,0|2,0,0]=4 3198 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [0,1,1,0,0,0|2,0,0]=4 3199 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [0,1,1,0,0,0|2,0,0]=4 3200 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [0,1,1,0,0,0|2,0,0]=4 3201 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [0,1,1,0,0,0|1,0,0]=3 3202 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [0,1,1,0,0,0|1,0,0]=3 3203 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [0,1,1,0,0,0|2,0,0]=4 3204 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [0,1,1,0,0,0|2,0,0]=4 3205 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [0,1,1,0,0,0|2,0,0]=4 3206 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [0,1,1,0,0,0|1,0,0]=3 3207 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [0,1,1,0,0,0|1,0,0]=3 3208 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [0,1,1,0,0,0|1,0,0]=3 3209 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [0,1,1,0,0,0|2,0,0]=4 3210 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [0,1,1,0,0,0|2,0,0]=4 3211 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [0,1,1,0,0,0|2,0,0]=4 3212 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [0,1,1,0,0,0|2,0,0]=4 3213 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [0,1,1,0,0,0|2,0,0]=4 3214 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [0,1,1,0,0,0|2,0,0]=4 3215 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [0,1,1,0,0,0|2,0,0]=4 3216 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [0,1,1,0,0,0|2,0,0]=4 3217 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [0,1,1,0,0,0|2,0,0]=4 3218 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [0,1,1,0,0,0|2,0,0]=4 3219 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [0,1,1,0,0,0|1,0,0]=3 3220 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [0,1,1,0,0,0|1,0,0]=3 3221 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [0,1,1,0,0,0|2,0,0]=4 3222 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [0,1,1,0,0,0|2,0,0]=4 3223 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [0,1,1,0,0,0|2,0,0]=4 3224 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [0,1,1,0,0,0|1,0,0]=3 3225 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [0,1,1,0,0,0|1,0,0]=3 3226 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [0,1,1,0,0,0|1,0,0]=3 3227 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [0,1,1,0,0,0|1,0,0]=3 3228 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [0,1,1,0,0,0|2,0,0]=4 3229 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [0,1,1,0,0,0|2,0,0]=4 3230 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [0,1,1,0,0,0|2,0,0]=4 3231 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [0,1,1,0,0,0|2,0,0]=4 3232 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [0,1,1,0,0,0|2,0,0]=4 3233 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [0,1,1,0,0,0|2,0,0]=4 3234 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [0,1,1,0,0,0|2,0,0]=4 3235 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [0,1,1,0,0,0|2,0,0]=4 3236 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [0,1,1,0,0,0|2,0,0]=4 3237 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [0,1,1,0,0,0|2,0,0]=4 3238 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [0,1,1,0,0,0|2,0,0]=4 3239 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [0,1,1,0,0,0|2,0,0]=4 3240 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [0,1,1,0,0,0|2,0,0]=4 3241 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [0,1,1,0,0,0|2,0,0]=4 3242 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [0,1,1,0,0,0|2,0,0]=4 3243 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [0,1,1,0,0,0|2,0,0]=4 3244 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [0,1,1,0,0,0|2,0,0]=4 3245 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [0,1,1,0,0,0|2,0,0]=4 3246 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [0,1,1,0,0,0|1,0,0]=3 3247 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [0,1,1,0,0,0|1,0,0]=3 3248 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [0,1,1,0,0,0|2,0,0]=4 3249 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [0,1,1,0,0,0|2,0,0]=4 3250 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [0,1,1,0,0,0|2,0,0]=4 3251 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [0,1,1,0,0,0|2,0,0]=4 3252 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [0,1,1,0,0,0|2,0,0]=4 3253 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [0,1,1,0,0,0|2,0,0]=4 3254 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [0,1,1,0,0,0|2,0,0]=4 3255 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [0,1,1,0,0,0|2,0,0]=4 3256 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [0,1,1,0,0,0|2,0,0]=4 3257 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [0,1,1,0,0,0|2,0,0]=4 3258 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [0,1,1,0,0,0|1,0,0]=3 3259 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [0,1,1,0,0,0|1,0,0]=3 3260 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [0,1,1,0,0,0|1,0,0]=3 3261 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [0,1,1,0,0,0|2,0,0]=4 3262 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [0,1,1,0,0,0|2,0,0]=4 3263 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [0,1,1,0,0,0|1,0,0]=3 3264 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [0,1,1,0,0,0|1,0,0]=3 3265 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [0,1,1,0,0,0|2,0,0]=4 3266 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [0,1,1,0,0,0|2,0,0]=4 3267 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [0,1,1,0,0,0|2,0,0]=4 3268 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [0,1,1,0,0,0|2,0,0]=4 3269 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [0,1,1,0,0,0|2,0,0]=4 3270 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [0,1,1,0,0,0|2,0,0]=4 3271 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [0,1,1,0,0,0|2,0,0]=4 3272 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [0,1,1,0,0,0|2,0,0]=4 3273 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [0,1,1,0,0,0|2,0,0]=4 3274 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [0,1,1,0,0,0|2,0,0]=4 3275 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [0,1,1,0,0,0|2,0,0]=4 3276 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [0,1,1,0,0,0|2,0,0]=4 3277 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [0,1,1,0,0,0|2,0,0]=4 3278 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [0,1,1,0,0,0|2,0,0]=4 3279 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [0,1,1,0,0,0|2,0,0]=4 3280 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [0,1,1,0,0,0|2,0,0]=4 3281 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [0,1,1,0,0,0|2,0,0]=4 3282 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [0,1,1,0,0,0|2,0,0]=4 3283 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [0,1,1,0,0,0|2,0,0]=4 3284 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [0,1,1,0,0,0|2,0,0]=4 3285 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [0,1,1,0,0,0|2,0,0]=4 3286 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [0,1,1,0,0,0|2,0,0]=4 3287 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [0,1,1,0,0,0|2,0,0]=4 3288 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [0,1,1,0,0,0|2,0,0]=4 3289 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [0,1,1,0,0,0|2,0,0]=4 3290 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [0,1,1,0,0,0|2,0,0]=4 3291 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [0,1,1,0,0,0|2,0,0]=4 3292 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [0,1,1,0,0,0|2,0,0]=4 3293 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [0,1,1,0,0,0|2,0,0]=4 3294 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [0,1,1,0,0,0|2,0,0]=4 3295 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [0,1,1,0,0,0|2,0,0]=4 3296 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [0,1,1,0,0,0|2,0,0]=4 3297 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [0,1,1,0,0,0|2,0,0]=4 3298 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [0,1,1,0,0,0|2,0,0]=4 3299 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [0,1,1,0,0,0|2,0,0]=4 3300 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [0,1,1,0,0,0|2,0,0]=4 3301 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [0,1,1,0,0,0|2,0,0]=4 3302 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [0,1,1,0,0,0|2,0,0]=4 3303 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [0,1,1,0,0,0|2,0,0]=4 3304 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [0,1,1,0,0,0|2,0,0]=4 3305 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [0,1,1,0,0,0|2,0,0]=4 3306 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [0,1,1,0,0,0|2,0,0]=4 3307 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [0,1,1,0,0,0|2,0,0]=4 3308 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [0,1,1,0,0,0|2,0,0]=4 3309 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [0,1,1,0,0,0|2,0,0]=4 3310 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [0,1,1,0,0,0|2,0,0]=4 3311 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [0,1,1,0,0,0|2,0,0]=4 3312 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [0,1,1,0,0,0|2,0,0]=4 3313 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [0,1,1,0,0,0|2,0,0]=4 3314 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [0,1,1,0,0,0|2,0,0]=4 3315 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [0,1,1,0,0,0|2,0,0]=4 3316 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [0,1,1,0,0,0|2,0,0]=4 3317 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [0,1,1,0,0,0|2,0,0]=4 3318 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [0,1,1,0,0,0|2,0,0]=4 3319 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [0,1,1,0,0,0|2,0,0]=4 3320 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [0,1,1,0,0,0|2,0,0]=4 3321 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [0,1,1,0,0,0|2,0,0]=4 3322 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [0,1,1,0,0,0|2,0,0]=4 3323 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [0,1,1,0,0,0|2,0,0]=4 3324 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [0,1,1,0,0,0|2,0,0]=4 3325 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [0,1,1,0,0,0|2,0,0]=4 3326 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [0,1,1,0,0,0|2,0,0]=4 3327 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [0,1,1,0,0,0|2,0,0]=4 3328 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [0,1,1,0,0,0|2,0,0]=4 3329 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [0,1,1,0,0,0|2,0,0]=4 3330 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [0,1,1,0,0,0|2,0,0]=4 3331 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [0,1,1,0,0,0|2,0,0]=4 3332 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [0,1,1,0,0,0|2,0,0]=4 3333 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [0,1,1,0,0,0|2,0,0]=4 3334 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [0,1,1,0,0,0|2,0,0]=4 3335 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [0,1,1,0,0,0|2,0,0]=4 3336 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [0,1,1,0,0,0|2,0,0]=4 3337 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [0,1,1,0,0,0|2,0,0]=4 3338 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [0,1,1,0,0,0|2,0,0]=4 3339 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [0,1,1,0,0,0|2,0,0]=4 3340 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [0,1,1,0,0,0|2,0,0]=4 3341 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [0,1,1,0,0,0|2,0,0]=4 3342 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [0,1,1,0,0,0|2,0,0]=4 3343 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [0,1,1,0,0,0|2,0,0]=4 3344 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [0,1,1,0,0,0|2,0,0]=4 3345 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [0,1,1,0,0,0|2,0,0]=4 3346 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [0,1,1,0,0,0|2,0,0]=4 3347 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [0,1,1,0,0,0|2,0,0]=4 3348 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [0,1,1,0,0,0|2,0,0]=4 3349 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [0,1,1,0,0,0|2,0,0]=4 3350 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [0,1,1,0,0,0|2,0,0]=4 3351 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [0,1,1,0,0,0|2,0,0]=4 3352 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [0,1,1,0,0,0|2,0,0]=4 3353 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [0,1,1,0,0,0|2,0,0]=4 3354 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [0,1,1,0,0,0|2,0,0]=4 3355 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [0,1,1,0,0,0|2,0,0]=4 3356 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [0,1,1,0,0,0|2,0,0]=4 3357 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [0,1,1,0,0,0|2,0,0]=4 3358 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [0,1,1,0,0,0|2,0,0]=4 3359 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [0,1,1,0,0,0|2,0,0]=4 3360 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [0,1,1,0,0,0|2,0,0]=4 3361 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [0,1,1,0,0,0|2,0,0]=4 3362 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [0,1,1,0,0,0|2,0,0]=4 3363 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [0,1,1,0,0,0|2,0,0]=4 3364 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [0,1,1,0,0,0|2,0,0]=4 3365 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [0,1,1,0,0,0|2,0,0]=4 3366 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [0,1,1,0,0,0|2,0,0]=4 3367 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [0,1,1,0,0,0|2,0,0]=4 3368 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [0,1,1,0,0,0|2,0,0]=4 3369 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [0,1,1,0,0,0|2,0,0]=4 3370 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [0,1,1,0,0,0|2,0,0]=4 3371 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [0,1,1,0,0,0|2,0,0]=4 3372 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [0,1,1,0,0,0|2,0,0]=4 3373 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [0,1,1,0,0,0|2,0,0]=4 3374 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [0,1,1,0,0,0|1,0,0]=3 3375 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [0,1,1,0,0,0|2,0,0]=4 3376 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [0,1,1,0,0,0|2,0,0]=4 3377 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [0,1,1,0,0,0|2,0,0]=4 3378 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [0,1,1,0,0,0|2,0,0]=4 3379 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [0,1,1,0,0,0|2,0,0]=4 3380 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [0,1,1,0,0,0|2,0,0]=4 3381 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [0,1,1,0,0,0|2,0,0]=4 3382 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [0,1,1,0,0,0|2,0,0]=4 3383 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [0,1,1,0,0,0|2,0,0]=4 3384 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [0,1,1,0,0,0|2,0,0]=4 3385 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [0,1,1,0,0,0|2,0,0]=4 3386 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [0,1,1,0,0,0|2,0,0]=4 3387 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [0,1,1,0,0,0|2,0,0]=4 3388 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [0,1,1,0,0,0|2,0,0]=4 3389 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [0,1,1,0,0,0|2,0,0]=4 3390 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [0,1,1,0,0,0|2,0,0]=4 3391 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [0,1,1,0,0,0|2,0,0]=4 3392 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [0,1,1,0,0,0|2,0,0]=4 3393 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [0,1,1,0,0,0|2,0,0]=4 3394 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [0,1,1,0,0,0|2,0,0]=4 3395 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [0,1,1,0,0,0|2,0,0]=4 3396 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [0,1,1,0,0,0|2,0,0]=4 3397 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [0,1,1,0,0,0|2,0,0]=4 3398 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [0,1,1,0,0,0|2,0,0]=4 3399 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [0,1,1,0,0,0|2,0,0]=4 3400 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [0,1,1,0,0,0|1,0,0]=3 3401 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [0,1,1,0,0,0|2,0,0]=4 3402 B14R0.340 CC(CNCCCCCCCO)C(=O)O 269956a_100000749485_100000760002 [0,1,1,0,0,0|2,0,0]=4 3403 B14R0.340 CCCCCCCCCCN(C)C(=O)C 11a_100000207566_100015343762 [0,1,1,0,0,0|2,0,0]=4 3404 B14R0.340 CCCCCCCCCCN(C)C(=O)C 1626a_100000207566_100015343762 [0,1,1,0,0,0|2,0,0]=4 3405 B14R0.340 CCCCCCCCCCN(C)C(=O)C 240690a_100000207566_100015343762 [0,1,1,0,0,0|2,0,0]=4 3406 B14R0.340 CCCCCCCCCCN(C)C(=O)C 527a_100000207566_100103153847 [0,1,1,0,0,0|2,0,0]=4 3407 B14R0.340 CCCCCCCCCNC(C)C(=O)C 2230a_100000212291_100009814033 [0,1,1,0,0,0|2,0,0]=4 3408 B14R0.340 CCCCCCCCCNC(C)C(=O)N 2230a_100000212291_100000702099 [0,1,1,0,0,0|2,0,0]=4 3409 B14R0.340 CCCCCCCCCNC(C)C(=O)N 34a_100000212291_100000702099 [0,1,1,0,0,0|2,0,0]=4 3410 B14R0.340 CCCCCCCCCNC(F)C(=O)N 2230a_100000212291_100009813875 [0,1,1,0,0,0|2,0,0]=4 3411 B14R0.340 CCCCCCCCCNC(F)C(=O)N 34a_100000212291_100009813875 [0,1,1,0,0,0|2,0,0]=4 3412 B14R0.340 CCCCCCCCCNC(F)C(=O)[O-] 34a_100000212291_100020610796 [0,1,1,0,0,0|1,0,1]=4 3413 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [0,1,1,0,0,0|1,0,0]=3 3414 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011214924 [0,1,1,0,0,0|2,0,0]=4 3415 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011214924 [0,1,1,0,0,0|2,0,0]=4 3416 B14R0.340 CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011214924 [0,1,1,0,0,0|2,0,0]=4 3417 B14R0.340 CCCCCCCCCOC(C)C(=O)C 7a_100000210712_100000179758 [0,1,1,0,0,0|2,0,0]=4 3418 B14R0.340 CCCCCCCCCOC(C)C(=O)N 34a_100000210712_100000702099 [0,1,1,0,0,0|2,0,0]=4 3419 B14R0.340 CCCCCCCCCOC(C)C(=O)N 7a_100000210712_100000702099 [0,1,1,0,0,0|2,0,0]=4 3420 B14R0.340 CCCCCCCCCOC(F)C(=O)N 34a_100000210712_100009813875 [0,1,1,0,0,0|2,0,0]=4 3421 B14R0.340 CCCCCCCCCOC(F)C(=O)N 7a_100000210712_100009813875 [0,1,1,0,0,0|2,0,0]=4 3422 B14R0.340 CCCCCCCCCOC(F)C(=O)[O-] 34a_100000210712_100020610796 [0,1,1,0,0,0|1,0,1]=4 3423 B14R0.340 CCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210328 [0,1,1,0,0,0|1,0,1]=4 3424 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011214924 [0,1,1,0,0,0|2,0,0]=4 3425 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210328 [0,1,1,0,0,0|2,0,0]=4 3426 B14R0.340 CCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210670 [0,1,1,0,0,0|2,0,0]=4 3427 B14R0.340 CCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210670 [0,1,1,0,0,0|2,0,0]=4 3428 B14R0.340 CCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210670 [0,1,1,0,0,0|2,0,0]=4 3429 B14R0.340 CCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210670 [0,1,1,0,0,0|1,0,1]=4 3430 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [0,1,1,0,0,0|1,0,0]=3 3431 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [0,1,1,0,0,0|1,0,0]=3 3432 B14R0.340 CCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210759 [0,1,1,0,0,0|2,0,0]=4 3433 B14R0.340 CCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210759 [0,1,1,0,0,0|2,0,0]=4 3434 B14R0.340 CCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210759 [0,1,1,0,0,0|2,0,0]=4 3435 B14R0.340 COCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011998445 [0,1,1,0,0,0|2,0,0]=4 3436 B14R0.340 COCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011998445 [0,1,1,0,0,0|2,0,0]=4 3437 B14R0.340 C[C@H](NCCCCCCCCO)C(=O)O 269956a_100000743915_100000033203 [0,1,1,0,0,0|2,0,0]=4 3438 B14R0.340 O=C(O)C(F)CNCCCCCCCO 269956a_100000084737_100000760002 [0,1,1,0,0,0|2,0,0]=4 3439 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [0,1,1,0,0,0|1,0,1]=4 3440 B14R0.344 CCCCCCCCC(C)OCC(=O)N 34a_100000210740_100000187820 [0,1,1,0,0,0|2,0,0]=4 3441 B14R0.344 CCCCCCCCC(C)OCC(=O)N 7a_100000210740_100000187820 [0,1,1,0,0,0|2,0,0]=4 3442 B14R0.344 CCCCCCCCC(C)OCC(=O)[O-] 34a_100000210740_100020667443 [0,1,1,0,0,0|1,0,1]=4 3443 B14R0.344 CCCCCCCCN(C)CCC(=O)C 269982a_100000207567_100000053229 [0,1,1,0,0,0|2,0,0]=4 3444 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000207567_100000744528 [0,1,1,0,0,0|2,0,0]=4 3445 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210759 [0,1,1,0,0,0|2,0,0]=4 3446 B14R0.344 CCCCCCCCN(C)CCC(=O)N 269982a_100000207567_100000744528 [0,1,1,0,0,0|2,0,0]=4 3447 B14R0.394 C=C(Br)CCOCCCCCCCCC 34a_100009813270_100011214924 [0,1,1,0,0,0|2,0,0]=4 3448 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [0,1,1,0,0,0|2,0,0]=4 3449 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [0,1,1,0,0,0|2,0,0]=4 3450 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [0,1,1,0,0,0|2,0,0]=4 3451 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [0,1,1,0,0,0|2,0,0]=4 3452 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [0,1,1,0,0,0|2,0,0]=4 3453 B14R0.394 C=C(C)CCSCCCCCCCCC 62a_100000730704_100000210670 [0,1,1,0,0,0|2,0,0]=4 3454 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [0,1,1,0,0,0|2,0,0]=4 3455 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [0,1,1,0,0,0|2,0,0]=4 3456 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [0,1,1,0,0,0|2,0,0]=4 3457 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [0,1,1,0,0,0|2,0,0]=4 3458 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [0,1,1,0,0,0|2,0,0]=4 3459 B14R0.394 C=C(C)CSCCCCCCCCCC 62a_100000748629_100000210320 [0,1,1,0,0,0|2,0,0]=4 3460 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [0,1,1,0,0,0|2,0,0]=4 3461 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [0,1,1,0,0,0|2,0,0]=4 3462 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [0,1,1,0,0,0|2,0,0]=4 3463 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [0,1,1,0,0,0|2,0,0]=4 3464 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [0,1,1,0,0,0|2,0,0]=4 3465 B14R0.394 C=C(F)CSCCCCCCCCCC 62a_100000042424_100000210320 [0,1,1,0,0,0|2,0,0]=4 3466 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [0,1,1,0,0,0|1,0,1]=4 3467 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [0,1,1,0,0,0|0,0,2]=4 3468 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [0,1,1,0,0,0|1,0,0]=3 3469 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [0,1,1,0,0,0|2,0,0]=4 3470 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [0,1,1,0,0,0|2,0,0]=4 3471 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [0,1,1,0,0,0|2,0,0]=4 3472 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [0,1,1,0,0,0|2,0,0]=4 3473 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [0,1,1,0,0,0|2,0,0]=4 3474 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [0,1,1,0,0,0|2,0,0]=4 3475 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [0,1,1,0,0,0|2,0,0]=4 3476 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [0,1,1,0,0,0|2,0,0]=4 3477 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [0,1,1,0,0,0|2,0,0]=4 3478 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [0,1,1,0,0,0|2,0,0]=4 3479 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [0,1,1,0,0,0|2,0,0]=4 3480 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [0,1,1,0,0,0|2,0,0]=4 3481 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [0,1,1,0,0,0|2,0,0]=4 3482 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [0,1,1,0,0,0|2,0,0]=4 3483 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [0,1,1,0,0,0|2,0,0]=4 3484 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [0,1,1,0,0,0|2,0,0]=4 3485 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [0,1,1,0,0,0|2,0,0]=4 3486 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [0,1,1,0,0,0|2,0,0]=4 3487 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [0,1,1,0,0,0|2,0,0]=4 3488 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [0,1,1,0,0,0|2,0,0]=4 3489 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [0,1,1,0,0,0|2,0,0]=4 3490 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [0,1,1,0,0,0|2,0,0]=4 3491 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [0,1,1,0,0,0|2,0,0]=4 3492 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [0,1,1,0,0,0|2,0,0]=4 3493 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [0,1,1,0,0,0|2,0,0]=4 3494 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [0,1,1,0,0,0|2,0,0]=4 3495 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [0,1,1,0,0,0|2,0,0]=4 3496 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [0,1,1,0,0,0|2,0,0]=4 3497 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [0,1,1,0,0,0|0,0,2]=4 3498 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [0,1,1,0,0,0|1,0,1]=4 3499 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [0,1,1,0,0,0|1,0,0]=3 3500 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [0,1,1,0,0,0|1,0,0]=3 3501 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [0,1,1,0,0,0|1,0,0]=3 3502 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [0,1,1,0,0,0|1,0,0]=3 3503 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [0,1,1,0,0,0|1,0,0]=3 3504 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [0,1,1,0,0,0|1,0,0]=3 3505 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [0,1,1,0,0,0|1,0,0]=3 3506 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [0,1,1,0,0,0|1,0,0]=3 3507 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [0,1,1,0,0,0|1,0,0]=3 3508 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [0,1,1,0,0,0|1,0,0]=3 3509 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,1,1,0,0,0|0,0,0]=2 3510 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [0,1,1,0,0,0|0,0,1]=3 3511 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [0,1,1,0,0,0|1,0,1]=4 3512 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [0,1,1,0,0,0|1,0,1]=4 3513 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [0,1,1,0,0,0|1,0,1]=4 3514 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [0,1,1,0,0,0|1,0,1]=4 3515 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [0,1,1,0,0,0|1,0,1]=4 3516 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [0,1,1,0,0,0|1,0,1]=4 3517 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [0,1,1,0,0,0|1,0,1]=4 3518 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [0,1,1,0,0,0|1,0,0]=3 3519 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [0,1,1,0,0,0|1,0,0]=3 3520 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [0,1,1,0,0,0|1,0,0]=3 3521 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [0,1,1,0,0,0|0,0,1]=3 3522 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [0,1,1,0,0,0|1,0,1]=4 3523 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [0,1,1,0,0,0|1,0,1]=4 3524 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [0,1,1,0,0,0|1,0,1]=4 3525 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [0,1,1,0,0,0|1,0,1]=4 3526 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [0,1,1,0,0,0|1,0,1]=4 3527 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [0,1,1,0,0,0|1,0,0]=3 3528 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [0,1,1,0,0,0|0,0,1]=3 3529 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [0,1,1,0,0,0|1,0,1]=4 3530 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [0,1,1,0,0,0|1,0,1]=4 3531 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [0,1,1,0,0,0|1,0,0]=3 3532 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [0,1,1,0,0,0|1,0,0]=3 3533 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [0,1,1,0,0,0|1,0,1]=4 3534 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [0,1,1,0,0,0|1,0,1]=4 3535 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [0,1,1,0,0,0|1,0,1]=4 3536 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [0,1,1,0,0,0|2,0,0]=4 3537 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,1,1,0,0,0|1,0,0]=3 3538 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [0,1,1,0,0,0|1,0,0]=3 3539 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [0,1,1,0,0,0|1,0,0]=3 3540 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [0,1,1,0,0,0|1,0,0]=3 3541 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [0,1,1,0,0,0|1,0,0]=3 3542 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [0,1,1,0,0,0|1,0,0]=3 3543 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [0,1,1,0,0,0|1,0,0]=3 3544 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [0,1,1,0,0,0|1,0,0]=3 3545 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [0,1,1,0,0,0|1,0,1]=4 3546 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [0,1,1,0,0,0|1,0,1]=4 3547 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [0,1,1,0,0,0|2,0,0]=4 3548 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [0,1,1,0,0,0|1,0,0]=3 3549 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [0,1,1,0,0,0|1,0,0]=3 3550 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [0,1,1,0,0,0|1,0,1]=4 3551 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [0,1,1,0,0,0|2,0,0]=4 3552 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [0,1,1,0,0,0|1,0,0]=3 3553 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [0,1,1,0,0,0|1,0,0]=3 3554 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [0,1,1,0,0,0|1,0,0]=3 3555 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [0,1,1,0,0,0|1,0,1]=4 3556 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [0,1,1,0,0,0|1,0,1]=4 3557 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [0,1,1,0,0,0|2,0,0]=4 3558 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [0,1,1,0,0,0|2,0,0]=4 3559 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [0,1,1,0,0,0|2,0,0]=4 3560 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [0,1,1,0,0,0|2,0,0]=4 3561 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [0,1,1,0,0,0|2,0,0]=4 3562 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [0,1,1,0,0,0|2,0,0]=4 3563 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [0,1,1,0,0,0|2,0,0]=4 3564 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [0,1,1,0,0,0|1,0,0]=3 3565 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [0,1,1,0,0,0|1,0,0]=3 3566 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [0,1,1,0,0,0|1,0,0]=3 3567 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [0,1,1,0,0,0|1,0,0]=3 3568 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [0,1,1,0,0,0|1,0,0]=3 3569 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [0,1,1,0,0,0|1,0,0]=3 3570 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [0,1,1,0,0,0|1,0,1]=4 3571 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [0,1,1,0,0,0|1,0,1]=4 3572 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [0,1,1,0,0,0|1,0,1]=4 3573 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [0,1,1,0,0,0|2,0,0]=4 3574 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [0,1,1,0,0,0|2,0,0]=4 3575 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [0,1,1,0,0,0|2,0,0]=4 3576 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [0,1,1,0,0,0|2,0,0]=4 3577 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [0,1,1,0,0,0|2,0,0]=4 3578 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [0,1,1,0,0,0|2,0,0]=4 3579 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [0,1,1,0,0,0|2,0,0]=4 3580 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [0,1,1,0,0,0|2,0,0]=4 3581 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [0,1,1,0,0,0|2,0,0]=4 3582 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [0,1,1,0,0,0|1,0,0]=3 3583 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [0,1,1,0,0,0|1,0,0]=3 3584 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [0,1,1,0,0,0|1,0,0]=3 3585 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [0,1,1,0,0,0|1,0,0]=3 3586 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [0,1,1,0,0,0|1,0,1]=4 3587 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [0,1,1,0,0,0|1,0,1]=4 3588 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [0,1,1,0,0,0|2,0,0]=4 3589 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [0,1,1,0,0,0|2,0,0]=4 3590 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [0,1,1,0,0,0|2,0,0]=4 3591 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [0,1,1,0,0,0|2,0,0]=4 3592 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [0,1,1,0,0,0|2,0,0]=4 3593 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [0,1,1,0,0,0|2,0,0]=4 3594 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [0,1,1,0,0,0|2,0,0]=4 3595 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [0,1,1,0,0,0|2,0,0]=4 3596 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [0,1,1,0,0,0|1,0,1]=4 3597 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [0,1,1,0,0,0|1,0,0]=3 3598 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [0,1,1,0,0,0|2,0,0]=4 3599 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [0,1,1,0,0,0|2,0,0]=4 3600 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [0,1,1,0,0,0|2,0,0]=4 3601 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,1,1,0,0,0|1,0,0]=3 3602 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [0,1,1,0,0,0|1,0,1]=4 3603 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [0,1,1,0,0,0|1,0,1]=4 3604 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [0,1,1,0,0,0|1,0,0]=3 3605 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [0,1,1,0,0,0|1,0,0]=3 3606 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [0,1,1,0,0,0|1,0,0]=3 3607 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [0,1,1,0,0,0|1,0,0]=3 3608 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [0,1,1,0,0,0|1,0,1]=4 3609 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [0,1,1,0,0,0|1,0,1]=4 3610 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [0,1,1,0,0,0|2,0,0]=4 3611 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [0,1,1,0,0,0|2,0,0]=4 3612 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [0,1,1,0,0,0|2,0,0]=4 3613 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [0,1,1,0,0,0|2,0,0]=4 3614 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [0,1,1,0,0,0|2,0,0]=4 3615 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [0,1,1,0,0,0|2,0,0]=4 3616 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [0,1,1,0,0,0|2,0,0]=4 3617 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [0,1,1,0,0,0|1,0,1]=4 3618 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [0,1,1,0,0,0|1,0,1]=4 3619 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [0,1,1,0,0,0|1,0,0]=3 3620 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [0,1,1,0,0,0|1,0,0]=3 3621 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [0,1,1,0,0,0|2,0,0]=4 3622 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [0,1,1,0,0,0|2,0,0]=4 3623 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [0,1,1,0,0,0|2,0,0]=4 3624 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [0,1,1,0,0,0|2,0,0]=4 3625 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [0,1,1,0,0,0|2,0,0]=4 3626 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [0,1,1,0,0,0|2,0,0]=4 3627 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [0,1,1,0,0,0|1,0,1]=4 3628 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [0,1,1,0,0,0|1,0,0]=3 3629 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [0,1,1,0,0,0|2,0,0]=4 3630 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [0,1,1,0,0,0|2,0,0]=4 3631 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [0,1,1,0,0,0|2,0,0]=4 3632 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [0,1,1,0,0,0|1,0,1]=4 3633 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [0,1,1,0,0,0|1,0,1]=4 3634 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [0,1,1,0,0,0|1,0,0]=3 3635 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [0,1,1,0,0,0|1,0,0]=3 3636 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [0,1,1,0,0,0|1,0,0]=3 3637 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [0,1,1,0,0,0|1,0,0]=3 3638 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [0,1,1,0,0,0|0,0,1]=3 3639 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [0,1,1,0,0,0|2,0,0]=4 3640 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [0,1,1,0,0,0|2,0,0]=4 3641 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [0,1,1,0,0,0|2,0,0]=4 3642 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [0,1,1,0,0,0|2,0,0]=4 3643 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [0,1,1,0,0,0|2,0,0]=4 3644 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [0,1,1,0,0,0|2,0,0]=4 3645 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [0,1,1,0,0,0|2,0,0]=4 3646 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [0,1,1,0,0,0|2,0,0]=4 3647 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [0,1,1,0,0,0|2,0,0]=4 3648 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [0,1,1,0,0,0|1,0,1]=4 3649 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [0,1,1,0,0,0|1,0,1]=4 3650 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [0,1,1,0,0,0|1,0,0]=3 3651 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [0,1,1,0,0,0|1,0,0]=3 3652 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [0,1,1,0,0,0|2,0,0]=4 3653 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [0,1,1,0,0,0|2,0,0]=4 3654 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [0,1,1,0,0,0|2,0,0]=4 3655 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [0,1,1,0,0,0|2,0,0]=4 3656 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [0,1,1,0,0,0|1,0,1]=4 3657 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [0,1,1,0,0,0|2,0,0]=4 3658 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [0,1,1,0,0,0|2,0,0]=4 3659 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [0,1,1,0,0,0|2,0,0]=4 3660 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [0,1,1,0,0,0|2,0,0]=4 3661 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [0,1,1,0,0,0|2,0,0]=4 3662 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [0,1,1,0,0,0|1,0,1]=4 3663 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [0,1,1,0,0,0|1,0,1]=4 3664 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [0,1,1,0,0,0|2,0,0]=4 3665 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [0,1,1,0,0,0|2,0,0]=4 3666 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [0,1,1,0,0,0|2,0,0]=4 3667 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [0,1,1,0,0,0|2,0,0]=4 3668 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [0,1,1,0,0,0|2,0,0]=4 3669 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [0,1,1,0,0,0|2,0,0]=4 3670 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [0,1,1,0,0,0|1,0,1]=4 3671 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [0,1,1,0,0,0|1,0,1]=4 3672 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [0,1,1,0,0,0|2,0,0]=4 3673 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [0,1,1,0,0,0|2,0,0]=4 3674 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [0,1,1,0,0,0|2,0,0]=4 3675 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [0,1,1,0,0,0|2,0,0]=4 3676 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [0,1,1,0,0,0|2,0,0]=4 3677 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,1,1,0,0,0|2,0,0]=4 3678 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [0,1,1,0,0,0|2,0,0]=4 3679 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [0,1,1,0,0,0|2,0,0]=4 3680 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [0,1,1,0,0,0|2,0,0]=4 3681 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [0,1,1,0,0,0|2,0,0]=4 3682 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [0,1,1,0,0,0|2,0,0]=4 3683 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [0,1,1,0,0,0|2,0,0]=4 3684 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [0,1,1,0,0,0|2,0,0]=4 3685 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [0,1,1,0,0,0|2,0,0]=4 3686 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [0,1,1,0,0,0|2,0,0]=4 3687 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [0,1,1,0,0,0|2,0,0]=4 3688 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,1,1,0,0,0|2,0,0]=4 3689 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [0,1,1,0,0,0|2,0,0]=4 3690 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [0,1,1,0,0,0|2,0,0]=4 3691 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [0,1,1,0,0,0|2,0,0]=4 3692 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [0,1,1,0,0,0|2,0,0]=4 3693 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [0,1,1,0,0,0|2,0,0]=4 3694 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [0,1,1,0,0,0|2,0,0]=4 3695 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [0,1,1,0,0,0|2,0,0]=4 3696 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [0,1,1,0,0,0|2,0,0]=4 3697 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [0,1,1,0,0,0|2,0,0]=4 3698 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [0,1,1,0,0,0|2,0,0]=4 3699 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [0,1,1,0,0,0|2,0,0]=4 3700 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [0,1,1,0,0,0|2,0,0]=4 3701 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [0,1,1,0,0,0|2,0,0]=4 3702 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [0,1,1,0,0,0|2,0,0]=4 3703 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [0,1,1,0,0,0|2,0,0]=4 3704 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [0,1,1,0,0,0|2,0,0]=4 3705 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [0,1,1,0,0,0|2,0,0]=4 3706 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [0,1,1,0,0,0|2,0,0]=4 3707 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [0,1,1,0,0,0|1,0,1]=4 3708 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [0,1,1,0,0,0|2,0,0]=4 3709 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [0,1,1,0,0,0|2,0,0]=4 3710 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [0,1,1,0,0,0|2,0,0]=4 3711 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [0,1,1,0,0,0|2,0,0]=4 3712 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [0,1,1,0,0,0|2,0,0]=4 3713 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [0,1,1,0,0,0|2,0,0]=4 3714 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [0,1,1,0,0,0|2,0,0]=4 3715 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [0,1,1,0,0,0|2,0,0]=4 3716 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [0,1,1,0,0,0|2,0,0]=4 3717 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [0,1,1,0,0,0|2,0,0]=4 3718 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [0,1,1,0,0,0|2,0,0]=4 3719 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [0,1,1,0,0,0|1,0,1]=4 3720 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [0,1,1,0,0,0|2,0,0]=4 3721 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [0,1,1,0,0,0|2,0,0]=4 3722 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [0,1,1,0,0,0|2,0,0]=4 3723 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [0,1,1,0,0,0|2,0,0]=4 3724 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [0,1,1,0,0,0|1,0,0]=3 3725 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [0,1,1,0,0,0|1,0,0]=3 3726 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [0,1,1,0,0,0|1,0,0]=3 3727 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [0,1,1,0,0,0|2,0,0]=4 3728 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [0,1,1,0,0,0|1,0,0]=3 3729 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [0,1,1,0,0,0|2,0,0]=4 3730 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [0,1,1,0,0,0|2,0,0]=4 3731 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [0,1,1,0,0,0|2,0,0]=4 3732 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [0,1,1,0,0,0|2,0,0]=4 3733 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [0,1,1,0,0,0|2,0,0]=4 3734 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [0,1,1,0,0,0|2,0,0]=4 3735 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [0,1,1,0,0,0|2,0,0]=4 3736 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [0,1,1,0,0,0|2,0,0]=4 3737 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [0,1,1,0,0,0|2,0,0]=4 3738 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [0,1,1,0,0,0|2,0,0]=4 3739 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [0,1,1,0,0,0|2,0,0]=4 3740 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [0,1,1,0,0,0|2,0,0]=4 3741 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [0,1,1,0,0,0|2,0,0]=4 3742 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [0,1,1,0,0,0|2,0,0]=4 3743 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [0,1,1,0,0,0|2,0,0]=4 3744 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [0,1,1,0,0,0|1,0,1]=4 3745 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [0,1,1,0,0,0|2,0,0]=4 3746 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [0,1,1,0,0,0|2,0,0]=4 3747 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [0,1,1,0,0,0|1,0,0]=3 3748 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [0,1,1,0,0,0|1,0,0]=3 3749 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [0,1,1,0,0,0|2,0,0]=4 3750 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [0,1,1,0,0,0|2,0,0]=4 3751 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [0,1,1,0,0,0|2,0,0]=4 3752 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [0,1,1,0,0,0|2,0,0]=4 3753 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [0,1,1,0,0,0|2,0,0]=4 3754 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [0,1,1,0,0,0|2,0,0]=4 3755 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [0,1,1,0,0,0|2,0,0]=4 3756 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [0,1,1,0,0,0|2,0,0]=4 3757 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [0,1,1,0,0,0|2,0,0]=4 3758 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [0,1,1,0,0,0|2,0,0]=4 3759 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [0,1,1,0,0,0|2,0,0]=4 3760 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [0,1,1,0,0,0|2,0,0]=4 3761 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [0,1,1,0,0,0|2,0,0]=4 3762 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [0,1,1,0,0,0|2,0,0]=4 3763 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [0,1,1,0,0,0|2,0,0]=4 3764 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [0,1,1,0,0,0|2,0,0]=4 3765 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [0,1,1,0,0,0|2,0,0]=4 3766 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [0,1,1,0,0,0|2,0,0]=4 3767 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [0,1,1,0,0,0|2,0,0]=4 3768 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [0,1,1,0,0,0|2,0,0]=4 3769 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [0,1,1,0,0,0|2,0,0]=4 3770 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [0,1,1,0,0,0|2,0,0]=4 3771 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [0,1,1,0,0,0|2,0,0]=4 3772 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [0,1,1,0,0,0|2,0,0]=4 3773 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [0,1,1,0,0,0|2,0,0]=4 3774 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [0,1,1,0,0,0|2,0,0]=4 3775 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [0,1,1,0,0,0|2,0,0]=4 3776 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [0,1,1,0,0,0|2,0,0]=4 3777 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [0,1,1,0,0,0|2,0,0]=4 3778 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [0,1,1,0,0,0|2,0,0]=4 3779 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [0,1,1,0,0,0|2,0,0]=4 3780 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [0,1,1,0,0,0|2,0,0]=4 3781 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [0,1,1,0,0,0|2,0,0]=4 3782 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [0,1,1,0,0,0|2,0,0]=4 3783 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [0,1,1,0,0,0|2,0,0]=4 3784 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [0,1,1,0,0,0|2,0,0]=4 3785 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [0,1,1,0,0,0|2,0,0]=4 3786 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [0,1,1,0,0,0|2,0,0]=4 3787 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [0,1,1,0,0,0|2,0,0]=4 3788 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [0,1,1,0,0,0|2,0,0]=4 3789 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [0,1,1,0,0,0|2,0,0]=4 3790 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [0,1,1,0,0,0|2,0,0]=4 3791 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [0,1,1,0,0,0|2,0,0]=4 3792 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [0,1,1,0,0,0|2,0,0]=4 3793 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [0,1,1,0,0,0|2,0,0]=4 3794 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [0,1,1,0,0,0|2,0,0]=4 3795 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [0,1,1,0,0,0|2,0,0]=4 3796 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [0,1,1,0,0,0|2,0,0]=4 3797 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [0,1,1,0,0,0|2,0,0]=4 3798 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [0,1,1,0,0,0|2,0,0]=4 3799 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [0,1,1,0,0,0|1,0,1]=4 3800 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [0,1,1,0,0,0|2,0,0]=4 3801 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [0,1,1,0,0,0|2,0,0]=4 3802 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [0,1,1,0,0,0|2,0,0]=4 3803 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,1,1,0,0,0|1,0,0]=3 3804 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,1,1,0,0,0|2,0,0]=4 3805 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,1,1,0,0,0|2,0,0]=4 3806 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,1,1,0,0,0|2,0,0]=4 3807 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [0,1,1,0,0,0|1,0,1]=4 3808 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [0,1,1,0,0,0|1,0,1]=4 3809 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [0,1,1,0,0,0|1,0,1]=4 3810 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [0,1,1,0,0,0|1,0,1]=4 3811 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [0,1,1,0,0,0|1,0,1]=4 3812 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [0,1,1,0,0,0|1,0,1]=4 3813 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [0,1,1,0,0,0|1,0,1]=4 3814 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [0,1,1,0,0,0|1,0,0]=3 3815 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [0,1,1,0,0,0|1,0,0]=3 3816 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [0,1,1,0,0,0|1,0,1]=4 3817 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 34a_200011024964_100000187820 [0,1,1,0,0,0|2,0,0]=4 3818 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 7a_200011024964_100000187820 [0,1,1,0,0,0|2,0,0]=4 3819 B14R0.2224 CCCCCCC(C)CCOCC(=O)[O-] 34a_200011024964_100020667443 [0,1,1,0,0,0|1,0,1]=4 3820 B14R0.2224 CCCCCCC(C)NCCCC(=O)C 34a_100000210919_100000685027 [0,1,1,0,0,0|2,0,0]=4 3821 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000210919_100102525003 [0,1,1,0,0,0|2,0,0]=4 3822 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000739312_100011215978 [0,1,1,0,0,0|2,0,0]=4 3823 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000210265_100000685027 [0,1,1,0,0,0|2,0,0]=4 3824 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000759063_100011215978 [0,1,1,0,0,0|2,0,0]=4 3825 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000210265_100011215641 [0,1,1,0,0,0|2,0,0]=4 3826 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000759063_100011215978 [0,1,1,0,0,0|2,0,0]=4 3827 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 34a_100000210265_100102525003 [0,1,1,0,0,0|2,0,0]=4 3828 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 7a_100000210265_100102525003 [0,1,1,0,0,0|2,0,0]=4 3829 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215641_100011215978 [0,1,1,0,0,0|2,0,0]=4 3830 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215978_100011215641 [0,1,1,0,0,0|2,0,0]=4 3831 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100011215978_100102525003 [0,1,1,0,0,0|2,0,0]=4 3832 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100102525003_100011215978 [0,1,1,0,0,0|2,0,0]=4 3833 B14R0.2224 CCCCCCN(C)CCCCC(=O)C 269982a_106256046315_100000735457 [0,1,1,0,0,0|2,0,0]=4 3834 B14R0.91 CCCCCCCN(CC)C(C)C(=O)C 2230a_100000228213_100009814033 [0,1,1,0,0,0|2,0,0]=4 3835 B14R0.91 CCCCCCCN(CC)C(C)C(=O)C 269982a_100000228213_100009814033 [0,1,1,0,0,0|2,0,0]=4 3836 B14R0.95 C#CC(C)OC(CC)CCCCCCC 34a_200011217053_200000035995 [0,1,1,0,0,0|1,0,1]=4 3837 B14R0.95 CCCCCCCC(CC)OC(C)C#N 7a_200011217053_100000703298 [0,1,1,0,0,0|1,0,1]=4 3838 B14R0.95 CCCCCCCC(CC)OC(C)CC 34a_200011217053_100011215416 [0,1,1,0,0,0|1,0,1]=4 3839 B14R0.95 CCCCCCCC(CC)OC(C)CC 7a_200011217053_100000758301 [0,1,1,0,0,0|1,0,1]=4 3840 B14R0.95 CCCCCCCC(CC)OC(C)CO 34a_200011217053_100012180447 [0,1,1,0,0,0|0,0,2]=4 3841 B14R0.95 CCCCCCCC(CC)OC(C)CO 7a_200011217053_100012180447 [0,1,1,0,0,0|0,0,2]=4 3842 B14R0.95 CCCCCCCN(CC)CC(=O)CC 269982a_100000228213_100000747405 [0,1,1,0,0,0|2,0,0]=4 3843 B14R0.95 CCCCCCCN(CC)CC(=O)NC 2230a_100000228213_100000183359 [0,1,1,0,0,0|2,0,0]=4 3844 B14R0.95 CCCCCCCN(CC)CC(=O)NC 269982a_100000228213_100000183359 [0,1,1,0,0,0|2,0,0]=4 3845 B14R0.95 CCCCCCCN(CC)CC(=O)OC 2230a_100000228213_100000747449 [0,1,1,0,0,0|2,0,0]=4 3846 B14R0.95 CCCCCCCN(CC)CC(=O)OC 269982a_100000228213_100000747449 [0,1,1,0,0,0|2,0,0]=4 3847 B14R0.95 CCCCCCC[C@H](CC(=O)OC)OC 7a_100025741431_200000210301 [0,1,1,0,0,0|2,0,0]=4 3848 B14R0.95 CCCCCCC[C@H](CC(=O)OC)O[13CH3] 7a_100025741431_200025704644 [0,1,1,0,0,0|2,0,0]=4 3849 B14R0.95 CCCCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210314 [0,1,1,0,0,0|2,0,0]=4 3850 B14R0.485 CCCCCCCC(CC)OC(C)(C)C 34a_200011217053_100000210625 [0,1,1,0,0,0|1,0,1]=4 3851 B14R0.489 CCCCCCCCC(CC)OC(C)C 34a_200011216270_100000210206 [0,1,1,0,0,0|1,0,1]=4 3852 B14R0.489 CCCCCCCCC(CC)OC(C)C 7a_200011216270_100000210206 [0,1,1,0,0,0|1,0,1]=4 3853 B14R0.489 CCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210614 [0,1,1,0,0,0|2,0,0]=4 3854 B14R0.542 CCCCCCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210757 [0,1,1,0,0,0|1,0,1]=4 3855 B14R0.87 C=CCNC(CCC)CCCCCCC 270004a_100020586998_200011216337 [0,1,1,0,0,0|2,0,0]=4 3856 B14R0.492 C/C=C/C(CCC)OCCCCCCC 34a_200016264281_100000210614 [0,1,1,0,0,0|2,0,0]=4 3857 B14R0.492 C/C=C/C(CCC)OCCCCCCC 7a_200016264281_100000210614 [0,1,1,0,0,0|2,0,0]=4 3858 B14R0.492 C=CCC(CCC)OCCCCCCC 34a_100011215139_100000210614 [0,1,1,0,0,0|2,0,0]=4 3859 B14R0.492 C=CCC(CCC)OCCCCCCC 7a_100011215139_100000210614 [0,1,1,0,0,0|2,0,0]=4 3860 B14R0.492 CCCCCCCCC(CCC)OCC 34a_200011218034_100000210202 [0,1,1,0,0,0|1,0,1]=4 3861 B14R0.492 CCCCCCCCC(CCC)OCC 7a_200011218034_100000210202 [0,1,1,0,0,0|1,0,1]=4 3862 B14R0.492 CCCCCCCCC(CCC)OCF 34a_200011218034_100015361967 [0,1,1,0,0,0|1,0,1]=4 3863 B14R0.492 CCCCCCCCC(CCC)OCF 7a_200011218034_100015361967 [0,1,1,0,0,0|1,0,1]=4 3864 B14R0.82 CCCCCCCCC(C)OC(C)CC 34a_100000210740_100011215416 [0,1,1,0,0,0|1,0,1]=4 3865 B14R0.82 CCCCCCCCC(C)OC(C)CC 7a_100000210740_100000758301 [0,1,1,0,0,0|1,0,1]=4 3866 B14R0.82 CCCCCCCCN(C)CC(=O)CC 269982a_100000207567_100000747405 [0,1,1,0,0,0|2,0,0]=4 3867 B14R0.82 CCCCCCCNC(C)CC(=O)OC 2230a_100000229938_100009817358 [0,1,1,0,0,0|2,0,0]=4 3868 B14R0.82 CCCCCCCOC(C)CC(=O)OC 34a_100000210272_100009817358 [0,1,1,0,0,0|2,0,0]=4 3869 B14R0.82 CCCCCCCOC(C)CC(=O)OC 7a_100000210272_100009817358 [0,1,1,0,0,0|2,0,0]=4 3870 B14R0.82 CCCCCCCSC(C)CC(=O)OC 62a_100000210614_100009817358 [0,1,1,0,0,0|2,0,0]=4 3871 B14R0.82 CCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210316 [0,1,1,0,0,0|2,0,0]=4 3872 B14R0.92 CCCCCCCC(C)OC(C)C(C)C 7a_100000748068_200011218727 [0,1,1,0,0,0|1,0,1]=4 3873 B14R0.92 CCCCCCCC(O)CC(=O)C(C)C 1458a_200011667753_100000210206 [0,1,1,0,0,0|2,0,0]=4 3874 B14R0.92 CCCCCCCN(C)CC(=O)C(C)C 2230a_100000228206_100000753385 [0,1,1,0,0,0|2,0,0]=4 3875 B14R0.92 CCCCCCCN(C)CC(=O)C(C)C 269982a_100000228206_100000753385 [0,1,1,0,0,0|2,0,0]=4 3876 B14R0.142 C#CC(CC)OC(C)CCCCCCC 34a_100000758843_200011218727 [0,1,1,0,0,0|1,0,1]=4 3877 B14R0.142 C#CC(CC)OC(C)CCCCCCC 7a_100000758843_200011218727 [0,1,1,0,0,0|1,0,1]=4 3878 B14R0.142 C=CC(CC)OC(C)CCCCCCC 34a_100000766422_200011218727 [0,1,1,0,0,0|1,0,1]=4 3879 B14R0.142 C=CC(CC)OC(C)CCCCCCC 7a_100000766422_200011218727 [0,1,1,0,0,0|1,0,1]=4 3880 B14R0.142 CCCCCCCC(C)OC(CC)CC 7a_100000688536_200011218727 [0,1,1,0,0,0|1,0,1]=4 3881 B14R0.142 CCCCCCCC(C)OC(CC)CC 7a_200011215852_100000210505 [0,1,1,0,0,0|1,0,1]=4 3882 B14R0.143 CCCCCCCC(C)C(=O)C(=O)NC 1458a_100011218921_200011218727 [0,1,1,0,0,0|2,0,0]=4 3883 B14R0.143 CCCCCCCN(C)C(C)C(=O)CC 2230a_100000228206_100000742827 [0,1,1,0,0,0|2,0,0]=4 3884 B14R0.143 CCCCCCCN(C)C(C)C(=O)CC 269982a_100000228206_100000742827 [0,1,1,0,0,0|2,0,0]=4 3885 B14R0.341 CCCCCCC(=O)C(C)NC(=O)CC 1458a_100000194823_100000210757 [0,1,1,0,0,0|1,0,1]=4 3886 B14R0.1820 CCCCCCCC(C)(C)OC(C)CC 7a_100000210228_200000046972 [0,1,1,0,0,0|1,0,1]=4 3887 B14R0.2120 CCCCCCCC(C)OC(C)(C)CC 7a_100000210230_200011218727 [0,1,1,0,0,0|1,0,1]=4 3888 B14R0.2120 CCCCCCCC(C)OC(C)(C)CC 7a_200011215852_100000210677 [0,1,1,0,0,0|1,0,1]=4 3889 B14R0.86 CCCCCCCN(CC)CCCC=O 2230a_100000228213_200011292268 [0,1,1,0,0,0|2,0,0]=4 3890 B14R0.86 CCCCCCCN(CC)CCCC=O 269982a_100000228213_200011292268 [0,1,1,0,0,0|2,0,0]=4 3891 B14R0.145 C=CCCCNC(C)CCCCCCC 2230a_100000700776_200011218727 [0,1,1,0,0,0|2,0,0]=4 3892 B14R0.145 C=CCCCNC(C)CCCCCCC 270004a_100000700776_100000210596 [0,1,1,0,0,0|2,0,0]=4 3893 B14R0.145 C=CCCCNC(C)CCCCCCC 34a_100000700776_200011218727 [0,1,1,0,0,0|2,0,0]=4 3894 B14R0.145 C=CCCCOC(C)CCCCCCC 34a_100000758997_200011218727 [0,1,1,0,0,0|2,0,0]=4 3895 B14R0.145 C=CCCCOC(C)CCCCCCC 34a_200011215852_100000757094 [0,1,1,0,0,0|2,0,0]=4 3896 B14R0.145 C=CCCCOC(C)CCCCCCC 7a_100000758997_200011218727 [0,1,1,0,0,0|2,0,0]=4 3897 B14R0.145 C=CCCCOC(C)CCCCCCC 7a_200011215852_100000757094 [0,1,1,0,0,0|2,0,0]=4 3898 B14R0.145 C=CCCCSC(C)CCCCCCC 62a_100011713584_200011218727 [0,1,1,0,0,0|2,0,0]=4 3899 B14R0.145 C=CCCCSC(C)CCCCCCC 62a_200011218727_100000757094 [0,1,1,0,0,0|2,0,0]=4 3900 B14R0.145 CCCCCCCC(C)OCCCC=O 7a_200011215852_200011292268 [0,1,1,0,0,0|1,0,0]=3 3901 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011218727_200011292268 [0,1,1,0,0,0|1,0,0]=3 3902 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011292268_200011218727 [0,1,1,0,0,0|1,0,0]=3 3903 B14R0.145 CCCCCCCN(C)CCCCC=O 2230a_100000228206_100000139335 [0,1,1,0,0,0|2,0,0]=4 3904 B14R0.145 CCCCCCCN(C)CCCCC=O 269982a_100000228206_100000139335 [0,1,1,0,0,0|2,0,0]=4 3905 B14R0.179 CCCCCCCCC(C)COCC=O 34a_200012125181_200009817547 [0,1,1,0,0,0|2,0,0]=4 3906 B14R0.179 CCCCCCCCC(C)COCC=O 7a_200012125181_200015260668 [0,1,1,0,0,0|2,0,0]=4 3907 B14R0.179 CCCCCCCCN(C)CCCC=O 2230a_100000207567_200011292268 [0,1,1,0,0,0|2,0,0]=4 3908 B14R0.179 CCCCCCCCN(C)CCCC=O 269982a_100000207567_200011292268 [0,1,1,0,0,0|2,0,0]=4 3909 B14R1.9 CCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210211 [1,1,0,0,0,0|2,0,0]=4 3910 B14R1.9 CCCCNCC1CCCC(=O)N1C 34a_200010383782_100000210210 [1,1,0,0,0,0|2,0,0]=4 3911 B14R1.20 CCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210326 [1,1,0,0,0,0|1,0,1]=4 3912 B14R1.32 CCCC(C)COC1CCCC(=O)C1 34a_100012613340_100011216630 [1,1,0,0,0,0|2,0,0]=4 3913 B14R1.32 CCCC(C)OCC1CCCC(=O)N1 34a_200000102386_100000766640 [1,1,0,0,0,0|2,0,0]=4 3914 B14R1.34 CCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011215066 [1,1,0,0,0,0|2,0,0]=4 3915 B14R1.148 CC(C)CCCOC1CCCC(=O)C1 34a_100012613340_100011214892 [1,1,0,0,0,0|2,0,0]=4 3916 B14R1.148 CC(C)CCOCC1CCCC(=O)N1 34a_200000102386_100000210312 [1,1,0,0,0,0|2,0,0]=4 3917 B14R1.148 CC(O)CCCOC1CCCC(=O)C1 34a_100012613340_200000718107 [1,1,0,0,0,0|2,0,0]=4 3918 B14R1.148 CC(O)CCOCC1CCCC(=O)N1 34a_200000102386_100012276601 [1,1,0,0,0,0|2,0,0]=4 3919 B14R1.1025 CCC(C)COCC1CCCC(=O)N1 34a_200000102386_100000748023 [1,1,0,0,0,0|2,0,0]=4 3920 B14R1.1025 CCC(O)COCC1CCCC(=O)N1 34a_200000102386_100011218378 [1,1,0,0,0,0|2,0,0]=4 3921 B14R1.1025 CC[C@H](C)COCC1CCCC(=O)N1 34a_200000102386_100009816398 [1,1,0,0,0,0|2,0,0]=4 3922 B14R1.38 CCCCCCC(=O)C1C=CCCC1 1458a_100102632555_100000751183 [1,1,0,0,0,0|1,0,1]=4 3923 B14R1.38 CCCCCCC(=O)C1CCCCO1 1458a_100000748299_100000210757 [1,1,0,0,0,0|0,0,2]=4 3924 B14R1.38 CCCCCCN(C)C1C=CCCC1 2230a_106256046315_100000751183 [1,1,0,0,0,0|2,0,0]=4 3925 B14R1.38 CCCCCCN(C)C1C=CCCC1 269982a_106256046315_100000751183 [1,1,0,0,0,0|2,0,0]=4 3926 B14R1.123 BrCCCCCCOC1C=CCCC1 7a_100011215345_100000751183 [1,1,0,0,0,0|2,0,0]=4 3927 B14R1.123 BrCCCCCOCC1CCCCO1 34a_100000746331_100000211543 [1,1,0,0,0,0|1,0,1]=4 3928 B14R1.123 BrCCCCCOCC1CCCCO1 7a_100000746331_100000211543 [1,1,0,0,0,0|1,0,1]=4 3929 B14R1.123 CCCCCCCNC1C=CCCC1 2230a_100000229938_100000751183 [1,1,0,0,0,0|1,0,0]=3 3930 B14R1.123 CCCCCCCNC1CCCCC1 2230a_100000182618_100000210681 [1,1,0,0,0,0|1,0,1]=4 3931 B14R1.123 CCCCCCCNC1CCCCC1 270004a_100000229938_100000210434 [1,1,0,0,0,0|1,0,1]=4 3932 B14R1.123 CCCCCCCNC1CCCCC1 34a_100000182618_100000210614 [1,1,0,0,0,0|1,0,1]=4 3933 B14R1.123 CCCCCCCNC1CCCOC1 2230a_100000719290_100000210681 [1,1,0,0,0,0|2,0,0]=4 3934 B14R1.123 CCCCCCCNC1CCCOC1 270004a_100000229938_100000753404 [1,1,0,0,0,0|2,0,0]=4 3935 B14R1.123 CCCCCCCNC1CCCOC1 34a_100000719290_100000210614 [1,1,0,0,0,0|2,0,0]=4 3936 B14R1.123 CCCCCCCNC1CCCSC1 270004a_100000229938_100000057913 [1,1,0,0,0,0|2,0,0]=4 3937 B14R1.123 CCCCCCCOC1C=CCCC1 34a_100011215024_100000210614 [1,1,0,0,0,0|1,0,0]=3 3938 B14R1.123 CCCCCCCOC1C=CCCC1 7a_100000210272_100000751183 [1,1,0,0,0,0|1,0,0]=3 3939 B14R1.123 CCCCCCCOC1CC=CCC1 34a_100000073881_100000210614 [1,1,0,0,0,0|1,0,1]=4 3940 B14R1.123 CCCCCCCOC1CCCCC1 34a_100000210231_100000210614 [1,1,0,0,0,0|1,0,1]=4 3941 B14R1.123 CCCCCCCOC1CCCCC1 34a_100000210272_100000210327 [1,1,0,0,0,0|1,0,1]=4 3942 B14R1.123 CCCCCCCOC1CCCCC1 7a_100000210231_100000210614 [1,1,0,0,0,0|1,0,1]=4 3943 B14R1.123 CCCCCCCOC1CCCCC1 7a_100000210272_100000210327 [1,1,0,0,0,0|1,0,1]=4 3944 B14R1.123 CCCCCCCOC1CCCCO1 34a_100000033831_100000210614 [1,1,0,0,0,0|0,0,1]=3 3945 B14R1.123 CCCCCCCOC1CCCOC1 34a_100000210272_100000693364 [1,1,0,0,0,0|2,0,0]=4 3946 B14R1.123 CCCCCCCOC1CCCOC1 34a_100000754041_100000210614 [1,1,0,0,0,0|2,0,0]=4 3947 B14R1.123 CCCCCCCOC1CCCOC1 7a_100000210272_100000693364 [1,1,0,0,0,0|2,0,0]=4 3948 B14R1.123 CCCCCCCOC1CCCSC1 7a_100015962668_100000210614 [1,1,0,0,0,0|2,0,0]=4 3949 B14R1.123 CCCCCCCSC1C=CCCC1 62a_100000210614_100000751183 [1,1,0,0,0,0|1,0,0]=3 3950 B14R1.123 CCCCCCCSC1C=CCCC1 62a_100000751183_100000210316 [1,1,0,0,0,0|1,0,0]=3 3951 B14R1.123 CCCCCCCSC1CCCCC1 62a_100000210327_100000210316 [1,1,0,0,0,0|1,0,1]=4 3952 B14R1.123 CCCCCCCSC1CCCCC1 62a_100000210614_100000210327 [1,1,0,0,0,0|1,0,1]=4 3953 B14R1.123 CCCCCCCSC1CCCOC1 62a_100000210614_100000693364 [1,1,0,0,0,0|2,0,0]=4 3954 B14R1.123 CCCCCCNCC1CC=CCC1 270004a_100000210581_100000189434 [1,1,0,0,0,0|1,0,1]=4 3955 B14R1.123 CCCCCCNCC1CCCCC1 2230a_100000210473_100000210314 [1,1,0,0,0,0|1,0,1]=4 3956 B14R1.123 CCCCCCNCC1CCCCC1 2230a_100000210581_100000211423 [1,1,0,0,0,0|1,0,1]=4 3957 B14R1.123 CCCCCCNCC1CCCCC1 269862a_100000210581_100000211278 [1,1,0,0,0,0|1,0,1]=4 3958 B14R1.123 CCCCCCNCC1CCCCC1 34a_100000210473_100000210314 [1,1,0,0,0,0|1,0,1]=4 3959 B14R1.123 CCCCCCNCC1CCCCO1 2230a_100000174945_100000210314 [1,1,0,0,0,0|0,0,1]=3 3960 B14R1.123 CCCCCCNCC1CCCCO1 2230a_100000210581_100000211543 [1,1,0,0,0,0|0,0,1]=3 3961 B14R1.123 CCCCCCNCC1CCCCO1 34a_100000174945_100000210314 [1,1,0,0,0,0|0,0,1]=3 3962 B14R1.123 CCCCCCNCC1CCCOC1 2230a_100000210581_100000741521 [1,1,0,0,0,0|2,0,0]=4 3963 B14R1.123 CCCCCCNCC1CCCOC1 2230a_100000720124_100000210314 [1,1,0,0,0,0|2,0,0]=4 3964 B14R1.123 CCCCCCNCC1CCCOC1 34a_100000720124_100000210314 [1,1,0,0,0,0|2,0,0]=4 3965 B14R1.123 CCCCCCNC[C@H]1COCCO1 2230a_100010981119_100000210314 [1,1,0,0,0,0|1,0,1]=4 3966 B14R1.123 CCCCCCNC[C@H]1COCCO1 34a_100010981119_100000210314 [1,1,0,0,0,0|1,0,1]=4 3967 B14R1.123 CCCCCCOCC1CC=CCC1 34a_100000210713_100000210314 [1,1,0,0,0,0|1,0,1]=4 3968 B14R1.123 CCCCCCOCC1CCC=CO1 34a_100011217868_100000210314 [1,1,0,0,0,0|0,0,1]=3 3969 B14R1.123 CCCCCCOCC1CCCCC1 34a_100000210259_100000211423 [1,1,0,0,0,0|1,0,1]=4 3970 B14R1.123 CCCCCCOCC1CCCCC1 34a_100000212181_100000210314 [1,1,0,0,0,0|1,0,1]=4 3971 B14R1.123 CCCCCCOCC1CCCCC1 7a_100000210259_100000211423 [1,1,0,0,0,0|1,0,1]=4 3972 B14R1.123 CCCCCCOCC1CCCCC1 7a_100000212181_100000210314 [1,1,0,0,0,0|1,0,1]=4 3973 B14R1.123 CCCCCCOCC1CCCCN1 34a_100000210821_100000210314 [1,1,0,0,0,0|1,0,1]=4 3974 B14R1.123 CCCCCCOCC1CCCCO1 34a_100000210259_100000211543 [1,1,0,0,0,0|0,0,1]=3 3975 B14R1.123 CCCCCCOCC1CCCCO1 34a_100000211370_100000210314 [1,1,0,0,0,0|0,0,1]=3 3976 B14R1.123 CCCCCCOCC1CCCCO1 7a_100000210259_100000211543 [1,1,0,0,0,0|0,0,1]=3 3977 B14R1.123 CCCCCCOCC1CCCCO1 7a_100000211370_100000210314 [1,1,0,0,0,0|0,0,1]=3 3978 B14R1.123 CCCCCCOCC1CCCNC1 34a_100000211344_100000210314 [1,1,0,0,0,0|2,0,0]=4 3979 B14R1.123 CCCCCCOCC1CCCOC1 34a_100000210259_100000741521 [1,1,0,0,0,0|2,0,0]=4 3980 B14R1.123 CCCCCCOCC1CCCOC1 34a_100000741520_100000210314 [1,1,0,0,0,0|2,0,0]=4 3981 B14R1.123 CCCCCCOCC1CCCOC1 7a_100000210259_100000741521 [1,1,0,0,0,0|2,0,0]=4 3982 B14R1.123 CCCCCCOC[C@@H]1CNCCO1 34a_100015189573_100000210314 [1,1,0,0,0,0|1,0,1]=4 3983 B14R1.123 CCCCCCOC[C@H]1COCCO1 34a_100009875890_100000210314 [1,1,0,0,0,0|1,0,1]=4 3984 B14R1.123 CCCCCCSCC1CCCCC1 62a_100000210314_100000211423 [1,1,0,0,0,0|1,0,1]=4 3985 B14R1.123 CCCCCCSCC1CCCCC1 62a_100000211423_100000210757 [1,1,0,0,0,0|1,0,1]=4 3986 B14R1.123 CCCCCCSCC1CCCCO1 62a_100000210314_100000211543 [1,1,0,0,0,0|0,0,1]=3 3987 B14R1.123 CCCCCCSCC1CCCCO1 62a_100000211543_100000210757 [1,1,0,0,0,0|0,0,1]=3 3988 B14R1.123 CCCCCCSCC1CCCOC1 62a_100000210314_100000741521 [1,1,0,0,0,0|2,0,0]=4 3989 B14R1.123 CCCCCCSCC1CCCOC1 62a_100000741521_100000210757 [1,1,0,0,0,0|2,0,0]=4 3990 B14R1.123 CCCCCNCCC1CCCCC1 2230a_100000209983_100012355289 [1,1,0,0,0,0|1,0,1]=4 3991 B14R1.123 CCCCCNCCC1CCCCC1 2230a_100000738074_100000210326 [1,1,0,0,0,0|1,0,1]=4 3992 B14R1.123 CCCCCNCCC1CCCCC1 270004a_100000209983_100011713444 [1,1,0,0,0,0|1,0,1]=4 3993 B14R1.123 CCCCCNCCC1CCCCC1 34a_100000738074_100000718602 [1,1,0,0,0,0|1,0,1]=4 3994 B14R1.123 CCCCCNCCC1CCCCO1 2230a_100015183643_100000210326 [1,1,0,0,0,0|0,0,1]=3 3995 B14R1.123 CCCCCNCCC1CCCCO1 34a_100015183643_100000718602 [1,1,0,0,0,0|0,0,1]=3 3996 B14R1.123 CCCCCNCCC1OCCCO1 2230a_100000209983_100000764188 [1,1,0,0,0,0|1,0,1]=4 3997 B14R1.123 CCCCCOCCC1CCCCC1 34a_100000210253_100011209188 [1,1,0,0,0,0|1,0,1]=4 3998 B14R1.123 CCCCCOCCC1CCCCC1 34a_100011217863_100000718602 [1,1,0,0,0,0|1,0,1]=4 3999 B14R1.123 CCCCCOCCC1CCCCC1 7a_100000210253_100011273959 [1,1,0,0,0,0|1,0,1]=4 4000 B14R1.123 CCCCCOCCC1CCCCC1 7a_100011217863_100000210326 [1,1,0,0,0,0|1,0,1]=4 4001 B14R1.123 CCCCCOCCC1CCCCN1 34a_100000211664_100000718602 [1,1,0,0,0,0|1,0,1]=4 4002 B14R1.123 CCCCCOCCC1CCCNC1 34a_100000752241_100000718602 [1,1,0,0,0,0|2,0,0]=4 4003 B14R1.123 CCCCCOCCC1OCCCO1 34a_100000210253_100000764188 [1,1,0,0,0,0|1,0,1]=4 4004 B14R1.123 CCCCCOCCC1OCCCO1 7a_100000210253_100000764188 [1,1,0,0,0,0|1,0,1]=4 4005 B14R1.123 CCCCCSCCC1CCCCC1 62a_100000210326_100012355289 [1,1,0,0,0,0|1,0,1]=4 4006 B14R1.123 CCCCCSCCC1CCCCC1 62a_100012355289_100000210326 [1,1,0,0,0,0|1,0,1]=4 4007 B14R1.123 CCCCCSCCC1OCCCO1 62a_100000210326_100000764188 [1,1,0,0,0,0|1,0,1]=4 4008 B14R1.123 CCCCCSCCC1OCCCO1 62a_100000764188_100000210326 [1,1,0,0,0,0|1,0,1]=4 4009 B14R1.123 CCCCNCCCC1CCCCC1 2230a_100000102301_100011713725 [1,1,0,0,0,0|1,0,1]=4 4010 B14R1.123 CCCCNCCCC1CCCCC1 2230a_100011211642_100000210211 [1,1,0,0,0,0|1,0,1]=4 4011 B14R1.123 CCCCNCCCC1CCCCC1 34a_100011211642_100000210210 [1,1,0,0,0,0|1,0,1]=4 4012 B14R1.123 CCCCNCCCC1CCCCC1 7a_106832991798_100011713725 [1,1,0,0,0,0|1,0,1]=4 4013 B14R1.123 CCCCNCCOC1CCCCO1 2230a_100000102301_100000744793 [1,1,0,0,0,0|1,0,1]=4 4014 B14R1.123 CCCCNCCOC1CCCCO1 7a_106832991798_100000744793 [1,1,0,0,0,0|1,0,1]=4 4015 B14R1.123 CCCCOCCCC1CCCCC1 34a_100000198086_100000210210 [1,1,0,0,0,0|1,0,1]=4 4016 B14R1.123 CCCCOCCCC1CCCCC1 34a_100000210227_100011713725 [1,1,0,0,0,0|1,0,1]=4 4017 B14R1.123 CCCCOCCCC1CCCCC1 7a_100000198086_100000210211 [1,1,0,0,0,0|1,0,1]=4 4018 B14R1.123 CCCCOCCCC1CCCCC1 7a_100000210227_100011713725 [1,1,0,0,0,0|1,0,1]=4 4019 B14R1.123 CCCCOCCCC1CCCCN1 34a_100011934581_100000210210 [1,1,0,0,0,0|1,0,1]=4 4020 B14R1.123 CCCCOCCCC1CCCNC1 34a_100150707839_100000210210 [1,1,0,0,0,0|2,0,0]=4 4021 B14R1.123 CCCCOCCOC1C=CCCC1 34a_100011215024_100000743108 [1,1,0,0,0,0|2,0,0]=4 4022 B14R1.123 CCCCOCCOC1C=CCCC1 7a_100000210238_100000751183 [1,1,0,0,0,0|2,0,0]=4 4023 B14R1.123 CCCCOCCOC1CCCCO1 34a_100000033831_100000743108 [1,1,0,0,0,0|1,0,1]=4 4024 B14R1.123 CCCCOCCOC1CCCCO1 34a_100000034223_100000210210 [1,1,0,0,0,0|1,0,1]=4 4025 B14R1.123 CCCCOCCOC1CCCCO1 34a_100000210227_100000744793 [1,1,0,0,0,0|1,0,1]=4 4026 B14R1.123 CCCCOCCOC1CCCCO1 7a_100000034223_100000210211 [1,1,0,0,0,0|1,0,1]=4 4027 B14R1.123 CCCCOCCOC1CCCCO1 7a_100000210227_100000744793 [1,1,0,0,0,0|1,0,1]=4 4028 B14R1.123 CCCCOCCSC1C=CCCC1 62a_100000743108_100000751183 [1,1,0,0,0,0|2,0,0]=4 4029 B14R1.123 CCCCOCCSC1C=CCCC1 62a_100000751183_100000743108 [1,1,0,0,0,0|2,0,0]=4 4030 B14R1.123 CCCCOCNCC1CCCCO1 2230a_100000174945_100011995733 [1,1,0,0,0,0|1,0,1]=4 4031 B14R1.123 CCCCOCNCC1CCCCO1 34a_100000174945_100011995733 [1,1,0,0,0,0|1,0,1]=4 4032 B14R1.123 CCCCOCOCC1CCC=CO1 34a_100011217868_100011995733 [1,1,0,0,0,0|1,0,1]=4 4033 B14R1.123 CCCCOCOCC1CCCCO1 34a_100000211370_100011995733 [1,1,0,0,0,0|1,0,1]=4 4034 B14R1.123 CCCCOCSCC1CCCCO1 62a_100000211543_100011995733 [1,1,0,0,0,0|1,0,1]=4 4035 B14R1.123 CCCCOCSCC1CCCCO1 62a_100011995733_100000211543 [1,1,0,0,0,0|1,0,1]=4 4036 B14R1.123 CCCCSCCCC1CCCCC1 62a_100000210211_100011713725 [1,1,0,0,0,0|1,0,1]=4 4037 B14R1.123 CCCCSCCCC1CCCCC1 62a_100011713725_100000210210 [1,1,0,0,0,0|1,0,1]=4 4038 B14R1.123 CCCCSCCNC1C=CCCC1 2230a_100025743550_100000751183 [1,1,0,0,0,0|2,0,0]=4 4039 B14R1.123 CCCCSCCOC1C=CCCC1 7a_200000230436_100000751183 [1,1,0,0,0,0|2,0,0]=4 4040 B14R1.123 CCCCSCCOC1CCCCO1 62a_100000210211_100000744793 [1,1,0,0,0,0|1,0,1]=4 4041 B14R1.123 CCCCSCCOC1CCCCO1 62a_100000744793_100000210210 [1,1,0,0,0,0|1,0,1]=4 4042 B14R1.123 CCCOCCCCC1CCCCC1 34a_100011215267_100000210303 [1,1,0,0,0,0|1,0,1]=4 4043 B14R1.123 CCCOCCCCC1CCCCC1 7a_100011215267_100000210303 [1,1,0,0,0,0|1,0,1]=4 4044 B14R1.123 CCCOCCCNC1C=CCCC1 2230a_100011217757_100000751183 [1,1,0,0,0,0|2,0,0]=4 4045 B14R1.123 CCCOCCCOC1CCCCO1 34a_100000210258_100000700653 [1,1,0,0,0,0|1,0,1]=4 4046 B14R1.123 CCCOCCNCC1CCCCO1 2230a_100000174945_100011215938 [1,1,0,0,0,0|1,0,1]=4 4047 B14R1.123 CCCOCCNCC1CCCCO1 2230a_100161115042_100000211543 [1,1,0,0,0,0|1,0,1]=4 4048 B14R1.123 CCCOCCNCC1CCCCO1 34a_100000174945_100011215938 [1,1,0,0,0,0|1,0,1]=4 4049 B14R1.123 CCCOCCNCC1CCCCO1 34a_100161115042_100000211543 [1,1,0,0,0,0|1,0,1]=4 4050 B14R1.123 CCCOCCOCC1CCC=CO1 34a_100011217868_100011215938 [1,1,0,0,0,0|1,0,1]=4 4051 B14R1.123 CCCOCCOCC1CCCCO1 34a_100000211370_100011215938 [1,1,0,0,0,0|1,0,1]=4 4052 B14R1.123 CCCOCCOCC1CCCCO1 34a_100000752267_100000211543 [1,1,0,0,0,0|1,0,1]=4 4053 B14R1.123 CCCOCCOCC1CCCCO1 7a_100000211370_100011215938 [1,1,0,0,0,0|1,0,1]=4 4054 B14R1.123 CCCOCCOCC1CCCCO1 7a_100000752267_100000211543 [1,1,0,0,0,0|1,0,1]=4 4055 B14R1.123 CCCOCCSCC1CCCCO1 62a_100000211543_100011215938 [1,1,0,0,0,0|1,0,1]=4 4056 B14R1.123 CCCOCCSCC1CCCCO1 62a_100011215938_100000211543 [1,1,0,0,0,0|1,0,1]=4 4057 B14R1.123 CCCSCCCOC1CCCCO1 62a_100000210303_100000700653 [1,1,0,0,0,0|1,0,1]=4 4058 B14R1.123 CCCSCCCOC1CCCCO1 62a_100000700653_100000210303 [1,1,0,0,0,0|1,0,1]=4 4059 B14R1.123 CCCSCCNCC1CCCCO1 2230a_100020603323_100000211543 [1,1,0,0,0,0|1,0,1]=4 4060 B14R1.123 CCCSCCOCC1CCCCO1 34a_200000230433_100000211543 [1,1,0,0,0,0|1,0,1]=4 4061 B14R1.123 CCCSCCOCC1CCCCO1 7a_200000230433_100000211543 [1,1,0,0,0,0|1,0,1]=4 4062 B14R1.123 CCNCCCCOC1CCCCO1 2230a_100015525214_100000031530 [1,1,0,0,0,0|1,0,1]=4 4063 B14R1.123 CCOCCCCOC1CCCCO1 34a_100121572206_100000031530 [1,1,0,0,0,0|1,0,1]=4 4064 B14R1.123 CCOCCCNCC1CCCCO1 2230a_100000174945_100012232248 [1,1,0,0,0,0|1,0,1]=4 4065 B14R1.123 CCOCCCNCC1CCCCO1 2230a_100000210961_100000211543 [1,1,0,0,0,0|1,0,1]=4 4066 B14R1.123 CCOCCCNCC1CCCCO1 34a_100000174945_100012232248 [1,1,0,0,0,0|1,0,1]=4 4067 B14R1.123 CCOCCCNCC1CCCCO1 34a_100000210961_100000211543 [1,1,0,0,0,0|1,0,1]=4 4068 B14R1.123 CCOCCCOCC1CCC=CO1 34a_100011217868_100012232248 [1,1,0,0,0,0|1,0,1]=4 4069 B14R1.123 CCOCCCOCC1CCCCO1 34a_100000211370_100012232248 [1,1,0,0,0,0|1,0,1]=4 4070 B14R1.123 CCOCCCOCC1CCCCO1 34a_100000757476_100000211543 [1,1,0,0,0,0|1,0,1]=4 4071 B14R1.123 CCOCCCOCC1CCCCO1 7a_100000211370_100012232248 [1,1,0,0,0,0|1,0,1]=4 4072 B14R1.123 CCOCCCOCC1CCCCO1 7a_100000757476_100000211543 [1,1,0,0,0,0|1,0,1]=4 4073 B14R1.123 CCOCCCSCC1CCCCO1 62a_100000211543_100012232248 [1,1,0,0,0,0|1,0,1]=4 4074 B14R1.123 CCOCCCSCC1CCCCO1 62a_100012232248_100000211543 [1,1,0,0,0,0|1,0,1]=4 4075 B14R1.123 CCOCCNCCC1CCCCO1 2230a_100015183643_100011215890 [1,1,0,0,0,0|1,0,1]=4 4076 B14R1.123 CCOCCNCCC1CCCCO1 34a_100015183643_100000210147 [1,1,0,0,0,0|1,0,1]=4 4077 B14R1.123 CCSCCCCOC1CCCCO1 62a_100000031530_100000210202 [1,1,0,0,0,0|1,0,1]=4 4078 B14R1.123 CCSCCCCOC1CCCCO1 62a_100000210202_100000031530 [1,1,0,0,0,0|1,0,1]=4 4079 B14R1.123 CCSCCCOCC1CCCCO1 34a_100011216438_100000211543 [1,1,0,0,0,0|1,0,1]=4 4080 B14R1.123 CCSCCCOCC1CCCCO1 7a_100011216438_100000211543 [1,1,0,0,0,0|1,0,1]=4 4081 B14R1.123 CCSCCNCCC1CCCCO1 2230a_100015183643_100000757381 [1,1,0,0,0,0|1,0,1]=4 4082 B14R1.123 CCSCCNCCC1CCCCO1 34a_100015183643_100000757381 [1,1,0,0,0,0|1,0,1]=4 4083 B14R1.123 COCCCCCNC1C=CCCC1 2230a_100000747528_100000751183 [1,1,0,0,0,0|2,0,0]=4 4084 B14R1.123 COCCCCNCC1CCCCO1 2230a_100000174945_100000730899 [1,1,0,0,0,0|1,0,1]=4 4085 B14R1.123 COCCCCNCC1CCCCO1 34a_100000174945_100000755781 [1,1,0,0,0,0|1,0,1]=4 4086 B14R1.123 COCCCCOCC1CCC=CO1 34a_100011217868_100000755781 [1,1,0,0,0,0|1,0,1]=4 4087 B14R1.123 COCCCCOCC1CCCCO1 34a_100000211370_100000755781 [1,1,0,0,0,0|1,0,1]=4 4088 B14R1.123 COCCCCOCC1CCCCO1 34a_100000740925_100000211543 [1,1,0,0,0,0|1,0,1]=4 4089 B14R1.123 COCCCCOCC1CCCCO1 7a_100000211370_100000730899 [1,1,0,0,0,0|1,0,1]=4 4090 B14R1.123 COCCCCSCC1CCCCO1 62a_100000211543_100000730899 [1,1,0,0,0,0|1,0,1]=4 4091 B14R1.123 COCCCCSCC1CCCCO1 62a_100000730899_100000211543 [1,1,0,0,0,0|1,0,1]=4 4092 B14R1.123 COCCCNCCC1CCCCO1 2230a_100015183643_100000740836 [1,1,0,0,0,0|1,0,1]=4 4093 B14R1.123 COCCCNCCC1CCCCO1 34a_100015183643_100000740836 [1,1,0,0,0,0|1,0,1]=4 4094 B14R1.123 CSCCCCOCC1CCCCO1 34a_100011217163_100000211543 [1,1,0,0,0,0|1,0,1]=4 4095 B14R1.123 CSCCCCOCC1CCCCO1 7a_100011217163_100000211543 [1,1,0,0,0,0|1,0,1]=4 4096 B14R1.123 ClCCCCCCOC1C=CCCC1 7a_100000766143_100000751183 [1,1,0,0,0,0|2,0,0]=4 4097 B14R1.123 ClCCCCCOCC1CCCCO1 34a_100000746330_100000211543 [1,1,0,0,0,0|1,0,1]=4 4098 B14R1.123 ClCCCCCOCC1CCCCO1 7a_100000746330_100000211543 [1,1,0,0,0,0|1,0,1]=4 4099 B14R1.123 FCCCCCCOC1C=CCCC1 34a_100011215024_100015922095 [1,1,0,0,0,0|2,0,0]=4 4100 B14R1.123 FCCCCCCOC1C=CCCC1 7a_100000732779_100000751183 [1,1,0,0,0,0|2,0,0]=4 4101 B14R1.123 FCCCCCCOC1CCCCO1 34a_100000033831_100015922095 [1,1,0,0,0,0|1,0,1]=4 4102 B14R1.123 FCCCCCCSC1C=CCCC1 62a_100000751183_100015922095 [1,1,0,0,0,0|2,0,0]=4 4103 B14R1.123 FCCCCCCSC1C=CCCC1 62a_100015922095_100000751183 [1,1,0,0,0,0|2,0,0]=4 4104 B14R1.123 FCCCCCNCC1CCCCO1 2230a_100000174945_100000729378 [1,1,0,0,0,0|1,0,1]=4 4105 B14R1.123 FCCCCCNCC1CCCCO1 34a_100000174945_100000729378 [1,1,0,0,0,0|1,0,1]=4 4106 B14R1.123 FCCCCCOCC1CCC=CO1 34a_100011217868_100000729378 [1,1,0,0,0,0|1,0,1]=4 4107 B14R1.123 FCCCCCOCC1CCCCO1 34a_100000211370_100000729378 [1,1,0,0,0,0|1,0,1]=4 4108 B14R1.123 FCCCCCOCC1CCCCO1 7a_100000211370_100000729378 [1,1,0,0,0,0|1,0,1]=4 4109 B14R1.123 FCCCCCSCC1CCCCO1 62a_100000211543_100000729378 [1,1,0,0,0,0|1,0,1]=4 4110 B14R1.123 FCCCCCSCC1CCCCO1 62a_100000729378_100000211543 [1,1,0,0,0,0|1,0,1]=4 4111 B14R1.123 FCCCCNCCC1CCCCO1 2230a_100015183643_100000729493 [1,1,0,0,0,0|1,0,1]=4 4112 B14R1.123 FCCCCNCCC1CCCCO1 34a_100015183643_100000729493 [1,1,0,0,0,0|1,0,1]=4 4113 B14R1.123 ICCCCCOCC1CCCCO1 34a_200012148887_100000211543 [1,1,0,0,0,0|1,0,1]=4 4114 B14R1.123 ICCCCCOCC1CCCCO1 7a_200012148887_100000211543 [1,1,0,0,0,0|1,0,1]=4 4115 B14R1.123 NCCCCCOCC1CCCCO1 34a_100000762737_100000211543 [1,1,0,0,0,0|1,0,1]=4 4116 B14R1.123 OCCCCCCNC1C=CCCC1 2230a_100000686447_100000751183 [1,1,0,0,0,0|2,0,0]=4 4117 B14R1.123 OCCCCCCOC1C=CCCC1 34a_100011215024_100000766143 [1,1,0,0,0,0|2,0,0]=4 4118 B14R1.123 OCCCCCCOC1CCCCO1 34a_100000033831_100000766143 [1,1,0,0,0,0|1,0,1]=4 4119 B14R1.123 OCCCCCCSC1C=CCCC1 62a_100000751183_100000766143 [1,1,0,0,0,0|2,0,0]=4 4120 B14R1.123 OCCCCCCSC1C=CCCC1 62a_100000766143_100000751183 [1,1,0,0,0,0|2,0,0]=4 4121 B14R1.123 OCCCCCNCC1CCCCO1 2230a_100000174945_100000746330 [1,1,0,0,0,0|1,0,1]=4 4122 B14R1.123 OCCCCCNCC1CCCCO1 2230a_100000762737_100000211543 [1,1,0,0,0,0|1,0,1]=4 4123 B14R1.123 OCCCCCNCC1CCCCO1 34a_100000174945_100000746330 [1,1,0,0,0,0|1,0,1]=4 4124 B14R1.123 OCCCCCNCC1CCCCO1 34a_100000762737_100000211543 [1,1,0,0,0,0|1,0,1]=4 4125 B14R1.123 OCCCCCOCC1CCC=CO1 34a_100011217868_100000746330 [1,1,0,0,0,0|1,0,1]=4 4126 B14R1.123 OCCCCCOCC1CCCCO1 34a_100000211370_100000746330 [1,1,0,0,0,0|1,0,1]=4 4127 B14R1.123 OCCCCCOCC1CCCCO1 7a_100000211370_100000746330 [1,1,0,0,0,0|1,0,1]=4 4128 B14R1.123 OCCCCCSCC1CCCCO1 62a_100000211543_100000746330 [1,1,0,0,0,0|1,0,1]=4 4129 B14R1.123 OCCCCCSCC1CCCCO1 62a_100000746330_100000211543 [1,1,0,0,0,0|1,0,1]=4 4130 B14R1.123 OCCCCNCCC1CCCCO1 2230a_100015183643_100000210776 [1,1,0,0,0,0|1,0,1]=4 4131 B14R1.123 OCCCCNCCC1CCCCO1 34a_100015183643_100011216708 [1,1,0,0,0,0|1,0,1]=4 4132 B14R1.156 CCCCC(C)COC1C=CCCC1 7a_100011995851_100000751183 [1,1,0,0,0,0|2,0,0]=4 4133 B14R1.156 CCCCC(C)NCC1CCCCO1 2230a_100000126638_100000211543 [1,1,0,0,0,0|1,0,1]=4 4134 B14R1.156 CCCCC(C)NCC1CCCCO1 2230a_100000174945_200011215066 [1,1,0,0,0,0|1,0,1]=4 4135 B14R1.156 CCCCC(C)NCC1CCCCO1 270004a_100000174945_100000210087 [1,1,0,0,0,0|1,0,1]=4 4136 B14R1.156 CCCCC(C)NCC1CCCCO1 34a_100000174945_200011215066 [1,1,0,0,0,0|1,0,1]=4 4137 B14R1.156 CCCCC(C)OCC1CCC=CO1 34a_100011217868_200011215066 [1,1,0,0,0,0|1,0,1]=4 4138 B14R1.156 CCCCC(C)OCC1CCCCO1 34a_100000211370_200011215066 [1,1,0,0,0,0|1,0,1]=4 4139 B14R1.156 CCCCC(C)OCC1CCCCO1 34a_100000687866_100000211543 [1,1,0,0,0,0|1,0,1]=4 4140 B14R1.156 CCCCC(C)OCC1CCCCO1 7a_100000211370_200011215066 [1,1,0,0,0,0|1,0,1]=4 4141 B14R1.156 CCCCC(C)OCC1CCCCO1 7a_100000687866_100000211543 [1,1,0,0,0,0|1,0,1]=4 4142 B14R1.156 CCCCC(C)SCC1CCCCO1 62a_100000211543_200011215066 [1,1,0,0,0,0|1,0,1]=4 4143 B14R1.156 CCCCC(C)SCC1CCCCO1 62a_200011215066_100000211543 [1,1,0,0,0,0|1,0,1]=4 4144 B14R1.156 CCCCN(C)CCC1CCCCO1 2230a_100015183322_100000210211 [1,1,0,0,0,0|1,0,1]=4 4145 B14R1.156 CCCCN(C)CCC1CCCCO1 269982a_100015183322_100000210211 [1,1,0,0,0,0|1,0,1]=4 4146 B14R1.156 CCCCN(C)CCC1CCCCO1 34a_100015183322_100000210210 [1,1,0,0,0,0|1,0,1]=4 4147 B14R1.158 CCCCCC(=O)CC1CCCCO1 1458a_100000212188_100000211543 [1,1,0,0,0,0|0,0,2]=4 4148 B14R1.158 CCCCCC(=O)CC1CCCCO1 1458a_100000238585_100000210326 [1,1,0,0,0,0|0,0,2]=4 4149 B14R1.158 CCCCCC(C)NC1C=CCCC1 2230a_100000211957_100000751183 [1,1,0,0,0,0|2,0,0]=4 4150 B14R1.158 CCCCCC(C)OC1C=CCCC1 34a_100011215024_200011218191 [1,1,0,0,0,0|2,0,0]=4 4151 B14R1.158 CCCCCC(C)OC1C=CCCC1 7a_100011215632_100000751183 [1,1,0,0,0,0|2,0,0]=4 4152 B14R1.158 CCCCCC(C)OC1CCCCO1 34a_100000033831_200011218191 [1,1,0,0,0,0|1,0,1]=4 4153 B14R1.158 CCCCCC(C)SC1C=CCCC1 62a_100000751183_200011218191 [1,1,0,0,0,0|2,0,0]=4 4154 B14R1.158 CCCCCC(C)SC1C=CCCC1 62a_200011218191_100000751183 [1,1,0,0,0,0|2,0,0]=4 4155 B14R1.158 CCCCCN(C)CC1CCCCO1 2230a_100000223495_100000211543 [1,1,0,0,0,0|1,0,1]=4 4156 B14R1.158 CCCCCN(C)CC1CCCCO1 2230a_100000225654_100000210326 [1,1,0,0,0,0|1,0,1]=4 4157 B14R1.158 CCCCCN(C)CC1CCCCO1 269982a_100000223495_100000211543 [1,1,0,0,0,0|1,0,1]=4 4158 B14R1.158 CCCCCN(C)CC1CCCCO1 269982a_100000225654_100000210215 [1,1,0,0,0,0|1,0,1]=4 4159 B14R1.158 CCCCCN(C)CC1CCCCO1 34a_100000225654_100000718602 [1,1,0,0,0,0|1,0,1]=4 4160 B14R1.422 CC(C)CCCCOC1C=CCCC1 34a_100011215024_100011216152 [1,1,0,0,0,0|2,0,0]=4 4161 B14R1.422 CC(C)CCCCOC1C=CCCC1 7a_100011214890_100000751183 [1,1,0,0,0,0|2,0,0]=4 4162 B14R1.422 CC(C)CCCCOC1CCCCO1 34a_100000033831_100011216152 [1,1,0,0,0,0|1,0,1]=4 4163 B14R1.422 CC(C)CCCCSC1C=CCCC1 62a_100000751183_100011216152 [1,1,0,0,0,0|2,0,0]=4 4164 B14R1.422 CC(C)CCCCSC1C=CCCC1 62a_100011216152_100000751183 [1,1,0,0,0,0|2,0,0]=4 4165 B14R1.422 CC(C)CCCNCC1CCCCO1 2230a_100000174945_100011214892 [1,1,0,0,0,0|1,0,1]=4 4166 B14R1.422 CC(C)CCCNCC1CCCCO1 2230a_200000737386_100000211543 [1,1,0,0,0,0|1,0,1]=4 4167 B14R1.422 CC(C)CCCNCC1CCCCO1 34a_100000174945_100011214892 [1,1,0,0,0,0|1,0,1]=4 4168 B14R1.422 CC(C)CCCNCC1CCCCO1 34a_200000737386_100000211543 [1,1,0,0,0,0|1,0,1]=4 4169 B14R1.422 CC(C)CCCOCC1CCC=CO1 34a_100011217868_100011214892 [1,1,0,0,0,0|1,0,1]=4 4170 B14R1.422 CC(C)CCCOCC1CCCCO1 34a_100000210774_100000211543 [1,1,0,0,0,0|1,0,1]=4 4171 B14R1.422 CC(C)CCCOCC1CCCCO1 34a_100000211370_100011214892 [1,1,0,0,0,0|1,0,1]=4 4172 B14R1.422 CC(C)CCCOCC1CCCCO1 7a_100000210774_100000211543 [1,1,0,0,0,0|1,0,1]=4 4173 B14R1.422 CC(C)CCCOCC1CCCCO1 7a_100000211370_100011214892 [1,1,0,0,0,0|1,0,1]=4 4174 B14R1.422 CC(C)CCCSCC1CCCCO1 62a_100000211543_100011214892 [1,1,0,0,0,0|1,0,1]=4 4175 B14R1.422 CC(C)CCCSCC1CCCCO1 62a_100011214892_100000211543 [1,1,0,0,0,0|1,0,1]=4 4176 B14R1.422 CC(C)CCNCCC1CCCCO1 2230a_100015183643_100000210312 [1,1,0,0,0,0|1,0,1]=4 4177 B14R1.422 CC(C)CCNCCC1CCCCO1 269862a_100015183643_100000185833 [1,1,0,0,0,0|1,0,1]=4 4178 B14R1.422 CC(C)CCNCCC1CCCCO1 34a_100015183643_100000210312 [1,1,0,0,0,0|1,0,1]=4 4179 B14R1.422 CC(O)CCCNCC1CCCCO1 2230a_100000174945_200000718107 [1,1,0,0,0,0|1,0,1]=4 4180 B14R1.422 CC(O)CCCNCC1CCCCO1 34a_100000174945_200000718107 [1,1,0,0,0,0|1,0,1]=4 4181 B14R1.422 CC(O)CCCOCC1CCC=CO1 34a_100011217868_200000718107 [1,1,0,0,0,0|1,0,1]=4 4182 B14R1.422 CC(O)CCCOCC1CCCCO1 34a_100000211370_200000718107 [1,1,0,0,0,0|1,0,1]=4 4183 B14R1.422 CC(O)CCCOCC1CCCCO1 7a_100000211370_200000718107 [1,1,0,0,0,0|1,0,1]=4 4184 B14R1.422 CC(O)CCCSCC1CCCCO1 62a_100000211543_200000718107 [1,1,0,0,0,0|1,0,1]=4 4185 B14R1.422 CC(O)CCCSCC1CCCCO1 62a_200000718107_100000211543 [1,1,0,0,0,0|1,0,1]=4 4186 B14R1.422 CC(O)CCNCCC1CCCCO1 2230a_100015183643_100012276601 [1,1,0,0,0,0|1,0,1]=4 4187 B14R1.422 CC(O)CCNCCC1CCCCO1 34a_100015183643_100012276601 [1,1,0,0,0,0|1,0,1]=4 4188 B14R1.520 CCCC(C)CCOC1C=CCCC1 7a_100011217855_100000751183 [1,1,0,0,0,0|2,0,0]=4 4189 B14R1.520 CCCC(C)CNCC1CCCCO1 2230a_100000174945_100011216630 [1,1,0,0,0,0|1,0,1]=4 4190 B14R1.520 CCCC(C)CNCC1CCCCO1 270004a_100000174945_100000243154 [1,1,0,0,0,0|1,0,1]=4 4191 B14R1.520 CCCC(C)CNCC1CCCCO1 34a_100000174945_100011216630 [1,1,0,0,0,0|1,0,1]=4 4192 B14R1.520 CCCC(C)COCC1CCC=CO1 34a_100011217868_100011216630 [1,1,0,0,0,0|1,0,1]=4 4193 B14R1.520 CCCC(C)COCC1CCCCO1 34a_100000211370_100011216630 [1,1,0,0,0,0|1,0,1]=4 4194 B14R1.520 CCCC(C)COCC1CCCCO1 34a_100000688023_100000211543 [1,1,0,0,0,0|1,0,1]=4 4195 B14R1.520 CCCC(C)COCC1CCCCO1 7a_100000211370_100011216630 [1,1,0,0,0,0|1,0,1]=4 4196 B14R1.520 CCCC(C)COCC1CCCCO1 7a_100000688023_100000211543 [1,1,0,0,0,0|1,0,1]=4 4197 B14R1.520 CCCC(C)CSCC1CCCCO1 62a_100000211543_100011216630 [1,1,0,0,0,0|1,0,1]=4 4198 B14R1.520 CCCC(C)CSCC1CCCCO1 62a_100011216630_100000211543 [1,1,0,0,0,0|1,0,1]=4 4199 B14R1.520 CCCC(C)NCCC1CCCCO1 2230a_100015183643_100000766640 [1,1,0,0,0,0|1,0,1]=4 4200 B14R1.520 CCCC(C)NCCC1CCCCO1 270004a_100015183643_100000211909 [1,1,0,0,0,0|1,0,1]=4 4201 B14R1.520 CCCC(C)NCCC1CCCCO1 34a_100015183643_100000766640 [1,1,0,0,0,0|1,0,1]=4 4202 B14R1.520 CCC[C@H](N)COCC1CCCCO1 34a_100000732646_100000211543 [1,1,0,0,0,0|1,0,1]=4 4203 B14R1.716 CCC(C)CCCOC1C=CCCC1 7a_100011216074_100000751183 [1,1,0,0,0,0|2,0,0]=4 4204 B14R1.716 CCC(C)CCNCC1CCCCO1 2230a_100020591266_100000211543 [1,1,0,0,0,0|1,0,1]=4 4205 B14R1.716 CCC(C)CCOCC1CCCCO1 7a_100011215188_100000211543 [1,1,0,0,0,0|1,0,1]=4 4206 B14R1.716 CCC(C)CNCCC1CCCCO1 2230a_100015183643_100000748023 [1,1,0,0,0,0|1,0,1]=4 4207 B14R1.716 CCC(C)CNCCC1CCCCO1 270004a_100015183643_100000243153 [1,1,0,0,0,0|1,0,1]=4 4208 B14R1.716 CCC(C)CNCCC1CCCCO1 34a_100015183643_100000748023 [1,1,0,0,0,0|1,0,1]=4 4209 B14R1.716 CCC(O)CNCCC1CCCCO1 2230a_100015183643_100011218378 [1,1,0,0,0,0|1,0,1]=4 4210 B14R1.716 CCC(O)CNCCC1CCCCO1 34a_100015183643_100011218378 [1,1,0,0,0,0|1,0,1]=4 4211 B14R1.716 CC[C@H](C)CNCCC1CCCCO1 2230a_100015183643_100009816398 [1,1,0,0,0,0|1,0,1]=4 4212 B14R1.716 CC[C@H](C)CNCCC1CCCCO1 34a_100015183643_100009816398 [1,1,0,0,0,0|1,0,1]=4 4213 B14R1.37 CCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210757 [0,1,0,0,1,0|1,0,1]=4 4214 B14R1.37 CCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210757 [0,1,0,0,1,0|0,0,1]=3 4215 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000209983_100009814974 [0,1,0,0,1,0|1,0,1]=4 4216 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000209983_100009814974 [0,1,0,0,1,0|1,0,1]=4 4217 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000209983_100009814974 [0,1,0,0,1,0|1,0,1]=4 4218 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000209983_100009814974 [0,1,0,0,1,0|1,0,1]=4 4219 B14R1.37 CCCCOCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011995733 [0,1,0,0,1,0|1,0,1]=4 4220 B14R1.37 CCCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215938 [0,1,0,0,1,0|1,0,1]=4 4221 B14R1.37 CCOCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100012232248 [0,1,0,0,1,0|1,0,1]=4 4222 B14R1.37 COCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000755781 [0,1,0,0,1,0|1,0,1]=4 4223 B14R1.37 O=C1CC[C@H](O1)C(=O)CCCCCF 1458a_100009814974_100000729378 [0,1,0,0,1,0|1,0,1]=4 4224 B14R1.37 O=C1CC[C@H](O1)C(=O)CCCCCO 1458a_100009814974_100000746330 [0,1,0,0,1,0|1,0,1]=4 4225 B14R1.122 CCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210681 [0,1,0,0,1,0|2,0,0]=4 4226 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [0,1,0,0,1,0|1,0,0]=3 4227 B14R1.122 CCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210614 [0,1,0,0,1,0|2,0,0]=4 4228 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [0,1,0,0,1,0|1,0,0]=3 4229 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [0,1,0,0,1,0|1,0,0]=3 4230 B14R1.122 CCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210314 [0,1,0,0,1,0|2,0,0]=4 4231 B14R1.122 CCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210314 [0,1,0,0,1,0|2,0,0]=4 4232 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [0,1,0,0,1,0|1,0,0]=3 4233 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [0,1,0,0,1,0|1,0,0]=3 4234 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [0,1,0,0,1,0|1,0,0]=3 4235 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [0,1,0,0,1,0|1,0,0]=3 4236 B14R1.122 CCCCCCNC[C@H]1COC(=O)N1 2230a_100000210581_100015307671 [0,1,0,0,1,0|2,0,0]=4 4237 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [0,1,0,0,1,0|1,0,0]=3 4238 B14R1.122 CCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210314 [0,1,0,0,1,0|2,0,0]=4 4239 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [0,1,0,0,1,0|1,0,0]=3 4240 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [0,1,0,0,1,0|1,0,0]=3 4241 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [0,1,0,0,1,0|1,0,0]=3 4242 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [0,1,0,0,1,0|1,0,0]=3 4243 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [0,1,0,0,1,0|1,0,0]=3 4244 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 34a_100000210259_100015307671 [0,1,0,0,1,0|2,0,0]=4 4245 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 7a_100000210259_100015307671 [0,1,0,0,1,0|2,0,0]=4 4246 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [0,1,0,0,1,0|1,0,0]=3 4247 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [0,1,0,0,1,0|1,0,0]=3 4248 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [0,1,0,0,1,0|1,0,0]=3 4249 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [0,1,0,0,1,0|1,0,0]=3 4250 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [0,1,0,0,1,0|1,0,0]=3 4251 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [0,1,0,0,1,0|1,0,0]=3 4252 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100000210314_100015307671 [0,1,0,0,1,0|2,0,0]=4 4253 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210757 [0,1,0,0,1,0|2,0,0]=4 4254 B14R1.122 CCCCCOCCC1COS(=O)O1 7a_100000210253_100009840081 [0,1,0,0,1,0|2,0,0]=4 4255 B14R1.122 CCCCCSCCC1COS(=O)O1 62a_100000210326_100009840081 [0,1,0,0,1,0|2,0,0]=4 4256 B14R1.122 CCCCOCCOC1CCC(=O)C1 34a_100012614533_100000743108 [0,1,0,0,1,0|2,0,0]=4 4257 B14R1.122 CCCCOCCOC1COC(=O)O1 34a_100000210238_100000032252 [0,1,0,0,1,0|2,0,0]=4 4258 B14R1.122 CCCCOCCSC1COC(=O)O1 62a_100000743108_100000032252 [0,1,0,0,1,0|2,0,0]=4 4259 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011995733 [0,1,0,0,1,0|2,0,0]=4 4260 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 34a_100015423886_100011995733 [0,1,0,0,1,0|2,0,0]=4 4261 B14R1.122 CCCCOCOCC1CCC(=O)N1 34a_100000737831_100011995733 [0,1,0,0,1,0|2,0,0]=4 4262 B14R1.122 CCCCOCOCC1CNC(=O)O1 34a_100011315639_100011995733 [0,1,0,0,1,0|2,0,0]=4 4263 B14R1.122 CCCCOCSCC1CNC(=O)O1 62a_100000181169_100011995733 [0,1,0,0,1,0|2,0,0]=4 4264 B14R1.122 CCCCOCSCC1CNC(=O)O1 62a_100011995733_100000181169 [0,1,0,0,1,0|2,0,0]=4 4265 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100000073702_100011995733 [0,1,0,0,1,0|2,0,0]=4 4266 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100011995733_100000073702 [0,1,0,0,1,0|2,0,0]=4 4267 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100011995733_100015189358 [0,1,0,0,1,0|2,0,0]=4 4268 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011995733 [0,1,0,0,1,0|2,0,0]=4 4269 B14R1.122 CCCCSCCOC1COC(=O)O1 34a_200000230436_100000032252 [0,1,0,0,1,0|2,0,0]=4 4270 B14R1.122 CCCOCCCNC1COC(=O)O1 34a_100011217757_100000032252 [0,1,0,0,1,0|2,0,0]=4 4271 B14R1.122 CCCOCCNCC1CNC(=O)O1 2230a_100161115042_100000181169 [0,1,0,0,1,0|2,0,0]=4 4272 B14R1.122 CCCOCCNCC1CNC(=O)O1 34a_100161115042_100000181169 [0,1,0,0,1,0|2,0,0]=4 4273 B14R1.122 CCCOCCNCC1COC(=O)O1 34a_100161115042_100000073702 [0,1,0,0,1,0|2,0,0]=4 4274 B14R1.122 CCCOCCNC[C@@H]1CCC(=O)N1 2230a_100161115042_100015189358 [0,1,0,0,1,0|2,0,0]=4 4275 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215938 [0,1,0,0,1,0|2,0,0]=4 4276 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011215938 [0,1,0,0,1,0|2,0,0]=4 4277 B14R1.122 CCCOCCOCC1CCC(=O)N1 34a_100000737831_100011215938 [0,1,0,0,1,0|2,0,0]=4 4278 B14R1.122 CCCOCCOCC1CNC(=O)O1 34a_100000752267_100000181169 [0,1,0,0,1,0|2,0,0]=4 4279 B14R1.122 CCCOCCOCC1CNC(=O)O1 34a_100011315639_100011215938 [0,1,0,0,1,0|2,0,0]=4 4280 B14R1.122 CCCOCCOCC1CNC(=O)O1 7a_100000752267_100000181169 [0,1,0,0,1,0|2,0,0]=4 4281 B14R1.122 CCCOCCOCC1COC(=O)O1 34a_100000752267_100000073702 [0,1,0,0,1,0|2,0,0]=4 4282 B14R1.122 CCCOCCOC[C@@H]1CCC(=O)N1 7a_100000752267_100015189358 [0,1,0,0,1,0|2,0,0]=4 4283 B14R1.122 CCCOCCSCC1CNC(=O)O1 62a_100000181169_100011215938 [0,1,0,0,1,0|2,0,0]=4 4284 B14R1.122 CCCOCCSCC1CNC(=O)O1 62a_100011215938_100000181169 [0,1,0,0,1,0|2,0,0]=4 4285 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100000073702_100011215938 [0,1,0,0,1,0|2,0,0]=4 4286 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100011215938_100000073702 [0,1,0,0,1,0|2,0,0]=4 4287 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100011215938_100015189358 [0,1,0,0,1,0|2,0,0]=4 4288 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215938 [0,1,0,0,1,0|2,0,0]=4 4289 B14R1.122 CCCSCCNCC1CNC(=O)O1 2230a_100020603323_100000181169 [0,1,0,0,1,0|2,0,0]=4 4290 B14R1.122 CCCSCCNC[C@@H]1CCC(=O)N1 2230a_100020603323_100015189358 [0,1,0,0,1,0|2,0,0]=4 4291 B14R1.122 CCCSCCOCC1CNC(=O)O1 34a_200000230433_100000181169 [0,1,0,0,1,0|2,0,0]=4 4292 B14R1.122 CCCSCCOCC1CNC(=O)O1 7a_200000230433_100000181169 [0,1,0,0,1,0|2,0,0]=4 4293 B14R1.122 CCCSCCOCC1COC(=O)O1 34a_200000230433_100000073702 [0,1,0,0,1,0|2,0,0]=4 4294 B14R1.122 CCCSCCOC[C@@H]1CCC(=O)N1 7a_200000230433_100015189358 [0,1,0,0,1,0|2,0,0]=4 4295 B14R1.122 CCOCCCNCC1CNC(=O)O1 2230a_100000210961_100000181169 [0,1,0,0,1,0|2,0,0]=4 4296 B14R1.122 CCOCCCNCC1CNC(=O)O1 34a_100000210961_100000181169 [0,1,0,0,1,0|2,0,0]=4 4297 B14R1.122 CCOCCCNCC1COC(=O)O1 34a_100000210961_100000073702 [0,1,0,0,1,0|2,0,0]=4 4298 B14R1.122 CCOCCCNC[C@@H]1CCC(=O)N1 2230a_100000210961_100015189358 [0,1,0,0,1,0|2,0,0]=4 4299 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100012232248 [0,1,0,0,1,0|2,0,0]=4 4300 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100012232248 [0,1,0,0,1,0|2,0,0]=4 4301 B14R1.122 CCOCCCOCC1CCC(=O)N1 34a_100000737831_100012232248 [0,1,0,0,1,0|2,0,0]=4 4302 B14R1.122 CCOCCCOCC1CNC(=O)O1 34a_100000757476_100000181169 [0,1,0,0,1,0|2,0,0]=4 4303 B14R1.122 CCOCCCOCC1CNC(=O)O1 34a_100011315639_100012232248 [0,1,0,0,1,0|2,0,0]=4 4304 B14R1.122 CCOCCCOCC1CNC(=O)O1 7a_100000757476_100000181169 [0,1,0,0,1,0|2,0,0]=4 4305 B14R1.122 CCOCCCOCC1COC(=O)O1 34a_100000757476_100000073702 [0,1,0,0,1,0|2,0,0]=4 4306 B14R1.122 CCOCCCOC[C@@H]1CCC(=O)N1 7a_100000757476_100015189358 [0,1,0,0,1,0|2,0,0]=4 4307 B14R1.122 CCOCCCSCC1CNC(=O)O1 62a_100000181169_100012232248 [0,1,0,0,1,0|2,0,0]=4 4308 B14R1.122 CCOCCCSCC1CNC(=O)O1 62a_100012232248_100000181169 [0,1,0,0,1,0|2,0,0]=4 4309 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100000073702_100012232248 [0,1,0,0,1,0|2,0,0]=4 4310 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100012232248_100000073702 [0,1,0,0,1,0|2,0,0]=4 4311 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100012232248_100015189358 [0,1,0,0,1,0|2,0,0]=4 4312 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100012232248 [0,1,0,0,1,0|2,0,0]=4 4313 B14R1.122 CCSCCCOCC1CNC(=O)O1 34a_100011216438_100000181169 [0,1,0,0,1,0|2,0,0]=4 4314 B14R1.122 CCSCCCOCC1CNC(=O)O1 7a_100011216438_100000181169 [0,1,0,0,1,0|2,0,0]=4 4315 B14R1.122 CCSCCCOCC1COC(=O)O1 34a_100011216438_100000073702 [0,1,0,0,1,0|2,0,0]=4 4316 B14R1.122 CCSCCCOC[C@@H]1CCC(=O)N1 7a_100011216438_100015189358 [0,1,0,0,1,0|2,0,0]=4 4317 B14R1.122 CNCCCCCOC1COC(=O)O1 34a_100000722520_100000032252 [0,1,0,0,1,0|2,0,0]=4 4318 B14R1.122 COCCCCCNC1COC(=O)O1 34a_100000747528_100000032252 [0,1,0,0,1,0|2,0,0]=4 4319 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000730899 [0,1,0,0,1,0|2,0,0]=4 4320 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000755781 [0,1,0,0,1,0|2,0,0]=4 4321 B14R1.122 COCCCCOCC1CCC(=O)N1 34a_100000737831_100000755781 [0,1,0,0,1,0|2,0,0]=4 4322 B14R1.122 COCCCCOCC1CNC(=O)O1 34a_100000740925_100000181169 [0,1,0,0,1,0|2,0,0]=4 4323 B14R1.122 COCCCCOCC1CNC(=O)O1 34a_100011315639_100000755781 [0,1,0,0,1,0|2,0,0]=4 4324 B14R1.122 COCCCCOCC1COC(=O)O1 34a_100000740925_100000073702 [0,1,0,0,1,0|2,0,0]=4 4325 B14R1.122 COCCCCSCC1CNC(=O)O1 62a_100000181169_100000730899 [0,1,0,0,1,0|2,0,0]=4 4326 B14R1.122 COCCCCSCC1CNC(=O)O1 62a_100000730899_100000181169 [0,1,0,0,1,0|2,0,0]=4 4327 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000073702_100000730899 [0,1,0,0,1,0|2,0,0]=4 4328 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000730899_100000073702 [0,1,0,0,1,0|2,0,0]=4 4329 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100000730899_100015189358 [0,1,0,0,1,0|2,0,0]=4 4330 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000730899 [0,1,0,0,1,0|2,0,0]=4 4331 B14R1.122 CSCCCCOCC1CNC(=O)O1 34a_100011217163_100000181169 [0,1,0,0,1,0|2,0,0]=4 4332 B14R1.122 CSCCCCOCC1CNC(=O)O1 7a_100011217163_100000181169 [0,1,0,0,1,0|2,0,0]=4 4333 B14R1.122 CSCCCCOCC1COC(=O)O1 34a_100011217163_100000073702 [0,1,0,0,1,0|2,0,0]=4 4334 B14R1.122 CSCCCCOC[C@@H]1CCC(=O)N1 7a_100011217163_100015189358 [0,1,0,0,1,0|2,0,0]=4 4335 B14R1.122 NCCCCCCOC1COC(=O)O1 34a_100000686447_100000032252 [0,1,0,0,1,0|2,0,0]=4 4336 B14R1.122 NCCCCCOCC1CNC(=O)O1 34a_100000762737_100000181169 [0,1,0,0,1,0|2,0,0]=4 4337 B14R1.122 NCCCCCOCC1COC(=O)O1 34a_100000762737_100000073702 [0,1,0,0,1,0|2,0,0]=4 4338 B14R1.122 O=C1CCC(C1)OCCCCCCF 34a_100012614533_100015922095 [0,1,0,0,1,0|2,0,0]=4 4339 B14R1.122 O=C1CCC(C1)OCCCCCCO 34a_100012614533_100000766143 [0,1,0,0,1,0|2,0,0]=4 4340 B14R1.122 O=C1CCC(N1)COCCCCCF 34a_100000737831_100000729378 [0,1,0,0,1,0|2,0,0]=4 4341 B14R1.122 O=C1CCC(N1)COCCCCCO 34a_100000737831_100000746330 [0,1,0,0,1,0|2,0,0]=4 4342 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 2230a_100015423886_100000729378 [0,1,0,0,1,0|2,0,0]=4 4343 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 34a_100015423886_100000729378 [0,1,0,0,1,0|2,0,0]=4 4344 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 2230a_100015423886_100000746330 [0,1,0,0,1,0|2,0,0]=4 4345 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 34a_100015423886_100000746330 [0,1,0,0,1,0|2,0,0]=4 4346 B14R1.122 O=C1CC[C@H](N1)CNCCCCCO 2230a_100000762737_100015189358 [0,1,0,0,1,0|2,0,0]=4 4347 B14R1.122 O=C1CC[C@H](N1)COCCCCCBr 7a_100000746331_100015189358 [0,1,0,0,1,0|2,0,0]=4 4348 B14R1.122 O=C1CC[C@H](N1)COCCCCCCl 7a_100000746330_100015189358 [0,1,0,0,1,0|2,0,0]=4 4349 B14R1.122 O=C1CC[C@H](N1)COCCCCCI 7a_200012148887_100015189358 [0,1,0,0,1,0|2,0,0]=4 4350 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100000729378_100015189358 [0,1,0,0,1,0|2,0,0]=4 4351 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100015189358_100000729378 [0,1,0,0,1,0|2,0,0]=4 4352 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100000746330_100015189358 [0,1,0,0,1,0|2,0,0]=4 4353 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100015189358_100000746330 [0,1,0,0,1,0|2,0,0]=4 4354 B14R1.122 O=C1NCC(O1)CNCCCCCO 2230a_100000762737_100000181169 [0,1,0,0,1,0|2,0,0]=4 4355 B14R1.122 O=C1NCC(O1)CNCCCCCO 34a_100000762737_100000181169 [0,1,0,0,1,0|2,0,0]=4 4356 B14R1.122 O=C1NCC(O1)COCCCCCBr 34a_100000746331_100000181169 [0,1,0,0,1,0|2,0,0]=4 4357 B14R1.122 O=C1NCC(O1)COCCCCCBr 7a_100000746331_100000181169 [0,1,0,0,1,0|2,0,0]=4 4358 B14R1.122 O=C1NCC(O1)COCCCCCCl 34a_100000746330_100000181169 [0,1,0,0,1,0|2,0,0]=4 4359 B14R1.122 O=C1NCC(O1)COCCCCCCl 7a_100000746330_100000181169 [0,1,0,0,1,0|2,0,0]=4 4360 B14R1.122 O=C1NCC(O1)COCCCCCF 34a_100011315639_100000729378 [0,1,0,0,1,0|2,0,0]=4 4361 B14R1.122 O=C1NCC(O1)COCCCCCI 34a_200012148887_100000181169 [0,1,0,0,1,0|2,0,0]=4 4362 B14R1.122 O=C1NCC(O1)COCCCCCI 7a_200012148887_100000181169 [0,1,0,0,1,0|2,0,0]=4 4363 B14R1.122 O=C1NCC(O1)COCCCCCO 34a_100011315639_100000746330 [0,1,0,0,1,0|2,0,0]=4 4364 B14R1.122 O=C1NCC(O1)CSCCCCCF 62a_100000181169_100000729378 [0,1,0,0,1,0|2,0,0]=4 4365 B14R1.122 O=C1NCC(O1)CSCCCCCF 62a_100000729378_100000181169 [0,1,0,0,1,0|2,0,0]=4 4366 B14R1.122 O=C1NCC(O1)CSCCCCCO 62a_100000181169_100000746330 [0,1,0,0,1,0|2,0,0]=4 4367 B14R1.122 O=C1NCC(O1)CSCCCCCO 62a_100000746330_100000181169 [0,1,0,0,1,0|2,0,0]=4 4368 B14R1.122 O=C1OCC(O1)CNCCCCCO 34a_100000762737_100000073702 [0,1,0,0,1,0|2,0,0]=4 4369 B14R1.122 O=C1OCC(O1)COCCCCCBr 34a_100000746331_100000073702 [0,1,0,0,1,0|2,0,0]=4 4370 B14R1.122 O=C1OCC(O1)COCCCCCCl 34a_100000746330_100000073702 [0,1,0,0,1,0|2,0,0]=4 4371 B14R1.122 O=C1OCC(O1)COCCCCCI 34a_200012148887_100000073702 [0,1,0,0,1,0|2,0,0]=4 4372 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000073702_100000729378 [0,1,0,0,1,0|2,0,0]=4 4373 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000729378_100000073702 [0,1,0,0,1,0|2,0,0]=4 4374 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000073702_100000746330 [0,1,0,0,1,0|2,0,0]=4 4375 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000746330_100000073702 [0,1,0,0,1,0|2,0,0]=4 4376 B14R1.122 O=C1OCC(O1)NCCCCCCO 34a_100000686447_100000032252 [0,1,0,0,1,0|2,0,0]=4 4377 B14R1.122 O=C1OCC(O1)OCCCCCCBr 34a_100011215345_100000032252 [0,1,0,0,1,0|2,0,0]=4 4378 B14R1.122 O=C1OCC(O1)OCCCCCCCl 34a_100000766143_100000032252 [0,1,0,0,1,0|2,0,0]=4 4379 B14R1.122 O=C1OCC(O1)OCCCCCCF 34a_100000732779_100000032252 [0,1,0,0,1,0|2,0,0]=4 4380 B14R1.122 O=C1OCC(O1)SCCCCCCF 62a_100015922095_100000032252 [0,1,0,0,1,0|2,0,0]=4 4381 B14R1.122 O=C1OCC(O1)SCCCCCCO 62a_100000766143_100000032252 [0,1,0,0,1,0|2,0,0]=4 4382 B14R1.128 CC(C)CCCCOC1CCC(=O)C1 34a_100012614533_100011216152 [0,1,0,0,1,0|2,0,0]=4 4383 B14R1.128 CC(C)CCCCOC1COC(=O)O1 34a_100011214890_100000032252 [0,1,0,0,1,0|2,0,0]=4 4384 B14R1.128 CC(C)CCCCSC1COC(=O)O1 62a_100011216152_100000032252 [0,1,0,0,1,0|2,0,0]=4 4385 B14R1.128 CC(C)CCCNCC1CNC(=O)O1 2230a_200000737386_100000181169 [0,1,0,0,1,0|2,0,0]=4 4386 B14R1.128 CC(C)CCCNCC1CNC(=O)O1 34a_200000737386_100000181169 [0,1,0,0,1,0|2,0,0]=4 4387 B14R1.128 CC(C)CCCNCC1COC(=O)O1 34a_200000737386_100000073702 [0,1,0,0,1,0|2,0,0]=4 4388 B14R1.128 CC(C)CCCNC[C@@H]1CCC(=O)N1 2230a_200000737386_100015189358 [0,1,0,0,1,0|2,0,0]=4 4389 B14R1.128 CC(C)CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011214892 [0,1,0,0,1,0|2,0,0]=4 4390 B14R1.128 CC(C)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011214892 [0,1,0,0,1,0|2,0,0]=4 4391 B14R1.128 CC(C)CCCOCC1CCC(=O)N1 34a_100000737831_100011214892 [0,1,0,0,1,0|2,0,0]=4 4392 B14R1.128 CC(C)CCCOCC1CNC(=O)O1 34a_100000210774_100000181169 [0,1,0,0,1,0|2,0,0]=4 4393 B14R1.128 CC(C)CCCOCC1CNC(=O)O1 34a_100011315639_100011214892 [0,1,0,0,1,0|2,0,0]=4 4394 B14R1.128 CC(C)CCCOCC1CNC(=O)O1 7a_100000210774_100000181169 [0,1,0,0,1,0|2,0,0]=4 4395 B14R1.128 CC(C)CCCOCC1COC(=O)O1 34a_100000210774_100000073702 [0,1,0,0,1,0|2,0,0]=4 4396 B14R1.128 CC(C)CCCOC[C@@H]1CCC(=O)N1 7a_100000210774_100015189358 [0,1,0,0,1,0|2,0,0]=4 4397 B14R1.128 CC(C)CCCSCC1CNC(=O)O1 62a_100000181169_100011214892 [0,1,0,0,1,0|2,0,0]=4 4398 B14R1.128 CC(C)CCCSCC1CNC(=O)O1 62a_100011214892_100000181169 [0,1,0,0,1,0|2,0,0]=4 4399 B14R1.128 CC(C)CCCSCC1COC(=O)O1 62a_100000073702_100011214892 [0,1,0,0,1,0|2,0,0]=4 4400 B14R1.128 CC(C)CCCSCC1COC(=O)O1 62a_100011214892_100000073702 [0,1,0,0,1,0|2,0,0]=4 4401 B14R1.128 CC(C)CCCSC[C@@H]1CCC(=O)N1 62a_100011214892_100015189358 [0,1,0,0,1,0|2,0,0]=4 4402 B14R1.128 CC(C)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011214892 [0,1,0,0,1,0|2,0,0]=4 4403 B14R1.128 CC(O)CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_200000718107 [0,1,0,0,1,0|2,0,0]=4 4404 B14R1.128 CC(O)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_200000718107 [0,1,0,0,1,0|2,0,0]=4 4405 B14R1.128 CC(O)CCCOCC1CCC(=O)N1 34a_100000737831_200000718107 [0,1,0,0,1,0|2,0,0]=4 4406 B14R1.128 CC(O)CCCOCC1CNC(=O)O1 34a_100011315639_200000718107 [0,1,0,0,1,0|2,0,0]=4 4407 B14R1.128 CC(O)CCCSCC1CNC(=O)O1 62a_100000181169_200000718107 [0,1,0,0,1,0|2,0,0]=4 4408 B14R1.128 CC(O)CCCSCC1CNC(=O)O1 62a_200000718107_100000181169 [0,1,0,0,1,0|2,0,0]=4 4409 B14R1.128 CC(O)CCCSCC1COC(=O)O1 62a_100000073702_200000718107 [0,1,0,0,1,0|2,0,0]=4 4410 B14R1.128 CC(O)CCCSCC1COC(=O)O1 62a_200000718107_100000073702 [0,1,0,0,1,0|2,0,0]=4 4411 B14R1.128 CC(O)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_200000718107 [0,1,0,0,1,0|2,0,0]=4 4412 B14R1.128 CC(O)CCCSC[C@@H]1CCC(=O)N1 62a_200000718107_100015189358 [0,1,0,0,1,0|2,0,0]=4 4413 B14R1.155 CCCCC(C)COC1COC(=O)O1 34a_100011995851_100000032252 [0,1,0,0,1,0|2,0,0]=4 4414 B14R1.155 CCCCC(C)NCC1CNC(=O)O1 2230a_100000126638_100000181169 [0,1,0,0,1,0|2,0,0]=4 4415 B14R1.155 CCCCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000126638_100015189358 [0,1,0,0,1,0|2,0,0]=4 4416 B14R1.155 CCCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_200011215066 [0,1,0,0,1,0|2,0,0]=4 4417 B14R1.155 CCCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000210087 [0,1,0,0,1,0|2,0,0]=4 4418 B14R1.155 CCCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_200011215066 [0,1,0,0,1,0|2,0,0]=4 4419 B14R1.155 CCCCC(C)OCC1CCC(=O)N1 34a_100000737831_200011215066 [0,1,0,0,1,0|2,0,0]=4 4420 B14R1.155 CCCCC(C)OCC1CNC(=O)O1 34a_100000687866_100000181169 [0,1,0,0,1,0|2,0,0]=4 4421 B14R1.155 CCCCC(C)OCC1CNC(=O)O1 34a_100011315639_200011215066 [0,1,0,0,1,0|2,0,0]=4 4422 B14R1.155 CCCCC(C)OCC1CNC(=O)O1 7a_100000687866_100000181169 [0,1,0,0,1,0|2,0,0]=4 4423 B14R1.155 CCCCC(C)OCC1COC(=O)O1 34a_100000687866_100000073702 [0,1,0,0,1,0|2,0,0]=4 4424 B14R1.155 CCCCC(C)OC[C@@H]1CCC(=O)N1 7a_100000687866_100015189358 [0,1,0,0,1,0|2,0,0]=4 4425 B14R1.155 CCCCC(C)SCC1CNC(=O)O1 62a_100000181169_200011215066 [0,1,0,0,1,0|2,0,0]=4 4426 B14R1.155 CCCCC(C)SCC1CNC(=O)O1 62a_200011215066_100000181169 [0,1,0,0,1,0|2,0,0]=4 4427 B14R1.155 CCCCC(C)SCC1COC(=O)O1 62a_100000073702_200011215066 [0,1,0,0,1,0|2,0,0]=4 4428 B14R1.155 CCCCC(C)SCC1COC(=O)O1 62a_200011215066_100000073702 [0,1,0,0,1,0|2,0,0]=4 4429 B14R1.155 CCCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_200011215066 [0,1,0,0,1,0|2,0,0]=4 4430 B14R1.155 CCCCC(C)SC[C@@H]1CCC(=O)N1 62a_200011215066_100015189358 [0,1,0,0,1,0|2,0,0]=4 4431 B14R1.155 CCCC[C@H](N)COC1COC(=O)O1 34a_100011934283_100000032252 [0,1,0,0,1,0|2,0,0]=4 4432 B14R1.157 CCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210326 [0,1,0,0,1,0|1,0,1]=4 4433 B14R1.157 CCCCCC(=O)CC1CNC(=O)O1 1458a_100000212188_100000181169 [0,1,0,0,1,0|1,0,1]=4 4434 B14R1.157 CCCCCC(=O)CC1COC(=O)O1 1458a_100000212188_100000073702 [0,1,0,0,1,0|1,0,1]=4 4435 B14R1.157 CCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000212188_100015189358 [0,1,0,0,1,0|1,0,1]=4 4436 B14R1.157 CCCCCC(C)OC1CCC(=O)C1 34a_100012614533_200011218191 [0,1,0,0,1,0|2,0,0]=4 4437 B14R1.157 CCCCCC(C)OC1COC(=O)O1 34a_100011215632_100000032252 [0,1,0,0,1,0|2,0,0]=4 4438 B14R1.157 CCCCCC(C)SC1COC(=O)O1 62a_200011218191_100000032252 [0,1,0,0,1,0|2,0,0]=4 4439 B14R1.157 CCCCCN(C)CC1CNC(=O)O1 2230a_100000223495_100000181169 [0,1,0,0,1,0|2,0,0]=4 4440 B14R1.157 CCCCCN(C)CC1CNC(=O)O1 269982a_100000223495_100000181169 [0,1,0,0,1,0|2,0,0]=4 4441 B14R1.157 CCCCCN(C)CC1COC(=O)O1 269982a_100000223495_100000073702 [0,1,0,0,1,0|2,0,0]=4 4442 B14R1.157 CCCCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000223495_100015189358 [0,1,0,0,1,0|2,0,0]=4 4443 B14R1.157 CCCCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000223495_100015189358 [0,1,0,0,1,0|2,0,0]=4 4444 B14R1.519 CCCC(C)CCOC1COC(=O)O1 34a_100011217855_100000032252 [0,1,0,0,1,0|2,0,0]=4 4445 B14R1.519 CCCC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100011216630 [0,1,0,0,1,0|2,0,0]=4 4446 B14R1.519 CCCC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000243154 [0,1,0,0,1,0|2,0,0]=4 4447 B14R1.519 CCCC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011216630 [0,1,0,0,1,0|2,0,0]=4 4448 B14R1.519 CCCC(C)COCC1CCC(=O)N1 34a_100000737831_100011216630 [0,1,0,0,1,0|2,0,0]=4 4449 B14R1.519 CCCC(C)COCC1CNC(=O)O1 34a_100000688023_100000181169 [0,1,0,0,1,0|2,0,0]=4 4450 B14R1.519 CCCC(C)COCC1CNC(=O)O1 34a_100011315639_100011216630 [0,1,0,0,1,0|2,0,0]=4 4451 B14R1.519 CCCC(C)COCC1CNC(=O)O1 7a_100000688023_100000181169 [0,1,0,0,1,0|2,0,0]=4 4452 B14R1.519 CCCC(C)COCC1COC(=O)O1 34a_100000688023_100000073702 [0,1,0,0,1,0|2,0,0]=4 4453 B14R1.519 CCCC(C)COC[C@@H]1CCC(=O)N1 7a_100000688023_100015189358 [0,1,0,0,1,0|2,0,0]=4 4454 B14R1.519 CCCC(C)CSCC1CNC(=O)O1 62a_100000181169_100011216630 [0,1,0,0,1,0|2,0,0]=4 4455 B14R1.519 CCCC(C)CSCC1CNC(=O)O1 62a_100011216630_100000181169 [0,1,0,0,1,0|2,0,0]=4 4456 B14R1.519 CCCC(C)CSCC1COC(=O)O1 62a_100000073702_100011216630 [0,1,0,0,1,0|2,0,0]=4 4457 B14R1.519 CCCC(C)CSCC1COC(=O)O1 62a_100011216630_100000073702 [0,1,0,0,1,0|2,0,0]=4 4458 B14R1.519 CCCC(C)CSC[C@@H]1CCC(=O)N1 62a_100011216630_100015189358 [0,1,0,0,1,0|2,0,0]=4 4459 B14R1.519 CCCC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011216630 [0,1,0,0,1,0|2,0,0]=4 4460 B14R1.519 CCC[C@H](N)CCOC1COC(=O)O1 34a_100015193777_100000032252 [0,1,0,0,1,0|2,0,0]=4 4461 B14R1.519 CCC[C@H](N)COCC1CNC(=O)O1 34a_100000732646_100000181169 [0,1,0,0,1,0|2,0,0]=4 4462 B14R1.519 CCC[C@H](N)COCC1COC(=O)O1 34a_100000732646_100000073702 [0,1,0,0,1,0|2,0,0]=4 4463 B14R1.715 CCC(C)CCNCC1CNC(=O)O1 2230a_100020591266_100000181169 [0,1,0,0,1,0|2,0,0]=4 4464 B14R1.715 CCC(C)CCNC[C@@H]1CCC(=O)N1 2230a_100020591266_100015189358 [0,1,0,0,1,0|2,0,0]=4 4465 B14R1.715 CCC(C)CCOCC1CNC(=O)O1 7a_100011215188_100000181169 [0,1,0,0,1,0|2,0,0]=4 4466 B14R1.715 CCC(C)CCOC[C@@H]1CCC(=O)N1 7a_100011215188_100015189358 [0,1,0,0,1,0|2,0,0]=4 4467 B14R1.62 CCCCCCCC1CCCC1NC 269862a_106832991636_200011216720 [0,1,0,0,1,0|1,0,1]=4 4468 B14R1.62 CCCCCCCC1CCCC1NC 270004a_106832991635_200011216720 [0,1,0,0,1,0|1,0,1]=4 4469 B14R1.168 CC(=O)CCCCOC1CCCC1=O 34a_200000719330_100009817362 [0,1,0,0,1,0|1,0,1]=4 4470 B14R1.168 CC(=O)CCCCSC1CCCC1=O 62a_100000211823_100000735457 [0,1,0,0,1,0|1,0,1]=4 4471 B14R1.168 CC(=O)CCCCSC1CCCC1=O 62a_100000735457_100000211823 [0,1,0,0,1,0|1,0,1]=4 4472 B14R1.168 CC(Br)CCOCCN1CCCC1=O 34a_100009893172_100000739059 [0,1,0,0,1,0|2,0,0]=4 4473 B14R1.168 CC(C)CCCCNC1CCNC1=O 2230a_100016995588_100011216152 [0,1,0,0,1,0|2,0,0]=4 4474 B14R1.168 CC(C)CCCCNC1CCNC1=O 34a_100016995588_100011216152 [0,1,0,0,1,0|2,0,0]=4 4475 B14R1.168 CC(C)CCCCOC1CCCC1=O 34a_100011214890_100000709159 [0,1,0,0,1,0|1,0,0]=3 4476 B14R1.168 CC(C)CCCCOC1CCCC1=O 34a_200000719330_100011216152 [0,1,0,0,1,0|1,0,0]=3 4477 B14R1.168 CC(C)CCCCOC1CCCC1=O 7a_100011214890_100000211823 [0,1,0,0,1,0|1,0,0]=3 4478 B14R1.168 CC(C)CCCCOC1CCOC1=O 34a_100011214890_100000211211 [0,1,0,0,1,0|2,0,0]=4 4479 B14R1.168 CC(C)CCCCOC1CCOC1=O 7a_100011214890_100000211211 [0,1,0,0,1,0|2,0,0]=4 4480 B14R1.168 CC(C)CCCCO[C@H]1CCNC1=O 34a_100000688343_100011216152 [0,1,0,0,1,0|2,0,0]=4 4481 B14R1.168 CC(C)CCCCSC1CCCC1=O 62a_100000211823_100011216152 [0,1,0,0,1,0|1,0,0]=3 4482 B14R1.168 CC(C)CCCCSC1CCCC1=O 62a_100011216152_100000211823 [0,1,0,0,1,0|1,0,0]=3 4483 B14R1.168 CC(C)CCCCSC1CCOC1=O 62a_100000211211_100011216152 [0,1,0,0,1,0|2,0,0]=4 4484 B14R1.168 CC(C)CCCCSC1CCOC1=O 62a_100011216152_100000211211 [0,1,0,0,1,0|2,0,0]=4 4485 B14R1.168 CC(C)CCCOCC1CCNC1=O 34a_100000133458_100011214892 [0,1,0,0,1,0|2,0,0]=4 4486 B14R1.168 CC(C)CCCSCN1CCCC1=O 62a_100000026320_100011214892 [0,1,0,0,1,0|2,0,0]=4 4487 B14R1.168 CC(C)CCCSCN1CCCC1=O 62a_100011214892_100000026320 [0,1,0,0,1,0|2,0,0]=4 4488 B14R1.168 CC(C)CCNCCN1CCCC1=O 2230a_100011200922_100000210312 [0,1,0,0,1,0|2,0,0]=4 4489 B14R1.168 CC(C)CCNCCN1CCCC1=O 269862a_100011200922_100000185833 [0,1,0,0,1,0|2,0,0]=4 4490 B14R1.168 CC(C)CCOCCN1CCCC1=O 34a_100000210254_100000739059 [0,1,0,0,1,0|2,0,0]=4 4491 B14R1.168 CC(C)CCOCCN1CCCC1=O 34a_100000211209_100000210312 [0,1,0,0,1,0|2,0,0]=4 4492 B14R1.168 CC(C)CCOCCN1CCCC1=O 7a_100000210254_100000739059 [0,1,0,0,1,0|2,0,0]=4 4493 B14R1.168 CC(C)CCOCCN1CCCC1=O 7a_100000211209_100000210626 [0,1,0,0,1,0|2,0,0]=4 4494 B14R1.168 CC(C)CCSCCN1CCCC1=O 62a_100000210312_100000739059 [0,1,0,0,1,0|2,0,0]=4 4495 B14R1.168 CC(C)CCSCCN1CCCC1=O 62a_100000739059_100000210312 [0,1,0,0,1,0|2,0,0]=4 4496 B14R1.168 CC(C)CNCCCN1CCCC1=O 2230a_100000210347_100000210760 [0,1,0,0,1,0|2,0,0]=4 4497 B14R1.168 CC(C)CNCCCN1CCCC1=O 270004a_100000210347_100000210432 [0,1,0,0,1,0|2,0,0]=4 4498 B14R1.168 CC(C)CNCCCN1CCCC1=O 34a_100000210347_100000210624 [0,1,0,0,1,0|2,0,0]=4 4499 B14R1.168 CC(C)CNCCOC1CCCC1=O 34a_100015185251_100000709159 [0,1,0,0,1,0|2,0,0]=4 4500 B14R1.168 CC(C)COCCCN1CCCC1=O 34a_100011216539_100000210624 [0,1,0,0,1,0|2,0,0]=4 4501 B14R1.168 CC(C)COCCCN1CCCC1=O 7a_100011216539_100000210760 [0,1,0,0,1,0|2,0,0]=4 4502 B14R1.168 CC(C)COCCOC1CCCC1=O 34a_100000703358_100000709159 [0,1,0,0,1,0|2,0,0]=4 4503 B14R1.168 CC(C)COCCOC1CCCC1=O 7a_100000703358_100000211823 [0,1,0,0,1,0|2,0,0]=4 4504 B14R1.168 CC(C)CSCCOC1CCCC1=O 34a_200000230437_100000709159 [0,1,0,0,1,0|2,0,0]=4 4505 B14R1.168 CC(C)CSCCOC1CCCC1=O 7a_200000230437_100000211823 [0,1,0,0,1,0|2,0,0]=4 4506 B14R1.168 CC(C)NCCCOC1CCCC1=O 34a_100000182298_100000709159 [0,1,0,0,1,0|2,0,0]=4 4507 B14R1.168 CC(C)OCCCNC1CCCC1=O 2230a_100000737246_100000211823 [0,1,0,0,1,0|2,0,0]=4 4508 B14R1.168 CC(C)OCCCNC1CCCC1=O 34a_100000737246_100000709159 [0,1,0,0,1,0|2,0,0]=4 4509 B14R1.168 CC(O)CCCOCC1CCNC1=O 34a_100000133458_200000718107 [0,1,0,0,1,0|2,0,0]=4 4510 B14R1.168 CC(O)CCCSCN1CCCC1=O 62a_100000026320_200000718107 [0,1,0,0,1,0|2,0,0]=4 4511 B14R1.168 CC(O)CCCSCN1CCCC1=O 62a_200000718107_100000026320 [0,1,0,0,1,0|2,0,0]=4 4512 B14R1.168 CC(O)CCNCCN1CCCC1=O 2230a_100011200922_100012276601 [0,1,0,0,1,0|2,0,0]=4 4513 B14R1.168 CC(O)CCNCCN1CCCC1=O 2230a_200000755665_100000739059 [0,1,0,0,1,0|2,0,0]=4 4514 B14R1.168 CC(O)CCOCCN1CCCC1=O 34a_100000211209_100012276601 [0,1,0,0,1,0|2,0,0]=4 4515 B14R1.168 CC(O)CCOCCN1CCCC1=O 7a_100000211209_100012276601 [0,1,0,0,1,0|2,0,0]=4 4516 B14R1.168 CC(O)CCSCCN1CCCC1=O 62a_100000739059_100012276601 [0,1,0,0,1,0|2,0,0]=4 4517 B14R1.168 CC(O)CCSCCN1CCCC1=O 62a_100012276601_100000739059 [0,1,0,0,1,0|2,0,0]=4 4518 B14R1.168 CC(O)CNCCCN1CCCC1=O 2230a_100000210347_100011218427 [0,1,0,0,1,0|2,0,0]=4 4519 B14R1.168 CC(O)CNCCCN1CCCC1=O 34a_100000210347_100011218427 [0,1,0,0,1,0|2,0,0]=4 4520 B14R1.168 CC(O)COCCCN1CCCC1=O 34a_100011216539_100011218427 [0,1,0,0,1,0|2,0,0]=4 4521 B14R1.168 CC(O)COCCCN1CCCC1=O 7a_100011216539_100011218427 [0,1,0,0,1,0|2,0,0]=4 4522 B14R1.168 CN(C)CCCCSC1CCCC1=O 62a_100000211823_100000690147 [0,1,0,0,1,0|2,0,0]=4 4523 B14R1.168 C[C@@H](N)CCOCCN1CCCC1=O 34a_100000706166_100000739059 [0,1,0,0,1,0|2,0,0]=4 4524 B14R1.168 C[C@@H](O)CNCCCN1CCCC1=O 2230a_100000210347_100009817552 [0,1,0,0,1,0|2,0,0]=4 4525 B14R1.168 C[C@@H](O)CNCCCN1CCCC1=O 34a_100000210347_100009817552 [0,1,0,0,1,0|2,0,0]=4 4526 B14R1.168 C[C@@H](O)COCCCN1CCCC1=O 34a_100011216539_100009817552 [0,1,0,0,1,0|2,0,0]=4 4527 B14R1.168 C[C@@H](O)COCCCN1CCCC1=O 7a_100011216539_100009817552 [0,1,0,0,1,0|2,0,0]=4 4528 B14R1.216 C#CCCCCCOC1CCCC1=O 34a_100000766912_100000709159 [0,1,0,0,1,0|0,0,2]=4 4529 B14R1.216 C#CCCCCCOC1CCCC1=O 34a_200000719330_100012094781 [0,1,0,0,1,0|0,0,2]=4 4530 B14R1.216 C#CCCCCCOC1CCCC1=O 7a_100000766912_100000211823 [0,1,0,0,1,0|0,0,2]=4 4531 B14R1.216 C#CCCCCCSC1CCCC1=O 62a_100000211823_100012094781 [0,1,0,0,1,0|0,0,2]=4 4532 B14R1.216 C#CCCCCCSC1CCCC1=O 62a_100012094781_100000211823 [0,1,0,0,1,0|0,0,2]=4 4533 B14R1.216 C=CCCCCCOC1CCCC1=O 34a_100011216702_100000709159 [0,1,0,0,1,0|0,0,2]=4 4534 B14R1.216 C=CCCCCCOC1CCCC1=O 34a_200000719330_100000700193 [0,1,0,0,1,0|0,0,2]=4 4535 B14R1.216 C=CCCCCCOC1CCCC1=O 7a_100011216702_100000211823 [0,1,0,0,1,0|0,0,2]=4 4536 B14R1.216 C=CCCCCCSC1CCCC1=O 62a_100000211823_100000700193 [0,1,0,0,1,0|0,0,2]=4 4537 B14R1.216 C=CCCCCCSC1CCCC1=O 62a_100000700193_100000211823 [0,1,0,0,1,0|0,0,2]=4 4538 B14R1.216 CC/C=C/CCCOC1CCCC1=O 34a_100016287902_100000709159 [0,1,0,0,1,0|0,0,2]=4 4539 B14R1.216 CC/C=C/CCCOC1CCCC1=O 7a_100016287902_100000211823 [0,1,0,0,1,0|0,0,2]=4 4540 B14R1.216 CCCC#CCCOC1CCCC1=O 34a_100000042726_100000709159 [0,1,0,0,1,0|0,0,2]=4 4541 B14R1.216 CCCC#CCCOC1CCCC1=O 7a_100000042726_100000211823 [0,1,0,0,1,0|0,0,2]=4 4542 B14R1.216 CCCC/C=C/COC1CCCC1=O 34a_200016272032_100000709159 [0,1,0,0,1,0|0,0,2]=4 4543 B14R1.216 CCCC/C=C/COC1CCCC1=O 7a_200016272032_100000211823 [0,1,0,0,1,0|0,0,2]=4 4544 B14R1.216 CCCCC#CCOC1CCCC1=O 34a_200000034558_100000709159 [0,1,0,0,1,0|0,0,2]=4 4545 B14R1.216 CCCCC#CCOC1CCCC1=O 7a_200000034558_100000211823 [0,1,0,0,1,0|0,0,2]=4 4546 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [0,1,0,0,1,0|0,0,0]=2 4547 B14R1.216 CCCCCCCNC1CCCC1C 269862a_100000229938_100000752053 [0,1,0,0,1,0|1,0,1]=4 4548 B14R1.216 CCCCCCCNC1CCNC1=O 2230a_100016995588_100000210681 [0,1,0,0,1,0|1,0,0]=3 4549 B14R1.216 CCCCCCCNC1CCNC1=O 34a_100016995588_100000210614 [0,1,0,0,1,0|1,0,0]=3 4550 B14R1.216 CCCCCCCNC1CCOC1=O 2230a_100000229938_100000211211 [0,1,0,0,1,0|1,0,0]=3 4551 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210681 [0,1,0,0,1,0|2,0,0]=4 4552 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210614 [0,1,0,0,1,0|2,0,0]=4 4553 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [0,1,0,0,1,0|0,0,0]=2 4554 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [0,1,0,0,1,0|0,0,0]=2 4555 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [0,1,0,0,1,0|0,0,0]=2 4556 B14R1.216 CCCCCCCOC1CCCC1C 34a_100011216460_100000210614 [0,1,0,0,1,0|1,0,1]=4 4557 B14R1.216 CCCCCCCOC1CCCC1C 7a_100011216460_100000210614 [0,1,0,0,1,0|1,0,1]=4 4558 B14R1.216 CCCCCCCOC1CCOC1=O 34a_100000210272_100000211211 [0,1,0,0,1,0|1,0,0]=3 4559 B14R1.216 CCCCCCCOC1CCOC1=O 7a_100000210272_100000211211 [0,1,0,0,1,0|1,0,0]=3 4560 B14R1.216 CCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210614 [0,1,0,0,1,0|1,0,1]=4 4561 B14R1.216 CCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210614 [0,1,0,0,1,0|1,0,1]=4 4562 B14R1.216 CCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210614 [0,1,0,0,1,0|1,0,0]=3 4563 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [0,1,0,0,1,0|0,0,0]=2 4564 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [0,1,0,0,1,0|0,0,0]=2 4565 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000210614_100000211211 [0,1,0,0,1,0|1,0,0]=3 4566 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000211211_100000210316 [0,1,0,0,1,0|1,0,0]=3 4567 B14R1.216 CCCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210614_200016002552 [0,1,0,0,1,0|0,0,2]=4 4568 B14R1.216 CCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210316 [0,1,0,0,1,0|0,0,2]=4 4569 B14R1.216 CCCCCCOCC1=CCCC1=O 34a_100000087531_100000210314 [0,1,0,0,1,0|0,0,2]=4 4570 B14R1.216 CCCCCCOCC1CCCN1C 34a_100000743107_100000210314 [0,1,0,0,1,0|2,0,0]=4 4571 B14R1.216 CCCCCCOCC1CCNC1=O 34a_100000133458_100000210314 [0,1,0,0,1,0|1,0,0]=3 4572 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000026320_100000210757 [0,1,0,0,1,0|1,0,0]=3 4573 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000210314_100000026320 [0,1,0,0,1,0|1,0,0]=3 4574 B14R1.216 CCCCCNCCC1CCCN1C 2230a_100000209983_100000005710 [0,1,0,0,1,0|2,0,0]=4 4575 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100000209983_100000739059 [0,1,0,0,1,0|1,0,0]=3 4576 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100011200922_100000210326 [0,1,0,0,1,0|1,0,0]=3 4577 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100000209983_100000090651 [0,1,0,0,1,0|2,0,0]=4 4578 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100011207550_100000210326 [0,1,0,0,1,0|2,0,0]=4 4579 B14R1.216 CCCCCOCCC1CCCN1C 34a_100000210253_100000005710 [0,1,0,0,1,0|2,0,0]=4 4580 B14R1.216 CCCCCOCCC1CCCN1C 34a_100011215177_100000718602 [0,1,0,0,1,0|2,0,0]=4 4581 B14R1.216 CCCCCOCCC1CCCN1C 7a_100000210253_100000005710 [0,1,0,0,1,0|2,0,0]=4 4582 B14R1.216 CCCCCOCCC1CCCN1C 7a_100011215177_100000210326 [0,1,0,0,1,0|2,0,0]=4 4583 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000210253_100000739059 [0,1,0,0,1,0|1,0,0]=3 4584 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000211209_100000718602 [0,1,0,0,1,0|1,0,0]=3 4585 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000210253_100000739059 [0,1,0,0,1,0|1,0,0]=3 4586 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000211209_100000210326 [0,1,0,0,1,0|1,0,0]=3 4587 B14R1.216 CCCCCOCCN1CCNC1=O 34a_100000216532_100000718602 [0,1,0,0,1,0|2,0,0]=4 4588 B14R1.216 CCCCCOCCN1CCNC1=O 7a_100000210253_100000090651 [0,1,0,0,1,0|2,0,0]=4 4589 B14R1.216 CCCCCSCCC1CCCN1C 62a_100000005710_100000210326 [0,1,0,0,1,0|2,0,0]=4 4590 B14R1.216 CCCCCSCCC1CCCN1C 62a_100000210326_100000005710 [0,1,0,0,1,0|2,0,0]=4 4591 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000210326_100000739059 [0,1,0,0,1,0|1,0,0]=3 4592 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000739059_100000210326 [0,1,0,0,1,0|1,0,0]=3 4593 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000090651_100000210326 [0,1,0,0,1,0|2,0,0]=4 4594 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000210326_100000090651 [0,1,0,0,1,0|2,0,0]=4 4595 B14R1.216 CCCCNCCCN1CCCC1=O 2230a_100000210347_100000210211 [0,1,0,0,1,0|1,0,0]=3 4596 B14R1.216 CCCCNCCCN1CCCC1=O 34a_100000210347_100000210210 [0,1,0,0,1,0|1,0,0]=3 4597 B14R1.216 CCCCOCCCN1CCCC1=O 34a_100011216539_100000210210 [0,1,0,0,1,0|1,0,0]=3 4598 B14R1.216 CCCCOCCCN1CCCC1=O 7a_100011216539_100000210211 [0,1,0,0,1,0|1,0,0]=3 4599 B14R1.216 CCCCOCCNC1CCNC1=O 2230a_100016995588_100000743108 [0,1,0,0,1,0|2,0,0]=4 4600 B14R1.216 CCCCOCCNC1CCNC1=O 34a_100016995588_100000743108 [0,1,0,0,1,0|2,0,0]=4 4601 B14R1.216 CCCCOCCOC1CCCC1=O 34a_100000210238_100000709159 [0,1,0,0,1,0|1,0,0]=3 4602 B14R1.216 CCCCOCCOC1CCCC1=O 34a_200000719330_100000743108 [0,1,0,0,1,0|1,0,0]=3 4603 B14R1.216 CCCCOCCOC1CCCC1=O 7a_100000210238_100000211823 [0,1,0,0,1,0|1,0,0]=3 4604 B14R1.216 CCCCOCCOC1CCOC1=O 34a_100000210238_100000211211 [0,1,0,0,1,0|2,0,0]=4 4605 B14R1.216 CCCCOCCOC1CCOC1=O 7a_100000210238_100000211211 [0,1,0,0,1,0|2,0,0]=4 4606 B14R1.216 CCCCOCCO[C@H]1CCNC1=O 34a_100000688343_100000743108 [0,1,0,0,1,0|2,0,0]=4 4607 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000211823_100000743108 [0,1,0,0,1,0|1,0,0]=3 4608 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000743108_100000211823 [0,1,0,0,1,0|1,0,0]=3 4609 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000211211_100000743108 [0,1,0,0,1,0|2,0,0]=4 4610 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000743108_100000211211 [0,1,0,0,1,0|2,0,0]=4 4611 B14R1.216 CCCCOCOCC1CCNC1=O 34a_100000133458_100011995733 [0,1,0,0,1,0|2,0,0]=4 4612 B14R1.216 CCCCOCSCN1CCCC1=O 62a_100000026320_100011995733 [0,1,0,0,1,0|2,0,0]=4 4613 B14R1.216 CCCCOCSCN1CCCC1=O 62a_100011995733_100000026320 [0,1,0,0,1,0|2,0,0]=4 4614 B14R1.216 CCCCSCCNC1CCCC1=O 2230a_100025743550_100000211823 [0,1,0,0,1,0|1,0,0]=3 4615 B14R1.216 CCCCSCCNC1CCOC1=O 2230a_100025743550_100000211211 [0,1,0,0,1,0|2,0,0]=4 4616 B14R1.216 CCCCSCCOC1CCCC1=O 34a_200000230436_100000709159 [0,1,0,0,1,0|1,0,0]=3 4617 B14R1.216 CCCCSCCOC1CCCC1=O 7a_200000230436_100000211823 [0,1,0,0,1,0|1,0,0]=3 4618 B14R1.216 CCCCSCCOC1CCOC1=O 34a_200000230436_100000211211 [0,1,0,0,1,0|2,0,0]=4 4619 B14R1.216 CCCCSCCOC1CCOC1=O 7a_200000230436_100000211211 [0,1,0,0,1,0|2,0,0]=4 4620 B14R1.216 CCCOCCCNC1CCCC1=O 2230a_100011217757_100000211823 [0,1,0,0,1,0|1,0,0]=3 4621 B14R1.216 CCCOCCCNC1CCCC1=O 34a_100011217757_100000709159 [0,1,0,0,1,0|1,0,0]=3 4622 B14R1.216 CCCOCCCNC1CCOC1=O 2230a_100011217757_100000211211 [0,1,0,0,1,0|2,0,0]=4 4623 B14R1.216 CCCOCCCNC1CCOC1=O 34a_100011217757_100000211211 [0,1,0,0,1,0|2,0,0]=4 4624 B14R1.216 CCCOCCOCC1CCNC1=O 34a_100000133458_100011215938 [0,1,0,0,1,0|2,0,0]=4 4625 B14R1.216 CCCOCCSCN1CCCC1=O 62a_100000026320_100011215938 [0,1,0,0,1,0|2,0,0]=4 4626 B14R1.216 CCCOCCSCN1CCCC1=O 62a_100011215938_100000026320 [0,1,0,0,1,0|2,0,0]=4 4627 B14R1.216 CCOCCCOCC1CCNC1=O 34a_100000133458_100012232248 [0,1,0,0,1,0|2,0,0]=4 4628 B14R1.216 CCOCCCSCN1CCCC1=O 62a_100000026320_100012232248 [0,1,0,0,1,0|2,0,0]=4 4629 B14R1.216 CCOCCCSCN1CCCC1=O 62a_100012232248_100000026320 [0,1,0,0,1,0|2,0,0]=4 4630 B14R1.216 CCOCCNCCN1CCCC1=O 2230a_100011200922_100011215890 [0,1,0,0,1,0|2,0,0]=4 4631 B14R1.216 CCOCCNCCN1CCCC1=O 2230a_102516460346_100000739059 [0,1,0,0,1,0|2,0,0]=4 4632 B14R1.216 CCOCCNCCN1CCCC1=O 34a_102516460346_100000739059 [0,1,0,0,1,0|2,0,0]=4 4633 B14R1.216 CCOCCOCCN1CCCC1=O 34a_100000210136_100000739059 [0,1,0,0,1,0|2,0,0]=4 4634 B14R1.216 CCOCCOCCN1CCCC1=O 34a_100000211209_100000210147 [0,1,0,0,1,0|2,0,0]=4 4635 B14R1.216 CCOCCOCCN1CCCC1=O 7a_100000210136_100000739059 [0,1,0,0,1,0|2,0,0]=4 4636 B14R1.216 CCOCCOCCN1CCCC1=O 7a_100000211209_100011215890 [0,1,0,0,1,0|2,0,0]=4 4637 B14R1.216 CCOCCSCCN1CCCC1=O 62a_100000210147_100000739059 [0,1,0,0,1,0|2,0,0]=4 4638 B14R1.216 CCOCCSCCN1CCCC1=O 62a_100000739059_100011215890 [0,1,0,0,1,0|2,0,0]=4 4639 B14R1.216 CCSCCNCCN1CCCC1=O 2230a_100000106463_100000739059 [0,1,0,0,1,0|2,0,0]=4 4640 B14R1.216 CCSCCNCCN1CCCC1=O 2230a_100011200922_100000757381 [0,1,0,0,1,0|2,0,0]=4 4641 B14R1.216 CCSCCOCCN1CCCC1=O 34a_100000211209_100000757381 [0,1,0,0,1,0|2,0,0]=4 4642 B14R1.216 CCSCCOCCN1CCCC1=O 34a_100000212035_100000739059 [0,1,0,0,1,0|2,0,0]=4 4643 B14R1.216 CCSCCOCCN1CCCC1=O 7a_100000211209_100000757381 [0,1,0,0,1,0|2,0,0]=4 4644 B14R1.216 CCSCCOCCN1CCCC1=O 7a_100000212035_100000739059 [0,1,0,0,1,0|2,0,0]=4 4645 B14R1.216 CCSCCSCCN1CCCC1=O 62a_100000739059_100000757381 [0,1,0,0,1,0|2,0,0]=4 4646 B14R1.216 CCSCCSCCN1CCCC1=O 62a_100000757381_100000739059 [0,1,0,0,1,0|2,0,0]=4 4647 B14R1.216 CNCCCCCOC1CCCC1=O 34a_100000722520_100000709159 [0,1,0,0,1,0|1,0,0]=3 4648 B14R1.216 CNCCCCCOC1CCOC1=O 34a_100000722520_100000211211 [0,1,0,0,1,0|2,0,0]=4 4649 B14R1.216 CNCCCOCCN1CCCC1=O 34a_100000213112_100000739059 [0,1,0,0,1,0|2,0,0]=4 4650 B14R1.216 CNCCOCCOC1CCCC1=O 34a_100000228057_100000709159 [0,1,0,0,1,0|2,0,0]=4 4651 B14R1.216 COCCCCCNC1CCCC1=O 2230a_100000747528_100000211823 [0,1,0,0,1,0|1,0,0]=3 4652 B14R1.216 COCCCCCNC1CCCC1=O 34a_100000747528_100000709159 [0,1,0,0,1,0|1,0,0]=3 4653 B14R1.216 COCCCCCNC1CCOC1=O 2230a_100000747528_100000211211 [0,1,0,0,1,0|2,0,0]=4 4654 B14R1.216 COCCCCCNC1CCOC1=O 34a_100000747528_100000211211 [0,1,0,0,1,0|2,0,0]=4 4655 B14R1.216 COCCCCOCC1CCNC1=O 34a_100000133458_100000755781 [0,1,0,0,1,0|2,0,0]=4 4656 B14R1.216 COCCCCSCN1CCCC1=O 62a_100000026320_100000730899 [0,1,0,0,1,0|2,0,0]=4 4657 B14R1.216 COCCCCSCN1CCCC1=O 62a_100000730899_100000026320 [0,1,0,0,1,0|2,0,0]=4 4658 B14R1.216 COCCCNCCN1CCCC1=O 2230a_100011200922_100000740836 [0,1,0,0,1,0|2,0,0]=4 4659 B14R1.216 COCCCNCCN1CCCC1=O 34a_100150723488_100000739059 [0,1,0,0,1,0|2,0,0]=4 4660 B14R1.216 COCCCOCCN1CCCC1=O 34a_100000211209_100000740836 [0,1,0,0,1,0|2,0,0]=4 4661 B14R1.216 COCCCOCCN1CCCC1=O 34a_100000740835_100000739059 [0,1,0,0,1,0|2,0,0]=4 4662 B14R1.216 COCCCOCCN1CCCC1=O 7a_100000211209_100000740836 [0,1,0,0,1,0|2,0,0]=4 4663 B14R1.216 COCCCSCCN1CCCC1=O 62a_100000709357_100000739059 [0,1,0,0,1,0|2,0,0]=4 4664 B14R1.216 COCCCSCCN1CCCC1=O 62a_100000739059_100000709357 [0,1,0,0,1,0|2,0,0]=4 4665 B14R1.216 COCCNCCCN1CCCC1=O 2230a_100000210347_100011201679 [0,1,0,0,1,0|2,0,0]=4 4666 B14R1.216 COCCNCCCN1CCCC1=O 34a_100000210347_100011201679 [0,1,0,0,1,0|2,0,0]=4 4667 B14R1.216 COCCOCCCN1CCCC1=O 34a_100011216539_100011201679 [0,1,0,0,1,0|2,0,0]=4 4668 B14R1.216 COCCOCCCN1CCCC1=O 7a_100011216539_100000233755 [0,1,0,0,1,0|2,0,0]=4 4669 B14R1.216 COCCOCCNC1CCCC1=O 2230a_100000745349_100000211823 [0,1,0,0,1,0|2,0,0]=4 4670 B14R1.216 COCCOCCNC1CCCC1=O 34a_100000745349_100000709159 [0,1,0,0,1,0|2,0,0]=4 4671 B14R1.216 COCCOCCOC1CCCC1=O 34a_100011215163_100000709159 [0,1,0,0,1,0|2,0,0]=4 4672 B14R1.216 COCCOCCOC1CCCC1=O 34a_200000719330_100000695917 [0,1,0,0,1,0|2,0,0]=4 4673 B14R1.216 COCCOCCOC1CCCC1=O 7a_100011215163_100000211823 [0,1,0,0,1,0|2,0,0]=4 4674 B14R1.216 COCCOCCSC1CCCC1=O 62a_100000211823_100000695917 [0,1,0,0,1,0|2,0,0]=4 4675 B14R1.216 COCCOCCSC1CCCC1=O 62a_100000695917_100000211823 [0,1,0,0,1,0|2,0,0]=4 4676 B14R1.216 CSCCCNCCN1CCCC1=O 2230a_100000749238_100000739059 [0,1,0,0,1,0|2,0,0]=4 4677 B14R1.216 CSCCCOCCN1CCCC1=O 34a_100000690336_100000739059 [0,1,0,0,1,0|2,0,0]=4 4678 B14R1.216 CSCCCOCCN1CCCC1=O 7a_100000690336_100000739059 [0,1,0,0,1,0|2,0,0]=4 4679 B14R1.216 CSCCNCCCN1CCCC1=O 2230a_100000210347_100000751147 [0,1,0,0,1,0|2,0,0]=4 4680 B14R1.216 CSCCNCCCN1CCCC1=O 34a_100000210347_100000212216 [0,1,0,0,1,0|2,0,0]=4 4681 B14R1.216 CSCCOCCCN1CCCC1=O 34a_100011216539_100000212216 [0,1,0,0,1,0|2,0,0]=4 4682 B14R1.216 CSCCOCCCN1CCCC1=O 7a_100011216539_100000212216 [0,1,0,0,1,0|2,0,0]=4 4683 B14R1.216 N#CCCCCCSC1CCCC1=O 62a_100000211823_100009813376 [0,1,0,0,1,0|1,0,1]=4 4684 B14R1.216 N#CCCCCCSC1CCCC1=O 62a_100009813376_100000211823 [0,1,0,0,1,0|1,0,1]=4 4685 B14R1.216 NCCCCCCOC1CCCC1=O 34a_100000686447_100000709159 [0,1,0,0,1,0|1,0,0]=3 4686 B14R1.216 NCCCCCCOC1CCOC1=O 34a_100000686447_100000211211 [0,1,0,0,1,0|2,0,0]=4 4687 B14R1.216 NCCCCOCCN1CCCC1=O 34a_100000750430_100000739059 [0,1,0,0,1,0|2,0,0]=4 4688 B14R1.216 O=C1CCCC1NCCCCCCO 2230a_100000686447_100000211823 [0,1,0,0,1,0|1,0,0]=3 4689 B14R1.216 O=C1CCCC1NCCCCCCO 34a_100000686447_100000709159 [0,1,0,0,1,0|1,0,0]=3 4690 B14R1.216 O=C1CCCC1OCCCCCCBr 34a_100011215345_100000709159 [0,1,0,0,1,0|1,0,0]=3 4691 B14R1.216 O=C1CCCC1OCCCCCCBr 7a_100011215345_100000211823 [0,1,0,0,1,0|1,0,0]=3 4692 B14R1.216 O=C1CCCC1OCCCCCCCl 34a_100000766143_100000709159 [0,1,0,0,1,0|1,0,0]=3 4693 B14R1.216 O=C1CCCC1OCCCCCCCl 7a_100000766143_100000211823 [0,1,0,0,1,0|1,0,0]=3 4694 B14R1.216 O=C1CCCC1OCCCCCCF 34a_100000732779_100000709159 [0,1,0,0,1,0|1,0,0]=3 4695 B14R1.216 O=C1CCCC1OCCCCCCF 34a_200000719330_100015922095 [0,1,0,0,1,0|1,0,0]=3 4696 B14R1.216 O=C1CCCC1OCCCCCCF 7a_100000732779_100000211823 [0,1,0,0,1,0|1,0,0]=3 4697 B14R1.216 O=C1CCCC1OCCCCCCO 34a_200000719330_100000766143 [0,1,0,0,1,0|1,0,0]=3 4698 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100000211823_100015922095 [0,1,0,0,1,0|1,0,0]=3 4699 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100015922095_100000211823 [0,1,0,0,1,0|1,0,0]=3 4700 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000211823_100000766143 [0,1,0,0,1,0|1,0,0]=3 4701 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000766143_100000211823 [0,1,0,0,1,0|1,0,0]=3 4702 B14R1.216 O=C1CCCN1CCCNCCCF 2230a_100000210347_100011934791 [0,1,0,0,1,0|2,0,0]=4 4703 B14R1.216 O=C1CCCN1CCCNCCCF 34a_100000210347_100011934791 [0,1,0,0,1,0|2,0,0]=4 4704 B14R1.216 O=C1CCCN1CCCNCCCO 2230a_100000210347_100000230001 [0,1,0,0,1,0|2,0,0]=4 4705 B14R1.216 O=C1CCCN1CCCNCCCO 34a_100000210347_100000230001 [0,1,0,0,1,0|2,0,0]=4 4706 B14R1.216 O=C1CCCN1CCCOCCCF 34a_100011216539_100011934791 [0,1,0,0,1,0|2,0,0]=4 4707 B14R1.216 O=C1CCCN1CCCOCCCF 7a_100011216539_100011934791 [0,1,0,0,1,0|2,0,0]=4 4708 B14R1.216 O=C1CCCN1CCCOCCCO 34a_100011216539_100000230001 [0,1,0,0,1,0|2,0,0]=4 4709 B14R1.216 O=C1CCCN1CCCOCCCO 7a_100011216539_100011215043 [0,1,0,0,1,0|2,0,0]=4 4710 B14R1.216 O=C1CCCN1CCNCCCCF 2230a_100011200922_100000729493 [0,1,0,0,1,0|2,0,0]=4 4711 B14R1.216 O=C1CCCN1CCNCCCCO 2230a_100000750430_100000739059 [0,1,0,0,1,0|2,0,0]=4 4712 B14R1.216 O=C1CCCN1CCNCCCCO 2230a_100011200922_100000210776 [0,1,0,0,1,0|2,0,0]=4 4713 B14R1.216 O=C1CCCN1CCNCCCCO 34a_100000750430_100000739059 [0,1,0,0,1,0|2,0,0]=4 4714 B14R1.216 O=C1CCCN1CCOCCCCBr 34a_100011216708_100000739059 [0,1,0,0,1,0|2,0,0]=4 4715 B14R1.216 O=C1CCCN1CCOCCCCCl 34a_100000210776_100000739059 [0,1,0,0,1,0|2,0,0]=4 4716 B14R1.216 O=C1CCCN1CCOCCCCCl 7a_100000210776_100000739059 [0,1,0,0,1,0|2,0,0]=4 4717 B14R1.216 O=C1CCCN1CCOCCCCF 34a_100000211209_100000729493 [0,1,0,0,1,0|2,0,0]=4 4718 B14R1.216 O=C1CCCN1CCOCCCCF 34a_100011995726_100000739059 [0,1,0,0,1,0|2,0,0]=4 4719 B14R1.216 O=C1CCCN1CCOCCCCF 7a_100000211209_100000729493 [0,1,0,0,1,0|2,0,0]=4 4720 B14R1.216 O=C1CCCN1CCOCCCCF 7a_100011995726_100000739059 [0,1,0,0,1,0|2,0,0]=4 4721 B14R1.216 O=C1CCCN1CCOCCCCI 34a_200012148704_100000739059 [0,1,0,0,1,0|2,0,0]=4 4722 B14R1.216 O=C1CCCN1CCOCCCCO 34a_100000211209_100011216708 [0,1,0,0,1,0|2,0,0]=4 4723 B14R1.216 O=C1CCCN1CCOCCCCO 7a_100000211209_100000210776 [0,1,0,0,1,0|2,0,0]=4 4724 B14R1.216 O=C1CCCN1CCSCCCCF 62a_100000729493_100000739059 [0,1,0,0,1,0|2,0,0]=4 4725 B14R1.216 O=C1CCCN1CCSCCCCF 62a_100000739059_100000729493 [0,1,0,0,1,0|2,0,0]=4 4726 B14R1.216 O=C1CCCN1CCSCCCCO 62a_100000210776_100000739059 [0,1,0,0,1,0|2,0,0]=4 4727 B14R1.216 O=C1CCCN1CCSCCCCO 62a_100000739059_100000210776 [0,1,0,0,1,0|2,0,0]=4 4728 B14R1.216 O=C1CCCN1CSCCCCCF 62a_100000026320_100000729378 [0,1,0,0,1,0|2,0,0]=4 4729 B14R1.216 O=C1CCCN1CSCCCCCF 62a_100000729378_100000026320 [0,1,0,0,1,0|2,0,0]=4 4730 B14R1.216 O=C1CCCN1CSCCCCCO 62a_100000026320_100000746330 [0,1,0,0,1,0|2,0,0]=4 4731 B14R1.216 O=C1CCCN1CSCCCCCO 62a_100000746330_100000026320 [0,1,0,0,1,0|2,0,0]=4 4732 B14R1.216 O=C1NCCC1COCCCCCF 34a_100000133458_100000729378 [0,1,0,0,1,0|2,0,0]=4 4733 B14R1.216 O=C1NCCC1COCCCCCO 34a_100000133458_100000746330 [0,1,0,0,1,0|2,0,0]=4 4734 B14R1.216 O=C1NCCC1NCCCCCCF 2230a_100016995588_100015922095 [0,1,0,0,1,0|2,0,0]=4 4735 B14R1.216 O=C1NCCC1NCCCCCCF 34a_100016995588_100015922095 [0,1,0,0,1,0|2,0,0]=4 4736 B14R1.216 O=C1NCCC1NCCCCCCO 2230a_100016995588_100000766143 [0,1,0,0,1,0|2,0,0]=4 4737 B14R1.216 O=C1NCCC1NCCCCCCO 34a_100016995588_100000766143 [0,1,0,0,1,0|2,0,0]=4 4738 B14R1.216 O=C1NCC[C@@H]1OCCCCCCF 34a_100000688343_100015922095 [0,1,0,0,1,0|2,0,0]=4 4739 B14R1.216 O=C1NCC[C@@H]1OCCCCCCO 34a_100000688343_100000766143 [0,1,0,0,1,0|2,0,0]=4 4740 B14R1.216 O=C1OCCC1NCCCCCCO 2230a_100000686447_100000211211 [0,1,0,0,1,0|2,0,0]=4 4741 B14R1.216 O=C1OCCC1NCCCCCCO 34a_100000686447_100000211211 [0,1,0,0,1,0|2,0,0]=4 4742 B14R1.216 O=C1OCCC1OCCCCCCBr 34a_100011215345_100000211211 [0,1,0,0,1,0|2,0,0]=4 4743 B14R1.216 O=C1OCCC1OCCCCCCBr 7a_100011215345_100000211211 [0,1,0,0,1,0|2,0,0]=4 4744 B14R1.216 O=C1OCCC1OCCCCCCCl 34a_100000766143_100000211211 [0,1,0,0,1,0|2,0,0]=4 4745 B14R1.216 O=C1OCCC1OCCCCCCCl 7a_100000766143_100000211211 [0,1,0,0,1,0|2,0,0]=4 4746 B14R1.216 O=C1OCCC1OCCCCCCF 34a_100000732779_100000211211 [0,1,0,0,1,0|2,0,0]=4 4747 B14R1.216 O=C1OCCC1OCCCCCCF 7a_100000732779_100000211211 [0,1,0,0,1,0|2,0,0]=4 4748 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100000211211_100015922095 [0,1,0,0,1,0|2,0,0]=4 4749 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100015922095_100000211211 [0,1,0,0,1,0|2,0,0]=4 4750 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000211211_100000766143 [0,1,0,0,1,0|2,0,0]=4 4751 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000766143_100000211211 [0,1,0,0,1,0|2,0,0]=4 4752 B14R1.216 O=CCCCCCSC1CCCC1=O 62a_100000139337_100000211823 [0,1,0,0,1,0|1,0,1]=4 4753 B14R1.216 O=CCCCCCSC1CCCC1=O 62a_100000211823_100000139337 [0,1,0,0,1,0|1,0,1]=4 4754 B14R1.819 CCC(C)CCCOC1CCCC1=O 7a_100011216074_100000211823 [0,1,0,0,1,0|1,0,0]=3 4755 B14R1.819 CCC(C)CCCOC1CCOC1=O 7a_100011216074_100000211211 [0,1,0,0,1,0|2,0,0]=4 4756 B14R1.819 CCC(C)CNCCN1CCCC1=O 2230a_100011200922_100000748023 [0,1,0,0,1,0|2,0,0]=4 4757 B14R1.819 CCC(C)CNCCN1CCCC1=O 2230a_100020588543_100000739059 [0,1,0,0,1,0|2,0,0]=4 4758 B14R1.819 CCC(C)CNCCN1CCCC1=O 270004a_100011200922_100000243153 [0,1,0,0,1,0|2,0,0]=4 4759 B14R1.819 CCC(C)COCCN1CCCC1=O 34a_100000211209_100000748023 [0,1,0,0,1,0|2,0,0]=4 4760 B14R1.819 CCC(C)COCCN1CCCC1=O 7a_100000211209_100000748023 [0,1,0,0,1,0|2,0,0]=4 4761 B14R1.819 CCC(C)CSCCN1CCCC1=O 62a_100000739059_100000748023 [0,1,0,0,1,0|2,0,0]=4 4762 B14R1.819 CCC(C)CSCCN1CCCC1=O 62a_100000748023_100000739059 [0,1,0,0,1,0|2,0,0]=4 4763 B14R1.819 CCC(C)NCCCN1CCCC1=O 2230a_100000210347_100000758301 [0,1,0,0,1,0|2,0,0]=4 4764 B14R1.819 CCC(C)NCCCN1CCCC1=O 34a_100000210347_100011215416 [0,1,0,0,1,0|2,0,0]=4 4765 B14R1.819 CCC(C)OCCCN1CCCC1=O 34a_100011216539_100011215416 [0,1,0,0,1,0|2,0,0]=4 4766 B14R1.819 CCC(C)OCCCN1CCCC1=O 7a_100011216539_100000758301 [0,1,0,0,1,0|2,0,0]=4 4767 B14R1.819 CCC(O)CNCCN1CCCC1=O 2230a_100011200922_100011218378 [0,1,0,0,1,0|2,0,0]=4 4768 B14R1.819 CCC(O)CNCCN1CCCC1=O 2230a_100011218483_100000739059 [0,1,0,0,1,0|2,0,0]=4 4769 B14R1.819 CCC(O)COCCN1CCCC1=O 34a_100000211209_100011218378 [0,1,0,0,1,0|2,0,0]=4 4770 B14R1.819 CCC(O)COCCN1CCCC1=O 7a_100000211209_100011218378 [0,1,0,0,1,0|2,0,0]=4 4771 B14R1.819 CCC(O)CSCCN1CCCC1=O 62a_100000739059_100011218378 [0,1,0,0,1,0|2,0,0]=4 4772 B14R1.819 CCC(O)CSCCN1CCCC1=O 62a_100011218378_100000739059 [0,1,0,0,1,0|2,0,0]=4 4773 B14R1.819 CCN(C)CCCSC1CCCC1=O 62a_100000211823_100015186262 [0,1,0,0,1,0|2,0,0]=4 4774 B14R1.819 CC[C@H](C)CNCCN1CCCC1=O 2230a_100011200922_100009816398 [0,1,0,0,1,0|2,0,0]=4 4775 B14R1.819 CC[C@H](C)COCCN1CCCC1=O 34a_100000211209_100009816398 [0,1,0,0,1,0|2,0,0]=4 4776 B14R1.819 CC[C@H](C)COCCN1CCCC1=O 7a_100000211209_100009816398 [0,1,0,0,1,0|2,0,0]=4 4777 B14R1.819 CC[C@H](C)COCCN1CCCC1=O 7a_100009816381_100000739059 [0,1,0,0,1,0|2,0,0]=4 4778 B14R1.819 CC[C@H](C)CSCCN1CCCC1=O 62a_100000739059_100009816398 [0,1,0,0,1,0|2,0,0]=4 4779 B14R1.819 CC[C@H](C)CSCCN1CCCC1=O 62a_100009816398_100000739059 [0,1,0,0,1,0|2,0,0]=4 4780 B14R1.819 C[C@@H](CN)CCCOC1CCCC1=O 34a_100160569302_100000709159 [0,1,0,0,1,0|2,0,0]=4 4781 B14R1.916 CCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210211 [0,1,0,0,1,0|1,0,1]=4 4782 B14R1.916 CCCCC(=O)CCN1CCCC1=O 1458a_100000210183_100000742232 [0,1,0,0,1,0|1,0,1]=4 4783 B14R1.916 CCCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210211 [0,1,0,0,1,0|1,0,1]=4 4784 B14R1.916 CCCCC(C)COC1CCCC1=O 34a_100011995851_100000709159 [0,1,0,0,1,0|1,0,0]=3 4785 B14R1.916 CCCCC(C)COC1CCCC1=O 7a_100011995851_100000211823 [0,1,0,0,1,0|1,0,0]=3 4786 B14R1.916 CCCCC(C)COC1CCOC1=O 34a_100011995851_100000211211 [0,1,0,0,1,0|2,0,0]=4 4787 B14R1.916 CCCCC(C)COC1CCOC1=O 7a_100011995851_100000211211 [0,1,0,0,1,0|2,0,0]=4 4788 B14R1.916 CCCCC(C)OCC1CCNC1=O 34a_100000133458_200011215066 [0,1,0,0,1,0|2,0,0]=4 4789 B14R1.916 CCCCC(C)SCN1CCCC1=O 62a_100000026320_200011215066 [0,1,0,0,1,0|2,0,0]=4 4790 B14R1.916 CCCCC(C)SCN1CCCC1=O 62a_200011215066_100000026320 [0,1,0,0,1,0|2,0,0]=4 4791 B14R1.916 CCCCN(C)CCN1CCCC1=O 2230a_100000207549_100000739059 [0,1,0,0,1,0|2,0,0]=4 4792 B14R1.916 CCCCN(C)CCN1CCCC1=O 269982a_100000207549_100000739059 [0,1,0,0,1,0|2,0,0]=4 4793 B14R1.916 CCCC[C@H](N)COC1CCCC1=O 34a_100011934283_100000709159 [0,1,0,0,1,0|1,0,0]=3 4794 B14R1.916 CCCC[C@H](N)COC1CCOC1=O 34a_100011934283_100000211211 [0,1,0,0,1,0|2,0,0]=4 4795 B14R1.916 CCCOC(C)CNC1CCCC1=O 2230a_100015185124_100000211823 [0,1,0,0,1,0|2,0,0]=4 4796 B14R1.916 CCCOC(C)CNC1CCCC1=O 34a_100015185124_100000709159 [0,1,0,0,1,0|2,0,0]=4 4797 B14R1.916 CCOCC(O)CNC1CCCC1=O 2230a_102515437182_100000211823 [0,1,0,0,1,0|2,0,0]=4 4798 B14R1.916 CCOCC(O)CNC1CCCC1=O 34a_102515437182_100000709159 [0,1,0,0,1,0|2,0,0]=4 4799 B14R1.916 CSCC[C@H](N)COC1CCCC1=O 34a_100011827619_100000709159 [0,1,0,0,1,0|2,0,0]=4 4800 B14R1.916 C[C@H](CCCO)CNC1CCCC1=O 2230a_100160569302_100000211823 [0,1,0,0,1,0|2,0,0]=4 4801 B14R1.916 C[C@H](CCCO)CNC1CCCC1=O 34a_100160569302_100000709159 [0,1,0,0,1,0|2,0,0]=4 4802 B14R1.948 CCCC(C)CCOC1CCCC1=O 34a_100011217855_100000709159 [0,1,0,0,1,0|1,0,0]=3 4803 B14R1.948 CCCC(C)CCOC1CCCC1=O 7a_100011217855_100000211823 [0,1,0,0,1,0|1,0,0]=3 4804 B14R1.948 CCCC(C)CCOC1CCOC1=O 34a_100011217855_100000211211 [0,1,0,0,1,0|2,0,0]=4 4805 B14R1.948 CCCC(C)CCOC1CCOC1=O 7a_100011217855_100000211211 [0,1,0,0,1,0|2,0,0]=4 4806 B14R1.948 CCCC(C)COCC1CCNC1=O 34a_100000133458_100011216630 [0,1,0,0,1,0|2,0,0]=4 4807 B14R1.948 CCCC(C)CSCN1CCCC1=O 62a_100000026320_100011216630 [0,1,0,0,1,0|2,0,0]=4 4808 B14R1.948 CCCC(C)CSCN1CCCC1=O 62a_100011216630_100000026320 [0,1,0,0,1,0|2,0,0]=4 4809 B14R1.948 CCCC(C)NCCN1CCCC1=O 2230a_100000741246_100000739059 [0,1,0,0,1,0|2,0,0]=4 4810 B14R1.948 CCCC(C)NCCN1CCCC1=O 2230a_100011200922_100000766640 [0,1,0,0,1,0|2,0,0]=4 4811 B14R1.948 CCCC(C)NCCN1CCCC1=O 270004a_100011200922_100000211909 [0,1,0,0,1,0|2,0,0]=4 4812 B14R1.948 CCCC(C)OCCN1CCCC1=O 34a_100000211209_100000766640 [0,1,0,0,1,0|2,0,0]=4 4813 B14R1.948 CCCC(C)OCCN1CCCC1=O 34a_100000764384_100000739059 [0,1,0,0,1,0|2,0,0]=4 4814 B14R1.948 CCCC(C)OCCN1CCCC1=O 7a_100000211209_100000766640 [0,1,0,0,1,0|2,0,0]=4 4815 B14R1.948 CCCC(C)OCCN1CCCC1=O 7a_100000764384_100000739059 [0,1,0,0,1,0|2,0,0]=4 4816 B14R1.948 CCCC(C)SCCN1CCCC1=O 62a_100000739059_100000766640 [0,1,0,0,1,0|2,0,0]=4 4817 B14R1.948 CCCC(C)SCCN1CCCC1=O 62a_100000766640_100000739059 [0,1,0,0,1,0|2,0,0]=4 4818 B14R1.948 CCC[C@H](N)CCOC1CCCC1=O 34a_100015193777_100000709159 [0,1,0,0,1,0|1,0,0]=3 4819 B14R1.948 CCC[C@H](N)CCOC1CCOC1=O 34a_100015193777_100000211211 [0,1,0,0,1,0|2,0,0]=4 4820 B14R1.1047 CCCCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210326 [0,1,0,0,1,0|1,0,1]=4 4821 B14R1.1047 CCCCCC(C)NC1CCCC1=O 2230a_100000211957_100000211823 [0,1,0,0,1,0|1,0,0]=3 4822 B14R1.1047 CCCCCC(C)NC1CCNC1=O 2230a_100016995588_200011218191 [0,1,0,0,1,0|2,0,0]=4 4823 B14R1.1047 CCCCCC(C)NC1CCNC1=O 270004a_100016995588_100000211708 [0,1,0,0,1,0|2,0,0]=4 4824 B14R1.1047 CCCCCC(C)NC1CCNC1=O 34a_100016995588_200011218191 [0,1,0,0,1,0|2,0,0]=4 4825 B14R1.1047 CCCCCC(C)NC1CCOC1=O 2230a_100000211957_100000211211 [0,1,0,0,1,0|2,0,0]=4 4826 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_100011215632_100000709159 [0,1,0,0,1,0|1,0,0]=3 4827 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_200000719330_200011218191 [0,1,0,0,1,0|1,0,0]=3 4828 B14R1.1047 CCCCCC(C)OC1CCCC1=O 7a_100011215632_100000211823 [0,1,0,0,1,0|1,0,0]=3 4829 B14R1.1047 CCCCCC(C)OC1CCOC1=O 34a_100011215632_100000211211 [0,1,0,0,1,0|2,0,0]=4 4830 B14R1.1047 CCCCCC(C)OC1CCOC1=O 7a_100011215632_100000211211 [0,1,0,0,1,0|2,0,0]=4 4831 B14R1.1047 CCCCCC(C)O[C@H]1CCNC1=O 34a_100000688343_200011218191 [0,1,0,0,1,0|2,0,0]=4 4832 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_100000211823_200011218191 [0,1,0,0,1,0|1,0,0]=3 4833 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_200011218191_100000211823 [0,1,0,0,1,0|1,0,0]=3 4834 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_100000211211_200011218191 [0,1,0,0,1,0|2,0,0]=4 4835 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_200011218191_100000211211 [0,1,0,0,1,0|2,0,0]=4 4836 B14R1.1047 CCCCCN(C)CN1CCCC1=O 269982a_100000223495_100000026320 [0,1,0,0,1,0|2,0,0]=4 4837 B14R1.1047 COCCCC(C)OC1CCCC1=O 34a_200011539412_100000709159 [0,1,0,0,1,0|2,0,0]=4 4838 B14R1.1047 COCCCC(C)OC1CCCC1=O 7a_200011539412_100000211823 [0,1,0,0,1,0|2,0,0]=4 4839 B14R1.1237 CCCCCCNC1C(=O)CCC1=O 2230a_100000210581_100009820769 [0,1,0,0,1,0|1,0,1]=4 4840 B14R1.1237 CCCCCCOC1C(=O)CCC1=O 7a_100000210259_100009820769 [0,1,0,0,1,0|1,0,1]=4 4841 B14R1.1237 CCCCCCSC1C(=O)CCC1=O 62a_100000210314_100009820769 [0,1,0,0,1,0|1,0,1]=4 4842 B14R1.1237 CCCCCCSC1C(=O)CCC1=O 62a_100009820769_100000210757 [0,1,0,0,1,0|1,0,1]=4 4843 B14R1.3360 CCCCCCC(=O)C1CCCC1=O 1458a_100102632555_100000211823 [0,1,0,0,1,0|0,0,1]=3 4844 B14R1.3360 CCCCCCC(=O)C1CCOC1=O 1458a_100102632555_100000211211 [0,1,0,0,1,0|1,0,1]=4 4845 B14R1.3360 CCCCCCN(C)C1CCCC1=O 2230a_106256046315_100000211823 [0,1,0,0,1,0|1,0,0]=3 4846 B14R1.3360 CCCCCCN(C)C1CCCC1=O 269982a_106256046315_100000211823 [0,1,0,0,1,0|1,0,0]=3 4847 B14R1.3360 CCCCCCN(C)C1CCOC1=O 2230a_106256046315_100000211211 [0,1,0,0,1,0|2,0,0]=4 4848 B14R1.3360 CCCCCCN(C)C1CCOC1=O 269982a_106256046315_100000211211 [0,1,0,0,1,0|2,0,0]=4 4849 B14R1.3360 CCCCOCC(=O)C1CCCC1=O 1458a_100000757543_100000211823 [0,1,0,0,1,0|1,0,1]=4 4850 B14R1.3360 CCCCSCC(=O)C1CCCC1=O 1458a_100000191162_100000211823 [0,1,0,0,1,0|1,0,1]=4 4851 B14R1.3360 CN(CCCCCO)C1CCCC1=O 2230a_100000722520_100000211823 [0,1,0,0,1,0|2,0,0]=4 4852 B14R1.3360 CN(CCCCCO)C1CCCC1=O 269982a_100000722520_100000211823 [0,1,0,0,1,0|2,0,0]=4 4853 B14R1.3360 O=C(CCCCCO)C1CCCC1=O 1458a_100102619762_100000211823 [0,1,0,0,1,0|1,0,1]=4 4854 B16R1.8377 CCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210759 [0,1,0,0,0,1|2,0,0]=4 4855 B16R1.8377 COCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100011998445 [0,1,0,0,0,1|2,0,0]=4 4856 B16R1.8377 O=C1CN(CCCN1)CCCCCCCO 2230a_100015190381_100000760002 [0,1,0,0,0,1|2,0,0]=4 4857 B16R1.8787 CC(C)CCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210682 [0,1,0,0,0,1|2,0,0]=4 4858 B16R1.23403 CCCCCCCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210681 [0,1,0,0,0,1|2,0,0]=4 4859 B16R1.23403 CCCCCCCN1CCCN(C(=O)C1)C 269982a_100000709885_100000210681 [0,1,0,0,0,1|2,0,0]=4 4860 B16R1.23403 CCCCCCCN1CCCN(C(=O)C1)C 34a_100000709885_100000210614 [0,1,0,0,0,1|2,0,0]=4 4861 B16R1.26544 CCCCCCC(C)N1CCCNC(=O)C1 2230a_100015190381_100011215978 [0,1,0,0,0,1|2,0,0]=4 4862 B16R1.26544 CCCCCCC(C)N1CCCNC(=O)C1 270004a_100015190381_100000210826 [0,1,0,0,0,1|2,0,0]=4 4863 B16R1.75 CCCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210314 [0,2,0,0,0,0|1,0,0]=3 4864 B16R1.75 CCCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000210314 [0,2,0,0,0,0|1,0,0]=3 4865 B16R1.75 CCCCOCNCC1CCCC(=O)N1C 2230a_200010383782_100011995733 [0,2,0,0,0,0|2,0,0]=4 4866 B16R1.75 CCCCOCNCC1CCCC(=O)N1C 34a_200010383782_100011995733 [0,2,0,0,0,0|2,0,0]=4 4867 B16R1.75 CCCOCCNCC1CCCC(=O)N1C 2230a_200010383782_100011215938 [0,2,0,0,0,0|2,0,0]=4 4868 B16R1.75 CCCOCCNCC1CCCC(=O)N1C 34a_200010383782_100011215938 [0,2,0,0,0,0|2,0,0]=4 4869 B16R1.75 CCOCCCNCC1CCCC(=O)N1C 2230a_200010383782_100012232248 [0,2,0,0,0,0|2,0,0]=4 4870 B16R1.75 CCOCCCNCC1CCCC(=O)N1C 34a_200010383782_100012232248 [0,2,0,0,0,0|2,0,0]=4 4871 B16R1.75 CN1C(=O)CCCC1CNCCCCCF 2230a_200010383782_100000729378 [0,2,0,0,0,0|2,0,0]=4 4872 B16R1.75 CN1C(=O)CCCC1CNCCCCCF 34a_200010383782_100000729378 [0,2,0,0,0,0|2,0,0]=4 4873 B16R1.75 CN1C(=O)CCCC1CNCCCCCO 2230a_200010383782_100000746330 [0,2,0,0,0,0|2,0,0]=4 4874 B16R1.75 CN1C(=O)CCCC1CNCCCCCO 34a_200010383782_100000746330 [0,2,0,0,0,0|2,0,0]=4 4875 B16R1.75 COCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000730899 [0,2,0,0,0,0|2,0,0]=4 4876 B16R1.75 COCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000755781 [0,2,0,0,0,0|2,0,0]=4 4877 B16R1.84 CC(C)CCCNCC1CCCC(=O)N1C 2230a_200010383782_100011214892 [0,2,0,0,0,0|2,0,0]=4 4878 B16R1.84 CC(C)CCCNCC1CCCC(=O)N1C 34a_200010383782_100011214892 [0,2,0,0,0,0|2,0,0]=4 4879 B16R1.84 CC(O)CCCNCC1CCCC(=O)N1C 2230a_200010383782_200000718107 [0,2,0,0,0,0|2,0,0]=4 4880 B16R1.84 CC(O)CCCNCC1CCCC(=O)N1C 34a_200010383782_200000718107 [0,2,0,0,0,0|2,0,0]=4 4881 B16R1.87 CCCCC(C)NCC1CCCC(=O)N1C 2230a_200010383782_200011215066 [0,2,0,0,0,0|2,0,0]=4 4882 B16R1.87 CCCCC(C)NCC1CCCC(=O)N1C 270004a_200010383782_100000210087 [0,2,0,0,0,0|2,0,0]=4 4883 B16R1.87 CCCCC(C)NCC1CCCC(=O)N1C 34a_200010383782_200011215066 [0,2,0,0,0,0|2,0,0]=4 4884 B16R1.738 CCCC(C)CNCC1CCCC(=O)N1C 2230a_200010383782_100011216630 [0,2,0,0,0,0|2,0,0]=4 4885 B16R1.738 CCCC(C)CNCC1CCCC(=O)N1C 270004a_200010383782_100000243154 [0,2,0,0,0,0|2,0,0]=4 4886 B16R1.738 CCCC(C)CNCC1CCCC(=O)N1C 34a_200010383782_100011216630 [0,2,0,0,0,0|2,0,0]=4 4887 B16R1.62 CCCCCC(C)C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200011218191 [0,2,0,0,0,0|1,0,1]=4 4888 B16R1.92 CCCCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210614 [0,2,0,0,0,0|2,0,0]=4 4889 B16R1.92 CCCCCCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210614 [0,2,0,0,0,0|2,0,0]=4 4890 B16R1.92 CCCCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210614 [0,2,0,0,0,0|1,0,0]=3 4891 B16R1.92 CCCCCCNC(=O)[C@H]1CCCC(=O)N1 240690a_100000210581_100000705292 [0,2,0,0,0,0|1,0,1]=4 4892 B16R1.92 CCCCCCNC(=O)[C@H]1CCCC(=O)N1 527a_100000210581_100000705292 [0,2,0,0,0,0|1,0,1]=4 4893 B16R1.92 CCCCOCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000743108 [0,2,0,0,0,0|1,0,1]=4 4894 B16R1.92 O=C1CCC[C@@H](N1)C(=O)CCCCCCF 1458a_100000705292_100015922095 [0,2,0,0,0,0|1,0,1]=4 4895 B16R1.92 O=C1CCC[C@@H](N1)C(=O)CCCCCCO 1458a_100000705292_100000766143 [0,2,0,0,0,0|1,0,1]=4 4896 B16R1.11186 CC(C)CCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100011216152 [0,2,0,0,0,0|1,0,1]=4 4897 B16R1.27 C#CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100012276617 [0,2,0,0,0,0|1,0,1]=4 4898 B16R1.27 C#CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100012094781 [0,2,0,0,0,0|1,0,1]=4 4899 B16R1.27 C=CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011215473 [0,2,0,0,0,0|1,0,1]=4 4900 B16R1.27 C=CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000700193 [0,2,0,0,0,0|1,0,1]=4 4901 B16R1.27 CC1=CC(CCC1)OCCCCCCCO 34a_100011218613_100000760002 [0,2,0,0,0,0|2,0,0]=4 4902 B16R1.27 CCCCCC#CCOC1CCCC(=O)C1 34a_100012613340_100009816472 [0,2,0,0,0,0|1,0,1]=4 4903 B16R1.27 CCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210759 [0,2,0,0,0,0|2,0,0]=4 4904 B16R1.27 CCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210759 [0,2,0,0,0,0|2,0,0]=4 4905 B16R1.27 CCCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210759 [0,2,0,0,0,0|2,0,0]=4 4906 B16R1.27 CCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210759 [0,2,0,0,0,0|1,0,0]=3 4907 B16R1.27 CCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210759 [0,2,0,0,0,0|2,0,0]=4 4908 B16R1.27 CCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210614 [0,2,0,0,0,0|1,0,0]=3 4909 B16R1.27 CCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210614 [0,2,0,0,0,0|2,0,0]=4 4910 B16R1.27 CCCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210614 [0,2,0,0,0,0|2,0,0]=4 4911 B16R1.27 CCCCOCCOCC1CCCC(=O)N1 34a_200000102386_100000743108 [0,2,0,0,0,0|1,0,0]=3 4912 B16R1.27 CCCCOCCOCC1CCNC(=O)C1 34a_100009886756_100000743108 [0,2,0,0,0,0|2,0,0]=4 4913 B16R1.27 CCCCOCCOCC1COCC(=O)N1 34a_200000101122_100000743108 [0,2,0,0,0,0|2,0,0]=4 4914 B16R1.27 CCOCCOCCOC1CCCC(=O)C1 34a_100012613340_100011211534 [0,2,0,0,0,0|2,0,0]=4 4915 B16R1.27 COCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100011998445 [0,2,0,0,0,0|2,0,0]=4 4916 B16R1.27 COCCCCCCNC1CCNC(=O)C1 34a_100016994916_100011998445 [0,2,0,0,0,0|2,0,0]=4 4917 B16R1.27 COCCCCCCOC1C=C(CCC1)C 34a_100011218613_100011998445 [0,2,0,0,0,0|2,0,0]=4 4918 B16R1.27 COCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011998445 [0,2,0,0,0,0|1,0,0]=3 4919 B16R1.27 COCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011998445 [0,2,0,0,0,0|2,0,0]=4 4920 B16R1.27 COCCOCCCOC1CCCC(=O)C1 34a_100012613340_100011216529 [0,2,0,0,0,0|2,0,0]=4 4921 B16R1.27 COCCOCCOCC1CCCC(=O)N1 34a_200000102386_100000695917 [0,2,0,0,0,0|2,0,0]=4 4922 B16R1.27 O=C1CC(CCN1)COCCCCCCF 34a_100009886756_100015922095 [0,2,0,0,0,0|2,0,0]=4 4923 B16R1.27 O=C1CC(CCN1)COCCCCCCO 34a_100009886756_100000766143 [0,2,0,0,0,0|2,0,0]=4 4924 B16R1.27 O=C1CC(CCN1)NCCCCCCCO 2230a_100016994916_100000760002 [0,2,0,0,0,0|2,0,0]=4 4925 B16R1.27 O=C1CC(CCN1)NCCCCCCCO 34a_100016994916_100000760002 [0,2,0,0,0,0|2,0,0]=4 4926 B16R1.27 O=C1CCCC(C1)OCCCCCCCO 34a_100012613340_100000760002 [0,2,0,0,0,0|1,0,0]=3 4927 B16R1.27 O=C1CCCC(N1)COCCCCCCF 34a_200000102386_100015922095 [0,2,0,0,0,0|1,0,0]=3 4928 B16R1.27 O=C1CCCC(N1)COCCCCCCO 34a_200000102386_100000766143 [0,2,0,0,0,0|1,0,0]=3 4929 B16R1.27 O=C1COCC(N1)COCCCCCCF 34a_200000101122_100015922095 [0,2,0,0,0,0|2,0,0]=4 4930 B16R1.27 O=C1COCC(N1)COCCCCCCO 34a_200000101122_100000766143 [0,2,0,0,0,0|2,0,0]=4 4931 B16R1.27 O=C1C[C@@H](CCN1)OCCCCCCCO 34a_100015189427_100000760002 [0,2,0,0,0,0|2,0,0]=4 4932 B16R1.52 CCCCCC(=O)COC1CCCC(=O)C1 34a_100012613340_200012276598 [0,2,0,0,0,0|1,0,1]=4 4933 B16R1.52 CCCCCC(C)OCC1CCCC(=O)N1 34a_200000102386_200011218191 [0,2,0,0,0,0|1,0,0]=3 4934 B16R1.52 CCCCCC(C)OCC1CCNC(=O)C1 34a_100009886756_200011218191 [0,2,0,0,0,0|2,0,0]=4 4935 B16R1.52 CCCCCC(C)OCC1COCC(=O)N1 34a_200000101122_200011218191 [0,2,0,0,0,0|2,0,0]=4 4936 B16R1.55 CCCCCCC(C)NC1CCNC(=O)C1 2230a_100016994916_100011215978 [0,2,0,0,0,0|2,0,0]=4 4937 B16R1.55 CCCCCCC(C)NC1CCNC(=O)C1 34a_100016994916_100011215978 [0,2,0,0,0,0|2,0,0]=4 4938 B16R1.55 CCCCCCC(C)OC1C=C(CCC1)C 34a_100011218613_100011215978 [0,2,0,0,0,0|2,0,0]=4 4939 B16R1.55 CCCCCCC(C)OC1CCCC(=O)C1 34a_100012613340_100011215978 [0,2,0,0,0,0|1,0,0]=3 4940 B16R1.55 CCCCCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100011215978 [0,2,0,0,0,0|2,0,0]=4 4941 B16R1.83 CC(=O)CCCCOCC1CCCC(=O)N1 34a_200000102386_100009817362 [0,2,0,0,0,0|1,0,1]=4 4942 B16R1.83 CC(C)CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210682 [0,2,0,0,0,0|2,0,0]=4 4943 B16R1.83 CC(C)CCCCCNC1CCNC(=O)C1 34a_100016994916_100000210682 [0,2,0,0,0,0|2,0,0]=4 4944 B16R1.83 CC(C)CCCCCOC1CCCC(=O)C1 34a_100012613340_100000210682 [0,2,0,0,0,0|1,0,0]=3 4945 B16R1.83 CC(C)CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210682 [0,2,0,0,0,0|2,0,0]=4 4946 B16R1.83 CC(C)CCCCOCC1CCCC(=O)N1 34a_200000102386_100011216152 [0,2,0,0,0,0|1,0,0]=3 4947 B16R1.83 CC(C)CCCCOCC1CCNC(=O)C1 34a_100009886756_100011216152 [0,2,0,0,0,0|2,0,0]=4 4948 B16R1.83 CC(C)CCCCOCC1COCC(=O)N1 34a_200000101122_100011216152 [0,2,0,0,0,0|2,0,0]=4 4949 B16R1.83 CC1=CC(CCC1)OCCCCCC(C)C 34a_100011218613_100000210682 [0,2,0,0,0,0|2,0,0]=4 4950 B16R1.20497 CCCCCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210681 [0,2,0,0,0,0|2,0,0]=4 4951 B16R1.20497 CCCCCCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210614 [0,2,0,0,0,0|2,0,0]=4 4952 B16R1.11227 CC(C)CCC(C)OCC1CCCC(=O)N1 34a_200000102386_100011261404 [0,2,0,0,0,0|2,0,0]=4 4953 B16R1.11256 CC(C)(O)CCCOCC1CCCC(=O)N1 34a_200000102386_100009888830 [0,2,0,0,0,0|2,0,0]=4 4954 B16R1.4526 CCCCC(CC)COC1CCCC(=O)C1 34a_100012613340_100000211942 [0,2,0,0,0,0|2,0,0]=4 4955 B16R1.4526 CCCCC(CC)OCC1CCCC(=O)N1 34a_200000102386_200011216223 [0,2,0,0,0,0|2,0,0]=4 4956 B14R1.40 CCCCCCCCOC1CCCC1 34a_100000210232_100000179811 [0,0,1,1,0,0|1,0,1]=4 4957 B14R1.40 CCCCCCCCOC1CCCC1 34a_100000210269_100000210759 [0,0,1,1,0,0|1,0,1]=4 4958 B14R1.40 CCCCCCCCOC1CCCC1 7a_100000210232_100000179811 [0,0,1,1,0,0|1,0,1]=4 4959 B14R1.40 CCCCCCCCOC1CCCC1 7a_100000210269_100000210759 [0,0,1,1,0,0|1,0,1]=4 4960 B14R1.40 CCCCCCCCOC1CCCO1 34a_100000085407_100000210759 [0,0,1,1,0,0|0,0,2]=4 4961 B14R1.257 CCCC(=O)OCN1CCC1COC 2230a_100015195929_100000034017 [0,0,1,1,0,0|2,0,0]=4 4962 B14R1.257 CCCC(=O)OCN1CCC1COC 269982a_100015195929_100000034017 [0,0,1,1,0,0|2,0,0]=4 4963 B14R1.257 CCCC(=O)OCN1CCC1COC 34a_100015195929_100000034017 [0,0,1,1,0,0|2,0,0]=4 4964 B14R1.263 CCCC(=O)C1CCCCN1CCC 1458a_100000743559_100000210303 [0,0,1,1,0,0|2,0,0]=4 4965 B14R1.263 CCCC(=O)N1CCCCC1CCC 11a_100000701414_100000211992 [0,0,1,1,0,0|1,0,0]=3 4966 B14R1.263 CCCC(=O)N1CCCCC1CCC 1626a_100000701414_100000211992 [0,0,1,1,0,0|1,0,0]=3 4967 B14R1.263 CCCC(=O)N1CCCCC1CCC 240690a_100000701414_100000211992 [0,0,1,1,0,0|1,0,0]=3 4968 B14R1.263 CCCC(=O)N1CCCCC1CCC 527a_100000701414_100000211992 [0,0,1,1,0,0|1,0,0]=3 4969 B14R1.263 CCCC(=O)N1CCCCC1CCO 240690a_100000211664_100000211992 [0,0,1,1,0,0|2,0,0]=4 4970 B14R1.263 CCCC(=O)N1CCCCC1COC 11a_100015184032_100000211992 [0,0,1,1,0,0|2,0,0]=4 4971 B14R1.263 CCCC(=O)N1CCCCC1COC 1626a_100015184032_100000211992 [0,0,1,1,0,0|2,0,0]=4 4972 B14R1.263 CCCC(=O)N1CCCCC1COC 240690a_100015184032_100000211992 [0,0,1,1,0,0|2,0,0]=4 4973 B14R1.263 CCCC(=O)N1CCCCC1COC 527a_100015184032_100000211992 [0,0,1,1,0,0|2,0,0]=4 4974 B14R1.263 CCCC(=O)N1CCOCC1CCC 11a_102495339903_100000211992 [0,0,1,1,0,0|2,0,0]=4 4975 B14R1.263 CCCC(=O)N1CCOCC1CCC 1626a_102495339903_100000211992 [0,0,1,1,0,0|2,0,0]=4 4976 B14R1.263 CCCC(=O)N1CCOCC1CCC 240690a_102495339903_100000211992 [0,0,1,1,0,0|2,0,0]=4 4977 B14R1.263 CCCC(=O)N1CCOCC1CCC 527a_102495339903_100000211992 [0,0,1,1,0,0|2,0,0]=4 4978 B14R1.263 CCCC1CCCCN1C(=O)CCO 240690a_100000701414_100011216618 [0,0,1,1,0,0|2,0,0]=4 4979 B14R1.263 CCCC1CCCCN1C(=O)COC 11a_100000701414_100000210968 [0,0,1,1,0,0|2,0,0]=4 4980 B14R1.263 CCCC1CCCCN1C(=O)COC 1626a_100000701414_100000210968 [0,0,1,1,0,0|2,0,0]=4 4981 B14R1.263 CCCC1CCCCN1C(=O)COC 240690a_100000701414_100000210968 [0,0,1,1,0,0|2,0,0]=4 4982 B14R1.263 CCCC1CCCCN1C(=O)COC 527a_100000701414_100000210968 [0,0,1,1,0,0|2,0,0]=4 4983 B14R1.263 CCCC1CCCCN1C(=O)CSC 11a_100000701414_100000184570 [0,0,1,1,0,0|2,0,0]=4 4984 B14R1.263 CCCC1CCCCN1C(=O)CSC 1626a_100000701414_100000184570 [0,0,1,1,0,0|2,0,0]=4 4985 B14R1.263 CCCC1CCCCN1C(=O)CSC 240690a_100000701414_100000184570 [0,0,1,1,0,0|2,0,0]=4 4986 B14R1.263 CCCC1CCCCN1C(=O)CSC 527a_100000701414_100000184570 [0,0,1,1,0,0|2,0,0]=4 4987 B14R1.263 CCCC1CCCCN1C(=O)NCC 2708a_100015525214_100000701414 [0,0,1,1,0,0|2,0,0]=4 4988 B14R1.263 CCCC1CCCCN1C(=O)NCC 273464a_100015525214_100000701414 [0,0,1,1,0,0|2,0,0]=4 4989 B14R1.598 CCCC(=O)CCC1CCCCN1C 1458a_100000211992_100000211948 [0,0,1,1,0,0|2,0,0]=4 4990 B14R1.598 CCCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210303 [0,0,1,1,0,0|2,0,0]=4 4991 B14R1.598 CCCC(=O)CNC1CCCCC1C 2230a_100000211402_100000747444 [0,0,1,1,0,0|2,0,0]=4 4992 B14R1.598 CCCC(=O)COC1CCCCC1C 1458a_100011223357_100000210303 [0,0,1,1,0,0|2,0,0]=4 4993 B14R1.598 CCCC(=O)COC1CCCCC1C 7a_100000211207_100000747444 [0,0,1,1,0,0|2,0,0]=4 4994 B14R1.598 CCCC(=O)NCC1CCCCC1O 240690a_100011216029_100000211992 [0,0,1,1,0,0|2,0,0]=4 4995 B14R1.598 CCCC(=O)NCC1CCCCC1O 527a_100011216029_100000211992 [0,0,1,1,0,0|2,0,0]=4 4996 B14R1.598 CCCC(=O)NCC1CCCCN1C 240690a_100011228421_100000211992 [0,0,1,1,0,0|2,0,0]=4 4997 B14R1.598 CCCC(=O)NCC1CCCCN1C 527a_100011228421_100000211992 [0,0,1,1,0,0|2,0,0]=4 4998 B14R1.598 CCCC(=O)OCN1CCCCC1C 2230a_100000211376_100000034017 [0,0,1,1,0,0|1,0,0]=3 4999 B14R1.598 CCCC(=O)OCN1CCCCC1C 269982a_100000211376_100000034017 [0,0,1,1,0,0|1,0,0]=3 5000 B14R1.598 CCCC(=O)OCN1CCCCC1C 34a_100000211376_100000034017 [0,0,1,1,0,0|1,0,0]=3 5001 B14R1.598 CCCC(=O)OCN1CCOC[C@@H]1C 2230a_100009815349_100000034017 [0,0,1,1,0,0|2,0,0]=4 5002 B14R1.598 CCCC(=O)OCN1CCOC[C@@H]1C 269982a_100009815349_100000034017 [0,0,1,1,0,0|2,0,0]=4 5003 B14R1.598 CCCC(=O)OCN1CCOC[C@@H]1C 34a_100009815349_100000034017 [0,0,1,1,0,0|2,0,0]=4 5004 B14R1.609 CCCC(=O)CNCCC1CCCC1 2230a_100000739158_100000747444 [0,0,1,1,0,0|2,0,0]=4 5005 B14R1.609 CCCC(=O)COCCC1CCCC1 7a_100000749090_100000747444 [0,0,1,1,0,0|2,0,0]=4 5006 B14R1.609 CCCC(=O)CSCCC1CCCC1 62a_100000747444_100000760354 [0,0,1,1,0,0|2,0,0]=4 5007 B14R1.609 CCCC(=O)CSCCC1CCCC1 62a_100000760354_100000747444 [0,0,1,1,0,0|2,0,0]=4 5008 B14R1.609 CCCC(=O)NCCCC1CCCC1 11a_100000736752_100000211992 [0,0,1,1,0,0|1,0,0]=3 5009 B14R1.609 CCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000211992 [0,0,1,1,0,0|1,0,0]=3 5010 B14R1.609 CCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000211992 [0,0,1,1,0,0|1,0,0]=3 5011 B14R1.609 CCCC(=O)NCCCC1CCCC1 527a_100000736752_100000211992 [0,0,1,1,0,0|1,0,0]=3 5012 B14R1.609 CCCC(=O)NCCCN1CCCC1 240690a_100000204695_100000211992 [0,0,1,1,0,0|2,0,0]=4 5013 B14R1.609 CCCC(=O)NCCOC1CCCC1 11a_100000741755_100000211992 [0,0,1,1,0,0|2,0,0]=4 5014 B14R1.609 CCCC(=O)NCCOC1CCCC1 1626a_100000741755_100000211992 [0,0,1,1,0,0|2,0,0]=4 5015 B14R1.609 CCCC(=O)NCCOC1CCCC1 240690a_100000741755_100000211992 [0,0,1,1,0,0|2,0,0]=4 5016 B14R1.609 CCCC(=O)NCCOC1CCCC1 527a_100000741755_100000211992 [0,0,1,1,0,0|2,0,0]=4 5017 B14R1.609 CCCC(=O)OCNCC1CCCC1 2230a_100000737975_100000034017 [0,0,1,1,0,0|1,0,0]=3 5018 B14R1.609 CCCC(=O)OCNCC1CCCC1 34a_100000737975_100000034017 [0,0,1,1,0,0|1,0,0]=3 5019 B14R1.609 CCCC(=O)OCNCC1CCOC1 2230a_100000737293_100000034017 [0,0,1,1,0,0|2,0,0]=4 5020 B14R1.609 CCCC(=O)OCNCC1CCOC1 34a_100000737293_100000034017 [0,0,1,1,0,0|2,0,0]=4 5021 B14R1.609 CCCC(=O)OCNC[C@@H]1CCCO1 2230a_100020590478_100000034017 [0,0,1,1,0,0|2,0,0]=4 5022 B14R1.609 CCCC(=O)OCNC[C@@H]1CCCO1 34a_100020590478_100000034017 [0,0,1,1,0,0|2,0,0]=4 5023 B14R1.609 CCCC(=O)OCOCC1CCCC1 34a_100000742336_100000034017 [0,0,1,1,0,0|1,0,0]=3 5024 B14R1.609 CCCC(=O)OCOCC1CCCO1 34a_100000210270_100000034017 [0,0,1,1,0,0|2,0,0]=4 5025 B14R1.609 CCCC(=O)OCOCC1CCNC1 34a_100000748654_100000034017 [0,0,1,1,0,0|2,0,0]=4 5026 B14R1.609 CCCC(=O)OCOCC1CCOC1 34a_100000740260_100000034017 [0,0,1,1,0,0|2,0,0]=4 5027 B14R1.609 CCCC(=O)OCOC[C@H]1CCCN1 34a_100000745186_100000034017 [0,0,1,1,0,0|2,0,0]=4 5028 B14R1.609 CCCC(=O)OCSCC1CCCC1 62a_100000740388_100000034017 [0,0,1,1,0,0|1,0,0]=3 5029 B14R1.609 CCCC(=O)OCSCC1CCCO1 62a_100000203698_100000034017 [0,0,1,1,0,0|2,0,0]=4 5030 B14R1.609 CCCC(=O)OCSCC1CCOC1 62a_100000702531_100000034017 [0,0,1,1,0,0|2,0,0]=4 5031 B14R1.609 CCCC(C)OCCCC1CCCC1 34a_100000764384_100011713738 [0,0,1,1,0,0|1,0,1]=4 5032 B14R1.609 CCCC(C)OCCCC1CCCC1 34a_100011215328_100000766640 [0,0,1,1,0,0|1,0,1]=4 5033 B14R1.609 CCCC(C)OCCCC1CCCC1 7a_100000764384_100011713738 [0,0,1,1,0,0|1,0,1]=4 5034 B14R1.609 CCCC(C)OCCCC1CCCC1 7a_100011215328_100000766640 [0,0,1,1,0,0|1,0,1]=4 5035 B14R1.609 CCNC(=O)NCCCC1CCCC1 2708a_100000736752_100015525214 [0,0,1,1,0,0|2,0,0]=4 5036 B14R1.609 CCNC(=O)NCCCC1CCCC1 2708a_100015525214_100000736752 [0,0,1,1,0,0|2,0,0]=4 5037 B14R1.609 CCNC(=O)NCCCC1CCCC1 273464a_100000736752_100015525214 [0,0,1,1,0,0|2,0,0]=4 5038 B14R1.609 CCNC(=O)NCCCC1CCCC1 273464a_100015525214_100000736752 [0,0,1,1,0,0|2,0,0]=4 5039 B14R1.609 CCNC(=O)NCCCC1CCCC1 512a_100000736752_100015525214 [0,0,1,1,0,0|2,0,0]=4 5040 B14R1.609 CCNC(=O)NCCCC1CCCC1 512a_100015525214_100000736752 [0,0,1,1,0,0|2,0,0]=4 5041 B14R1.609 CCOC(=O)OCSCC1CCCC1 62a_100000740388_100000075025 [0,0,1,1,0,0|2,0,0]=4 5042 B14R1.609 COCC(=O)NCCCC1CCCC1 11a_100000736752_100000210968 [0,0,1,1,0,0|2,0,0]=4 5043 B14R1.609 COCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210968 [0,0,1,1,0,0|2,0,0]=4 5044 B14R1.609 COCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210968 [0,0,1,1,0,0|2,0,0]=4 5045 B14R1.609 COCC(=O)NCCCC1CCCC1 527a_100000736752_100000210968 [0,0,1,1,0,0|2,0,0]=4 5046 B14R1.609 CSCC(=O)NCCCC1CCCC1 11a_100000736752_100000184570 [0,0,1,1,0,0|2,0,0]=4 5047 B14R1.609 CSCC(=O)NCCCC1CCCC1 1626a_100000736752_100000184570 [0,0,1,1,0,0|2,0,0]=4 5048 B14R1.609 CSCC(=O)NCCCC1CCCC1 240690a_100000736752_100000184570 [0,0,1,1,0,0|2,0,0]=4 5049 B14R1.609 CSCC(=O)NCCCC1CCCC1 527a_100000736752_100000184570 [0,0,1,1,0,0|2,0,0]=4 5050 B14R1.609 O=C(CCO)NCCCC1CCCC1 240690a_100000736752_100011216618 [0,0,1,1,0,0|2,0,0]=4 5051 B14R1.612 CCCC(=O)OCOCCC1COC1 34a_100009855314_100000034017 [0,0,1,1,0,0|2,0,0]=4 5052 B14R1.947 CCCC(=O)NCC1CCCN1CC 11a_100000211693_100000211992 [0,0,1,1,0,0|2,0,0]=4 5053 B14R1.947 CCCC(=O)NCC1CCCN1CC 1626a_100000211693_100000211992 [0,0,1,1,0,0|2,0,0]=4 5054 B14R1.947 CCCC(=O)NCC1CCCN1CC 240690a_100000211693_100000211992 [0,0,1,1,0,0|2,0,0]=4 5055 B14R1.947 CCCC(=O)NCC1CCCN1CC 527a_100000211693_100000211992 [0,0,1,1,0,0|2,0,0]=4 5056 B14R1.947 CCCC(=O)OCN1CCCC1CC 2230a_100000754278_100000034017 [0,0,1,1,0,0|1,0,0]=3 5057 B14R1.947 CCCC(=O)OCN1CCCC1CC 269982a_100000754278_100000034017 [0,0,1,1,0,0|1,0,0]=3 5058 B14R1.947 CCCC(=O)OCN1CCCC1CC 34a_100000754278_100000034017 [0,0,1,1,0,0|1,0,0]=3 5059 B14R1.947 CCCC(=O)OCN1CCC[C@@H]1CO 2230a_100000745186_100000034017 [0,0,1,1,0,0|2,0,0]=4 5060 B14R1.947 CCCC(=O)OCN1CCC[C@@H]1CO 269982a_100000745186_100000034017 [0,0,1,1,0,0|2,0,0]=4 5061 B14R1.947 CCCC(=O)OCN1CCC[C@@H]1CO 34a_100000745186_100000034017 [0,0,1,1,0,0|2,0,0]=4 5062 B14R1.955 CCCC(=O)OCOCCNC1CC1 34a_100000738766_100000034017 [0,0,1,1,0,0|2,0,0]=4 5063 B14R1.955 CCCC(=O)OCSCCCC1CO1 62a_100000733510_100000034017 [0,0,1,1,0,0|2,0,0]=4 5064 B14R1.965 CCCC(=O)CN1CCCCC1CC 2230a_100000210034_100000747444 [0,0,1,1,0,0|2,0,0]=4 5065 B14R1.965 CCCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747444 [0,0,1,1,0,0|2,0,0]=4 5066 B14R1.965 CCCC(=O)NC1CCCCC1OC 11a_100011208099_100000211992 [0,0,1,1,0,0|2,0,0]=4 5067 B14R1.965 CCCC(=O)NC1CCCCC1OC 1626a_100011208099_100000211992 [0,0,1,1,0,0|2,0,0]=4 5068 B14R1.965 CCCC(=O)NC1CCCCC1OC 240690a_100011208099_100000211992 [0,0,1,1,0,0|2,0,0]=4 5069 B14R1.965 CCCC(=O)NC1CCCCC1OC 527a_100011208099_100000211992 [0,0,1,1,0,0|2,0,0]=4 5070 B14R1.965 CCCC(C)OC1CCCCC1CC 34a_100000210738_100000766640 [0,0,1,1,0,0|1,0,1]=4 5071 B14R1.965 CCCC(C)OC1CCCCC1CC 7a_100000210738_100000766640 [0,0,1,1,0,0|1,0,1]=4 5072 B14R1.3619 CCCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210326 [0,0,1,1,0,0|2,0,0]=4 5073 B14R1.3619 CCCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210215 [0,0,1,1,0,0|2,0,0]=4 5074 B14R1.3619 CCCCCN1CCNC(=O)C1CC 34a_100000187962_100000718602 [0,0,1,1,0,0|2,0,0]=4 5075 B14R1.6816 CCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210670 [0,0,1,1,0,0|1,0,0]=3 5076 B14R1.6816 CCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210670 [0,0,1,1,0,0|2,0,0]=4 5077 B14R1.6816 CCCCCCCCNC(=O)C1CC1 11a_100000229939_100000210395 [0,0,1,1,0,0|1,0,0]=3 5078 B14R1.6816 CCCCCCCCNC(=O)C1CC1 1626a_100000229939_100000210395 [0,0,1,1,0,0|1,0,0]=3 5079 B14R1.6816 CCCCCCCCNC(=O)C1CC1 240690a_100000229939_100000210395 [0,0,1,1,0,0|1,0,0]=3 5080 B14R1.6816 CCCCCCCCNC(=O)C1CC1 527a_100000229939_100000210395 [0,0,1,1,0,0|1,0,0]=3 5081 B14R1.6816 CCCCCCCCNC(=O)C1CO1 11a_100000229939_100000701028 [0,0,1,1,0,0|2,0,0]=4 5082 B14R1.6816 CCCCCCCCNC(=O)C1CO1 1626a_100000229939_100000701028 [0,0,1,1,0,0|2,0,0]=4 5083 B14R1.6816 CCCCCCCCNC(=O)C1CO1 240690a_100000229939_100000701028 [0,0,1,1,0,0|2,0,0]=4 5084 B14R1.6816 CCCCCCCCNC(=O)C1CO1 527a_100000229939_100000701028 [0,0,1,1,0,0|2,0,0]=4 5085 B14R1.6816 CCCCCCCCOC(C)C1CC1 34a_100000744524_100000210759 [0,0,1,1,0,0|1,0,1]=4 5086 B14R1.6816 CCCCCCCCOC(C)C1CC1 7a_100000744524_100000210759 [0,0,1,1,0,0|1,0,1]=4 5087 B14R1.6816 CCCCCCCNCC(=O)C1CC1 2230a_100000229938_100000746382 [0,0,1,1,0,0|2,0,0]=4 5088 B14R1.6816 CCCCCCCOCC(=O)C1CC1 34a_100000210272_100000746382 [0,0,1,1,0,0|2,0,0]=4 5089 B14R1.6816 CCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210614 [0,0,1,1,0,0|2,0,0]=4 5090 B14R1.6816 CCCCCCCOCC(=O)C1CC1 7a_100000210272_100000746382 [0,0,1,1,0,0|2,0,0]=4 5091 B14R1.6816 CCCCCCCSCC(=O)C1CC1 62a_100000210614_100000746382 [0,0,1,1,0,0|2,0,0]=4 5092 B14R1.6816 CCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210316 [0,0,1,1,0,0|2,0,0]=4 5093 B14R1.6816 CCCCCCNCOC(=O)C1CC1 2230a_100000210581_100000140896 [0,0,1,1,0,0|1,0,0]=3 5094 B14R1.6816 CCCCCCOCOC(=O)C1CC1 34a_100000210259_100000140896 [0,0,1,1,0,0|1,0,0]=3 5095 B14R1.6816 CCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210757 [0,0,1,1,0,0|1,0,0]=3 5096 B14R1.6816 CCCCCCSCOC(=O)C1CC1 62a_100000210314_100000140896 [0,0,1,1,0,0|1,0,0]=3 5097 B14R1.6816 CCCCOCCCNC(=O)C1CC1 1626a_200000211371_100000210395 [0,0,1,1,0,0|2,0,0]=4 5098 B14R1.6816 CCCCOCCCNC(=O)C1CC1 240690a_200000211371_100000210395 [0,0,1,1,0,0|2,0,0]=4 5099 B14R1.6816 CCCCOCCCNC(=O)C1CC1 527a_200000211371_100000210395 [0,0,1,1,0,0|2,0,0]=4 5100 B14R1.6816 CCCCOCSCOC(=O)C1CC1 62a_100000140896_100011995733 [0,0,1,1,0,0|2,0,0]=4 5101 B14R1.6816 CCCCOCSCOC(=O)C1CC1 62a_100011995733_100000140896 [0,0,1,1,0,0|2,0,0]=4 5102 B14R1.6816 CCCOCCNCOC(=O)C1CC1 2230a_100161115042_100000140896 [0,0,1,1,0,0|2,0,0]=4 5103 B14R1.6816 CCCOCCNCOC(=O)C1CC1 34a_100161115042_100000140896 [0,0,1,1,0,0|2,0,0]=4 5104 B14R1.6816 CCCOCCOCOC(=O)C1CC1 34a_100000752267_100000140896 [0,0,1,1,0,0|2,0,0]=4 5105 B14R1.6816 CCCOCCSCOC(=O)C1CC1 62a_100000140896_100011215938 [0,0,1,1,0,0|2,0,0]=4 5106 B14R1.6816 CCCOCCSCOC(=O)C1CC1 62a_100011215938_100000140896 [0,0,1,1,0,0|2,0,0]=4 5107 B14R1.6816 CCCSCCNCOC(=O)C1CC1 2230a_100020603323_100000140896 [0,0,1,1,0,0|2,0,0]=4 5108 B14R1.6816 CCCSCCOCOC(=O)C1CC1 34a_200000230433_100000140896 [0,0,1,1,0,0|2,0,0]=4 5109 B14R1.6816 CCOCCCNCOC(=O)C1CC1 2230a_100000210961_100000140896 [0,0,1,1,0,0|2,0,0]=4 5110 B14R1.6816 CCOCCCNCOC(=O)C1CC1 34a_100000210961_100000140896 [0,0,1,1,0,0|2,0,0]=4 5111 B14R1.6816 CCOCCCOCOC(=O)C1CC1 34a_100000757476_100000140896 [0,0,1,1,0,0|2,0,0]=4 5112 B14R1.6816 CCOCCCSCOC(=O)C1CC1 62a_100000140896_100012232248 [0,0,1,1,0,0|2,0,0]=4 5113 B14R1.6816 CCOCCCSCOC(=O)C1CC1 62a_100012232248_100000140896 [0,0,1,1,0,0|2,0,0]=4 5114 B14R1.6816 CCSCCCOCOC(=O)C1CC1 34a_100011216438_100000140896 [0,0,1,1,0,0|2,0,0]=4 5115 B14R1.6816 COCCCCOCOC(=O)C1CC1 34a_100000740925_100000140896 [0,0,1,1,0,0|2,0,0]=4 5116 B14R1.6816 COCCCCSCOC(=O)C1CC1 62a_100000140896_100000730899 [0,0,1,1,0,0|2,0,0]=4 5117 B14R1.6816 COCCCCSCOC(=O)C1CC1 62a_100000730899_100000140896 [0,0,1,1,0,0|2,0,0]=4 5118 B14R1.6816 CSCCCCOCOC(=O)C1CC1 34a_100011217163_100000140896 [0,0,1,1,0,0|2,0,0]=4 5119 B14R1.6816 NCCCCCOCOC(=O)C1CC1 34a_100000762737_100000140896 [0,0,1,1,0,0|2,0,0]=4 5120 B14R1.6816 O=C(CCCCCCCCO)C1CC1 1458a_100000210395_100000033203 [0,0,1,1,0,0|2,0,0]=4 5121 B14R1.6816 O=C(NCCCCCCCO)C1CC1 240690a_100011996573_100000210395 [0,0,1,1,0,0|2,0,0]=4 5122 B14R1.6816 O=C(OCNCCCCCO)C1CC1 2230a_100000762737_100000140896 [0,0,1,1,0,0|2,0,0]=4 5123 B14R1.6816 O=C(OCNCCCCCO)C1CC1 34a_100000762737_100000140896 [0,0,1,1,0,0|2,0,0]=4 5124 B14R1.6816 O=C(OCOCCCCCBr)C1CC1 34a_100000746331_100000140896 [0,0,1,1,0,0|2,0,0]=4 5125 B14R1.6816 O=C(OCOCCCCCCl)C1CC1 34a_100000746330_100000140896 [0,0,1,1,0,0|2,0,0]=4 5126 B14R1.6816 O=C(OCOCCCCCI)C1CC1 34a_200012148887_100000140896 [0,0,1,1,0,0|2,0,0]=4 5127 B14R1.6816 O=C(OCSCCCCCF)C1CC1 62a_100000140896_100000729378 [0,0,1,1,0,0|2,0,0]=4 5128 B14R1.6816 O=C(OCSCCCCCF)C1CC1 62a_100000729378_100000140896 [0,0,1,1,0,0|2,0,0]=4 5129 B14R1.6816 O=C(OCSCCCCCO)C1CC1 62a_100000140896_100000746330 [0,0,1,1,0,0|2,0,0]=4 5130 B14R1.6816 O=C(OCSCCCCCO)C1CC1 62a_100000746330_100000140896 [0,0,1,1,0,0|2,0,0]=4 5131 B14R1.7119 CCCC(=O)N1CCCCCCCC1 11a_100000039187_100000211992 [0,0,1,1,0,0|1,0,0]=3 5132 B14R1.7119 CCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000211992 [0,0,1,1,0,0|1,0,0]=3 5133 B14R1.7119 CCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000211992 [0,0,1,1,0,0|1,0,0]=3 5134 B14R1.7119 CCCC(=O)N1CCCCCCCC1 527a_100000039187_100000211992 [0,0,1,1,0,0|1,0,0]=3 5135 B14R1.7119 CCNC(=O)N1CCCCCCCC1 2708a_100015525214_100000039187 [0,0,1,1,0,0|2,0,0]=4 5136 B14R1.7119 CCNC(=O)N1CCCCCCCC1 273464a_100015525214_100000039187 [0,0,1,1,0,0|2,0,0]=4 5137 B14R1.7119 COCC(=O)N1CCCCCCCC1 11a_100000039187_100000210968 [0,0,1,1,0,0|2,0,0]=4 5138 B14R1.7119 COCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210968 [0,0,1,1,0,0|2,0,0]=4 5139 B14R1.7119 COCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210968 [0,0,1,1,0,0|2,0,0]=4 5140 B14R1.7119 COCC(=O)N1CCCCCCCC1 527a_100000039187_100000210968 [0,0,1,1,0,0|2,0,0]=4 5141 B14R1.7119 CSCC(=O)N1CCCCCCCC1 11a_100000039187_100000184570 [0,0,1,1,0,0|2,0,0]=4 5142 B14R1.7119 CSCC(=O)N1CCCCCCCC1 1626a_100000039187_100000184570 [0,0,1,1,0,0|2,0,0]=4 5143 B14R1.7119 CSCC(=O)N1CCCCCCCC1 240690a_100000039187_100000184570 [0,0,1,1,0,0|2,0,0]=4 5144 B14R1.7119 CSCC(=O)N1CCCCCCCC1 527a_100000039187_100000184570 [0,0,1,1,0,0|2,0,0]=4 5145 B14R1.7119 O=C(CCO)N1CCCCCCCC1 240690a_100000039187_100011216618 [0,0,1,1,0,0|2,0,0]=4 5146 B14R1.7146 CCCC(=O)CCN1CCCCCC1 1458a_100000211992_100000722644 [0,0,1,1,0,0|2,0,0]=4 5147 B14R1.7146 CCCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210303 [0,0,1,1,0,0|2,0,0]=4 5148 B14R1.7146 CCCC(=O)CNC1CCCCCC1 2230a_100000210984_100000747444 [0,0,1,1,0,0|2,0,0]=4 5149 B14R1.7146 CCCC(=O)COC1CCCCCC1 7a_100000210887_100000747444 [0,0,1,1,0,0|2,0,0]=4 5150 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100000747444_100011217769 [0,0,1,1,0,0|2,0,0]=4 5151 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100011217769_100000747444 [0,0,1,1,0,0|2,0,0]=4 5152 B14R1.7146 CCCC(=O)NCC1CCCCCC1 11a_100015204231_100000211992 [0,0,1,1,0,0|1,0,0]=3 5153 B14R1.7146 CCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000211992 [0,0,1,1,0,0|1,0,0]=3 5154 B14R1.7146 CCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000211992 [0,0,1,1,0,0|1,0,0]=3 5155 B14R1.7146 CCCC(=O)NCC1CCCCCC1 527a_100015204231_100000211992 [0,0,1,1,0,0|1,0,0]=3 5156 B14R1.7146 CCCC(=O)OCN1CCCCCC1 2230a_100000185865_100000034017 [0,0,1,1,0,0|1,0,0]=3 5157 B14R1.7146 CCCC(=O)OCN1CCCCCC1 269982a_100000185865_100000034017 [0,0,1,1,0,0|1,0,0]=3 5158 B14R1.7146 CCCC(=O)OCN1CCCCCC1 34a_100000185865_100000034017 [0,0,1,1,0,0|1,0,0]=3 5159 B14R1.7146 CCCC(=O)OCN1CCCOCC1 2230a_100000685342_100000034017 [0,0,1,1,0,0|2,0,0]=4 5160 B14R1.7146 CCCC(=O)OCN1CCCOCC1 269982a_100000685342_100000034017 [0,0,1,1,0,0|2,0,0]=4 5161 B14R1.7146 CCCC(=O)OCN1CCCOCC1 34a_100000685342_100000034017 [0,0,1,1,0,0|2,0,0]=4 5162 B14R1.7146 CCCC(C)OCC1CCCCCC1 34a_100000699130_100000766640 [0,0,1,1,0,0|1,0,1]=4 5163 B14R1.7146 CCCC(C)OCC1CCCCCC1 34a_100000764384_200000696569 [0,0,1,1,0,0|1,0,1]=4 5164 B14R1.7146 CCCC(C)OCC1CCCCCC1 7a_100000699130_100000766640 [0,0,1,1,0,0|1,0,1]=4 5165 B14R1.7146 CCCC(C)OCC1CCCCCC1 7a_100000764384_200000696569 [0,0,1,1,0,0|1,0,1]=4 5166 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015204231_100015525214 [0,0,1,1,0,0|2,0,0]=4 5167 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015525214_100015204231 [0,0,1,1,0,0|2,0,0]=4 5168 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015204231_100015525214 [0,0,1,1,0,0|2,0,0]=4 5169 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015525214_100015204231 [0,0,1,1,0,0|2,0,0]=4 5170 B14R1.7146 CCNC(=O)NCC1CCCCCC1 512a_100015525214_100015204231 [0,0,1,1,0,0|2,0,0]=4 5171 B14R1.7146 COCC(=O)NCC1CCCCCC1 11a_100015204231_100000210968 [0,0,1,1,0,0|2,0,0]=4 5172 B14R1.7146 COCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210968 [0,0,1,1,0,0|2,0,0]=4 5173 B14R1.7146 COCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210968 [0,0,1,1,0,0|2,0,0]=4 5174 B14R1.7146 COCC(=O)NCC1CCCCCC1 527a_100015204231_100000210968 [0,0,1,1,0,0|2,0,0]=4 5175 B14R1.7146 CSCC(=O)NCC1CCCCCC1 11a_100015204231_100000184570 [0,0,1,1,0,0|2,0,0]=4 5176 B14R1.7146 CSCC(=O)NCC1CCCCCC1 1626a_100015204231_100000184570 [0,0,1,1,0,0|2,0,0]=4 5177 B14R1.7146 CSCC(=O)NCC1CCCCCC1 240690a_100015204231_100000184570 [0,0,1,1,0,0|2,0,0]=4 5178 B14R1.7146 CSCC(=O)NCC1CCCCCC1 527a_100015204231_100000184570 [0,0,1,1,0,0|2,0,0]=4 5179 B14R1.7146 O=C(CCO)NCC1CCCCCC1 240690a_100015204231_100011216618 [0,0,1,1,0,0|2,0,0]=4 5180 B14R1.7343 CCCC(=O)CN1CCCCCCC1 2230a_100000211400_100000747444 [0,0,1,1,0,0|2,0,0]=4 5181 B14R1.7343 CCCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747444 [0,0,1,1,0,0|2,0,0]=4 5182 B14R1.7343 CCCC(=O)NC1CCCCCCC1 11a_100000211152_100000211992 [0,0,1,1,0,0|1,0,0]=3 5183 B14R1.7343 CCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000211992 [0,0,1,1,0,0|1,0,0]=3 5184 B14R1.7343 CCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000211992 [0,0,1,1,0,0|1,0,0]=3 5185 B14R1.7343 CCCC(=O)NC1CCCCCCC1 527a_100000211152_100000211992 [0,0,1,1,0,0|1,0,0]=3 5186 B14R1.7343 CCCC(C)OC1CCCCCCC1 34a_100000210054_100000766640 [0,0,1,1,0,0|1,0,1]=4 5187 B14R1.7343 CCCC(C)OC1CCCCCCC1 7a_100000210054_100000766640 [0,0,1,1,0,0|1,0,1]=4 5188 B14R1.7343 CCNC(=O)NC1CCCCCCC1 2708a_100000211152_100015525214 [0,0,1,1,0,0|2,0,0]=4 5189 B14R1.7343 CCNC(=O)NC1CCCCCCC1 2708a_100015525214_100000211152 [0,0,1,1,0,0|2,0,0]=4 5190 B14R1.7343 CCNC(=O)NC1CCCCCCC1 273464a_100000211152_100015525214 [0,0,1,1,0,0|2,0,0]=4 5191 B14R1.7343 CCNC(=O)NC1CCCCCCC1 273464a_100015525214_100000211152 [0,0,1,1,0,0|2,0,0]=4 5192 B14R1.7343 CCNC(=O)NC1CCCCCCC1 512a_100000211152_100015525214 [0,0,1,1,0,0|2,0,0]=4 5193 B14R1.7343 CCNC(=O)NC1CCCCCCC1 512a_100015525214_100000211152 [0,0,1,1,0,0|2,0,0]=4 5194 B14R1.7343 CNCC(=O)NC1CCCCCCC1 2230a_106832991635_100000183010 [0,0,1,1,0,0|2,0,0]=4 5195 B14R1.7343 CNCC(=O)NC1CCCCCCC1 34a_100102657272_100000183010 [0,0,1,1,0,0|2,0,0]=4 5196 B14R1.7343 CNCC(=O)NC1CCCCCCC1 7a_106832991635_100000183010 [0,0,1,1,0,0|2,0,0]=4 5197 B14R1.7343 COCC(=O)NC1CCCCCCC1 11a_100000211152_100000210968 [0,0,1,1,0,0|2,0,0]=4 5198 B14R1.7343 COCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210968 [0,0,1,1,0,0|2,0,0]=4 5199 B14R1.7343 COCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210968 [0,0,1,1,0,0|2,0,0]=4 5200 B14R1.7343 COCC(=O)NC1CCCCCCC1 34a_100138415774_100000183010 [0,0,1,1,0,0|2,0,0]=4 5201 B14R1.7343 COCC(=O)NC1CCCCCCC1 527a_100000211152_100000210968 [0,0,1,1,0,0|2,0,0]=4 5202 B14R1.7343 CSCC(=O)NC1CCCCCCC1 11a_100000211152_100000184570 [0,0,1,1,0,0|2,0,0]=4 5203 B14R1.7343 CSCC(=O)NC1CCCCCCC1 1626a_100000211152_100000184570 [0,0,1,1,0,0|2,0,0]=4 5204 B14R1.7343 CSCC(=O)NC1CCCCCCC1 240690a_100000211152_100000184570 [0,0,1,1,0,0|2,0,0]=4 5205 B14R1.7343 CSCC(=O)NC1CCCCCCC1 527a_100000211152_100000184570 [0,0,1,1,0,0|2,0,0]=4 5206 B14R1.7343 CSCC(=O)NC1CCCCCCC1 62a_100000183010_200000210301 [0,0,1,1,0,0|2,0,0]=4 5207 B14R1.7343 CSCC(=O)NC1CCCCCCC1 62a_200000210301_100000183010 [0,0,1,1,0,0|2,0,0]=4 5208 B14R1.7343 O=C(CCO)NC1CCCCCCC1 240690a_100000211152_100011216618 [0,0,1,1,0,0|2,0,0]=4 5209 B14R1.7343 [13CH3]SCC(=O)NC1CCCCCCC1 62a_100000183010_200025704644 [0,0,1,1,0,0|2,0,0]=4 5210 B14R1.7343 [13CH3]SCC(=O)NC1CCCCCCC1 62a_200025704644_100000183010 [0,0,1,1,0,0|2,0,0]=4 5211 B14R1.9622 CCCCCCCCOC1(CCC1)C 34a_100000759064_100000210759 [0,0,1,1,0,0|1,0,1]=4 5212 B14R1.9622 CCCCCCCCOC1(CCC1)C 7a_100000759064_100000210759 [0,0,1,1,0,0|1,0,1]=4 5213 B14R1.96 CCC1CCCCC1NCCC(=O)N 269862a_100000740010_100000757040 [0,0,1,1,0,0|2,0,0]=4 5214 B14R1.96 CCC1CCCCC1OCCC(=O)C 7a_100000210738_100000053229 [0,0,1,1,0,0|2,0,0]=4 5215 B14R1.96 CCC1CCCCC1OCCC(=O)N 34a_100000210738_100000731001 [0,0,1,1,0,0|2,0,0]=4 5216 B14R1.96 CCC1CCCCC1OCCC(=O)N 7a_100000210738_100000744528 [0,0,1,1,0,0|2,0,0]=4 5217 B14R1.96 CCC1CCCCN1CCCC(=O)C 269982a_100000210034_100011215641 [0,0,1,1,0,0|2,0,0]=4 5218 B14R1.96 CCC1CCCCN1CCCC(=O)C 34a_100000210034_100000685027 [0,0,1,1,0,0|2,0,0]=4 5219 B14R1.96 CCC1CCCCN1CCCC(=O)N 269982a_100000210034_100102525003 [0,0,1,1,0,0|2,0,0]=4 5220 B14R1.96 CCC1CCCCN1CCCC(=O)N 34a_100000210034_100102525003 [0,0,1,1,0,0|2,0,0]=4 5221 B14R1.108 CCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000749056 [0,0,1,1,0,0|2,0,0]=4 5222 B14R1.108 CCC1CCCN1CCCCC(=O)C 269982a_100000754278_100000735457 [0,0,1,1,0,0|2,0,0]=4 5223 B14R1.108 CCC1CCCN1CCCCC(=O)C 34a_100000754278_100009817362 [0,0,1,1,0,0|2,0,0]=4 5224 B14R1.159 CC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000735457 [0,0,1,1,0,0|2,0,0]=4 5225 B14R1.159 CC(=O)CCCCN1CCCCC1C 34a_100000211376_100009817362 [0,0,1,1,0,0|2,0,0]=4 5226 B14R1.159 CC(=O)CCCNC1CCCCC1C 34a_100000211402_100000685027 [0,0,1,1,0,0|2,0,0]=4 5227 B14R1.159 CC(=O)CCCOC1CCCCC1C 34a_100000211207_100000685027 [0,0,1,1,0,0|2,0,0]=4 5228 B14R1.159 CC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215641 [0,0,1,1,0,0|2,0,0]=4 5229 B14R1.159 CC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000210921 [0,0,1,1,0,0|2,0,0]=4 5230 B14R1.159 CC1CCCCC1NCCCC(=O)N 34a_100000211402_100102525003 [0,0,1,1,0,0|2,0,0]=4 5231 B14R1.159 CC1CCCCC1OCCCC(=O)N 34a_100000211207_100102525003 [0,0,1,1,0,0|2,0,0]=4 5232 B14R1.159 CC1CCCCC1OCCCC(=O)N 7a_100000211207_100102525003 [0,0,1,1,0,0|2,0,0]=4 5233 B14R1.159 CN1CCCCC1CCNCC(=O)O 269956a_100016091260_100000211948 [0,0,1,1,0,0|2,0,0]=4 5234 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210314 [0,0,1,1,0,0|2,0,0]=4 5235 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [0,0,1,1,0,0|1,0,0]=3 5236 B14R1.233 CCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210757 [0,0,1,1,0,0|2,0,0]=4 5237 B14R1.233 CCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210757 [0,0,1,1,0,0|2,0,0]=4 5238 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011995733 [0,0,1,1,0,0|2,0,0]=4 5239 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215938 [0,0,1,1,0,0|2,0,0]=4 5240 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012232248 [0,0,1,1,0,0|2,0,0]=4 5241 B14R1.233 COCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730899 [0,0,1,1,0,0|2,0,0]=4 5242 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCF 269956a_100000743916_100000729378 [0,0,1,1,0,0|2,0,0]=4 5243 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCO 269956a_100000743916_100000746330 [0,0,1,1,0,0|2,0,0]=4 5244 B14R1.241 CC1CC1COCCCCCC(=O)N 34a_100000744939_100009817443 [0,0,1,1,0,0|2,0,0]=4 5245 B14R1.241 CC1CC1COCCCCCC(=O)N 7a_100000744939_100009817443 [0,0,1,1,0,0|2,0,0]=4 5246 B14R1.427 CC(=O)CCCCNCC1CCCC1 34a_100000737975_100009817362 [0,0,1,1,0,0|2,0,0]=4 5247 B14R1.427 CC(=O)CCCCOCC1CCCC1 34a_100000742336_100009817362 [0,0,1,1,0,0|2,0,0]=4 5248 B14R1.427 CC(=O)CCCCOCC1CCCC1 7a_100000742336_100000735457 [0,0,1,1,0,0|2,0,0]=4 5249 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000735457_100000740388 [0,0,1,1,0,0|2,0,0]=4 5250 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000740388_100000735457 [0,0,1,1,0,0|2,0,0]=4 5251 B14R1.427 CC(=O)CCCNCCC1CCCC1 34a_100000739158_100000685027 [0,0,1,1,0,0|2,0,0]=4 5252 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000749090_100000685027 [0,0,1,1,0,0|2,0,0]=4 5253 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000759063_100000760354 [0,0,1,1,0,0|2,0,0]=4 5254 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215641 [0,0,1,1,0,0|2,0,0]=4 5255 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000759063_100000760354 [0,0,1,1,0,0|2,0,0]=4 5256 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100000760354_100011215641 [0,0,1,1,0,0|2,0,0]=4 5257 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100011215641_100000760354 [0,0,1,1,0,0|2,0,0]=4 5258 B14R1.427 CC(=O)CCOCCCC1CCCC1 34a_100000759926_100011713738 [0,0,1,1,0,0|2,0,0]=4 5259 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100000759926_100011713738 [0,0,1,1,0,0|2,0,0]=4 5260 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100011215328_100000053229 [0,0,1,1,0,0|2,0,0]=4 5261 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100000053229_100011713738 [0,0,1,1,0,0|2,0,0]=4 5262 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100011713738_100000053229 [0,0,1,1,0,0|2,0,0]=4 5263 B14R1.427 NC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009817443 [0,0,1,1,0,0|2,0,0]=4 5264 B14R1.427 NC(=O)CCCCCNC1CCCC1 34a_100000211070_100009817443 [0,0,1,1,0,0|2,0,0]=4 5265 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000123541_100000179811 [0,0,1,1,0,0|2,0,0]=4 5266 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000210269_100009817443 [0,0,1,1,0,0|2,0,0]=4 5267 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000123541_100000179811 [0,0,1,1,0,0|2,0,0]=4 5268 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000210269_100009817443 [0,0,1,1,0,0|2,0,0]=4 5269 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100009817443_100000179811 [0,0,1,1,0,0|2,0,0]=4 5270 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100011217020_100009817443 [0,0,1,1,0,0|2,0,0]=4 5271 B14R1.427 NC(=O)CCCCNCC1CCCC1 269862a_100000696515_100000746403 [0,0,1,1,0,0|2,0,0]=4 5272 B14R1.427 NC(=O)CCCCNCC1CCCC1 34a_100000696515_100000740388 [0,0,1,1,0,0|2,0,0]=4 5273 B14R1.427 NC(=O)CCCCOCC1CCCC1 34a_100012022536_100000740388 [0,0,1,1,0,0|2,0,0]=4 5274 B14R1.427 NC(=O)CCCCOCC1CCCC1 7a_100012022536_100000740388 [0,0,1,1,0,0|2,0,0]=4 5275 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739158_100102525003 [0,0,1,1,0,0|2,0,0]=4 5276 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739312_100000760354 [0,0,1,1,0,0|2,0,0]=4 5277 B14R1.427 NC(=O)CCCOCCC1CCCC1 34a_100000749090_100102525003 [0,0,1,1,0,0|2,0,0]=4 5278 B14R1.427 NC(=O)CCCOCCC1CCCC1 7a_100000749090_100102525003 [0,0,1,1,0,0|2,0,0]=4 5279 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100000760354_100102525003 [0,0,1,1,0,0|2,0,0]=4 5280 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100102525003_100000760354 [0,0,1,1,0,0|2,0,0]=4 5281 B14R1.427 NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000744528 [0,0,1,1,0,0|2,0,0]=4 5282 B14R1.427 NC(=O)CCNCCCC1CCCC1 34a_100000736752_100000731001 [0,0,1,1,0,0|2,0,0]=4 5283 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100000757172_100011713738 [0,0,1,1,0,0|2,0,0]=4 5284 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100011215328_100000731001 [0,0,1,1,0,0|2,0,0]=4 5285 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100000757172_100011713738 [0,0,1,1,0,0|2,0,0]=4 5286 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000744528 [0,0,1,1,0,0|2,0,0]=4 5287 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100000744528_100011713738 [0,0,1,1,0,0|2,0,0]=4 5288 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000744528 [0,0,1,1,0,0|2,0,0]=4 5289 B14R1.427 O=C(O)COCCNCC1CCCC1 269956a_100000700818_100000740388 [0,0,1,1,0,0|2,0,0]=4 5290 B14R1.427 O=C(O)CONCCCC1CCCC1 269956a_100000106656_100011713738 [0,0,1,1,0,0|2,0,0]=4 5291 B14R1.427 O=C([O-])CCCCCOC1CCCC1 7a_100102619762_100000179811 [0,0,1,1,0,0|1,0,1]=4 5292 B14R1.482 CCCC1CCCCC1OCC(=O)N 34a_100011217265_100000187820 [0,0,1,1,0,0|2,0,0]=4 5293 B14R1.482 CCCC1CCCCC1OCC(=O)N 7a_100011217265_100000187820 [0,0,1,1,0,0|2,0,0]=4 5294 B14R1.482 CCCC1CCCCC1OCC(=O)[O-] 34a_100011217265_100020667443 [0,0,1,1,0,0|1,0,1]=4 5295 B14R1.482 CCCC1CCCCN1CCC(=O)C 269982a_100000701414_100000053229 [0,0,1,1,0,0|2,0,0]=4 5296 B14R1.482 CCCC1CCCCN1CCC(=O)N 2230a_100000701414_100000744528 [0,0,1,1,0,0|2,0,0]=4 5297 B14R1.482 CCCC1CCCCN1CCC(=O)N 269982a_100000701414_100000744528 [0,0,1,1,0,0|2,0,0]=4 5298 B14R1.482 CCCC1CCCCN1CCC(=O)N 34a_100000701414_100000731001 [0,0,1,1,0,0|2,0,0]=4 5299 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [0,0,1,1,0,0|1,0,0]=3 5300 B14R1.482 COCN1CCCCC1CCC(=O)O 269956a_100000694054_100000766300 [0,0,1,1,0,0|2,0,0]=4 5301 B14R1.482 CSCN1CCCCC1CCC(=O)O 269956a_100000694054_100011218213 [0,0,1,1,0,0|2,0,0]=4 5302 B14R1.482 O=C(O)CCC1CCCCN1CCF 269956a_100000694054_100011217306 [0,0,1,1,0,0|2,0,0]=4 5303 B14R1.482 O=C(O)CCC1CCCCN1CCO 269956a_100000694054_100000211926 [0,0,1,1,0,0|2,0,0]=4 5304 B14R1.498 CCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000723119 [0,0,1,1,0,0|2,0,0]=4 5305 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [0,0,1,1,0,0|1,0,0]=3 5306 B14R1.651 CCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000739092 [0,0,1,1,0,0|2,0,0]=4 5307 B14R1.651 COCCN1CCCCCC1C(=O)O 269956a_100000758484_100000233755 [0,0,1,1,0,0|2,0,0]=4 5308 B14R1.651 CSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000212216 [0,0,1,1,0,0|2,0,0]=4 5309 B14R1.651 O=C(O)C1CCCCCN1CCCF 269956a_100000758484_100011934791 [0,0,1,1,0,0|2,0,0]=4 5310 B14R1.651 O=C(O)C1CCCCCN1CCCO 269956a_100000758484_100011215043 [0,0,1,1,0,0|2,0,0]=4 5311 B14R1.786 CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210211 [0,0,1,1,0,0|2,0,0]=4 5312 B14R1.786 CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210211 [0,0,1,1,0,0|2,0,0]=4 5313 B14R1.786 CCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210210 [0,0,1,1,0,0|2,0,0]=4 5314 B14R1.903 CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210326 [0,0,1,1,0,0|2,0,0]=4 5315 B14R1.903 CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210215 [0,0,1,1,0,0|2,0,0]=4 5316 B14R1.903 CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000718602 [0,0,1,1,0,0|2,0,0]=4 5317 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [0,0,1,1,0,0|1,0,0]=3 5318 B14R1.903 CCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210326 [0,0,1,1,0,0|2,0,0]=4 5319 B14R1.903 CCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210326 [0,0,1,1,0,0|2,0,0]=4 5320 B14R1.903 CCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210326 [0,0,1,1,0,0|2,0,0]=4 5321 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [0,0,1,1,0,0|1,0,0]=3 5322 B14R1.903 CCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210147 [0,0,1,1,0,0|2,0,0]=4 5323 B14R1.903 CCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000739092 [0,0,1,1,0,0|2,0,0]=4 5324 B14R1.903 CCSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000757381 [0,0,1,1,0,0|2,0,0]=4 5325 B14R1.903 COCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000740836 [0,0,1,1,0,0|2,0,0]=4 5326 B14R1.903 COCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000233755 [0,0,1,1,0,0|2,0,0]=4 5327 B14R1.903 CSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000212216 [0,0,1,1,0,0|2,0,0]=4 5328 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCF 269956a_100009816435_100011934791 [0,0,1,1,0,0|2,0,0]=4 5329 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCO 269956a_100009816435_100011215043 [0,0,1,1,0,0|2,0,0]=4 5330 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCF 269956a_100000763471_100000729493 [0,0,1,1,0,0|2,0,0]=4 5331 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCO 269956a_100000763471_100000210776 [0,0,1,1,0,0|2,0,0]=4 5332 B14R1.1454 CC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011215641 [0,0,1,1,0,0|2,0,0]=4 5333 B14R1.1454 CC(=O)CCCN1CCCCCCC1 34a_100000211400_100000685027 [0,0,1,1,0,0|2,0,0]=4 5334 B14R1.1454 CC(=O)CCOC1CCCCCCC1 7a_100000210054_100000053229 [0,0,1,1,0,0|2,0,0]=4 5335 B14R1.1454 CC(=O)NCCC1CCCCCCC1 11a_100011532352_100015343762 [0,0,1,1,0,0|2,0,0]=4 5336 B14R1.1454 CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100015343762 [0,0,1,1,0,0|2,0,0]=4 5337 B14R1.1454 CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100015343762 [0,0,1,1,0,0|2,0,0]=4 5338 B14R1.1454 CC(=O)NCCC1CCCCCCC1 527a_100011532352_100103153847 [0,0,1,1,0,0|2,0,0]=4 5339 B14R1.1454 NC(=O)CCCN1CCCCCCC1 269982a_100000211400_100102525003 [0,0,1,1,0,0|2,0,0]=4 5340 B14R1.1454 NC(=O)CCCN1CCCCCCC1 34a_100000211400_100102525003 [0,0,1,1,0,0|2,0,0]=4 5341 B14R1.1454 NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000744528 [0,0,1,1,0,0|2,0,0]=4 5342 B14R1.1454 NC(=O)CCNC1CCCCCCC1 34a_100000211152_100000731001 [0,0,1,1,0,0|2,0,0]=4 5343 B14R1.1454 NC(=O)CCOC1CCCCCCC1 34a_100000210054_100000731001 [0,0,1,1,0,0|2,0,0]=4 5344 B14R1.1454 NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000744528 [0,0,1,1,0,0|2,0,0]=4 5345 B14R1.1454 NC(=O)COCC1CCCCCCC1 34a_100011216312_100000187820 [0,0,1,1,0,0|2,0,0]=4 5346 B14R1.1454 NC(=O)COCC1CCCCCCC1 7a_100011216312_100000187820 [0,0,1,1,0,0|2,0,0]=4 5347 B14R1.1454 O=C([O-])COCC1CCCCCCC1 34a_100011216312_100020667443 [0,0,1,1,0,0|1,0,1]=4 5348 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [0,0,1,1,0,0|1,0,0]=3 5349 B14R1.3447 CCCCOCCN1CCC1C(=O)O 269956a_100000021838_100000743108 [0,0,1,1,0,0|2,0,0]=4 5350 B14R1.3447 O=C(O)C1CCN1CCCCCCF 269956a_100000021838_100015922095 [0,0,1,1,0,0|2,0,0]=4 5351 B14R1.3447 O=C(O)C1CCN1CCCCCCO 269956a_100000021838_100000766143 [0,0,1,1,0,0|2,0,0]=4 5352 B14R1.4521 NC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009817443 [0,0,1,1,0,0|2,0,0]=4 5353 B14R1.4521 NC(=O)CCCCCNCC1CCC1 34a_100000738700_100009817443 [0,0,1,1,0,0|2,0,0]=4 5354 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000123541_100000763275 [0,0,1,1,0,0|2,0,0]=4 5355 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000760304_100009817443 [0,0,1,1,0,0|2,0,0]=4 5356 B14R1.4521 NC(=O)CCCCCOCC1CCC1 7a_100000123541_100000763275 [0,0,1,1,0,0|2,0,0]=4 5357 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100000763275_100009817443 [0,0,1,1,0,0|2,0,0]=4 5358 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100009817443_100000763275 [0,0,1,1,0,0|2,0,0]=4 5359 B14R1.4521 O=C([O-])CCCCCOCC1CCC1 7a_100102619762_100000763275 [0,0,1,1,0,0|1,0,1]=4 5360 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [0,0,1,1,0,0|1,0,0]=3 5361 B14R1.5254 O=C(O)[C@H]1CCCCCC[C@H]1NCF 269956a_200049070474_100015361967 [0,0,1,1,0,0|2,0,0]=4 5362 B14R1.6335 CC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000053229 [0,0,1,1,0,0|2,0,0]=4 5363 B14R1.6335 NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000744528 [0,0,1,1,0,0|2,0,0]=4 5364 B14R1.6335 NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000744528 [0,0,1,1,0,0|2,0,0]=4 5365 B14R1.6335 NC(=O)CCN1CCCCCCCC1 34a_100000039187_100000731001 [0,0,1,1,0,0|2,0,0]=4 5366 B14R1.6343 CC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000735457 [0,0,1,1,0,0|2,0,0]=4 5367 B14R1.6343 CC(=O)CCCCN1CCCCCC1 34a_100000185865_100009817362 [0,0,1,1,0,0|2,0,0]=4 5368 B14R1.6343 CC(=O)CCCNC1CCCCCC1 34a_100000210984_100000685027 [0,0,1,1,0,0|2,0,0]=4 5369 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000210887_100000685027 [0,0,1,1,0,0|2,0,0]=4 5370 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000759063_100011217769 [0,0,1,1,0,0|2,0,0]=4 5371 B14R1.6343 CC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215641 [0,0,1,1,0,0|2,0,0]=4 5372 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011215641_100011217769 [0,0,1,1,0,0|2,0,0]=4 5373 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011217769_100011215641 [0,0,1,1,0,0|2,0,0]=4 5374 B14R1.6343 CC(=O)CCOCC1CCCCCC1 34a_100000759926_200000696569 [0,0,1,1,0,0|2,0,0]=4 5375 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000699130_100000053229 [0,0,1,1,0,0|2,0,0]=4 5376 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000759926_200000696569 [0,0,1,1,0,0|2,0,0]=4 5377 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_100000053229_200000696569 [0,0,1,1,0,0|2,0,0]=4 5378 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_200000696569_100000053229 [0,0,1,1,0,0|2,0,0]=4 5379 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000210984_100102525003 [0,0,1,1,0,0|2,0,0]=4 5380 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000739312_100011217769 [0,0,1,1,0,0|2,0,0]=4 5381 B14R1.6343 NC(=O)CCCOC1CCCCCC1 34a_100000210887_100102525003 [0,0,1,1,0,0|2,0,0]=4 5382 B14R1.6343 NC(=O)CCCOC1CCCCCC1 7a_100000210887_100102525003 [0,0,1,1,0,0|2,0,0]=4 5383 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100011217769_100102525003 [0,0,1,1,0,0|2,0,0]=4 5384 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100102525003_100011217769 [0,0,1,1,0,0|2,0,0]=4 5385 B14R1.6343 NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000744528 [0,0,1,1,0,0|2,0,0]=4 5386 B14R1.6343 NC(=O)CCNCC1CCCCCC1 269862a_100000740010_200000763224 [0,0,1,1,0,0|2,0,0]=4 5387 B14R1.6343 NC(=O)CCNCC1CCCCCC1 34a_100015204231_100000731001 [0,0,1,1,0,0|2,0,0]=4 5388 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000699130_100000731001 [0,0,1,1,0,0|2,0,0]=4 5389 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000757172_200000696569 [0,0,1,1,0,0|2,0,0]=4 5390 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000744528 [0,0,1,1,0,0|2,0,0]=4 5391 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000757172_200000696569 [0,0,1,1,0,0|2,0,0]=4 5392 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_100000744528_200000696569 [0,0,1,1,0,0|2,0,0]=4 5393 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000744528 [0,0,1,1,0,0|2,0,0]=4 5394 B14R1.6343 NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747473 [0,0,1,1,0,0|2,0,0]=4 5395 B14R1.6343 NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000187820 [0,0,1,1,0,0|2,0,0]=4 5396 B14R1.6343 O=C(O)CNCCN1CCCCCC1 269956a_100016091260_100000722644 [0,0,1,1,0,0|2,0,0]=4 5397 B14R1.6343 O=C(O)CONCC1CCCCCC1 269956a_100000106656_200000696569 [0,0,1,1,0,0|2,0,0]=4 5398 B14R1.6343 O=C([O-])CNCCC1CCCCCC1 34a_100011532351_100020667443 [0,0,1,1,0,0|1,0,1]=4 5399 B14R1.6388 NC(=O)CCCCCNCCC1CC1 34a_100000764129_100009817443 [0,0,1,1,0,0|2,0,0]=4 5400 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000123541_100000694398 [0,0,1,1,0,0|2,0,0]=4 5401 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000754188_100009817443 [0,0,1,1,0,0|2,0,0]=4 5402 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000123541_100000764125 [0,0,1,1,0,0|2,0,0]=4 5403 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000754188_100009817443 [0,0,1,1,0,0|2,0,0]=4 5404 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100000764125_100009817443 [0,0,1,1,0,0|2,0,0]=4 5405 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100009817443_100000764125 [0,0,1,1,0,0|2,0,0]=4 5406 B14R1.6388 O=C([O-])CCCCCOCCC1CC1 7a_100102619762_100000764125 [0,0,1,1,0,0|1,0,1]=4 5407 B14R1.68 CC(=O)OC1CCC(CC1)NCCO 270004a_100000210304_200000086378 [0,0,1,1,0,0|2,0,0]=4 5408 B14R1.68 CCCCC1CCC(CC1)NC(=O)C 11a_100000745173_100015343762 [0,0,1,1,0,0|1,0,0]=3 5409 B14R1.68 CCCCC1CCC(CC1)NC(=O)C 1626a_100000745173_100015343762 [0,0,1,1,0,0|1,0,0]=3 5410 B14R1.68 CCCCC1CCC(CC1)NC(=O)C 240690a_100000745173_100015343762 [0,0,1,1,0,0|1,0,0]=3 5411 B14R1.68 CCCCC1CCC(CC1)NC(=O)C 527a_100000745173_100103153847 [0,0,1,1,0,0|1,0,0]=3 5412 B14R1.68 CCCCC1CCC(CC1)OC(C)C 34a_200000035503_100000210206 [0,0,1,1,0,0|1,0,1]=4 5413 B14R1.68 CCCCC1CCC(CC1)OC(C)C 7a_200000035503_100000210206 [0,0,1,1,0,0|1,0,1]=4 5414 B14R1.68 CCCCN1CCC(CC1)NC(=O)C 11a_100000746687_100015343762 [0,0,1,1,0,0|2,0,0]=4 5415 B14R1.68 CCCCN1CCC(CC1)NC(=O)C 1626a_100000746687_100015343762 [0,0,1,1,0,0|2,0,0]=4 5416 B14R1.68 CCCCN1CCC(CC1)NC(=O)C 2230a_100000747453_100000210211 [0,0,1,1,0,0|2,0,0]=4 5417 B14R1.68 CCCCN1CCC(CC1)NC(=O)C 240690a_100000746687_100015343762 [0,0,1,1,0,0|2,0,0]=4 5418 B14R1.68 CCCCN1CCC(CC1)NC(=O)C 269982a_100000747453_100000210211 [0,0,1,1,0,0|2,0,0]=4 5419 B14R1.68 CCCCN1CCC(CC1)NC(=O)C 527a_100000746687_100103153847 [0,0,1,1,0,0|2,0,0]=4 5420 B14R1.68 CCCNC1CCC(CC1)NC(=O)C 270004a_100020643023_100000735651 [0,0,1,1,0,0|2,0,0]=4 5421 B14R1.68 CCCNC1CCC(CC1)OC(=O)C 270004a_100020643023_200000086378 [0,0,1,1,0,0|1,0,0]=3 5422 B14R1.68 CCCOC1CCC(CC1)NC(=O)C 34a_100000161027_100000210303 [0,0,1,1,0,0|2,0,0]=4 5423 B14R1.68 CCCOC1CCC(CC1)NC(=O)C 7a_100000161027_100000210303 [0,0,1,1,0,0|2,0,0]=4 5424 B14R1.549 CC(=O)N[C@H](CO)CC1CCCCC1 240690a_100015184289_100015343762 [0,0,1,1,0,0|2,0,0]=4 5425 B14R1.549 CC(=O)N[C@H](CO)CC1CCCCC1 527a_100015184289_100103153847 [0,0,1,1,0,0|2,0,0]=4 5426 B14R1.886 CCCCCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210326 [0,0,1,1,0,0|2,0,0]=4 5427 B14R1.886 CCCCCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000210215 [0,0,1,1,0,0|2,0,0]=4 5428 B14R1.6521 CCCCCCCC(CC)OC1CC1 34a_200011217053_100000211595 [0,0,1,1,0,0|1,0,1]=4 5429 B14R1.494 CCCN(CC=O)CC1CCCCC1 2230a_100000743638_200015260668 [0,0,1,1,0,0|2,0,0]=4 5430 B14R1.494 CCCN(CC=O)CC1CCCCC1 269982a_100000743638_200015260668 [0,0,1,1,0,0|2,0,0]=4 5431 B14R1.494 CCCN(CC=O)CC1CCCCC1 34a_100000743638_200009817547 [0,0,1,1,0,0|2,0,0]=4 5432 B14R1.18111 CCCN(CC=O)C1CCCCCC1 2230a_100015187045_200015260668 [0,0,1,1,0,0|2,0,0]=4 5433 B14R1.18111 CCCN(CC=O)C1CCCCCC1 269982a_100015187045_200015260668 [0,0,1,1,0,0|2,0,0]=4 5434 B14R1.18111 CCCN(CC=O)C1CCCCCC1 34a_100015187045_200009817547 [0,0,1,1,0,0|2,0,0]=4 5435 B14R1.470 CCCN1CCCC(C1)NC(=O)CC 11a_100011435248_100000210414 [0,0,1,1,0,0|2,0,0]=4 5436 B14R1.470 CCCN1CCCC(C1)NC(=O)CC 1626a_100011435248_100000210414 [0,0,1,1,0,0|2,0,0]=4 5437 B14R1.470 CCCN1CCCC(C1)NC(=O)CC 240690a_100011435248_100000210414 [0,0,1,1,0,0|2,0,0]=4 5438 B14R1.470 CCCN1CCCC(C1)NC(=O)CC 527a_100011435248_100000210414 [0,0,1,1,0,0|2,0,0]=4 5439 B14R1.743 CCC(=O)CN(C)CC1CCCCC1 269982a_100000736448_100000747405 [0,0,1,1,0,0|2,0,0]=4 5440 B14R1.743 CCC(=O)NC(C)CN1CCCCC1 11a_100000738326_100000210414 [0,0,1,1,0,0|2,0,0]=4 5441 B14R1.743 CCC(=O)NC(C)CN1CCCCC1 1626a_100000738326_100000210414 [0,0,1,1,0,0|2,0,0]=4 5442 B14R1.743 CCC(=O)NC(C)CN1CCCCC1 240690a_100000738326_100000210414 [0,0,1,1,0,0|2,0,0]=4 5443 B14R1.743 CCC(=O)NC(C)CN1CCCCC1 527a_100000738326_100000210414 [0,0,1,1,0,0|2,0,0]=4 5444 B14R1.1224 CCC(=O)CN1CCCCCCCC1 269982a_100000039187_100000747405 [0,0,1,1,0,0|2,0,0]=4 5445 B14R1.4517 CCCCCCCC(C)OC1CCC1 34a_100000748187_200011218727 [0,0,1,1,0,0|1,0,1]=4 5446 B14R1.4517 CCCCCCCC(C)OC1CCC1 34a_200011215852_100000749161 [0,0,1,1,0,0|1,0,1]=4 5447 B14R1.4519 CCCCCCCN(C)C1CCC1=O 269982a_100000228206_100009892977 [0,0,1,1,0,0|2,0,0]=4 5448 B14R1.6748 CCCCCCCC(C)OC1(CC1)C 7a_100011725673_200011218727 [0,0,1,1,0,0|1,0,1]=4 5449 B14R1.7055 CCC(=O)CC(C)N1CCCCCC1 1458a_100015185830_100000210202 [0,0,1,1,0,0|2,0,0]=4 5450 B14R1.7055 CCC(=O)CN(C)C1CCCCCC1 269982a_100015185097_100000747405 [0,0,1,1,0,0|2,0,0]=4 5451 B14R1.3001 CN(CCCC=O)C1CCCCCC1 2230a_100015185097_200011292268 [0,0,1,1,0,0|2,0,0]=4 5452 B14R1.3001 CN(CCCC=O)C1CCCCCC1 269982a_100015185097_200011292268 [0,0,1,1,0,0|2,0,0]=4 5453 B14R1.6533 O=CCCCN1CCCCCCCC1 2230a_100000039187_200011292268 [0,0,1,1,0,0|2,0,0]=4 5454 B14R1.6533 O=CCCCN1CCCCCCCC1 269982a_100000039187_200011292268 [0,0,1,1,0,0|2,0,0]=4 5455 B14R2.716 O=C1CCCC(C1)OC2CCCC2 34a_100012613340_100000179811 [1,0,0,1,0,0|2,0,0]=4 5456 B14R2.4475 O=C1CCCC(C1)OCC2CCC2 34a_100012613340_100000763275 [1,0,0,1,0,0|2,0,0]=4 5457 B14R2.4475 O=C1CCCC(N1)COC2CCC2 34a_200000102386_100000749161 [1,0,0,1,0,0|2,0,0]=4 5458 B14R2.9061 O=C1CCCC(C1)OCCC2CC2 34a_100012613340_100000694398 [1,0,0,1,0,0|2,0,0]=4 5459 B14R2.9061 O=C1CCCC(N1)COCC2CC2 34a_200000102386_100000742324 [1,0,0,1,0,0|2,0,0]=4 5460 B14R2.6 C1=CC(CCC1)NC2CCCCC2 2230a_100000182618_100000751183 [1,0,0,1,0,0|2,0,0]=4 5461 B14R2.6 C1=CC(CCC1)OC2CCCCC2 34a_100011215024_100000210327 [1,0,0,1,0,0|2,0,0]=4 5462 B14R2.6 C1=CC(CCC1)OC2CCCCC2 7a_100000210231_100000751183 [1,0,0,1,0,0|2,0,0]=4 5463 B14R2.6 C1=CC(CCC1)SC2CCCCC2 62a_100000210327_100000751183 [1,0,0,1,0,0|2,0,0]=4 5464 B14R2.6 C1=CC(CCC1)SC2CCCCC2 62a_100000751183_100000210327 [1,0,0,1,0,0|2,0,0]=4 5465 B14R2.6 C1CCC(CC1)OC2CCCCO2 34a_100000033831_100000210327 [1,0,0,1,0,0|1,0,1]=4 5466 B14R2.14 CCC1CCCN1C2C=CCCC2 2230a_100000754278_100000751183 [1,0,0,1,0,0|2,0,0]=4 5467 B14R2.14 CCC1CCCN1C2C=CCCC2 269982a_100000754278_100000751183 [1,0,0,1,0,0|2,0,0]=4 5468 B14R2.24 CC1CCCCN1C2C=CCCC2 2230a_100000211376_100000751183 [1,0,0,1,0,0|2,0,0]=4 5469 B14R2.24 CC1CCCCN1C2C=CCCC2 269982a_100000211376_100000751183 [1,0,0,1,0,0|2,0,0]=4 5470 B14R2.30 CC1CCCC1OC2C=CCCC2 7a_100011216460_100000751183 [1,0,0,1,0,0|2,0,0]=4 5471 B14R2.30 C[C@@H]1CCCN1CC2CCCCO2 2230a_100015189458_100000211543 [1,0,0,1,0,0|1,0,1]=4 5472 B14R2.30 C[C@@H]1CCCN1CC2CCCCO2 269982a_100015189458_100000211543 [1,0,0,1,0,0|1,0,1]=4 5473 B14R2.30 C[C@@H]1CCCN1CC2CCCCO2 34a_100015189458_100000211543 [1,0,0,1,0,0|1,0,1]=4 5474 B14R2.30 C[C@H]1CCCN1CC2CCCCO2 2230a_100020605311_100000211543 [1,0,0,1,0,0|1,0,1]=4 5475 B14R2.30 C[C@H]1CCCN1CC2CCCCO2 269982a_100020605311_100000211543 [1,0,0,1,0,0|1,0,1]=4 5476 B14R2.49 CC1CC1COCC2CCCCO2 34a_100000744939_100000211543 [1,0,0,1,0,0|1,0,1]=4 5477 B14R2.49 CC1CC1COCC2CCCCO2 7a_100000744939_100000211543 [1,0,0,1,0,0|1,0,1]=4 5478 B14R2.101 C1=CC(CCC1)NCC2CCCC2 2230a_100000737975_100000751183 [1,0,0,1,0,0|2,0,0]=4 5479 B14R2.101 C1=CC(CCC1)OCC2CCCC2 34a_100011215024_100000740388 [1,0,0,1,0,0|2,0,0]=4 5480 B14R2.101 C1=CC(CCC1)OCC2CCCC2 7a_100000742336_100000751183 [1,0,0,1,0,0|2,0,0]=4 5481 B14R2.101 C1=CC(CCC1)SCC2CCCC2 62a_100000740388_100000751183 [1,0,0,1,0,0|2,0,0]=4 5482 B14R2.101 C1=CC(CCC1)SCC2CCCC2 62a_100000751183_100000740388 [1,0,0,1,0,0|2,0,0]=4 5483 B14R2.101 C1=COC(CC1)COC2CCCC2 34a_100011217868_100000179811 [1,0,0,1,0,0|1,0,1]=4 5484 B14R2.101 C1CCC(OC1)CNC2CCCC2 2230a_100000174945_100000179811 [1,0,0,1,0,0|1,0,1]=4 5485 B14R2.101 C1CCC(OC1)CNC2CCCC2 2230a_100000211070_100000211543 [1,0,0,1,0,0|1,0,1]=4 5486 B14R2.101 C1CCC(OC1)CNC2CCCC2 270004a_100000174945_100000210133 [1,0,0,1,0,0|1,0,1]=4 5487 B14R2.101 C1CCC(OC1)CNC2CCCC2 34a_100000174945_100000179811 [1,0,0,1,0,0|1,0,1]=4 5488 B14R2.101 C1CCC(OC1)CNC2CCCC2 34a_100000211070_100000211543 [1,0,0,1,0,0|1,0,1]=4 5489 B14R2.101 C1CCC(OC1)COC2CCCC2 34a_100000210269_100000211543 [1,0,0,1,0,0|1,0,1]=4 5490 B14R2.101 C1CCC(OC1)COC2CCCC2 34a_100000211370_100000179811 [1,0,0,1,0,0|1,0,1]=4 5491 B14R2.101 C1CCC(OC1)COC2CCCC2 7a_100000210269_100000211543 [1,0,0,1,0,0|1,0,1]=4 5492 B14R2.101 C1CCC(OC1)COC2CCCC2 7a_100000211370_100000179811 [1,0,0,1,0,0|1,0,1]=4 5493 B14R2.101 C1CCC(OC1)CSC2CCCC2 62a_100000211543_100000179811 [1,0,0,1,0,0|1,0,1]=4 5494 B14R2.101 C1CCC(OC1)CSC2CCCC2 62a_100011217020_100000211543 [1,0,0,1,0,0|1,0,1]=4 5495 B14R2.101 C1CCC(OC1)OCC2CCCC2 34a_100000033831_100000740388 [1,0,0,1,0,0|1,0,1]=4 5496 B14R2.1253 C1=CC(CCC1)N2CCCCCC2 2230a_100000185865_100000751183 [1,0,0,1,0,0|2,0,0]=4 5497 B14R2.1253 C1=CC(CCC1)N2CCCCCC2 269982a_100000185865_100000751183 [1,0,0,1,0,0|2,0,0]=4 5498 B14R2.3018 C1=COC(CC1)COCCC2CC2 34a_100011217868_100000694398 [1,0,0,1,0,0|1,0,1]=4 5499 B14R2.3018 C1CCC(OC1)CCNCC2CC2 2230a_100015183643_100000742324 [1,0,0,1,0,0|1,0,1]=4 5500 B14R2.3018 C1CCC(OC1)CCNCC2CC2 269862a_100015183643_100000741477 [1,0,0,1,0,0|1,0,1]=4 5501 B14R2.3018 C1CCC(OC1)CCNCC2CC2 34a_100015183643_100000742324 [1,0,0,1,0,0|1,0,1]=4 5502 B14R2.3018 C1CCC(OC1)CNCCC2CC2 2230a_100000174945_100000694398 [1,0,0,1,0,0|1,0,1]=4 5503 B14R2.3018 C1CCC(OC1)CNCCC2CC2 34a_100000174945_100000694398 [1,0,0,1,0,0|1,0,1]=4 5504 B14R2.3018 C1CCC(OC1)CNCCC2CC2 34a_100000764129_100000211543 [1,0,0,1,0,0|1,0,1]=4 5505 B14R2.3018 C1CCC(OC1)COCCC2CC2 34a_100000211370_100000694398 [1,0,0,1,0,0|1,0,1]=4 5506 B14R2.3018 C1CCC(OC1)COCCC2CC2 34a_100000754188_100000211543 [1,0,0,1,0,0|1,0,1]=4 5507 B14R2.3018 C1CCC(OC1)COCCC2CC2 7a_100000211370_100000764125 [1,0,0,1,0,0|1,0,1]=4 5508 B14R2.3018 C1CCC(OC1)COCCC2CC2 7a_100000754188_100000211543 [1,0,0,1,0,0|1,0,1]=4 5509 B14R2.3018 C1CCC(OC1)CSCCC2CC2 62a_100000211543_100000764125 [1,0,0,1,0,0|1,0,1]=4 5510 B14R2.3018 C1CCC(OC1)CSCCC2CC2 62a_100000764125_100000211543 [1,0,0,1,0,0|1,0,1]=4 5511 B14R2.3019 C1=COC(CC1)COCC2CCC2 34a_100011217868_100000763275 [1,0,0,1,0,0|1,0,1]=4 5512 B14R2.3019 C1CCC(OC1)CCNC2CCC2 270004a_100015183643_100000241760 [1,0,0,1,0,0|1,0,1]=4 5513 B14R2.3019 C1CCC(OC1)CCNC2CCC2 34a_100015183643_100000749161 [1,0,0,1,0,0|1,0,1]=4 5514 B14R2.3019 C1CCC(OC1)CNCC2CCC2 2230a_100000174945_100000763275 [1,0,0,1,0,0|1,0,1]=4 5515 B14R2.3019 C1CCC(OC1)CNCC2CCC2 2230a_100000738700_100000211543 [1,0,0,1,0,0|1,0,1]=4 5516 B14R2.3019 C1CCC(OC1)CNCC2CCC2 269862a_100000174945_100000753134 [1,0,0,1,0,0|1,0,1]=4 5517 B14R2.3019 C1CCC(OC1)CNCC2CCC2 34a_100000174945_100000763275 [1,0,0,1,0,0|1,0,1]=4 5518 B14R2.3019 C1CCC(OC1)CNCC2CCC2 34a_100000738700_100000211543 [1,0,0,1,0,0|1,0,1]=4 5519 B14R2.3019 C1CCC(OC1)COCC2CCC2 34a_100000211370_100000763275 [1,0,0,1,0,0|1,0,1]=4 5520 B14R2.3019 C1CCC(OC1)COCC2CCC2 34a_100000760304_100000211543 [1,0,0,1,0,0|1,0,1]=4 5521 B14R2.3019 C1CCC(OC1)COCC2CCC2 7a_100000211370_100000763275 [1,0,0,1,0,0|1,0,1]=4 5522 B14R2.3019 C1CCC(OC1)CSCC2CCC2 62a_100000211543_100000763275 [1,0,0,1,0,0|1,0,1]=4 5523 B14R2.3019 C1CCC(OC1)CSCC2CCC2 62a_100000763275_100000211543 [1,0,0,1,0,0|1,0,1]=4 5524 B14R2.3316 CCCNCC1CC2C=CC1CC2 269862a_100020643023_100010619355 [1,0,0,1,0,0|2,0,0]=4 5525 B14R2.19 O=C1CCC(C1)OC2CCCCC2 34a_100012614533_100000210327 [0,0,0,1,1,0|2,0,0]=4 5526 B14R2.19 O=C1OCC(O1)NC2CCCCC2 34a_100000182618_100000032252 [0,0,0,1,1,0|2,0,0]=4 5527 B14R2.19 O=C1OCC(O1)OC2CCCCC2 34a_100000210231_100000032252 [0,0,0,1,1,0|2,0,0]=4 5528 B14R2.19 O=C1OCC(O1)SC2CCCCC2 62a_100000210327_100000032252 [0,0,0,1,1,0|2,0,0]=4 5529 B14R2.97 CCC1CCCN1C2COC(=O)O2 34a_100000754278_100000032252 [0,0,0,1,1,0|2,0,0]=4 5530 B14R2.252 O=C1CCC(C1)OCC2CCCC2 34a_100012614533_100000740388 [0,0,0,1,1,0|2,0,0]=4 5531 B14R2.252 O=C1CCC(N1)COC2CCCC2 34a_100000737831_100000179811 [0,0,0,1,1,0|2,0,0]=4 5532 B14R2.252 O=C1CC[C@@H](N1)CNC2CCCC2 2230a_100015423886_100000179811 [0,0,0,1,1,0|2,0,0]=4 5533 B14R2.252 O=C1CC[C@@H](N1)CNC2CCCC2 270004a_100015423886_100000210133 [0,0,0,1,1,0|2,0,0]=4 5534 B14R2.252 O=C1CC[C@@H](N1)CNC2CCCC2 34a_100015423886_100000179811 [0,0,0,1,1,0|2,0,0]=4 5535 B14R2.252 O=C1CC[C@H](N1)CNC2CCCC2 2230a_100000211070_100015189358 [0,0,0,1,1,0|2,0,0]=4 5536 B14R2.252 O=C1CC[C@H](N1)COC2CCCC2 7a_100000210269_100015189358 [0,0,0,1,1,0|2,0,0]=4 5537 B14R2.252 O=C1CC[C@H](N1)CSC2CCCC2 62a_100011217020_100015189358 [0,0,0,1,1,0|2,0,0]=4 5538 B14R2.252 O=C1CC[C@H](N1)CSC2CCCC2 62a_100015189358_100000179811 [0,0,0,1,1,0|2,0,0]=4 5539 B14R2.252 O=C1NCC(O1)CNC2CCCC2 2230a_100000211070_100000181169 [0,0,0,1,1,0|2,0,0]=4 5540 B14R2.252 O=C1NCC(O1)CNC2CCCC2 34a_100000211070_100000181169 [0,0,0,1,1,0|2,0,0]=4 5541 B14R2.252 O=C1NCC(O1)COC2CCCC2 34a_100000210269_100000181169 [0,0,0,1,1,0|2,0,0]=4 5542 B14R2.252 O=C1NCC(O1)COC2CCCC2 34a_100011315639_100000179811 [0,0,0,1,1,0|2,0,0]=4 5543 B14R2.252 O=C1NCC(O1)COC2CCCC2 7a_100000210269_100000181169 [0,0,0,1,1,0|2,0,0]=4 5544 B14R2.252 O=C1NCC(O1)CSC2CCCC2 62a_100000181169_100000179811 [0,0,0,1,1,0|2,0,0]=4 5545 B14R2.252 O=C1NCC(O1)CSC2CCCC2 62a_100011217020_100000181169 [0,0,0,1,1,0|2,0,0]=4 5546 B14R2.252 O=C1OCC(O1)CNC2CCCC2 34a_100000211070_100000073702 [0,0,0,1,1,0|2,0,0]=4 5547 B14R2.252 O=C1OCC(O1)COC2CCCC2 34a_100000210269_100000073702 [0,0,0,1,1,0|2,0,0]=4 5548 B14R2.252 O=C1OCC(O1)CSC2CCCC2 62a_100000073702_100000179811 [0,0,0,1,1,0|2,0,0]=4 5549 B14R2.252 O=C1OCC(O1)CSC2CCCC2 62a_100011217020_100000073702 [0,0,0,1,1,0|2,0,0]=4 5550 B14R2.252 O=C1OCC(O1)NCC2CCCC2 34a_100000737975_100000032252 [0,0,0,1,1,0|2,0,0]=4 5551 B14R2.252 O=C1OCC(O1)OCC2CCCC2 34a_100000742336_100000032252 [0,0,0,1,1,0|2,0,0]=4 5552 B14R2.252 O=C1OCC(O1)SCC2CCCC2 62a_100000740388_100000032252 [0,0,0,1,1,0|2,0,0]=4 5553 B14R2.256 CC1CCCCN1C2COC(=O)O2 34a_100000211376_100000032252 [0,0,0,1,1,0|2,0,0]=4 5554 B14R2.257 CC1CC1COCC2CNC(=O)O2 34a_100000744939_100000181169 [0,0,0,1,1,0|2,0,0]=4 5555 B14R2.257 CC1CC1COCC2CNC(=O)O2 7a_100000744939_100000181169 [0,0,0,1,1,0|2,0,0]=4 5556 B14R2.257 CC1CC1COCC2COC(=O)O2 34a_100000744939_100000073702 [0,0,0,1,1,0|2,0,0]=4 5557 B14R2.257 CC1CC1COC[C@@H]2CCC(=O)N2 7a_100000744939_100015189358 [0,0,0,1,1,0|2,0,0]=4 5558 B14R2.259 CC1CCCC1OC2COC(=O)O2 34a_100011216460_100000032252 [0,0,0,1,1,0|2,0,0]=4 5559 B14R2.259 C[C@@H]1CCCN1CC2CNC(=O)O2 2230a_100015189458_100000181169 [0,0,0,1,1,0|2,0,0]=4 5560 B14R2.259 C[C@@H]1CCCN1CC2CNC(=O)O2 269982a_100015189458_100000181169 [0,0,0,1,1,0|2,0,0]=4 5561 B14R2.259 C[C@@H]1CCCN1CC2CNC(=O)O2 34a_100015189458_100000181169 [0,0,0,1,1,0|2,0,0]=4 5562 B14R2.259 C[C@@H]1CCCN1CC2COC(=O)O2 269982a_100015189458_100000073702 [0,0,0,1,1,0|2,0,0]=4 5563 B14R2.259 C[C@@H]1CCCN1CC2COC(=O)O2 34a_100015189458_100000073702 [0,0,0,1,1,0|2,0,0]=4 5564 B14R2.259 C[C@@H]1CCCN1C[C@@H]2CCC(=O)N2 2230a_100015189458_100015189358 [0,0,0,1,1,0|2,0,0]=4 5565 B14R2.259 C[C@@H]1CCCN1C[C@@H]2CCC(=O)N2 269982a_100015189458_100015189358 [0,0,0,1,1,0|2,0,0]=4 5566 B14R2.259 C[C@H]1CCCN1CC2CNC(=O)O2 2230a_100020605311_100000181169 [0,0,0,1,1,0|2,0,0]=4 5567 B14R2.259 C[C@H]1CCCN1CC2CNC(=O)O2 269982a_100020605311_100000181169 [0,0,0,1,1,0|2,0,0]=4 5568 B14R2.259 C[C@H]1CCCN1CC2COC(=O)O2 269982a_100020605311_100000073702 [0,0,0,1,1,0|2,0,0]=4 5569 B14R2.259 C[C@H]1CCCN1C[C@@H]2CCC(=O)N2 2230a_100020605311_100015189358 [0,0,0,1,1,0|2,0,0]=4 5570 B14R2.259 C[C@H]1CCCN1C[C@@H]2CCC(=O)N2 269982a_100020605311_100015189358 [0,0,0,1,1,0|2,0,0]=4 5571 B14R2.4359 O=C1OCC(O1)N2CCCCCC2 34a_100000185865_100000032252 [0,0,0,1,1,0|2,0,0]=4 5572 B14R2.4374 O=C1CCC(N1)COCCC2CC2 34a_100000737831_100000694398 [0,0,0,1,1,0|2,0,0]=4 5573 B14R2.4374 O=C1CC[C@@H](N1)CNCCC2CC2 2230a_100015423886_100000694398 [0,0,0,1,1,0|2,0,0]=4 5574 B14R2.4374 O=C1CC[C@@H](N1)CNCCC2CC2 34a_100015423886_100000694398 [0,0,0,1,1,0|2,0,0]=4 5575 B14R2.4374 O=C1CC[C@H](N1)COCCC2CC2 7a_100000754188_100015189358 [0,0,0,1,1,0|2,0,0]=4 5576 B14R2.4374 O=C1CC[C@H](N1)CSCCC2CC2 62a_100000764125_100015189358 [0,0,0,1,1,0|2,0,0]=4 5577 B14R2.4374 O=C1CC[C@H](N1)CSCCC2CC2 62a_100015189358_100000764125 [0,0,0,1,1,0|2,0,0]=4 5578 B14R2.4374 O=C1NCC(O1)CNCCC2CC2 34a_100000764129_100000181169 [0,0,0,1,1,0|2,0,0]=4 5579 B14R2.4374 O=C1NCC(O1)COCCC2CC2 34a_100000754188_100000181169 [0,0,0,1,1,0|2,0,0]=4 5580 B14R2.4374 O=C1NCC(O1)COCCC2CC2 34a_100011315639_100000694398 [0,0,0,1,1,0|2,0,0]=4 5581 B14R2.4374 O=C1NCC(O1)COCCC2CC2 7a_100000754188_100000181169 [0,0,0,1,1,0|2,0,0]=4 5582 B14R2.4374 O=C1NCC(O1)CSCCC2CC2 62a_100000181169_100000764125 [0,0,0,1,1,0|2,0,0]=4 5583 B14R2.4374 O=C1NCC(O1)CSCCC2CC2 62a_100000764125_100000181169 [0,0,0,1,1,0|2,0,0]=4 5584 B14R2.4374 O=C1OCC(O1)CNCCC2CC2 34a_100000764129_100000073702 [0,0,0,1,1,0|2,0,0]=4 5585 B14R2.4374 O=C1OCC(O1)COCCC2CC2 34a_100000754188_100000073702 [0,0,0,1,1,0|2,0,0]=4 5586 B14R2.4374 O=C1OCC(O1)CSCCC2CC2 62a_100000073702_100000764125 [0,0,0,1,1,0|2,0,0]=4 5587 B14R2.4374 O=C1OCC(O1)CSCCC2CC2 62a_100000764125_100000073702 [0,0,0,1,1,0|2,0,0]=4 5588 B14R2.4390 O=C1CCC(N1)COCC2CCC2 34a_100000737831_100000763275 [0,0,0,1,1,0|2,0,0]=4 5589 B14R2.4390 O=C1CC[C@@H](N1)CNCC2CCC2 2230a_100015423886_100000763275 [0,0,0,1,1,0|2,0,0]=4 5590 B14R2.4390 O=C1CC[C@@H](N1)CNCC2CCC2 269862a_100015423886_100000753134 [0,0,0,1,1,0|2,0,0]=4 5591 B14R2.4390 O=C1CC[C@@H](N1)CNCC2CCC2 34a_100015423886_100000763275 [0,0,0,1,1,0|2,0,0]=4 5592 B14R2.4390 O=C1CC[C@H](N1)CNCC2CCC2 2230a_100000738700_100015189358 [0,0,0,1,1,0|2,0,0]=4 5593 B14R2.4390 O=C1CC[C@H](N1)CSCC2CCC2 62a_100000763275_100015189358 [0,0,0,1,1,0|2,0,0]=4 5594 B14R2.4390 O=C1CC[C@H](N1)CSCC2CCC2 62a_100015189358_100000763275 [0,0,0,1,1,0|2,0,0]=4 5595 B14R2.4390 O=C1NCC(O1)CNCC2CCC2 2230a_100000738700_100000181169 [0,0,0,1,1,0|2,0,0]=4 5596 B14R2.4390 O=C1NCC(O1)CNCC2CCC2 34a_100000738700_100000181169 [0,0,0,1,1,0|2,0,0]=4 5597 B14R2.4390 O=C1NCC(O1)COCC2CCC2 34a_100000760304_100000181169 [0,0,0,1,1,0|2,0,0]=4 5598 B14R2.4390 O=C1NCC(O1)COCC2CCC2 34a_100011315639_100000763275 [0,0,0,1,1,0|2,0,0]=4 5599 B14R2.4390 O=C1NCC(O1)CSCC2CCC2 62a_100000181169_100000763275 [0,0,0,1,1,0|2,0,0]=4 5600 B14R2.4390 O=C1NCC(O1)CSCC2CCC2 62a_100000763275_100000181169 [0,0,0,1,1,0|2,0,0]=4 5601 B14R2.4390 O=C1OCC(O1)CNCC2CCC2 34a_100000738700_100000073702 [0,0,0,1,1,0|2,0,0]=4 5602 B14R2.4390 O=C1OCC(O1)COCC2CCC2 34a_100000760304_100000073702 [0,0,0,1,1,0|2,0,0]=4 5603 B14R2.4390 O=C1OCC(O1)CSCC2CCC2 62a_100000073702_100000763275 [0,0,0,1,1,0|2,0,0]=4 5604 B14R2.4390 O=C1OCC(O1)CSCC2CCC2 62a_100000763275_100000073702 [0,0,0,1,1,0|2,0,0]=4 5605 B14R2.170 CCC1CCCN1C2CCCC2=O 2230a_100000754278_100000211823 [0,0,0,1,1,0|1,0,0]=3 5606 B14R2.170 CCC1CCCN1C2CCCC2=O 269982a_100000754278_100000211823 [0,0,0,1,1,0|1,0,0]=3 5607 B14R2.170 CCC1CCCN1C2CCCC2=O 34a_100000754278_100000709159 [0,0,0,1,1,0|1,0,0]=3 5608 B14R2.170 CCC1CCCN1C2CCOC2=O 2230a_100000754278_100000211211 [0,0,0,1,1,0|2,0,0]=4 5609 B14R2.170 CCC1CCCN1C2CCOC2=O 269982a_100000754278_100000211211 [0,0,0,1,1,0|2,0,0]=4 5610 B14R2.170 CCC1CCCN1C2CCOC2=O 34a_100000754278_100000211211 [0,0,0,1,1,0|2,0,0]=4 5611 B14R2.170 O=C1CCCC1N2CCC[C@@H]2CO 2230a_100000745186_100000211823 [0,0,0,1,1,0|2,0,0]=4 5612 B14R2.170 O=C1CCCC1N2CCC[C@@H]2CO 269982a_100000745186_100000211823 [0,0,0,1,1,0|2,0,0]=4 5613 B14R2.170 O=C1CCCC1N2CCC[C@@H]2CO 34a_100000745186_100000709159 [0,0,0,1,1,0|2,0,0]=4 5614 B14R2.296 CC1CCCCN1C2CCCC2=O 2230a_100000211376_100000211823 [0,0,0,1,1,0|1,0,0]=3 5615 B14R2.296 CC1CCCCN1C2CCCC2=O 269982a_100000211376_100000211823 [0,0,0,1,1,0|1,0,0]=3 5616 B14R2.296 CC1CCCCN1C2CCCC2=O 34a_100000211376_100000709159 [0,0,0,1,1,0|1,0,0]=3 5617 B14R2.296 CC1CCCCN1C2CCOC2=O 2230a_100000211376_100000211211 [0,0,0,1,1,0|2,0,0]=4 5618 B14R2.296 CC1CCCCN1C2CCOC2=O 269982a_100000211376_100000211211 [0,0,0,1,1,0|2,0,0]=4 5619 B14R2.296 CC1CCCCN1C2CCOC2=O 34a_100000211376_100000211211 [0,0,0,1,1,0|2,0,0]=4 5620 B14R2.296 C[C@H]1COCCN1C2CCCC2=O 2230a_100009815349_100000211823 [0,0,0,1,1,0|2,0,0]=4 5621 B14R2.296 C[C@H]1COCCN1C2CCCC2=O 269982a_100009815349_100000211823 [0,0,0,1,1,0|2,0,0]=4 5622 B14R2.296 C[C@H]1COCCN1C2CCCC2=O 34a_100009815349_100000709159 [0,0,0,1,1,0|2,0,0]=4 5623 B14R2.309 CC1CCCC1OC2CCCC2=O 34a_100011216460_100000709159 [0,0,0,1,1,0|1,0,0]=3 5624 B14R2.309 CC1CCCC1OC2CCCC2=O 7a_100011216460_100000211823 [0,0,0,1,1,0|1,0,0]=3 5625 B14R2.309 CC1CCCC1OC2CCOC2=O 34a_100011216460_100000211211 [0,0,0,1,1,0|2,0,0]=4 5626 B14R2.309 CC1CCCC1OC2CCOC2=O 7a_100011216460_100000211211 [0,0,0,1,1,0|2,0,0]=4 5627 B14R2.309 C[C@@H]1CCCN1CN2CCCC2=O 269982a_100015189458_100000026320 [0,0,0,1,1,0|2,0,0]=4 5628 B14R2.309 C[C@@H]1CNC[C@@H]1OC2CCCC2=O 34a_200015306588_100000709159 [0,0,0,1,1,0|2,0,0]=4 5629 B14R2.309 C[C@H]1CCCN1CN2CCCC2=O 269982a_100020605311_100000026320 [0,0,0,1,1,0|2,0,0]=4 5630 B14R2.309 N[C@H]1CCC[C@@H]1OC2CCCC2=O 34a_100000748460_100000709159 [0,0,0,1,1,0|2,0,0]=4 5631 B14R2.309 O=C1CCCC1O[C@@H]2CCC[C@H]2Cl 34a_200016002552_100000709159 [0,0,0,1,1,0|2,0,0]=4 5632 B14R2.309 O=C1CCCC1S[C@@H]2CCC[C@H]2O 62a_100000211823_200016002552 [0,0,0,1,1,0|2,0,0]=4 5633 B14R2.309 O=C1CCCC1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000211823 [0,0,0,1,1,0|2,0,0]=4 5634 B14R2.319 CC1CCN1CCN2CCCC2=O 269982a_100000755817_100000739059 [0,0,0,1,1,0|2,0,0]=4 5635 B14R2.319 CC1CCN1CCN2CCCC2=O 34a_100000755817_100000739059 [0,0,0,1,1,0|2,0,0]=4 5636 B14R2.384 O=C1CCCC1NCC2CCCC2 2230a_100000737975_100000211823 [0,0,0,1,1,0|1,0,0]=3 5637 B14R2.384 O=C1CCCC1NCC2CCCC2 34a_100000737975_100000709159 [0,0,0,1,1,0|1,0,0]=3 5638 B14R2.384 O=C1CCCC1NCC2CCOC2 2230a_100000737293_100000211823 [0,0,0,1,1,0|2,0,0]=4 5639 B14R2.384 O=C1CCCC1NCC2CCOC2 34a_100000737293_100000709159 [0,0,0,1,1,0|2,0,0]=4 5640 B14R2.384 O=C1CCCC1NC[C@@H]2CCCO2 2230a_100020590478_100000211823 [0,0,0,1,1,0|2,0,0]=4 5641 B14R2.384 O=C1CCCC1NC[C@@H]2CCCO2 34a_100020590478_100000709159 [0,0,0,1,1,0|2,0,0]=4 5642 B14R2.384 O=C1CCCC1OCC2CCCC2 34a_100000742336_100000709159 [0,0,0,1,1,0|1,0,0]=3 5643 B14R2.384 O=C1CCCC1OCC2CCCC2 34a_200000719330_100000740388 [0,0,0,1,1,0|1,0,0]=3 5644 B14R2.384 O=C1CCCC1OCC2CCCC2 7a_100000742336_100000211823 [0,0,0,1,1,0|1,0,0]=3 5645 B14R2.384 O=C1CCCC1OCC2CCCO2 34a_100000210270_100000709159 [0,0,0,1,1,0|2,0,0]=4 5646 B14R2.384 O=C1CCCC1OCC2CCCO2 7a_100000210270_100000211823 [0,0,0,1,1,0|2,0,0]=4 5647 B14R2.384 O=C1CCCC1OCC2CCNC2 34a_100000748654_100000709159 [0,0,0,1,1,0|2,0,0]=4 5648 B14R2.384 O=C1CCCC1OCC2CCOC2 34a_100000740260_100000709159 [0,0,0,1,1,0|2,0,0]=4 5649 B14R2.384 O=C1CCCC1OCC2CCOC2 34a_200000719330_100011261433 [0,0,0,1,1,0|2,0,0]=4 5650 B14R2.384 O=C1CCCC1OC[C@H]2CCCN2 34a_100000745186_100000709159 [0,0,0,1,1,0|2,0,0]=4 5651 B14R2.384 O=C1CCCC1SCC2CCCC2 62a_100000211823_100000740388 [0,0,0,1,1,0|1,0,0]=3 5652 B14R2.384 O=C1CCCC1SCC2CCCC2 62a_100000740388_100000211823 [0,0,0,1,1,0|1,0,0]=3 5653 B14R2.384 O=C1CCCC1SCC2CCCO2 62a_100000203698_100000211823 [0,0,0,1,1,0|2,0,0]=4 5654 B14R2.384 O=C1CCCC1SCC2CCCO2 62a_100000211823_100000203698 [0,0,0,1,1,0|2,0,0]=4 5655 B14R2.384 O=C1CCCC1SCC2CCOC2 62a_100000211823_100000702531 [0,0,0,1,1,0|2,0,0]=4 5656 B14R2.384 O=C1CCCC1SCC2CCOC2 62a_100000702531_100000211823 [0,0,0,1,1,0|2,0,0]=4 5657 B14R2.384 O=C1CCCN1CCN2CCCC2 2230a_100000188435_100000739059 [0,0,0,1,1,0|2,0,0]=4 5658 B14R2.384 O=C1CCCN1CCN2CCCC2 269982a_100000188435_100000739059 [0,0,0,1,1,0|2,0,0]=4 5659 B14R2.384 O=C1CCCN1CSC2CCCC2 62a_100000026320_100000179811 [0,0,0,1,1,0|2,0,0]=4 5660 B14R2.384 O=C1CCCN1CSC2CCCC2 62a_100011217020_100000026320 [0,0,0,1,1,0|2,0,0]=4 5661 B14R2.384 O=C1NCCC1COC2CCCC2 34a_100000133458_100000179811 [0,0,0,1,1,0|2,0,0]=4 5662 B14R2.384 O=C1NCCC1NCC2CCCC2 2230a_100016995588_100000740388 [0,0,0,1,1,0|2,0,0]=4 5663 B14R2.384 O=C1NCCC1NCC2CCCC2 34a_100016995588_100000740388 [0,0,0,1,1,0|2,0,0]=4 5664 B14R2.384 O=C1NCC[C@@H]1OCC2CCCC2 34a_100000688343_100000740388 [0,0,0,1,1,0|2,0,0]=4 5665 B14R2.384 O=C1OCCC1NCC2CCCC2 2230a_100000737975_100000211211 [0,0,0,1,1,0|2,0,0]=4 5666 B14R2.384 O=C1OCCC1NCC2CCCC2 34a_100000737975_100000211211 [0,0,0,1,1,0|2,0,0]=4 5667 B14R2.384 O=C1OCCC1OCC2CCCC2 34a_100000742336_100000211211 [0,0,0,1,1,0|2,0,0]=4 5668 B14R2.384 O=C1OCCC1OCC2CCCC2 7a_100000742336_100000211211 [0,0,0,1,1,0|2,0,0]=4 5669 B14R2.384 O=C1OCCC1SCC2CCCC2 62a_100000211211_100000740388 [0,0,0,1,1,0|2,0,0]=4 5670 B14R2.384 O=C1OCCC1SCC2CCCC2 62a_100000740388_100000211211 [0,0,0,1,1,0|2,0,0]=4 5671 B14R2.492 COCC1CCN1C2CCCC2=O 2230a_100015195929_100000211823 [0,0,0,1,1,0|2,0,0]=4 5672 B14R2.492 COCC1CCN1C2CCCC2=O 269982a_100015195929_100000211823 [0,0,0,1,1,0|2,0,0]=4 5673 B14R2.492 COCC1CCN1C2CCCC2=O 34a_100015195929_100000709159 [0,0,0,1,1,0|2,0,0]=4 5674 B14R2.4734 O=C1CCCC1OCCCC2CO2 34a_200000719330_100000733510 [0,0,0,1,1,0|2,0,0]=4 5675 B14R2.4734 O=C1CCCC1OCCNC2CC2 34a_100000738766_100000709159 [0,0,0,1,1,0|2,0,0]=4 5676 B14R2.4734 O=C1CCCC1SCCCC2CO2 62a_100000211823_100000733510 [0,0,0,1,1,0|2,0,0]=4 5677 B14R2.4734 O=C1CCCC1SCCCC2CO2 62a_100000733510_100000211823 [0,0,0,1,1,0|2,0,0]=4 5678 B14R2.4734 O=C1CCCN1CCCNC2CC2 34a_100000210347_100000211595 [0,0,0,1,1,0|2,0,0]=4 5679 B14R2.4734 O=C1CCCN1CCCOC2CC2 34a_100011216539_100000211595 [0,0,0,1,1,0|2,0,0]=4 5680 B14R2.4734 O=C1CCCN1CCNCC2CC2 2230a_100000735609_100000739059 [0,0,0,1,1,0|2,0,0]=4 5681 B14R2.4734 O=C1CCCN1CCNCC2CC2 2230a_100011200922_100000742324 [0,0,0,1,1,0|2,0,0]=4 5682 B14R2.4734 O=C1CCCN1CCNCC2CC2 269862a_100011200922_100000741477 [0,0,0,1,1,0|2,0,0]=4 5683 B14R2.4734 O=C1CCCN1CCNCC2CC2 34a_100000735609_100000739059 [0,0,0,1,1,0|2,0,0]=4 5684 B14R2.4734 O=C1CCCN1CCOCC2CC2 34a_100000211209_100000742324 [0,0,0,1,1,0|2,0,0]=4 5685 B14R2.4734 O=C1CCCN1CCOCC2CC2 34a_100000211283_100000739059 [0,0,0,1,1,0|2,0,0]=4 5686 B14R2.4734 O=C1CCCN1CCOCC2CC2 7a_100000211209_100000742324 [0,0,0,1,1,0|2,0,0]=4 5687 B14R2.4734 O=C1CCCN1CCSCC2CC2 62a_100000739059_100000742324 [0,0,0,1,1,0|2,0,0]=4 5688 B14R2.4734 O=C1CCCN1CCSCC2CC2 62a_100000756562_100000739059 [0,0,0,1,1,0|2,0,0]=4 5689 B14R2.4734 O=C1CCCN1CSCCC2CC2 62a_100000026320_100000764125 [0,0,0,1,1,0|2,0,0]=4 5690 B14R2.4734 O=C1CCCN1CSCCC2CC2 62a_100000764125_100000026320 [0,0,0,1,1,0|2,0,0]=4 5691 B14R2.4734 O=C1NCCC1COCCC2CC2 34a_100000133458_100000694398 [0,0,0,1,1,0|2,0,0]=4 5692 B14R2.5202 O=C1CCCC1N2CCCCCC2 2230a_100000185865_100000211823 [0,0,0,1,1,0|1,0,0]=3 5693 B14R2.5202 O=C1CCCC1N2CCCCCC2 269982a_100000185865_100000211823 [0,0,0,1,1,0|1,0,0]=3 5694 B14R2.5202 O=C1CCCC1N2CCCCCC2 34a_100000185865_100000709159 [0,0,0,1,1,0|1,0,0]=3 5695 B14R2.5202 O=C1CCCC1N2CCCOCC2 2230a_100000685342_100000211823 [0,0,0,1,1,0|2,0,0]=4 5696 B14R2.5202 O=C1CCCC1N2CCCOCC2 269982a_100000685342_100000211823 [0,0,0,1,1,0|2,0,0]=4 5697 B14R2.5202 O=C1CCCC1N2CCCOCC2 34a_100000685342_100000709159 [0,0,0,1,1,0|2,0,0]=4 5698 B14R2.5202 O=C1OCCC1N2CCCCCC2 2230a_100000185865_100000211211 [0,0,0,1,1,0|2,0,0]=4 5699 B14R2.5202 O=C1OCCC1N2CCCCCC2 269982a_100000185865_100000211211 [0,0,0,1,1,0|2,0,0]=4 5700 B14R2.5202 O=C1OCCC1N2CCCCCC2 34a_100000185865_100000211211 [0,0,0,1,1,0|2,0,0]=4 5701 B14R2.5216 O=C1CCCC1OCCC2COC2 34a_100009855314_100000709159 [0,0,0,1,1,0|2,0,0]=4 5702 B14R2.5216 O=C1CCCN1CCNC2CCC2 2230a_100000749019_100000739059 [0,0,0,1,1,0|2,0,0]=4 5703 B14R2.5216 O=C1CCCN1CCNC2CCC2 270004a_100011200922_100000241760 [0,0,0,1,1,0|2,0,0]=4 5704 B14R2.5216 O=C1CCCN1CCNC2CCC2 34a_100000749019_100000739059 [0,0,0,1,1,0|2,0,0]=4 5705 B14R2.5216 O=C1CCCN1CCOC2CCC2 34a_100000211209_100000749161 [0,0,0,1,1,0|2,0,0]=4 5706 B14R2.5216 O=C1CCCN1CCOC2CCC2 34a_100000748187_100000739059 [0,0,0,1,1,0|2,0,0]=4 5707 B14R2.5216 O=C1CCCN1CCSC2CCC2 62a_100000739059_100000749161 [0,0,0,1,1,0|2,0,0]=4 5708 B14R2.5216 O=C1CCCN1CSCC2CCC2 62a_100000026320_100000763275 [0,0,0,1,1,0|2,0,0]=4 5709 B14R2.5216 O=C1CCCN1CSCC2CCC2 62a_100000763275_100000026320 [0,0,0,1,1,0|2,0,0]=4 5710 B14R2.5216 O=C1NCCC1COCC2CCC2 34a_100000133458_100000763275 [0,0,0,1,1,0|2,0,0]=4 5711 B16R2.3253 O=C1CN(CCCN1)CC2CCCCC2 2230a_100015190381_100000211423 [0,0,0,1,0,1|2,0,0]=4 5712 B16R2.8589 CCC1CCCC1N2CCCNC(=O)C2 270004a_100015190381_100000749056 [0,0,0,1,0,1|2,0,0]=4 5713 B16R2.12141 O=C1CN(CCCN1)CCC2CCCC2 2230a_100015190381_100000760354 [0,0,0,1,0,1|2,0,0]=4 5714 B16R2.14422 CC1CCCCC1N2CCCNC(=O)C2 270004a_100015190381_100000210921 [0,0,0,1,0,1|2,0,0]=4 5715 B16R2.93905 O=C1CN(CCCN1)C2CCCCCC2 270004a_100015190381_100000210131 [0,0,0,1,0,1|2,0,0]=4 5716 B16R2.2925 CN1C(=O)CCCC1CNC2CCCC2 2230a_200010383782_100000179811 [0,1,0,1,0,0|2,0,0]=4 5717 B16R2.2925 CN1C(=O)CCCC1CNC2CCCC2 270004a_200010383782_100000210133 [0,1,0,1,0,0|2,0,0]=4 5718 B16R2.2925 CN1C(=O)CCCC1CNC2CCCC2 34a_200010383782_100000179811 [0,1,0,1,0,0|2,0,0]=4 5719 B16R2.11948 CN1C(=O)CCCC1CNCCC2CC2 2230a_200010383782_100000694398 [0,1,0,1,0,0|2,0,0]=4 5720 B16R2.11948 CN1C(=O)CCCC1CNCCC2CC2 34a_200010383782_100000694398 [0,1,0,1,0,0|2,0,0]=4 5721 B16R2.11961 CN1C(=O)CCCC1CNCC2CCC2 2230a_200010383782_100000763275 [0,1,0,1,0,0|2,0,0]=4 5722 B16R2.11961 CN1C(=O)CCCC1CNCC2CCC2 269862a_200010383782_100000753134 [0,1,0,1,0,0|2,0,0]=4 5723 B16R2.11961 CN1C(=O)CCCC1CNCC2CCC2 34a_200010383782_100000763275 [0,1,0,1,0,0|2,0,0]=4 5724 B16R2.236 O=C1CCC[C@@H](N1)C(=O)C2CCCCC2 1458a_100000705292_100000210327 [0,1,0,1,0,0|1,0,1]=4 5725 B16R2.243 O=C1CCC[C@@H](N1)C(=O)CC2CCCC2 1458a_100000705292_100000740388 [0,1,0,1,0,0|1,0,1]=4 5726 B16R2.168 CCC1CCCC1NC2CCNC(=O)C2 269862a_100016994916_100000749056 [0,1,0,1,0,0|2,0,0]=4 5727 B16R2.252 CC1=CC(CCC1)OCC2CCCCC2 34a_100011218613_100000211423 [0,1,0,1,0,0|2,0,0]=4 5728 B16R2.252 O=C1CC(CCN1)COC2CCCCC2 34a_100009886756_100000210327 [0,1,0,1,0,0|2,0,0]=4 5729 B16R2.252 O=C1CC(CCN1)NCC2CCCCC2 2230a_100016994916_100000211423 [0,1,0,1,0,0|2,0,0]=4 5730 B16R2.252 O=C1CC(CCN1)NCC2CCCCC2 269862a_100016994916_100000211278 [0,1,0,1,0,0|2,0,0]=4 5731 B16R2.252 O=C1CC(CCN1)NCC2CCCCC2 34a_100016994916_100000211423 [0,1,0,1,0,0|2,0,0]=4 5732 B16R2.252 O=C1CCCC(C1)OCC2CCCCC2 34a_100012613340_100000211423 [0,1,0,1,0,0|1,0,0]=3 5733 B16R2.252 O=C1CCCC(C1)OCC2CCCCO2 34a_100012613340_100000211543 [0,1,0,1,0,0|2,0,0]=4 5734 B16R2.252 O=C1CCCC(C1)OCC2CCCOC2 34a_100012613340_100000741521 [0,1,0,1,0,0|2,0,0]=4 5735 B16R2.252 O=C1CCCC(C1)OCC2CCOCC2 34a_100012613340_100000754603 [0,1,0,1,0,0|2,0,0]=4 5736 B16R2.252 O=C1CCCC(N1)COC2CCCCC2 34a_200000102386_100000210327 [0,1,0,1,0,0|1,0,0]=3 5737 B16R2.252 O=C1CCCC(N1)COC2CCCOC2 34a_200000102386_100000693364 [0,1,0,1,0,0|2,0,0]=4 5738 B16R2.252 O=C1CCCC(N1)COC2CCSCC2 34a_200000102386_100000069128 [0,1,0,1,0,0|2,0,0]=4 5739 B16R2.252 O=C1COCC(N1)COC2CCCCC2 34a_200000101122_100000210327 [0,1,0,1,0,0|2,0,0]=4 5740 B16R2.252 O=C1C[C@@H](CCN1)OCC2CCCCC2 34a_100015189427_100000211423 [0,1,0,1,0,0|2,0,0]=4 5741 B16R2.255 CC1=CC(CCC1)OCCC2CCCC2 34a_100011218613_100000760354 [0,1,0,1,0,0|2,0,0]=4 5742 B16R2.255 O=C1CC(CCN1)COCC2CCCC2 34a_100009886756_100000740388 [0,1,0,1,0,0|2,0,0]=4 5743 B16R2.255 O=C1CC(CCN1)NCCC2CCCC2 2230a_100016994916_100000760354 [0,1,0,1,0,0|2,0,0]=4 5744 B16R2.255 O=C1CC(CCN1)NCCC2CCCC2 34a_100016994916_100000760354 [0,1,0,1,0,0|2,0,0]=4 5745 B16R2.255 O=C1CCCC(C1)OCCC2CCCC2 34a_100012613340_100000760354 [0,1,0,1,0,0|1,0,0]=3 5746 B16R2.255 O=C1CCCC(N1)COCC2CCCC2 34a_200000102386_100000740388 [0,1,0,1,0,0|1,0,0]=3 5747 B16R2.255 O=C1CCCC(N1)COCC2CCOC2 34a_200000102386_100011261433 [0,1,0,1,0,0|2,0,0]=4 5748 B16R2.255 O=C1COCC(N1)COCC2CCCC2 34a_200000101122_100000740388 [0,1,0,1,0,0|2,0,0]=4 5749 B16R2.255 O=C1C[C@@H](CCN1)OCCC2CCCC2 34a_100015189427_100000760354 [0,1,0,1,0,0|2,0,0]=4 5750 B16R2.2923 CC1CCCCC1NC2CCNC(=O)C2 269862a_100016994916_100000210921 [0,1,0,1,0,0|2,0,0]=4 5751 B16R2.2923 O=C1CCCC(C1)OC2CCCCC2F 34a_100012613340_100015423560 [0,1,0,1,0,0|2,0,0]=4 5752 B16R2.2923 O=C1CCCC(C1)OC2CCCCC2O 34a_100012613340_100000038908 [0,1,0,1,0,0|2,0,0]=4 5753 B16R2.11913 O=C1CCCC(N1)COCCCC2CO2 34a_200000102386_100000733510 [0,1,0,1,0,0|2,0,0]=4 5754 B16R2.11928 CC1=CC(CCC1)OC2CCCCCC2 34a_100011218613_100011217769 [0,1,0,1,0,0|2,0,0]=4 5755 B16R2.11928 O=C1CC(CCN1)NC2CCCCCC2 34a_100016994916_100011217769 [0,1,0,1,0,0|2,0,0]=4 5756 B16R2.11928 O=C1CCCC(C1)OC2CCCCCC2 34a_100012613340_100011217769 [0,1,0,1,0,0|1,0,0]=3 5757 B16R2.11928 O=C1C[C@@H](CCN1)OC2CCCCCC2 34a_100015189427_100011217769 [0,1,0,1,0,0|2,0,0]=4 5758 B16R2.136630 CC1(CCC1)COCC2CCCC(=O)N2 34a_200000102386_100000726658 [0,1,0,1,0,0|2,0,0]=4 5759 B16R2.131 CC1CCC(CC1)OC2CCCC(=O)C2 34a_100012613340_200011216234 [0,1,0,1,0,0|2,0,0]=4 5760 B12R0.201 CCCCCCCC(CC)N(C)C 270004a_100102631434_200011217162 [0,0,1,0,1,0|2,0,0]=4 5761 B12R0.201 CCCCCCCN(CC)C(=O)C 11a_100000228213_100015343762 [0,0,1,0,1,0|1,0,0]=3 5762 B12R0.201 CCCCCCCN(CC)C(=O)C 1626a_100000228213_100015343762 [0,0,1,0,1,0|1,0,0]=3 5763 B12R0.201 CCCCCCCN(CC)C(=O)C 240690a_100000228213_100015343762 [0,0,1,0,1,0|1,0,0]=3 5764 B12R0.201 CCCCCCCN(CC)C(=O)C 527a_100000228213_100103153847 [0,0,1,0,1,0|1,0,0]=3 5765 B12R0.201 CCCCCCNC(CC)C(=O)N 2230a_100000210581_100000750255 [0,0,1,0,1,0|2,0,0]=4 5766 B12R0.201 CCCCCCNC(CC)C(=O)N 2230a_100000733705_100000210314 [0,0,1,0,1,0|2,0,0]=4 5767 B12R0.201 CCCCCCNC(CC)C(=O)N 34a_100000733705_100000210314 [0,0,1,0,1,0|2,0,0]=4 5768 B12R0.201 CCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210757 [0,0,1,0,1,0|2,0,0]=4 5769 B12R0.201 CCCCCCOC(CC)C(=O)N 34a_100000210259_100000750255 [0,0,1,0,1,0|2,0,0]=4 5770 B12R0.201 CCCCCCOC(CC)C(=O)N 7a_100000210259_100000750255 [0,0,1,0,1,0|2,0,0]=4 5771 B12R0.201 CCCCCCSC(CC)C(=O)N 62a_100000210314_100000750255 [0,0,1,0,1,0|2,0,0]=4 5772 B12R0.201 CCCCCCSC(CC)C(=O)N 62a_100000750255_100000210757 [0,0,1,0,1,0|2,0,0]=4 5773 B12R0.49 C#CC(=O)C(C)CCCCCCC 1458a_100000211873_200011218727 [0,0,1,0,1,0|0,0,2]=4 5774 B12R0.49 C=CC(=O)C(C)CCCCCCC 1458a_100000185746_200011218727 [0,0,1,0,1,0|0,0,2]=4 5775 B12R0.49 CCC(=O)C(C)NCCCCCO 2230a_100000762737_100000742827 [0,0,1,0,1,0|2,0,0]=4 5776 B12R0.49 CCC(=O)C(C)OCCCCCBr 7a_100000746331_100000742827 [0,0,1,0,1,0|2,0,0]=4 5777 B12R0.49 CCC(=O)C(C)OCCCCCCl 7a_100000746330_100000742827 [0,0,1,0,1,0|2,0,0]=4 5778 B12R0.49 CCC(=O)C(C)OCCCCCI 7a_200012148887_100000742827 [0,0,1,0,1,0|2,0,0]=4 5779 B12R0.49 CCC(=O)C(C)OCCCCSC 7a_100011217163_100000742827 [0,0,1,0,1,0|2,0,0]=4 5780 B12R0.49 CCC(=O)C(C)SCCCCCF 62a_100000729378_100000742827 [0,0,1,0,1,0|2,0,0]=4 5781 B12R0.49 CCC(=O)C(C)SCCCCCF 62a_100000742827_100000729378 [0,0,1,0,1,0|2,0,0]=4 5782 B12R0.49 CCC(=O)C(C)SCCCCCO 62a_100000742827_100000746330 [0,0,1,0,1,0|2,0,0]=4 5783 B12R0.49 CCC(=O)C(C)SCCCCCO 62a_100000746330_100000742827 [0,0,1,0,1,0|2,0,0]=4 5784 B12R0.49 CCC(=O)C(C)SCCCCOC 62a_100000730899_100000742827 [0,0,1,0,1,0|2,0,0]=4 5785 B12R0.49 CCC(=O)C(C)SCCCCOC 62a_100000742827_100000730899 [0,0,1,0,1,0|2,0,0]=4 5786 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,0,1,0,1,0|0,0,0]=2 5787 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,0,1,0,1,0|1,0,0]=3 5788 B12R0.49 CCCCCCCC(C)N(C)CC 2230a_100000225621_200011218727 [0,0,1,0,1,0|2,0,0]=4 5789 B12R0.49 CCCCCCCC(C)N(C)CC 269982a_100000225621_200011218727 [0,0,1,0,1,0|2,0,0]=4 5790 B12R0.49 CCCCCCCN(C)C(=O)CC 11a_100000228206_100000210414 [0,0,1,0,1,0|1,0,0]=3 5791 B12R0.49 CCCCCCCN(C)C(=O)CC 1626a_100000228206_100000210414 [0,0,1,0,1,0|1,0,0]=3 5792 B12R0.49 CCCCCCCN(C)C(=O)CC 240690a_100000228206_100000210414 [0,0,1,0,1,0|1,0,0]=3 5793 B12R0.49 CCCCCCCN(C)C(=O)CC 527a_100000228206_100000210414 [0,0,1,0,1,0|1,0,0]=3 5794 B12R0.49 CCCCCCCN(C)C(=O)CO 240690a_100000228206_100000210174 [0,0,1,0,1,0|2,0,0]=4 5795 B12R0.49 CCCCCCCN(C)C(=O)CO 527a_100000228206_100000210174 [0,0,1,0,1,0|2,0,0]=4 5796 B12R0.49 CCCCCCCN(C)C(=O)NC 2708a_100102657272_100000228206 [0,0,1,0,1,0|2,0,0]=4 5797 B12R0.49 CCCCCCCN(C)C(=O)NC 273464a_100102657272_100000228206 [0,0,1,0,1,0|2,0,0]=4 5798 B12R0.49 CCCCCCNC(C)C(=O)CC 2230a_100000210581_100000742827 [0,0,1,0,1,0|1,0,0]=3 5799 B12R0.49 CCCCCCNC(C)C(=O)NC 2230a_100000210581_100000731044 [0,0,1,0,1,0|2,0,0]=4 5800 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,0,1,0,1,0|2,0,0]=4 5801 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210314 [0,0,1,0,1,0|2,0,0]=4 5802 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210314 [0,0,1,0,1,0|2,0,0]=4 5803 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,0,1,0,1,0|1,0,0]=3 5804 B12R0.49 CCCCCCOC(C)C(=O)NC 34a_100000210259_100000731044 [0,0,1,0,1,0|2,0,0]=4 5805 B12R0.49 CCCCCCOC(C)C(=O)NC 7a_100000210259_100000209862 [0,0,1,0,1,0|2,0,0]=4 5806 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,0,1,0,1,0|2,0,0]=4 5807 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,0,1,0,1,0|2,0,0]=4 5808 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,0,1,0,1,0|2,0,0]=4 5809 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000210314_100000742827 [0,0,1,0,1,0|1,0,0]=3 5810 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000742827_100000210757 [0,0,1,0,1,0|1,0,0]=3 5811 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000209862_100000210757 [0,0,1,0,1,0|2,0,0]=4 5812 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000210314_100000731044 [0,0,1,0,1,0|2,0,0]=4 5813 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,0,1,0,1,0|2,0,0]=4 5814 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,0,1,0,1,0|2,0,0]=4 5815 B12R0.49 CCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210326 [0,0,1,0,1,0|2,0,0]=4 5816 B12R0.49 CCCCCNCC(C)C(=O)NC 34a_100015187722_100000718602 [0,0,1,0,1,0|2,0,0]=4 5817 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,0,1,0,1,0|2,0,0]=4 5818 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,0,1,0,1,0|2,0,0]=4 5819 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,0,1,0,1,0|2,0,0]=4 5820 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [0,0,1,0,1,0|2,0,0]=4 5821 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [0,0,1,0,1,0|2,0,0]=4 5822 B12R0.49 CCCCNCCC(C)C(=O)OC 2230a_100000102301_100000034942 [0,0,1,0,1,0|2,0,0]=4 5823 B12R0.49 CCCCNCCC(C)C(=O)OC 7a_106832991798_100000034942 [0,0,1,0,1,0|2,0,0]=4 5824 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,0,1,0,1,0|2,0,0]=4 5825 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,0,1,0,1,0|2,0,0]=4 5826 B12R0.49 CCCCOCSC(C)C(=O)CC 62a_100000742827_100011995733 [0,0,1,0,1,0|2,0,0]=4 5827 B12R0.49 CCCCOCSC(C)C(=O)CC 62a_100011995733_100000742827 [0,0,1,0,1,0|2,0,0]=4 5828 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000034942_100000210210 [0,0,1,0,1,0|2,0,0]=4 5829 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000210211_100000034942 [0,0,1,0,1,0|2,0,0]=4 5830 B12R0.49 CCCOCCNC(C)C(=O)CC 2230a_100161115042_100000742827 [0,0,1,0,1,0|2,0,0]=4 5831 B12R0.49 CCCOCCOC(C)C(=O)CC 7a_100000752267_100000742827 [0,0,1,0,1,0|2,0,0]=4 5832 B12R0.49 CCCOCCSC(C)C(=O)CC 62a_100000742827_100011215938 [0,0,1,0,1,0|2,0,0]=4 5833 B12R0.49 CCCOCCSC(C)C(=O)CC 62a_100011215938_100000742827 [0,0,1,0,1,0|2,0,0]=4 5834 B12R0.49 CCCSCCNC(C)C(=O)CC 2230a_100020603323_100000742827 [0,0,1,0,1,0|2,0,0]=4 5835 B12R0.49 CCCSCCOC(C)C(=O)CC 7a_200000230433_100000742827 [0,0,1,0,1,0|2,0,0]=4 5836 B12R0.49 CCOCCCNC(C)C(=O)CC 2230a_100000210961_100000742827 [0,0,1,0,1,0|2,0,0]=4 5837 B12R0.49 CCOCCCOC(C)C(=O)CC 7a_100000757476_100000742827 [0,0,1,0,1,0|2,0,0]=4 5838 B12R0.49 CCOCCCSC(C)C(=O)CC 62a_100000742827_100012232248 [0,0,1,0,1,0|2,0,0]=4 5839 B12R0.49 CCOCCCSC(C)C(=O)CC 62a_100012232248_100000742827 [0,0,1,0,1,0|2,0,0]=4 5840 B12R0.49 CCSCCCOC(C)C(=O)CC 7a_100011216438_100000742827 [0,0,1,0,1,0|2,0,0]=4 5841 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [1,0,0,0,1,0|2,0,0]=4 5842 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [1,0,0,0,1,0|2,0,0]=4 5843 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [1,0,0,0,1,0|2,0,0]=4 5844 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [1,0,0,0,1,0|2,0,0]=4 5845 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [1,0,0,0,1,0|2,0,0]=4 5846 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [1,0,0,0,1,0|2,0,0]=4 5847 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [1,0,0,0,1,0|2,0,0]=4 5848 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [1,0,0,0,1,0|2,0,0]=4 5849 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [1,0,0,0,1,0|2,0,0]=4 5850 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [1,0,0,0,1,0|2,0,0]=4 5851 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [1,0,0,0,1,0|2,0,0]=4 5852 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [1,0,0,0,1,0|2,0,0]=4 5853 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [1,0,0,0,1,0|2,0,0]=4 5854 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [1,0,0,0,1,0|2,0,0]=4 5855 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [1,0,0,0,1,0|2,0,0]=4 5856 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [1,0,0,0,1,0|2,0,0]=4 5857 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [1,0,0,0,1,0|2,0,0]=4 5858 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [1,0,0,0,1,0|2,0,0]=4 5859 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [1,0,0,0,1,0|2,0,0]=4 5860 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [1,0,0,0,1,0|2,0,0]=4 5861 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [1,0,0,0,1,0|2,0,0]=4 5862 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [1,0,0,0,1,0|1,0,0]=3 5863 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [1,0,0,0,1,0|2,0,0]=4 5864 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [1,0,0,0,1,0|2,0,0]=4 5865 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [1,0,0,0,1,0|2,0,0]=4 5866 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [1,0,0,0,1,0|1,0,0]=3 5867 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [1,0,0,0,1,0|1,0,0]=3 5868 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [1,0,0,0,1,0|1,0,0]=3 5869 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [1,0,0,0,1,0|2,0,0]=4 5870 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [1,0,0,0,1,0|2,0,0]=4 5871 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [1,0,0,0,1,0|2,0,0]=4 5872 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [1,0,0,0,1,0|1,0,0]=3 5873 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [1,0,0,0,1,0|1,0,0]=3 5874 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [1,0,0,0,1,0|2,0,0]=4 5875 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [1,0,0,0,1,0|2,0,0]=4 5876 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [1,0,0,0,1,0|2,0,0]=4 5877 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [1,0,0,0,1,0|2,0,0]=4 5878 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [1,0,0,0,1,0|2,0,0]=4 5879 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [1,0,0,0,1,0|2,0,0]=4 5880 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [1,0,0,0,1,0|2,0,0]=4 5881 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [1,0,0,0,1,0|2,0,0]=4 5882 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [1,0,0,0,1,0|2,0,0]=4 5883 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [1,0,0,0,1,0|2,0,0]=4 5884 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [1,0,0,0,1,0|2,0,0]=4 5885 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [1,0,0,0,1,0|2,0,0]=4 5886 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [1,0,0,0,1,0|2,0,0]=4 5887 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [1,0,0,0,1,0|2,0,0]=4 5888 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [1,0,0,0,1,0|2,0,0]=4 5889 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [1,0,0,0,1,0|2,0,0]=4 5890 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [1,0,0,0,1,0|2,0,0]=4 5891 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [1,0,0,0,1,0|2,0,0]=4 5892 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [1,0,0,0,1,0|2,0,0]=4 5893 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [1,0,0,0,1,0|2,0,0]=4 5894 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [1,0,0,0,1,0|2,0,0]=4 5895 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [1,0,0,0,1,0|2,0,0]=4 5896 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [1,0,0,0,1,0|2,0,0]=4 5897 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [1,0,0,0,1,0|2,0,0]=4 5898 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [1,0,0,0,1,0|2,0,0]=4 5899 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [1,0,0,0,1,0|2,0,0]=4 5900 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [1,0,0,0,1,0|2,0,0]=4 5901 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [1,0,0,0,1,0|2,0,0]=4 5902 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [1,0,0,0,1,0|2,0,0]=4 5903 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [1,0,0,0,1,0|2,0,0]=4 5904 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [1,0,0,0,1,0|2,0,0]=4 5905 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [1,0,0,0,1,0|2,0,0]=4 5906 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [1,0,0,0,1,0|2,0,0]=4 5907 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [1,0,0,0,1,0|2,0,0]=4 5908 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [1,0,0,0,1,0|2,0,0]=4 5909 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [1,0,0,0,1,0|2,0,0]=4 5910 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [1,0,0,0,1,0|2,0,0]=4 5911 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [1,0,0,0,1,0|2,0,0]=4 5912 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [1,0,0,0,1,0|2,0,0]=4 5913 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [1,0,0,0,1,0|2,0,0]=4 5914 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [1,0,0,0,1,0|2,0,0]=4 5915 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [1,0,0,0,1,0|2,0,0]=4 5916 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [1,0,0,0,1,0|2,0,0]=4 5917 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [1,0,0,0,1,0|2,0,0]=4 5918 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [1,0,0,0,1,0|2,0,0]=4 5919 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [1,0,0,0,1,0|2,0,0]=4 5920 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [1,0,0,0,1,0|2,0,0]=4 5921 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [1,0,0,0,1,0|2,0,0]=4 5922 B12R1.372 O=C1CCCC1SCCCCF 62a_100000211823_100000729493 [1,0,0,0,1,0|2,0,0]=4 5923 B12R1.372 O=C1CCCC1SCCCCF 62a_100000729493_100000211823 [1,0,0,0,1,0|2,0,0]=4 5924 B12R1.372 O=C1CCCC1SCCCCO 62a_100000210776_100000211823 [1,0,0,0,1,0|2,0,0]=4 5925 B12R1.372 O=C1CCCC1SCCCCO 62a_100000211823_100000210776 [1,0,0,0,1,0|2,0,0]=4 5926 B12R1.37 CCCCCCCN1CCCC1 2230a_100000188435_100000210681 [1,0,0,0,1,0|1,0,1]=4 5927 B12R1.37 CCCCCCCN1CCCC1 269982a_100000188435_100000210681 [1,0,0,0,1,0|1,0,1]=4 5928 B12R1.37 CCCCCCNC1CCCC1 2230a_100000210581_100000179811 [1,0,0,0,1,0|1,0,1]=4 5929 B12R1.37 CCCCCCNC1CCCC1 2230a_100000211070_100000210314 [1,0,0,0,1,0|1,0,1]=4 5930 B12R1.37 CCCCCCNC1CCCC1 270004a_100000210581_100000210133 [1,0,0,0,1,0|1,0,1]=4 5931 B12R1.37 CCCCCCNC1CCCC1 34a_100000211070_100000210314 [1,0,0,0,1,0|1,0,1]=4 5932 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [1,0,0,0,1,0|1,0,1]=4 5933 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [1,0,0,0,1,0|1,0,1]=4 5934 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [1,0,0,0,1,0|1,0,1]=4 5935 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [1,0,0,0,1,0|1,0,1]=4 5936 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [1,0,0,0,1,0|1,0,0]=3 5937 B12R1.37 CCCCCCSC1CCCC1 62a_100000210314_100000179811 [1,0,0,0,1,0|1,0,1]=4 5938 B12R1.37 CCCCCCSC1CCCC1 62a_100011217020_100000210757 [1,0,0,0,1,0|1,0,1]=4 5939 B12R1.37 CCCCCNCC1CCCC1 2230a_100000209983_100000740388 [1,0,0,0,1,0|1,0,1]=4 5940 B12R1.37 CCCCCNCC1CCCC1 2230a_100000737975_100000210326 [1,0,0,0,1,0|1,0,1]=4 5941 B12R1.37 CCCCCNCC1CCCC1 269862a_100000209983_100000746403 [1,0,0,0,1,0|1,0,1]=4 5942 B12R1.37 CCCCCNCC1CCCC1 34a_100000737975_100000718602 [1,0,0,0,1,0|1,0,1]=4 5943 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [1,0,0,0,1,0|1,0,0]=3 5944 B12R1.37 CCCCCNCC1OCCO1 2230a_100000036311_100000210326 [1,0,0,0,1,0|2,0,0]=4 5945 B12R1.37 CCCCCNCC1OCCO1 2230a_100000209983_100000755774 [1,0,0,0,1,0|2,0,0]=4 5946 B12R1.37 CCCCCNCC1OCCO1 34a_100000036311_100000718602 [1,0,0,0,1,0|2,0,0]=4 5947 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [1,0,0,0,1,0|1,0,0]=3 5948 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [1,0,0,0,1,0|1,0,0]=3 5949 B12R1.37 CCCCCOCC1CCCC1 34a_100000210253_100000740388 [1,0,0,0,1,0|1,0,1]=4 5950 B12R1.37 CCCCCOCC1CCCC1 34a_100000742336_100000718602 [1,0,0,0,1,0|1,0,1]=4 5951 B12R1.37 CCCCCOCC1CCCC1 7a_100000210253_100000740388 [1,0,0,0,1,0|1,0,1]=4 5952 B12R1.37 CCCCCOCC1CCCC1 7a_100000742336_100000210326 [1,0,0,0,1,0|1,0,1]=4 5953 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [1,0,0,0,1,0|1,0,0]=3 5954 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [1,0,0,0,1,0|1,0,0]=3 5955 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [1,0,0,0,1,0|1,0,0]=3 5956 B12R1.37 CCCCCOCC1COCO1 34a_100011216627_100000718602 [1,0,0,0,1,0|2,0,0]=4 5957 B12R1.37 CCCCCOCC1OCCO1 34a_100000087154_100000718602 [1,0,0,0,1,0|2,0,0]=4 5958 B12R1.37 CCCCCOCC1OCCO1 34a_100000210253_100000755774 [1,0,0,0,1,0|2,0,0]=4 5959 B12R1.37 CCCCCOCC1OCCO1 7a_100000210253_100000755774 [1,0,0,0,1,0|2,0,0]=4 5960 B12R1.37 CCCCCOC[C@H]1CCCN1 34a_100000745186_100000718602 [1,0,0,0,1,0|2,0,0]=4 5961 B12R1.37 CCCCCSCC1CCCC1 62a_100000210326_100000740388 [1,0,0,0,1,0|1,0,1]=4 5962 B12R1.37 CCCCCSCC1CCCC1 62a_100000740388_100000210326 [1,0,0,0,1,0|1,0,1]=4 5963 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [1,0,0,0,1,0|1,0,0]=3 5964 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [1,0,0,0,1,0|1,0,0]=3 5965 B12R1.37 CCCCCSCC1OCCO1 62a_100000210326_100000755774 [1,0,0,0,1,0|2,0,0]=4 5966 B12R1.37 CCCCCSCC1OCCO1 62a_100000755774_100000210326 [1,0,0,0,1,0|2,0,0]=4 5967 B12R1.37 CCCCNCCC1CCCC1 2230a_100000102301_100000760354 [1,0,0,0,1,0|1,0,1]=4 5968 B12R1.37 CCCCNCCC1CCCC1 2230a_100000739158_100000210211 [1,0,0,0,1,0|1,0,1]=4 5969 B12R1.37 CCCCNCCC1CCCC1 34a_100000739158_100000210210 [1,0,0,0,1,0|1,0,1]=4 5970 B12R1.37 CCCCNCCC1CCCC1 7a_106832991798_100000760354 [1,0,0,0,1,0|1,0,1]=4 5971 B12R1.37 CCCCNCCC1OCCO1 2230a_100000034215_100000210211 [1,0,0,0,1,0|2,0,0]=4 5972 B12R1.37 CCCCNCCC1OCCO1 2230a_100000102301_100000740749 [1,0,0,0,1,0|2,0,0]=4 5973 B12R1.37 CCCCNCCC1OCCO1 34a_100000034215_100000210210 [1,0,0,0,1,0|2,0,0]=4 5974 B12R1.37 CCCCNCCC1OCCO1 7a_106832991798_100000740749 [1,0,0,0,1,0|2,0,0]=4 5975 B12R1.37 CCCCOCCC1CCCC1 34a_100000210227_100000760354 [1,0,0,0,1,0|1,0,1]=4 5976 B12R1.37 CCCCOCCC1CCCC1 34a_100000749090_100000210210 [1,0,0,0,1,0|1,0,1]=4 5977 B12R1.37 CCCCOCCC1CCCC1 7a_100000210227_100000760354 [1,0,0,0,1,0|1,0,1]=4 5978 B12R1.37 CCCCOCCC1CCCC1 7a_100000749090_100000210211 [1,0,0,0,1,0|1,0,1]=4 5979 B12R1.37 CCCCOCCC1OCCO1 34a_100000210227_100000740749 [1,0,0,0,1,0|2,0,0]=4 5980 B12R1.37 CCCCOCCC1OCCO1 7a_100000210227_100000740749 [1,0,0,0,1,0|2,0,0]=4 5981 B12R1.37 CCCCOCOC1CCCO1 34a_100000085407_100011995733 [1,0,0,0,1,0|2,0,0]=4 5982 B12R1.37 CCCCSCCC1CCCC1 62a_100000210211_100000760354 [1,0,0,0,1,0|1,0,1]=4 5983 B12R1.37 CCCCSCCC1CCCC1 62a_100000760354_100000210210 [1,0,0,0,1,0|1,0,1]=4 5984 B12R1.37 CCCCSCCC1OCCO1 62a_100000210211_100000740749 [1,0,0,0,1,0|2,0,0]=4 5985 B12R1.37 CCCNCCCC1CCCC1 2230a_100000736752_100000210303 [1,0,0,0,1,0|1,0,1]=4 5986 B12R1.37 CCCNCCCC1CCCC1 34a_100000736752_100000210303 [1,0,0,0,1,0|1,0,1]=4 5987 B12R1.37 CCCOCCCC1CCCC1 34a_100000210258_100011713738 [1,0,0,0,1,0|1,0,1]=4 5988 B12R1.37 CCCOCCCC1CCCC1 34a_100011215328_100000210303 [1,0,0,0,1,0|1,0,1]=4 5989 B12R1.37 CCCOCCCC1CCCC1 7a_100011215328_100000210303 [1,0,0,0,1,0|1,0,1]=4 5990 B12R1.37 CCCOCCCC1OCCO1 34a_100000210258_100009861162 [1,0,0,0,1,0|2,0,0]=4 5991 B12R1.37 CCCOCCCC1OCCO1 34a_100009871617_100000210303 [1,0,0,0,1,0|2,0,0]=4 5992 B12R1.37 CCCOCCCC1OCCO1 7a_100009871617_100000210303 [1,0,0,0,1,0|2,0,0]=4 5993 B12R1.37 CCCOCCOC1CCCO1 34a_100000085407_100011215938 [1,0,0,0,1,0|2,0,0]=4 5994 B12R1.37 CCCSCCCC1CCCC1 62a_100000210303_100011713738 [1,0,0,0,1,0|1,0,1]=4 5995 B12R1.37 CCCSCCCC1CCCC1 62a_100011713738_100000210303 [1,0,0,0,1,0|1,0,1]=4 5996 B12R1.37 CCCSCCCC1OCCO1 62a_100000210303_100000042513 [1,0,0,0,1,0|2,0,0]=4 5997 B12R1.37 CCNCCCCC1OCCO1 2230a_100015525214_100000034956 [1,0,0,0,1,0|2,0,0]=4 5998 B12R1.37 CCOCCCCC1OCCO1 34a_100121572206_200009813554 [1,0,0,0,1,0|2,0,0]=4 5999 B12R1.37 CCOCCCOC1CCCO1 34a_100000085407_100012232248 [1,0,0,0,1,0|2,0,0]=4 6000 B12R1.37 CCOCCNCC1CCCO1 2230a_102516460346_100000203698 [1,0,0,0,1,0|2,0,0]=4 6001 B12R1.37 CCOCCNC[C@@H]1CCCO1 2230a_100020590478_100011215890 [1,0,0,0,1,0|2,0,0]=4 6002 B12R1.37 CCOCCNC[C@@H]1CCCO1 34a_100020590478_100000210147 [1,0,0,0,1,0|2,0,0]=4 6003 B12R1.37 CCOCCOCC1CCCO1 34a_100000210270_100000210147 [1,0,0,0,1,0|2,0,0]=4 6004 B12R1.37 CCOCCOCC1CCCO1 7a_100000210136_100000203698 [1,0,0,0,1,0|2,0,0]=4 6005 B12R1.37 CCOCCOCC1CCCO1 7a_100000210270_100011215890 [1,0,0,0,1,0|2,0,0]=4 6006 B12R1.37 CCOCCSCC1CCCO1 62a_100000203698_100011215890 [1,0,0,0,1,0|2,0,0]=4 6007 B12R1.37 CCOCCSCC1CCCO1 62a_100000210147_100000203698 [1,0,0,0,1,0|2,0,0]=4 6008 B12R1.37 CCSCCCCC1OCCO1 62a_100000210202_100000034956 [1,0,0,0,1,0|2,0,0]=4 6009 B12R1.37 CCSCCNCC1CCCO1 2230a_100000106463_100000203698 [1,0,0,0,1,0|2,0,0]=4 6010 B12R1.37 CCSCCNC[C@@H]1CCCO1 2230a_100020590478_100000757381 [1,0,0,0,1,0|2,0,0]=4 6011 B12R1.37 CCSCCNC[C@@H]1CCCO1 34a_100020590478_100000757381 [1,0,0,0,1,0|2,0,0]=4 6012 B12R1.37 CCSCCOCC1CCCO1 34a_100000210270_100000757381 [1,0,0,0,1,0|2,0,0]=4 6013 B12R1.37 CCSCCOCC1CCCO1 7a_100000210270_100000757381 [1,0,0,0,1,0|2,0,0]=4 6014 B12R1.37 CCSCCOCC1CCCO1 7a_100000212035_100000203698 [1,0,0,0,1,0|2,0,0]=4 6015 B12R1.37 CCSCCSCC1CCCO1 62a_100000203698_100000757381 [1,0,0,0,1,0|2,0,0]=4 6016 B12R1.37 CCSCCSCC1CCCO1 62a_100000757381_100000203698 [1,0,0,0,1,0|2,0,0]=4 6017 B12R1.37 COCCCCOC1CCCO1 34a_100000085407_100000755781 [1,0,0,0,1,0|2,0,0]=4 6018 B12R1.37 COCCCCOC1CCCO1 34a_100011018183_200000210301 [1,0,0,0,1,0|2,0,0]=4 6019 B12R1.37 COCCCCOC1CCCO1 7a_100011018183_200000210301 [1,0,0,0,1,0|2,0,0]=4 6020 B12R1.37 COCCCNC[C@@H]1CCCO1 2230a_100020590478_100000740836 [1,0,0,0,1,0|2,0,0]=4 6021 B12R1.37 COCCCNC[C@@H]1CCCO1 34a_100020590478_100000740836 [1,0,0,0,1,0|2,0,0]=4 6022 B12R1.37 COCCCOCC1CCCO1 34a_100000210270_100000740836 [1,0,0,0,1,0|2,0,0]=4 6023 B12R1.37 COCCCOCC1CCCO1 7a_100000210270_100000740836 [1,0,0,0,1,0|2,0,0]=4 6024 B12R1.37 COCCCSCC1CCCO1 62a_100000203698_100000709357 [1,0,0,0,1,0|2,0,0]=4 6025 B12R1.37 COCCCSCC1CCCO1 62a_100000709357_100000203698 [1,0,0,0,1,0|2,0,0]=4 6026 B12R1.37 CSCCCNCC1CCCO1 2230a_100000749238_100000203698 [1,0,0,0,1,0|2,0,0]=4 6027 B12R1.37 CSCCCOCC1CCCO1 7a_100000690336_100000203698 [1,0,0,0,1,0|2,0,0]=4 6028 B12R1.37 ClCCCCOCC1CCCO1 7a_100000210776_100000203698 [1,0,0,0,1,0|2,0,0]=4 6029 B12R1.37 FCCCCCOC1CCCO1 34a_100000085407_100000729378 [1,0,0,0,1,0|2,0,0]=4 6030 B12R1.37 FCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000729493 [1,0,0,0,1,0|2,0,0]=4 6031 B12R1.37 FCCCCNC[C@@H]1CCCO1 34a_100020590478_100000729493 [1,0,0,0,1,0|2,0,0]=4 6032 B12R1.37 FCCCCOCC1CCCO1 34a_100000210270_100000729493 [1,0,0,0,1,0|2,0,0]=4 6033 B12R1.37 FCCCCOCC1CCCO1 7a_100000210270_100000729493 [1,0,0,0,1,0|2,0,0]=4 6034 B12R1.37 FCCCCOCC1CCCO1 7a_100011995726_100000203698 [1,0,0,0,1,0|2,0,0]=4 6035 B12R1.37 FCCCCSCC1CCCO1 62a_100000203698_100000729493 [1,0,0,0,1,0|2,0,0]=4 6036 B12R1.37 FCCCCSCC1CCCO1 62a_100000729493_100000203698 [1,0,0,0,1,0|2,0,0]=4 6037 B12R1.37 OCCCCCOC1CCCO1 34a_100000085407_100000746330 [1,0,0,0,1,0|2,0,0]=4 6038 B12R1.37 OCCCCNCC1CCCO1 2230a_100000750430_100000203698 [1,0,0,0,1,0|2,0,0]=4 6039 B12R1.37 OCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210776 [1,0,0,0,1,0|2,0,0]=4 6040 B12R1.37 OCCCCNC[C@@H]1CCCO1 34a_100020590478_100011216708 [1,0,0,0,1,0|2,0,0]=4 6041 B12R1.37 OCCCCOCC1CCCO1 34a_100000210270_100011216708 [1,0,0,0,1,0|2,0,0]=4 6042 B12R1.37 OCCCCOCC1CCCO1 7a_100000210270_100000210776 [1,0,0,0,1,0|2,0,0]=4 6043 B12R1.37 OCCCCSCC1CCCO1 62a_100000203698_100000210776 [1,0,0,0,1,0|2,0,0]=4 6044 B12R1.37 OCCCCSCC1CCCO1 62a_100000210776_100000203698 [1,0,0,0,1,0|2,0,0]=4 6045 B12R1.37 [13CH3]OCCCCOC1CCCO1 34a_100011018183_200025704644 [1,0,0,0,1,0|2,0,0]=4 6046 B12R1.37 [13CH3]OCCCCOC1CCCO1 7a_100011018183_200025704644 [1,0,0,0,1,0|2,0,0]=4 6047 B12R1.62 CCCCCCSC1CC(=O)C1 62a_100009894365_100000210757 [0,0,0,0,2,0|2,0,0]=4 6048 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [0,0,0,0,2,0|2,0,0]=4 6049 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [0,0,0,0,2,0|2,0,0]=4 6050 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [0,0,0,0,2,0|2,0,0]=4 6051 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [0,0,0,0,2,0|2,0,0]=4 6052 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [0,0,0,0,2,0|2,0,0]=4 6053 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,0,0,0,2,0|1,0,0]=3 6054 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,0,0,0,2,0|1,0,0]=3 6055 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,0,0,0,2,0|1,0,0]=3 6056 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,0,0,0,2,0|1,0,0]=3 6057 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,0,0,0,2,0|1,0,0]=3 6058 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,0,0,0,2,0|1,0,0]=3 6059 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,0,0,0,2,0|1,0,0]=3 6060 B12R1.383 CCCCOCSC1CCC1=O 62a_100009892977_100011995733 [0,0,0,0,2,0|2,0,0]=4 6061 B12R1.383 CCCCOCSC1CCC1=O 62a_100011995733_100009892977 [0,0,0,0,2,0|2,0,0]=4 6062 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,0,0,0,2,0|1,0,0]=3 6063 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,0,0,0,2,0|1,0,0]=3 6064 B12R1.383 CCCOCCNC1CCC1=O 34a_100161115042_100009892977 [0,0,0,0,2,0|2,0,0]=4 6065 B12R1.383 CCCOCCOC1CCC1=O 34a_100000752267_100009892977 [0,0,0,0,2,0|2,0,0]=4 6066 B12R1.383 CCCOCCOC1CCC1=O 7a_100000752267_100009892977 [0,0,0,0,2,0|2,0,0]=4 6067 B12R1.383 CCCOCCSC1CCC1=O 62a_100009892977_100011215938 [0,0,0,0,2,0|2,0,0]=4 6068 B12R1.383 CCCOCCSC1CCC1=O 62a_100011215938_100009892977 [0,0,0,0,2,0|2,0,0]=4 6069 B12R1.383 CCCSCCOC1CCC1=O 34a_200000230433_100009892977 [0,0,0,0,2,0|2,0,0]=4 6070 B12R1.383 CCCSCCOC1CCC1=O 7a_200000230433_100009892977 [0,0,0,0,2,0|2,0,0]=4 6071 B12R1.383 CCOCCCNC1CCC1=O 34a_100000210961_100009892977 [0,0,0,0,2,0|2,0,0]=4 6072 B12R1.383 CCOCCCOC1CCC1=O 34a_100000757476_100009892977 [0,0,0,0,2,0|2,0,0]=4 6073 B12R1.383 CCOCCCOC1CCC1=O 7a_100000757476_100009892977 [0,0,0,0,2,0|2,0,0]=4 6074 B12R1.383 CCOCCCSC1CCC1=O 62a_100009892977_100012232248 [0,0,0,0,2,0|2,0,0]=4 6075 B12R1.383 CCOCCCSC1CCC1=O 62a_100012232248_100009892977 [0,0,0,0,2,0|2,0,0]=4 6076 B12R1.383 CCOCSCCC1CCC1=O 62a_100000739092_200016118888 [0,0,0,0,2,0|2,0,0]=4 6077 B12R1.383 CCOCSCCC1CCC1=O 62a_200016118888_100000739092 [0,0,0,0,2,0|2,0,0]=4 6078 B12R1.383 CCSCCCOC1CCC1=O 34a_100011216438_100009892977 [0,0,0,0,2,0|2,0,0]=4 6079 B12R1.383 CCSCCCOC1CCC1=O 7a_100011216438_100009892977 [0,0,0,0,2,0|2,0,0]=4 6080 B12R1.383 COCCCCOC1CCC1=O 34a_100000740925_100009892977 [0,0,0,0,2,0|2,0,0]=4 6081 B12R1.383 COCCCCSC1CCC1=O 62a_100000730899_100009892977 [0,0,0,0,2,0|2,0,0]=4 6082 B12R1.383 COCCCCSC1CCC1=O 62a_100009892977_100000730899 [0,0,0,0,2,0|2,0,0]=4 6083 B12R1.383 COCCNCCC1CCC1=O 2230a_100000209980_200016118888 [0,0,0,0,2,0|2,0,0]=4 6084 B12R1.383 COCCSCCC1CCC1=O 62a_100000233755_200016118888 [0,0,0,0,2,0|2,0,0]=4 6085 B12R1.383 COCCSCCC1CCC1=O 62a_200016118888_100000233755 [0,0,0,0,2,0|2,0,0]=4 6086 B12R1.383 CSCCCCOC1CCC1=O 34a_100011217163_100009892977 [0,0,0,0,2,0|2,0,0]=4 6087 B12R1.383 CSCCCCOC1CCC1=O 7a_100011217163_100009892977 [0,0,0,0,2,0|2,0,0]=4 6088 B12R1.383 CSCCNCCC1CCC1=O 2230a_100020590264_200016118888 [0,0,0,0,2,0|2,0,0]=4 6089 B12R1.383 CSCCOCCC1CCC1=O 7a_100000230434_200016118888 [0,0,0,0,2,0|2,0,0]=4 6090 B12R1.383 CSCCSCCC1CCC1=O 62a_100000212216_200016118888 [0,0,0,0,2,0|2,0,0]=4 6091 B12R1.383 CSCCSCCC1CCC1=O 62a_200016118888_100000751147 [0,0,0,0,2,0|2,0,0]=4 6092 B12R1.383 NCCCCCOC1CCC1=O 34a_100000762737_100009892977 [0,0,0,0,2,0|2,0,0]=4 6093 B12R1.383 O=C1CCC1CCNCCCF 2230a_100015189416_200016118888 [0,0,0,0,2,0|2,0,0]=4 6094 B12R1.383 O=C1CCC1CCSCCCF 62a_100011934791_200016118888 [0,0,0,0,2,0|2,0,0]=4 6095 B12R1.383 O=C1CCC1CCSCCCF 62a_200016118888_100011934791 [0,0,0,0,2,0|2,0,0]=4 6096 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [0,0,0,0,2,0|2,0,0]=4 6097 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [0,0,0,0,2,0|2,0,0]=4 6098 B12R1.383 O=C1CCC1NCCCCCO 34a_100000762737_100009892977 [0,0,0,0,2,0|2,0,0]=4 6099 B12R1.383 O=C1CCC1OCCCCCBr 34a_100000746331_100009892977 [0,0,0,0,2,0|2,0,0]=4 6100 B12R1.383 O=C1CCC1OCCCCCBr 7a_100000746331_100009892977 [0,0,0,0,2,0|2,0,0]=4 6101 B12R1.383 O=C1CCC1OCCCCCCl 34a_100000746330_100009892977 [0,0,0,0,2,0|2,0,0]=4 6102 B12R1.383 O=C1CCC1OCCCCCCl 7a_100000746330_100009892977 [0,0,0,0,2,0|2,0,0]=4 6103 B12R1.383 O=C1CCC1OCCCCCI 34a_200012148887_100009892977 [0,0,0,0,2,0|2,0,0]=4 6104 B12R1.383 O=C1CCC1OCCCCCI 7a_200012148887_100009892977 [0,0,0,0,2,0|2,0,0]=4 6105 B12R1.383 O=C1CCC1SCCCCCF 62a_100000729378_100009892977 [0,0,0,0,2,0|2,0,0]=4 6106 B12R1.383 O=C1CCC1SCCCCCF 62a_100009892977_100000729378 [0,0,0,0,2,0|2,0,0]=4 6107 B12R1.383 O=C1CCC1SCCCCCO 62a_100000746330_100009892977 [0,0,0,0,2,0|2,0,0]=4 6108 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [0,0,0,0,2,0|2,0,0]=4 6109 B14R0.93 C=C(C)COC(CC)CCCCCCC 34a_200011217053_100000748629 [0,0,1,0,0,1|1,0,0]=3 6110 B14R0.93 C=C(C)COC(CC)CCCCCCC 7a_200011217053_100000748629 [0,0,1,0,0,1|1,0,0]=3 6111 B14R0.93 C=C(F)COC(CC)CCCCCCC 34a_200011217053_100009893438 [0,0,1,0,0,1|1,0,1]=4 6112 B14R0.93 C=C(F)COC(CC)CCCCCCC 7a_200011217053_100000042424 [0,0,1,0,0,1|1,0,1]=4 6113 B14R0.93 CCCCCCCC(=NNC(=O)C)CC 4a_100000189765_200011217162 [0,0,1,0,0,1|1,0,1]=4 6114 B14R0.93 CCCCCCCC(CC)OCC(=O)N 34a_200011217053_100000187820 [0,0,1,0,0,1|1,0,0]=3 6115 B14R0.93 CCCCCCCC(CC)OCC(=O)N 7a_200011217053_100000187820 [0,0,1,0,0,1|1,0,0]=3 6116 B14R0.93 CCCCCCCC(CC)OCC(=O)[O-] 34a_200011217053_100020667443 [0,0,1,0,0,1|1,0,0]=3 6117 B14R0.93 CCCCCCCC(CC)OCC(C)C 34a_200011217053_100000210624 [0,0,1,0,0,1|1,0,1]=4 6118 B14R0.93 CCCCCCCC(CC)OCC(C)C 7a_200011217053_100000210760 [0,0,1,0,0,1|1,0,1]=4 6119 B14R0.93 CCCCCCCC(CC)OCC(C)O 34a_200011217053_100011218427 [0,0,1,0,0,1|0,0,2]=4 6120 B14R0.93 CCCCCCCC(CC)OCC(C)O 7a_200011217053_100011218427 [0,0,1,0,0,1|0,0,2]=4 6121 B14R0.93 CCCCCCCC(CC)OC[C@@H](C)O 34a_200011217053_100009817552 [0,0,1,0,0,1|0,0,2]=4 6122 B14R0.93 CCCCCCCC(CC)OC[C@@H](C)O 7a_200011217053_100009817552 [0,0,1,0,0,1|0,0,2]=4 6123 B14R0.93 CCCCCCCC(CC)OC[N+](=O)[O-] 34a_200011217053_100000761209 [0,0,1,0,0,1|2,0,0]=4 6124 B14R0.93 CCCCCCCN(CC)CCC(=O)C 269982a_100000228213_100000053229 [0,0,1,0,0,1|2,0,0]=4 6125 B14R0.93 CCCCCCCN(CC)COC(=O)C 269982a_100000228213_100000076356 [0,0,1,0,0,1|1,0,0]=3 6126 B14R0.93 CCCCCCOC(CCl)COC(=O)C 7a_200000139349_100000210314 [0,0,1,0,0,1|2,0,0]=4