0 B11R0.140 C#CCCCC(=O)C#CCCC 1458a_200011218047_100000731252 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.140 C#CCCCC(=O)C=CCCC 1458a_100000212230_100000731252 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.140 C#CCCCC(=O)CCCCF 1458a_100000690238_100000729493 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000690238_100000210776 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000695505_100000731252 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.140 C#CCCCC(=O)CCCOC 1458a_100000690238_100000740836 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.140 C#CCCCC(=O)CCCOC 1458a_100000741012_100000731252 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.140 C#CCCCC(=O)CCCSC 1458a_100000173376_100000731252 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000690238_100011215890 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000749530_100000731252 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.140 C#CCCCC(=O)CCSCC 1458a_100000230768_100000731252 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.140 C#CCCCC(=O)CCSCC 1458a_100000690238_100000757381 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.140 C#CCCCC(=O)COCCC 1458a_100000745993_100000731252 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.140 C#CCCCC(=O)CSCCC 1458a_100000217233_100000731252 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.140 C#CCCCC(=O)NCCCC 11a_100000102301_100000690238 [0,0,0,0,0,0|1,0,2]=3 17 B11R0.140 C#CCCCC(=O)NCCCC 1626a_100000102301_100000690238 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.140 C#CCCCC(=O)NCCCC 240690a_100000102301_100000690238 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.140 C#CCCCC(=O)NCCCC 527a_100000102301_100000690238 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.140 C#CCCCC(=O)NCCCF 11a_100015189416_100000690238 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.140 C#CCCCC(=O)NCCCF 1626a_100015189416_100000690238 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.140 C#CCCCC(=O)NCCCF 240690a_100015189416_100000690238 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.140 C#CCCCC(=O)NCCCF 527a_100015189416_100000690238 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.140 C#CCCCC(=O)NCCCO 240690a_100000182051_100000690238 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.140 C#CCCCC(=O)NCCCO 527a_100000182051_100000690238 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.140 C#CCCCC(=O)NCCOC 1626a_100000209980_100000690238 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.140 C#CCCCC(=O)NCCOC 240690a_100000209980_100000690238 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.140 C#CCCCC(=O)NCCOC 527a_100000209980_100000690238 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.140 C#CCCCC(=O)NCCSC 11a_100020590264_100000690238 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.140 C#CCCCC(=O)NCCSC 1626a_100020590264_100000690238 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.140 C#CCCCC(=O)NCCSC 240690a_100020590264_100000690238 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.140 C#CCCCC(=O)NCCSC 527a_100020590264_100000690238 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.140 C#CCCCC(=O)NNCCC 22a_100000740057_100000690238 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.140 C#CCCNC(=O)CCCCC 11a_100000755551_100000212188 [0,0,0,0,0,0|1,0,2]=3 35 B11R0.140 C#CCCNC(=O)CCCCC 1626a_100000755551_100000212188 [0,0,0,0,0,0|1,0,2]=3 36 B11R0.140 C#CCCNC(=O)CCCCC 240690a_100000755551_100000212188 [0,0,0,0,0,0|1,0,2]=3 37 B11R0.140 C#CCCNC(=O)CCCCC 527a_100000755551_100000212188 [0,0,0,0,0,0|1,0,2]=3 38 B11R0.140 C#CCCNC(=O)CCCCO 1626a_100000755551_100000695505 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.140 C#CCCNC(=O)CCCOC 11a_100000755551_100000741012 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.140 C#CCCNC(=O)CCCOC 1626a_100000755551_100000741012 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.140 C#CCCNC(=O)CCCOC 240690a_100000755551_100000741012 [0,0,0,0,0,0|2,0,2]=4 42 B11R0.140 C#CCCNC(=O)CCCOC 527a_100000755551_100000741012 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.140 C#CCCNC(=O)CCCSC 11a_100000755551_100000173376 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.140 C#CCCNC(=O)CCCSC 1626a_100000755551_100000173376 [0,0,0,0,0,0|2,0,2]=4 45 B11R0.140 C#CCCNC(=O)CCCSC 240690a_100000755551_100000173376 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.140 C#CCCNC(=O)CCCSC 527a_100000755551_100000173376 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.140 C#CCCNC(=O)CCOCC 11a_100000755551_100000749530 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.140 C#CCCNC(=O)CCOCC 1626a_100000755551_100000749530 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.140 C#CCCNC(=O)CCOCC 240690a_100000755551_100000749530 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.140 C#CCCNC(=O)CCOCC 527a_100000755551_100000749530 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.140 C#CCCNC(=O)CCSCC 11a_100000755551_100000230768 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.140 C#CCCNC(=O)CCSCC 1626a_100000755551_100000230768 [0,0,0,0,0,0|2,0,2]=4 53 B11R0.140 C#CCCNC(=O)CCSCC 240690a_100000755551_100000230768 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.140 C#CCCNC(=O)CCSCC 527a_100000755551_100000230768 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.140 C#CCCNC(=O)COCCC 11a_100000755551_100000745993 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.140 C#CCCNC(=O)COCCC 1626a_100000755551_100000745993 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.140 C#CCCNC(=O)COCCC 240690a_100000755551_100000745993 [0,0,0,0,0,0|2,0,2]=4 58 B11R0.140 C#CCCNC(=O)COCCC 527a_100000755551_100000745993 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.140 C#CCCNC(=O)CSCCC 11a_100000755551_100000217233 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.140 C#CCCNC(=O)CSCCC 1626a_100000755551_100000217233 [0,0,0,0,0,0|2,0,2]=4 61 B11R0.140 C#CCCNC(=O)CSCCC 240690a_100000755551_100000217233 [0,0,0,0,0,0|2,0,2]=4 62 B11R0.140 C#CCCNC(=O)CSCCC 527a_100000755551_100000217233 [0,0,0,0,0,0|2,0,2]=4 63 B11R0.140 C#CCCNC(=O)NCCCC 2708a_100000102301_100000755551 [0,0,0,0,0,0|2,0,2]=4 64 B11R0.140 C#CCCNC(=O)NCCCC 2708a_100000755551_100000102301 [0,0,0,0,0,0|2,0,2]=4 65 B11R0.140 C#CCCNC(=O)NCCCC 273464a_100000102301_100000755551 [0,0,0,0,0,0|2,0,2]=4 66 B11R0.140 C#CCCNC(=O)NCCCC 273464a_100000755551_100000102301 [0,0,0,0,0,0|2,0,2]=4 67 B11R0.140 C#CCCNC(=O)NCCCC 512a_100000102301_100000755551 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.140 C#CCCNC(=O)NCCCC 512a_100000755551_100000102301 [0,0,0,0,0,0|2,0,2]=4 69 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215631_200011218191 [0,0,0,0,0,0|1,0,3]=4 70 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215632_100000688953 [0,0,0,0,0,0|1,0,3]=4 71 B11R0.140 C#CCCOC(C)CCCCC 7a_100011215632_100000688953 [0,0,0,0,0,0|1,0,3]=4 72 B11R0.140 C#CCNCC(=O)CCCCC 34a_100000212058_200012276598 [0,0,0,0,0,0|2,0,2]=4 73 B11R0.140 C#CCNCC(=O)NCCCC 34a_100000212058_100000182744 [0,0,0,0,0,0|2,0,2]=4 74 B11R0.140 C#CCNCC(=O)OCCCC 34a_100000212058_100000211628 [0,0,0,0,0,0|1,0,2]=3 75 B11R0.140 C#CCNCC(=O)OCCOC 34a_100000212058_200000040189 [0,0,0,0,0,0|2,0,2]=4 76 B11R0.140 C#CCOCC(=O)CCCCC 1458a_100011251226_100000210326 [0,0,0,0,0,0|2,0,2]=4 77 B11R0.140 C#CCOCC(=O)CCCCC 34a_100000210247_200012276598 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.140 C#CCOCC(=O)NCCCC 11a_100000102301_100011251226 [0,0,0,0,0,0|2,0,2]=4 79 B11R0.140 C#CCOCC(=O)NCCCC 1626a_100000102301_100011251226 [0,0,0,0,0,0|2,0,2]=4 80 B11R0.140 C#CCOCC(=O)NCCCC 34a_100000210247_100000182744 [0,0,0,0,0,0|2,0,2]=4 81 B11R0.140 C#CCOCC(=O)NCCCC 527a_100000102301_100011251226 [0,0,0,0,0,0|2,0,2]=4 82 B11R0.140 C#CCOCC(=O)OCCCC 34a_100000210247_100000211628 [0,0,0,0,0,0|1,0,2]=3 83 B11R0.140 C#CCOCC(=O)OCCOC 34a_100000210247_200000040189 [0,0,0,0,0,0|2,0,2]=4 84 B11R0.140 C#CCSCC(=O)CCCCC 62a_100000038162_200012276598 [0,0,0,0,0,0|2,0,2]=4 85 B11R0.140 C#CCSCC(=O)NCCCC 62a_100000038162_100000182744 [0,0,0,0,0,0|2,0,2]=4 86 B11R0.140 C#CCSCC(=O)OCCCC 62a_100000038162_100000211628 [0,0,0,0,0,0|1,0,2]=3 87 B11R0.140 C#CCSCC(=O)OCCOC 62a_100000038162_200000040189 [0,0,0,0,0,0|2,0,2]=4 88 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [0,0,0,0,0,0|1,0,3]=4 89 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [0,0,0,0,0,0|1,0,3]=4 90 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [0,0,0,0,0,0|1,0,3]=4 91 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [0,0,0,0,0,0|1,0,3]=4 92 B11R0.140 C=CCCCC(=O)C#CCCC 1458a_200011218047_100000757094 [0,0,0,0,0,0|1,0,3]=4 93 B11R0.140 C=CCCCC(=O)C=CCCC 1458a_100000212230_100000757094 [0,0,0,0,0,0|1,0,3]=4 94 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,0,0,0,0,0|1,0,2]=3 95 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,0,0,0,0,0|1,0,2]=3 96 B11R0.140 C=CCCCC(=O)CCCCF 1458a_100000766728_100000729493 [0,0,0,0,0,0|2,0,2]=4 97 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [0,0,0,0,0,0|2,0,2]=4 98 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [0,0,0,0,0,0|2,0,2]=4 99 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000741012_100000757094 [0,0,0,0,0,0|2,0,2]=4 100 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000766728_100000740836 [0,0,0,0,0,0|2,0,2]=4 101 B11R0.140 C=CCCCC(=O)CCCSC 1458a_100000173376_100000757094 [0,0,0,0,0,0|2,0,2]=4 102 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000749530_100000757094 [0,0,0,0,0,0|2,0,2]=4 103 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000766728_100011215890 [0,0,0,0,0,0|2,0,2]=4 104 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000230768_100000757094 [0,0,0,0,0,0|2,0,2]=4 105 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000766728_100000757381 [0,0,0,0,0,0|2,0,2]=4 106 B11R0.140 C=CCCCC(=O)COCCC 1458a_100000745993_100000757094 [0,0,0,0,0,0|2,0,2]=4 107 B11R0.140 C=CCCCC(=O)CSCCC 1458a_100000217233_100000757094 [0,0,0,0,0,0|2,0,2]=4 108 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [0,0,0,0,0,0|1,0,2]=3 109 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [0,0,0,0,0,0|1,0,2]=3 110 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [0,0,0,0,0,0|1,0,2]=3 111 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [0,0,0,0,0,0|1,0,2]=3 112 B11R0.140 C=CCCCC(=O)NCCCF 11a_100015189416_100000766728 [0,0,0,0,0,0|2,0,2]=4 113 B11R0.140 C=CCCCC(=O)NCCCF 1626a_100015189416_100000766728 [0,0,0,0,0,0|2,0,2]=4 114 B11R0.140 C=CCCCC(=O)NCCCF 240690a_100015189416_100000766728 [0,0,0,0,0,0|2,0,2]=4 115 B11R0.140 C=CCCCC(=O)NCCCF 527a_100015189416_100000766728 [0,0,0,0,0,0|2,0,2]=4 116 B11R0.140 C=CCCCC(=O)NCCCO 240690a_100000182051_100000766728 [0,0,0,0,0,0|2,0,2]=4 117 B11R0.140 C=CCCCC(=O)NCCCO 527a_100000182051_100000766728 [0,0,0,0,0,0|2,0,2]=4 118 B11R0.140 C=CCCCC(=O)NCCOC 1626a_100000209980_100000766728 [0,0,0,0,0,0|2,0,2]=4 119 B11R0.140 C=CCCCC(=O)NCCOC 240690a_100000209980_100000766728 [0,0,0,0,0,0|2,0,2]=4 120 B11R0.140 C=CCCCC(=O)NCCOC 527a_100000209980_100000766728 [0,0,0,0,0,0|2,0,2]=4 121 B11R0.140 C=CCCCC(=O)NCCSC 11a_100020590264_100000766728 [0,0,0,0,0,0|2,0,2]=4 122 B11R0.140 C=CCCCC(=O)NCCSC 1626a_100020590264_100000766728 [0,0,0,0,0,0|2,0,2]=4 123 B11R0.140 C=CCCCC(=O)NCCSC 240690a_100020590264_100000766728 [0,0,0,0,0,0|2,0,2]=4 124 B11R0.140 C=CCCCC(=O)NCCSC 527a_100020590264_100000766728 [0,0,0,0,0,0|2,0,2]=4 125 B11R0.140 C=CCCCC(=O)NNCCC 22a_100000740057_100000766728 [0,0,0,0,0,0|2,0,2]=4 126 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [0,0,0,0,0,0|1,0,2]=3 127 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [0,0,0,0,0,0|1,0,2]=3 128 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [0,0,0,0,0,0|1,0,2]=3 129 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [0,0,0,0,0,0|1,0,2]=3 130 B11R0.140 C=CCCNC(=O)CCCCO 1626a_100015191253_100000695505 [0,0,0,0,0,0|2,0,2]=4 131 B11R0.140 C=CCCNC(=O)CCCOC 11a_100015191253_100000741012 [0,0,0,0,0,0|2,0,2]=4 132 B11R0.140 C=CCCNC(=O)CCCOC 1626a_100015191253_100000741012 [0,0,0,0,0,0|2,0,2]=4 133 B11R0.140 C=CCCNC(=O)CCCOC 240690a_100015191253_100000741012 [0,0,0,0,0,0|2,0,2]=4 134 B11R0.140 C=CCCNC(=O)CCCOC 527a_100015191253_100000741012 [0,0,0,0,0,0|2,0,2]=4 135 B11R0.140 C=CCCNC(=O)CCCSC 11a_100015191253_100000173376 [0,0,0,0,0,0|2,0,2]=4 136 B11R0.140 C=CCCNC(=O)CCCSC 1626a_100015191253_100000173376 [0,0,0,0,0,0|2,0,2]=4 137 B11R0.140 C=CCCNC(=O)CCCSC 240690a_100015191253_100000173376 [0,0,0,0,0,0|2,0,2]=4 138 B11R0.140 C=CCCNC(=O)CCCSC 527a_100015191253_100000173376 [0,0,0,0,0,0|2,0,2]=4 139 B11R0.140 C=CCCNC(=O)CCOCC 11a_100015191253_100000749530 [0,0,0,0,0,0|2,0,2]=4 140 B11R0.140 C=CCCNC(=O)CCOCC 1626a_100015191253_100000749530 [0,0,0,0,0,0|2,0,2]=4 141 B11R0.140 C=CCCNC(=O)CCOCC 240690a_100015191253_100000749530 [0,0,0,0,0,0|2,0,2]=4 142 B11R0.140 C=CCCNC(=O)CCOCC 527a_100015191253_100000749530 [0,0,0,0,0,0|2,0,2]=4 143 B11R0.140 C=CCCNC(=O)CCSCC 11a_100015191253_100000230768 [0,0,0,0,0,0|2,0,2]=4 144 B11R0.140 C=CCCNC(=O)CCSCC 1626a_100015191253_100000230768 [0,0,0,0,0,0|2,0,2]=4 145 B11R0.140 C=CCCNC(=O)CCSCC 240690a_100015191253_100000230768 [0,0,0,0,0,0|2,0,2]=4 146 B11R0.140 C=CCCNC(=O)CCSCC 527a_100015191253_100000230768 [0,0,0,0,0,0|2,0,2]=4 147 B11R0.140 C=CCCNC(=O)COCCC 11a_100015191253_100000745993 [0,0,0,0,0,0|2,0,2]=4 148 B11R0.140 C=CCCNC(=O)COCCC 1626a_100015191253_100000745993 [0,0,0,0,0,0|2,0,2]=4 149 B11R0.140 C=CCCNC(=O)COCCC 240690a_100015191253_100000745993 [0,0,0,0,0,0|2,0,2]=4 150 B11R0.140 C=CCCNC(=O)COCCC 527a_100015191253_100000745993 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.140 C=CCCNC(=O)CSCCC 11a_100015191253_100000217233 [0,0,0,0,0,0|2,0,2]=4 152 B11R0.140 C=CCCNC(=O)CSCCC 1626a_100015191253_100000217233 [0,0,0,0,0,0|2,0,2]=4 153 B11R0.140 C=CCCNC(=O)CSCCC 240690a_100015191253_100000217233 [0,0,0,0,0,0|2,0,2]=4 154 B11R0.140 C=CCCNC(=O)CSCCC 527a_100015191253_100000217233 [0,0,0,0,0,0|2,0,2]=4 155 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100000102301_100015191253 [0,0,0,0,0,0|2,0,2]=4 156 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100015191253_100000102301 [0,0,0,0,0,0|2,0,2]=4 157 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100000102301_100015191253 [0,0,0,0,0,0|2,0,2]=4 158 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100015191253_100000102301 [0,0,0,0,0,0|2,0,2]=4 159 B11R0.140 C=CCCNC(=O)NCCCC 512a_100000102301_100015191253 [0,0,0,0,0,0|2,0,2]=4 160 B11R0.140 C=CCCNC(=O)NCCCC 512a_100015191253_100000102301 [0,0,0,0,0,0|2,0,2]=4 161 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [0,0,0,0,0,0|1,0,3]=4 162 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [0,0,0,0,0,0|1,0,3]=4 163 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [0,0,0,0,0,0|1,0,3]=4 164 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [0,0,0,0,0,0|2,0,2]=4 165 B11R0.140 C=CCNCC(=O)NCCCC 2230a_100020586998_100000182744 [0,0,0,0,0,0|2,0,2]=4 166 B11R0.140 C=CCNCC(=O)OCCCC 2230a_100020586998_100000211628 [0,0,0,0,0,0|1,0,2]=3 167 B11R0.140 C=CCNCC(=O)OCCOC 2230a_100020586998_200000040189 [0,0,0,0,0,0|2,0,2]=4 168 B11R0.140 C=CCNNC(=O)CCCCC 22a_100020588587_100000212188 [0,0,0,0,0,0|2,0,2]=4 169 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [0,0,0,0,0,0|2,0,2]=4 170 B11R0.140 C=CCOCC(=O)NCCCC 34a_200000210373_100000182744 [0,0,0,0,0,0|2,0,2]=4 171 B11R0.140 C=CCOCC(=O)OCCCC 34a_200000210373_100000211628 [0,0,0,0,0,0|1,0,2]=3 172 B11R0.140 C=CCOCC(=O)OCCOC 34a_200000210373_200000040189 [0,0,0,0,0,0|2,0,2]=4 173 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [0,0,0,0,0,0|2,0,2]=4 174 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [0,0,0,0,0,0|2,0,2]=4 175 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [0,0,0,0,0,0|2,0,2]=4 176 B11R0.140 C=CCSCC(=O)NCCCC 11a_100000102301_100000230395 [0,0,0,0,0,0|2,0,2]=4 177 B11R0.140 C=CCSCC(=O)NCCCC 1626a_100000102301_100000230395 [0,0,0,0,0,0|2,0,2]=4 178 B11R0.140 C=CCSCC(=O)NCCCC 240690a_100000102301_100000230395 [0,0,0,0,0,0|2,0,2]=4 179 B11R0.140 C=CCSCC(=O)NCCCC 527a_100000102301_100000230395 [0,0,0,0,0,0|2,0,2]=4 180 B11R0.140 C=CCSCC(=O)NCCCC 62a_100000182744_100000210623 [0,0,0,0,0,0|2,0,2]=4 181 B11R0.140 C=CCSCC(=O)NCCCC 62a_100000210623_100000182744 [0,0,0,0,0,0|2,0,2]=4 182 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000210623_100000211628 [0,0,0,0,0,0|1,0,2]=3 183 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000211628_100000210623 [0,0,0,0,0,0|1,0,2]=3 184 B11R0.140 C=CCSCC(=O)OCCOC 62a_100000210623_200000040189 [0,0,0,0,0,0|2,0,2]=4 185 B11R0.140 C=CCSCC(=O)OCCOC 62a_200000040189_100000210623 [0,0,0,0,0,0|2,0,2]=4 186 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [0,0,0,0,0,0|2,0,2]=4 187 B11R0.140 CC#CCNC(=O)CCCCC 11a_100000685387_100000212188 [0,0,0,0,0,0|1,0,2]=3 188 B11R0.140 CC#CCNC(=O)CCCCC 1626a_100000685387_100000212188 [0,0,0,0,0,0|1,0,2]=3 189 B11R0.140 CC#CCNC(=O)CCCCC 527a_100000685387_100000212188 [0,0,0,0,0,0|1,0,2]=3 190 B11R0.140 CC#CCNC(=O)CCCCO 1626a_100000685387_100000695505 [0,0,0,0,0,0|2,0,2]=4 191 B11R0.140 CC#CCNC(=O)CCCOC 11a_100000685387_100000741012 [0,0,0,0,0,0|2,0,2]=4 192 B11R0.140 CC#CCNC(=O)CCCOC 1626a_100000685387_100000741012 [0,0,0,0,0,0|2,0,2]=4 193 B11R0.140 CC#CCNC(=O)CCCOC 527a_100000685387_100000741012 [0,0,0,0,0,0|2,0,2]=4 194 B11R0.140 CC#CCNC(=O)CCCSC 11a_100000685387_100000173376 [0,0,0,0,0,0|2,0,2]=4 195 B11R0.140 CC#CCNC(=O)CCCSC 1626a_100000685387_100000173376 [0,0,0,0,0,0|2,0,2]=4 196 B11R0.140 CC#CCNC(=O)CCCSC 527a_100000685387_100000173376 [0,0,0,0,0,0|2,0,2]=4 197 B11R0.140 CC#CCNC(=O)CCOCC 11a_100000685387_100000749530 [0,0,0,0,0,0|2,0,2]=4 198 B11R0.140 CC#CCNC(=O)CCOCC 1626a_100000685387_100000749530 [0,0,0,0,0,0|2,0,2]=4 199 B11R0.140 CC#CCNC(=O)CCOCC 527a_100000685387_100000749530 [0,0,0,0,0,0|2,0,2]=4 200 B11R0.140 CC#CCNC(=O)CCSCC 11a_100000685387_100000230768 [0,0,0,0,0,0|2,0,2]=4 201 B11R0.140 CC#CCNC(=O)CCSCC 1626a_100000685387_100000230768 [0,0,0,0,0,0|2,0,2]=4 202 B11R0.140 CC#CCNC(=O)CCSCC 527a_100000685387_100000230768 [0,0,0,0,0,0|2,0,2]=4 203 B11R0.140 CC#CCNC(=O)COCCC 11a_100000685387_100000745993 [0,0,0,0,0,0|2,0,2]=4 204 B11R0.140 CC#CCNC(=O)COCCC 1626a_100000685387_100000745993 [0,0,0,0,0,0|2,0,2]=4 205 B11R0.140 CC#CCNC(=O)COCCC 527a_100000685387_100000745993 [0,0,0,0,0,0|2,0,2]=4 206 B11R0.140 CC#CCNC(=O)CSCCC 11a_100000685387_100000217233 [0,0,0,0,0,0|2,0,2]=4 207 B11R0.140 CC#CCNC(=O)CSCCC 1626a_100000685387_100000217233 [0,0,0,0,0,0|2,0,2]=4 208 B11R0.140 CC#CCNC(=O)CSCCC 527a_100000685387_100000217233 [0,0,0,0,0,0|2,0,2]=4 209 B11R0.140 CC#CCNC(=O)NCCCC 2708a_100000102301_100000685387 [0,0,0,0,0,0|2,0,2]=4 210 B11R0.140 CC#CCNC(=O)NCCCC 273464a_100000102301_100000685387 [0,0,0,0,0,0|2,0,2]=4 211 B11R0.140 CC#CCNC(=O)NCCCC 273464a_100000685387_100000102301 [0,0,0,0,0,0|2,0,2]=4 212 B11R0.140 CC#CCNC(=O)NCCCC 512a_100000102301_100000685387 [0,0,0,0,0,0|2,0,2]=4 213 B11R0.140 CC#CCNC(=O)NCCCC 512a_100000685387_100000102301 [0,0,0,0,0,0|2,0,2]=4 214 B11R0.140 CC#CCOC(C)CCCCC 34a_100000761923_200011218191 [0,0,0,0,0,0|1,0,3]=4 215 B11R0.140 CC#CCOC(C)CCCCC 34a_100011215632_100000748600 [0,0,0,0,0,0|1,0,3]=4 216 B11R0.140 CC#CCOC(C)CCCCC 7a_100011215632_100000748600 [0,0,0,0,0,0|1,0,3]=4 217 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,0,0,0,0,0|1,0,2]=3 218 B11R0.140 CC/C=C/CC(=O)CCCCF 1458a_100016274230_100000729493 [0,0,0,0,0,0|2,0,2]=4 219 B11R0.140 CC/C=C/CC(=O)CCCCO 1458a_100016274230_100000210776 [0,0,0,0,0,0|2,0,2]=4 220 B11R0.140 CC/C=C/CC(=O)CCCOC 1458a_100016274230_100000740836 [0,0,0,0,0,0|2,0,2]=4 221 B11R0.140 CC/C=C/CC(=O)CCOCC 1458a_100016274230_100011215890 [0,0,0,0,0,0|2,0,2]=4 222 B11R0.140 CC/C=C/CC(=O)CCSCC 1458a_100016274230_100000757381 [0,0,0,0,0,0|2,0,2]=4 223 B11R0.140 CC/C=C/CC(=O)NCCCC 11a_100000102301_100016274230 [0,0,0,0,0,0|1,0,2]=3 224 B11R0.140 CC/C=C/CC(=O)NCCCC 1626a_100000102301_100016274230 [0,0,0,0,0,0|1,0,2]=3 225 B11R0.140 CC/C=C/CC(=O)NCCCC 240690a_100000102301_100016274230 [0,0,0,0,0,0|1,0,2]=3 226 B11R0.140 CC/C=C/CC(=O)NCCCC 527a_100000102301_100016274230 [0,0,0,0,0,0|1,0,2]=3 227 B11R0.140 CC/C=C/CC(=O)NCCCF 11a_100015189416_100016274230 [0,0,0,0,0,0|2,0,2]=4 228 B11R0.140 CC/C=C/CC(=O)NCCCF 1626a_100015189416_100016274230 [0,0,0,0,0,0|2,0,2]=4 229 B11R0.140 CC/C=C/CC(=O)NCCCF 240690a_100015189416_100016274230 [0,0,0,0,0,0|2,0,2]=4 230 B11R0.140 CC/C=C/CC(=O)NCCCF 527a_100015189416_100016274230 [0,0,0,0,0,0|2,0,2]=4 231 B11R0.140 CC/C=C/CC(=O)NCCCO 240690a_100000182051_100016274230 [0,0,0,0,0,0|2,0,2]=4 232 B11R0.140 CC/C=C/CC(=O)NCCCO 527a_100000182051_100016274230 [0,0,0,0,0,0|2,0,2]=4 233 B11R0.140 CC/C=C/CC(=O)NCCOC 1626a_100000209980_100016274230 [0,0,0,0,0,0|2,0,2]=4 234 B11R0.140 CC/C=C/CC(=O)NCCOC 240690a_100000209980_100016274230 [0,0,0,0,0,0|2,0,2]=4 235 B11R0.140 CC/C=C/CC(=O)NCCOC 527a_100000209980_100016274230 [0,0,0,0,0,0|2,0,2]=4 236 B11R0.140 CC/C=C/CC(=O)NCCSC 11a_100020590264_100016274230 [0,0,0,0,0,0|2,0,2]=4 237 B11R0.140 CC/C=C/CC(=O)NCCSC 1626a_100020590264_100016274230 [0,0,0,0,0,0|2,0,2]=4 238 B11R0.140 CC/C=C/CC(=O)NCCSC 240690a_100020590264_100016274230 [0,0,0,0,0,0|2,0,2]=4 239 B11R0.140 CC/C=C/CC(=O)NCCSC 527a_100020590264_100016274230 [0,0,0,0,0,0|2,0,2]=4 240 B11R0.140 CC/C=C/CC(=O)NNCCC 22a_100000740057_100016274230 [0,0,0,0,0,0|2,0,2]=4 241 B11R0.140 CC/C=C\CC(=O)C#CCCC 1458a_200011218047_100103147603 [0,0,0,0,0,0|1,0,3]=4 242 B11R0.140 CC/C=C\CC(=O)C=CCCC 1458a_100000212230_100103147603 [0,0,0,0,0,0|1,0,3]=4 243 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,0,0,0,0,0|1,0,2]=3 244 B11R0.140 CC/C=C\CC(=O)CCCCO 1458a_100000695505_100103147603 [0,0,0,0,0,0|2,0,2]=4 245 B11R0.140 CC/C=C\CC(=O)CCCOC 1458a_100000741012_100103147603 [0,0,0,0,0,0|2,0,2]=4 246 B11R0.140 CC/C=C\CC(=O)CCCSC 1458a_100000173376_100103147603 [0,0,0,0,0,0|2,0,2]=4 247 B11R0.140 CC/C=C\CC(=O)CCOCC 1458a_100000749530_100103147603 [0,0,0,0,0,0|2,0,2]=4 248 B11R0.140 CC/C=C\CC(=O)CCSCC 1458a_100000230768_100103147603 [0,0,0,0,0,0|2,0,2]=4 249 B11R0.140 CC/C=C\CC(=O)COCCC 1458a_100000745993_100103147603 [0,0,0,0,0,0|2,0,2]=4 250 B11R0.140 CC/C=C\CC(=O)CSCCC 1458a_100000217233_100103147603 [0,0,0,0,0,0|2,0,2]=4 251 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [0,0,0,0,0,0|1,0,3]=4 252 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [0,0,0,0,0,0|1,0,3]=4 253 B11R0.140 CCC#CCC(=O)C#CCCC 1458a_200011218047_100009813939 [0,0,0,0,0,0|1,0,3]=4 254 B11R0.140 CCC#CCC(=O)C=CCCC 1458a_100000212230_100009813939 [0,0,0,0,0,0|1,0,3]=4 255 B11R0.140 CCC#CCC(=O)CCCCC 1458a_100000212188_100009813939 [0,0,0,0,0,0|1,0,2]=3 256 B11R0.140 CCC#CCC(=O)CCCCO 1458a_100000695505_100009813939 [0,0,0,0,0,0|2,0,2]=4 257 B11R0.140 CCC#CCC(=O)CCCOC 1458a_100000741012_100009813939 [0,0,0,0,0,0|2,0,2]=4 258 B11R0.140 CCC#CCC(=O)CCCSC 1458a_100000173376_100009813939 [0,0,0,0,0,0|2,0,2]=4 259 B11R0.140 CCC#CCC(=O)CCOCC 1458a_100000749530_100009813939 [0,0,0,0,0,0|2,0,2]=4 260 B11R0.140 CCC#CCC(=O)CCSCC 1458a_100000230768_100009813939 [0,0,0,0,0,0|2,0,2]=4 261 B11R0.140 CCC#CCC(=O)COCCC 1458a_100000745993_100009813939 [0,0,0,0,0,0|2,0,2]=4 262 B11R0.140 CCC#CCC(=O)CSCCC 1458a_100000217233_100009813939 [0,0,0,0,0,0|2,0,2]=4 263 B11R0.140 CCC#CCC(C)OCCCC 34a_200000035118_100000210210 [0,0,0,0,0,0|1,0,3]=4 264 B11R0.140 CCC#CCC(C)OCCCC 7a_200000035118_100000210211 [0,0,0,0,0,0|1,0,3]=4 265 B11R0.140 CCC=NNC(=O)CCCCC 4a_100000189784_100000210100 [0,0,0,0,0,0|2,0,1]=3 266 B11R0.140 CCCC#CC(=O)CCCC#N 1458a_200011218047_100000211468 [0,0,0,0,0,0|2,0,2]=4 267 B11R0.140 CCCC#CC(=O)CCCCC 1458a_200011218047_100000210326 [0,0,0,0,0,0|1,0,1]=2 268 B11R0.140 CCCC#CC(=O)CCCCF 1458a_200011218047_100000729493 [0,0,0,0,0,0|2,0,1]=3 269 B11R0.140 CCCC#CC(=O)CCCCO 1458a_200011218047_100000210776 [0,0,0,0,0,0|2,0,1]=3 270 B11R0.140 CCCC#CC(=O)CCCOC 1458a_200011218047_100000740836 [0,0,0,0,0,0|2,0,1]=3 271 B11R0.140 CCCC#CC(=O)CCOCC 1458a_200011218047_100011215890 [0,0,0,0,0,0|2,0,1]=3 272 B11R0.140 CCCC#CC(=O)CCSCC 1458a_200011218047_100000757381 [0,0,0,0,0,0|2,0,1]=3 273 B11R0.140 CCCC#CC(=O)NCCCC 240690a_100000102301_200011218047 [0,0,0,0,0,0|1,0,2]=3 274 B11R0.140 CCCC#CC(=O)NCCCF 240690a_100015189416_200011218047 [0,0,0,0,0,0|2,0,2]=4 275 B11R0.140 CCCC#CC(=O)NCCCO 240690a_100000182051_200011218047 [0,0,0,0,0,0|2,0,2]=4 276 B11R0.140 CCCC#CC(=O)NCCOC 240690a_100000209980_200011218047 [0,0,0,0,0,0|2,0,2]=4 277 B11R0.140 CCCC#CC(=O)NCCSC 240690a_100020590264_200011218047 [0,0,0,0,0,0|2,0,2]=4 278 B11R0.140 CCCC#CC(=O)NNCCC 22a_100000740057_200011218047 [0,0,0,0,0,0|2,0,2]=4 279 B11R0.140 CCCC=CC(=O)CCCC#N 1458a_100000212230_100000211468 [0,0,0,0,0,0|2,0,2]=4 280 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [0,0,0,0,0,0|1,0,1]=2 281 B11R0.140 CCCC=CC(=O)CCCCF 1458a_100000212230_100000729493 [0,0,0,0,0,0|2,0,1]=3 282 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [0,0,0,0,0,0|2,0,1]=3 283 B11R0.140 CCCC=CC(=O)CCCOC 1458a_100000212230_100000740836 [0,0,0,0,0,0|2,0,1]=3 284 B11R0.140 CCCC=CC(=O)CCOCC 1458a_100000212230_100011215890 [0,0,0,0,0,0|2,0,1]=3 285 B11R0.140 CCCC=CC(=O)CCSCC 1458a_100000212230_100000757381 [0,0,0,0,0,0|2,0,1]=3 286 B11R0.140 CCCC=CC(=O)NCCCC 11a_100000102301_100000212230 [0,0,0,0,0,0|1,0,2]=3 287 B11R0.140 CCCC=CC(=O)NCCCC 1626a_100000102301_100000212230 [0,0,0,0,0,0|1,0,2]=3 288 B11R0.140 CCCC=CC(=O)NCCCC 240690a_100000102301_100000212230 [0,0,0,0,0,0|1,0,2]=3 289 B11R0.140 CCCC=CC(=O)NCCCF 11a_100015189416_100000212230 [0,0,0,0,0,0|2,0,2]=4 290 B11R0.140 CCCC=CC(=O)NCCCF 1626a_100015189416_100000212230 [0,0,0,0,0,0|2,0,2]=4 291 B11R0.140 CCCC=CC(=O)NCCCF 240690a_100015189416_100000212230 [0,0,0,0,0,0|2,0,2]=4 292 B11R0.140 CCCC=CC(=O)NCCCO 240690a_100000182051_100000212230 [0,0,0,0,0,0|2,0,2]=4 293 B11R0.140 CCCC=CC(=O)NCCOC 1626a_100000209980_100000212230 [0,0,0,0,0,0|2,0,2]=4 294 B11R0.140 CCCC=CC(=O)NCCOC 240690a_100000209980_100000212230 [0,0,0,0,0,0|2,0,2]=4 295 B11R0.140 CCCC=CC(=O)NCCSC 11a_100020590264_100000212230 [0,0,0,0,0,0|2,0,2]=4 296 B11R0.140 CCCC=CC(=O)NCCSC 1626a_100020590264_100000212230 [0,0,0,0,0,0|2,0,2]=4 297 B11R0.140 CCCC=CC(=O)NCCSC 240690a_100020590264_100000212230 [0,0,0,0,0,0|2,0,2]=4 298 B11R0.140 CCCC=CC(=O)NNCCC 22a_100000740057_100000212230 [0,0,0,0,0,0|2,0,2]=4 299 B11R0.140 CCCCCC(=NNCCC)C 4a_100000740057_100000211708 [0,0,0,0,0,0|3,0,0]=3 300 B11R0.140 CCCCCC(=NNCCO)C 4a_100000210001_100000211708 [0,0,0,0,0,0|4,0,0]=4 301 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [0,0,0,0,0,0|2,0,1]=3 302 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [0,0,0,0,0,0|2,0,1]=3 303 B11R0.140 CCCCCC(=O)CC#CCO 1458a_100000212188_200000047223 [0,0,0,0,0,0|2,0,2]=4 304 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [0,0,0,0,0,0|2,0,1]=3 305 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [0,0,0,0,0,0|2,0,1]=3 306 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [0,0,0,0,0,0|1,0,0]=1 307 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [0,0,0,0,0,0|2,0,0]=2 308 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,0,0,0,0,0|2,0,0]=2 309 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,0,0,0,0,0|2,0,0]=2 310 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [0,0,0,0,0,0|2,0,0]=2 311 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [0,0,0,0,0,0|2,0,0]=2 312 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [0,0,0,0,0,0|2,0,0]=2 313 B11R0.140 CCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210326 [0,0,0,0,0,0|4,0,0]=4 314 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [0,0,0,0,0,0|2,0,0]=2 315 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [0,0,0,0,0,0|2,0,0]=2 316 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [0,0,0,0,0,0|2,0,0]=2 317 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [0,0,0,0,0,0|2,0,0]=2 318 B11R0.140 CCCCCC(=O)CNCCF 34a_100000724931_200012276598 [0,0,0,0,0,0|3,0,0]=3 319 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [0,0,0,0,0,0|3,0,0]=3 320 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [0,0,0,0,0,0|3,0,0]=3 321 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [0,0,0,0,0,0|3,0,0]=3 322 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [0,0,0,0,0,0|2,0,0]=2 323 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [0,0,0,0,0,0|2,0,0]=2 324 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [0,0,0,0,0,0|3,0,0]=3 325 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,0,0,0,0,0|3,0,0]=3 326 B11R0.140 CCCCCC(=O)CSCC#N 1458a_100000150266_100000210326 [0,0,0,0,0,0|3,0,1]=4 327 B11R0.140 CCCCCC(=O)CSCC#N 62a_100011215382_200012276598 [0,0,0,0,0,0|3,0,1]=4 328 B11R0.140 CCCCCC(=O)CSCC#N 62a_200012276598_100011215382 [0,0,0,0,0,0|3,0,1]=4 329 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [0,0,0,0,0,0|3,0,1]=4 330 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [0,0,0,0,0,0|3,0,1]=4 331 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [0,0,0,0,0,0|2,0,0]=2 332 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [0,0,0,0,0,0|2,0,0]=2 333 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [0,0,0,0,0,0|2,0,0]=2 334 B11R0.140 CCCCCC(=O)CSCCF 62a_100011217306_200012276598 [0,0,0,0,0,0|3,0,0]=3 335 B11R0.140 CCCCCC(=O)CSCCF 62a_200012276598_100011217306 [0,0,0,0,0,0|3,0,0]=3 336 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [0,0,0,0,0,0|3,0,0]=3 337 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [0,0,0,0,0,0|3,0,0]=3 338 B11R0.140 CCCCCC(=O)CSCOC 62a_100000766300_200012276598 [0,0,0,0,0,0|3,0,0]=3 339 B11R0.140 CCCCCC(=O)CSCOC 62a_200012276598_100000766300 [0,0,0,0,0,0|3,0,0]=3 340 B11R0.140 CCCCCC(=O)CSCSC 62a_100011218213_200012276598 [0,0,0,0,0,0|3,0,0]=3 341 B11R0.140 CCCCCC(=O)CSCSC 62a_200012276598_100011218213 [0,0,0,0,0,0|3,0,0]=3 342 B11R0.140 CCCCCC(=O)NCCC#N 11a_100000720768_100000212188 [0,0,0,0,0,0|2,0,1]=3 343 B11R0.140 CCCCCC(=O)NCCC#N 1626a_100000720768_100000212188 [0,0,0,0,0,0|2,0,1]=3 344 B11R0.140 CCCCCC(=O)NCCC#N 240690a_100000720768_100000212188 [0,0,0,0,0,0|2,0,1]=3 345 B11R0.140 CCCCCC(=O)NCCC#N 527a_100000720768_100000212188 [0,0,0,0,0,0|2,0,1]=3 346 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [0,0,0,0,0,0|1,0,0]=1 347 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [0,0,0,0,0,0|1,0,0]=1 348 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [0,0,0,0,0,0|1,0,0]=1 349 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [0,0,0,0,0,0|1,0,0]=1 350 B11R0.140 CCCCCC(=O)NCCCF 11a_100015189416_100000212188 [0,0,0,0,0,0|2,0,0]=2 351 B11R0.140 CCCCCC(=O)NCCCF 1626a_100015189416_100000212188 [0,0,0,0,0,0|2,0,0]=2 352 B11R0.140 CCCCCC(=O)NCCCF 240690a_100015189416_100000212188 [0,0,0,0,0,0|2,0,0]=2 353 B11R0.140 CCCCCC(=O)NCCCF 527a_100015189416_100000212188 [0,0,0,0,0,0|2,0,0]=2 354 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [0,0,0,0,0,0|2,0,0]=2 355 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [0,0,0,0,0,0|2,0,0]=2 356 B11R0.140 CCCCCC(=O)NCCOC 1626a_100000209980_100000212188 [0,0,0,0,0,0|2,0,0]=2 357 B11R0.140 CCCCCC(=O)NCCOC 240690a_100000209980_100000212188 [0,0,0,0,0,0|2,0,0]=2 358 B11R0.140 CCCCCC(=O)NCCOC 527a_100000209980_100000212188 [0,0,0,0,0,0|2,0,0]=2 359 B11R0.140 CCCCCC(=O)NCCSC 11a_100020590264_100000212188 [0,0,0,0,0,0|2,0,0]=2 360 B11R0.140 CCCCCC(=O)NCCSC 1626a_100020590264_100000212188 [0,0,0,0,0,0|2,0,0]=2 361 B11R0.140 CCCCCC(=O)NCCSC 240690a_100020590264_100000212188 [0,0,0,0,0,0|2,0,0]=2 362 B11R0.140 CCCCCC(=O)NCCSC 527a_100020590264_100000212188 [0,0,0,0,0,0|2,0,0]=2 363 B11R0.140 CCCCCC(=O)NNCCC 22a_100000740057_100000212188 [0,0,0,0,0,0|2,0,0]=2 364 B11R0.140 CCCCCC(=O)NNCCO 22a_100000210001_100000212188 [0,0,0,0,0,0|3,0,0]=3 365 B11R0.140 CCCCCC(C)NCCCC 2230a_100000102301_200011218191 [0,0,0,0,0,0|2,0,1]=3 366 B11R0.140 CCCCCC(C)NCCCC 2230a_100000211957_100000210211 [0,0,0,0,0,0|2,0,1]=3 367 B11R0.140 CCCCCC(C)NCCCC 270004a_100000102301_100000211708 [0,0,0,0,0,0|2,0,1]=3 368 B11R0.140 CCCCCC(C)NCCCC 7a_106832991798_200011218191 [0,0,0,0,0,0|2,0,1]=3 369 B11R0.140 CCCCCC(C)NCCCF 2230a_100000211957_100011934791 [0,0,0,0,0,0|3,0,1]=4 370 B11R0.140 CCCCCC(C)NCCCF 2230a_100015189416_200011218191 [0,0,0,0,0,0|3,0,1]=4 371 B11R0.140 CCCCCC(C)NCCCF 270004a_100015189416_100000211708 [0,0,0,0,0,0|3,0,1]=4 372 B11R0.140 CCCCCC(C)NCCCF 34a_100015189416_200011218191 [0,0,0,0,0,0|3,0,1]=4 373 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [0,0,0,0,0,0|3,0,1]=4 374 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [0,0,0,0,0,0|3,0,1]=4 375 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [0,0,0,0,0,0|3,0,1]=4 376 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [0,0,0,0,0,0|3,0,1]=4 377 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [0,0,0,0,0,0|3,0,1]=4 378 B11R0.140 CCCCCC(C)NCCSC 2230a_100000211957_100000751147 [0,0,0,0,0,0|3,0,1]=4 379 B11R0.140 CCCCCC(C)NCCSC 2230a_100020590264_200011218191 [0,0,0,0,0,0|3,0,1]=4 380 B11R0.140 CCCCCC(C)NCCSC 270004a_100020590264_100000211708 [0,0,0,0,0,0|3,0,1]=4 381 B11R0.140 CCCCCC(C)OCCC#N 7a_100011215632_100000184422 [0,0,0,0,0,0|2,0,2]=4 382 B11R0.140 CCCCCC(C)OCCCBr 34a_100011217188_200011218191 [0,0,0,0,0,0|2,0,1]=3 383 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [0,0,0,0,0,0|1,0,1]=2 384 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [0,0,0,0,0,0|1,0,1]=2 385 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [0,0,0,0,0,0|1,0,1]=2 386 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [0,0,0,0,0,0|1,0,1]=2 387 B11R0.140 CCCCCC(C)OCCCCl 34a_100000230001_200011218191 [0,0,0,0,0,0|2,0,1]=3 388 B11R0.140 CCCCCC(C)OCCCF 34a_100000759539_200011218191 [0,0,0,0,0,0|2,0,1]=3 389 B11R0.140 CCCCCC(C)OCCCF 34a_100011215632_100011934791 [0,0,0,0,0,0|2,0,1]=3 390 B11R0.140 CCCCCC(C)OCCCF 7a_100011215632_100011934791 [0,0,0,0,0,0|2,0,1]=3 391 B11R0.140 CCCCCC(C)OCCCN 34a_100000182051_200011218191 [0,0,0,0,0,0|2,0,1]=3 392 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [0,0,0,0,0,0|2,0,1]=3 393 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [0,0,0,0,0,0|2,0,1]=3 394 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [0,0,0,0,0,0|2,0,1]=3 395 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [0,0,0,0,0,0|2,0,1]=3 396 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [0,0,0,0,0,0|2,0,1]=3 397 B11R0.140 CCCCCC(C)OCCON 34a_100000700252_200011218191 [0,0,0,0,0,0|3,0,1]=4 398 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [0,0,0,0,0,0|2,0,1]=3 399 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [0,0,0,0,0,0|2,0,1]=3 400 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [0,0,0,0,0,0|2,0,1]=3 401 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [0,0,0,0,0,0|2,0,1]=3 402 B11R0.140 CCCCCC(C)SCCCC 62a_100000210211_200011218191 [0,0,0,0,0,0|1,1,1]=3 403 B11R0.140 CCCCCC(C)SCCCC 62a_200011218191_100000210210 [0,0,0,0,0,0|1,1,1]=3 404 B11R0.140 CCCCCC(C)SCCCF 62a_100011934791_200011218191 [0,0,0,0,0,0|2,1,1]=4 405 B11R0.140 CCCCCC(C)SCCCF 62a_200011218191_100011934791 [0,0,0,0,0,0|2,1,1]=4 406 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [0,0,0,0,0,0|2,1,1]=4 407 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [0,0,0,0,0,0|2,1,1]=4 408 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [0,0,0,0,0,0|2,1,1]=4 409 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [0,0,0,0,0,0|2,1,1]=4 410 B11R0.140 CCCCCC(C)SCCSC 62a_100000212216_200011218191 [0,0,0,0,0,0|2,1,1]=4 411 B11R0.140 CCCCCC(C)SCCSC 62a_200011218191_100000751147 [0,0,0,0,0,0|2,1,1]=4 412 B11R0.140 CCCCCC(C)SCOCC 62a_100000739092_200011218191 [0,0,0,0,0,0|2,1,1]=4 413 B11R0.140 CCCCCC(C)SCOCC 62a_200011218191_100000739092 [0,0,0,0,0,0|2,1,1]=4 414 B11R0.140 CCCCCN(C)CCCCC 2230a_100000210580_200000210301 [0,0,0,0,0,0|3,0,0]=3 415 B11R0.140 CCCCCN(C)CCCCC 2230a_100000223495_100000210326 [0,0,0,0,0,0|3,0,0]=3 416 B11R0.140 CCCCCN(C)CCCCC 269982a_100000210580_200000210301 [0,0,0,0,0,0|3,0,0]=3 417 B11R0.140 CCCCCN(C)CCCCC 269982a_100000223495_100000210215 [0,0,0,0,0,0|3,0,0]=3 418 B11R0.140 CCCCCN(C)CCCCF 2230a_100000223495_100000729493 [0,0,0,0,0,0|4,0,0]=4 419 B11R0.140 CCCCCN(C)CCCCF 269982a_100000223495_100000729493 [0,0,0,0,0,0|4,0,0]=4 420 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [0,0,0,0,0,0|4,0,0]=4 421 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [0,0,0,0,0,0|4,0,0]=4 422 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [0,0,0,0,0,0|4,0,0]=4 423 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [0,0,0,0,0,0|4,0,0]=4 424 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [0,0,0,0,0,0|4,0,0]=4 425 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [0,0,0,0,0,0|4,0,0]=4 426 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [0,0,0,0,0,0|4,0,0]=4 427 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [0,0,0,0,0,0|4,0,0]=4 428 B11R0.140 CCCCCN(C)CCOCC 2230a_100000223495_100011215890 [0,0,0,0,0,0|4,0,0]=4 429 B11R0.140 CCCCCN(C)CCOCC 269982a_100000223495_100011215890 [0,0,0,0,0,0|4,0,0]=4 430 B11R0.140 CCCCCN(C)CCSCC 2230a_100000223495_100000757381 [0,0,0,0,0,0|4,0,0]=4 431 B11R0.140 CCCCCN(C)CCSCC 269982a_100000223495_100000757381 [0,0,0,0,0,0|4,0,0]=4 432 B11R0.140 CCCCCN([13CH3])CCCCC 2230a_100000210580_200025704644 [0,0,0,0,0,0|3,0,0]=3 433 B11R0.140 CCCCCN([13CH3])CCCCC 269982a_100000210580_200025704644 [0,0,0,0,0,0|3,0,0]=3 434 B11R0.140 CCCCNC(=O)C=CCOC 11a_100000102301_100016285016 [0,0,0,0,0,0|2,0,2]=4 435 B11R0.140 CCCCNC(=O)C=CCOC 1626a_100000102301_100016285016 [0,0,0,0,0,0|2,0,2]=4 436 B11R0.140 CCCCNC(=O)C=CCOC 240690a_100000102301_100016285016 [0,0,0,0,0,0|2,0,2]=4 437 B11R0.140 CCCCNC(=O)C=COCC 11a_100000102301_100016266692 [0,0,0,0,0,0|2,0,2]=4 438 B11R0.140 CCCCNC(=O)C=COCC 1626a_100000102301_100016266692 [0,0,0,0,0,0|2,0,2]=4 439 B11R0.140 CCCCNC(=O)C=COCC 240690a_100000102301_100016266692 [0,0,0,0,0,0|2,0,2]=4 440 B11R0.140 CCCCNC(=O)CCCC#N 11a_100000102301_100000075515 [0,0,0,0,0,0|2,0,1]=3 441 B11R0.140 CCCCNC(=O)CCCC#N 1626a_100000102301_100000075515 [0,0,0,0,0,0|2,0,1]=3 442 B11R0.140 CCCCNC(=O)CCCC#N 240690a_100000102301_100000075515 [0,0,0,0,0,0|2,0,1]=3 443 B11R0.140 CCCCNC(=O)CCCC#N 527a_100000102301_100000075515 [0,0,0,0,0,0|2,0,1]=3 444 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [0,0,0,0,0,0|2,0,0]=2 445 B11R0.140 CCCCNC(=O)CCCOC 11a_100000102301_100000741012 [0,0,0,0,0,0|2,0,0]=2 446 B11R0.140 CCCCNC(=O)CCCOC 1626a_100000102301_100000741012 [0,0,0,0,0,0|2,0,0]=2 447 B11R0.140 CCCCNC(=O)CCCOC 240690a_100000102301_100000741012 [0,0,0,0,0,0|2,0,0]=2 448 B11R0.140 CCCCNC(=O)CCCOC 527a_100000102301_100000741012 [0,0,0,0,0,0|2,0,0]=2 449 B11R0.140 CCCCNC(=O)CCCSC 11a_100000102301_100000173376 [0,0,0,0,0,0|2,0,0]=2 450 B11R0.140 CCCCNC(=O)CCCSC 1626a_100000102301_100000173376 [0,0,0,0,0,0|2,0,0]=2 451 B11R0.140 CCCCNC(=O)CCCSC 240690a_100000102301_100000173376 [0,0,0,0,0,0|2,0,0]=2 452 B11R0.140 CCCCNC(=O)CCCSC 527a_100000102301_100000173376 [0,0,0,0,0,0|2,0,0]=2 453 B11R0.140 CCCCNC(=O)CCN=[N+]=[N-] 11a_100000102301_100000688302 [0,0,0,0,0,0|4,0,0]=4 454 B11R0.140 CCCCNC(=O)CCN=[N+]=[N-] 240690a_100000102301_100000688302 [0,0,0,0,0,0|4,0,0]=4 455 B11R0.140 CCCCNC(=O)CCOCC 11a_100000102301_100000749530 [0,0,0,0,0,0|2,0,0]=2 456 B11R0.140 CCCCNC(=O)CCOCC 1626a_100000102301_100000749530 [0,0,0,0,0,0|2,0,0]=2 457 B11R0.140 CCCCNC(=O)CCOCC 240690a_100000102301_100000749530 [0,0,0,0,0,0|2,0,0]=2 458 B11R0.140 CCCCNC(=O)CCOCC 527a_100000102301_100000749530 [0,0,0,0,0,0|2,0,0]=2 459 B11R0.140 CCCCNC(=O)CCSCC 11a_100000102301_100000230768 [0,0,0,0,0,0|2,0,0]=2 460 B11R0.140 CCCCNC(=O)CCSCC 1626a_100000102301_100000230768 [0,0,0,0,0,0|2,0,0]=2 461 B11R0.140 CCCCNC(=O)CCSCC 240690a_100000102301_100000230768 [0,0,0,0,0,0|2,0,0]=2 462 B11R0.140 CCCCNC(=O)CCSCC 527a_100000102301_100000230768 [0,0,0,0,0,0|2,0,0]=2 463 B11R0.140 CCCCNC(=O)CNCCF 34a_100000724931_100000182744 [0,0,0,0,0,0|3,0,0]=3 464 B11R0.140 CCCCNC(=O)CNCCO 2230a_100016997473_100000182744 [0,0,0,0,0,0|3,0,0]=3 465 B11R0.140 CCCCNC(=O)CNCCO 34a_100016990907_100000182744 [0,0,0,0,0,0|3,0,0]=3 466 B11R0.140 CCCCNC(=O)COCCBr 34a_100000211926_100000182744 [0,0,0,0,0,0|3,0,0]=3 467 B11R0.140 CCCCNC(=O)COCCC 11a_100000102301_100000745993 [0,0,0,0,0,0|2,0,0]=2 468 B11R0.140 CCCCNC(=O)COCCC 1626a_100000102301_100000745993 [0,0,0,0,0,0|2,0,0]=2 469 B11R0.140 CCCCNC(=O)COCCC 240690a_100000102301_100000745993 [0,0,0,0,0,0|2,0,0]=2 470 B11R0.140 CCCCNC(=O)COCCC 34a_100000210258_100000182744 [0,0,0,0,0,0|2,0,0]=2 471 B11R0.140 CCCCNC(=O)COCCC 527a_100000102301_100000745993 [0,0,0,0,0,0|2,0,0]=2 472 B11R0.140 CCCCNC(=O)COCCN 34a_100000210304_100000182744 [0,0,0,0,0,0|3,0,0]=3 473 B11R0.140 CCCCNC(=O)COCCO 1626a_100000102301_100000708028 [0,0,0,0,0,0|3,0,0]=3 474 B11R0.140 CCCCNC(=O)COCCO 240690a_100000102301_100000708028 [0,0,0,0,0,0|3,0,0]=3 475 B11R0.140 CCCCNC(=O)CSCC#N 11a_100000102301_100000150266 [0,0,0,0,0,0|3,0,1]=4 476 B11R0.140 CCCCNC(=O)CSCC#N 1626a_100000102301_100000150266 [0,0,0,0,0,0|3,0,1]=4 477 B11R0.140 CCCCNC(=O)CSCC#N 240690a_100000102301_100000150266 [0,0,0,0,0,0|3,0,1]=4 478 B11R0.140 CCCCNC(=O)CSCC#N 62a_100000182744_100011215382 [0,0,0,0,0,0|3,0,1]=4 479 B11R0.140 CCCCNC(=O)CSCC#N 62a_100011215382_100000182744 [0,0,0,0,0,0|3,0,1]=4 480 B11R0.140 CCCCNC(=O)CSCC=O 62a_100000182744_200015260668 [0,0,0,0,0,0|3,0,1]=4 481 B11R0.140 CCCCNC(=O)CSCC=O 62a_200015260668_100000182744 [0,0,0,0,0,0|3,0,1]=4 482 B11R0.140 CCCCNC(=O)CSCCC 11a_100000102301_100000217233 [0,0,0,0,0,0|2,0,0]=2 483 B11R0.140 CCCCNC(=O)CSCCC 1626a_100000102301_100000217233 [0,0,0,0,0,0|2,0,0]=2 484 B11R0.140 CCCCNC(=O)CSCCC 240690a_100000102301_100000217233 [0,0,0,0,0,0|2,0,0]=2 485 B11R0.140 CCCCNC(=O)CSCCC 527a_100000102301_100000217233 [0,0,0,0,0,0|2,0,0]=2 486 B11R0.140 CCCCNC(=O)CSCCC 62a_100000182744_100000210303 [0,0,0,0,0,0|2,0,0]=2 487 B11R0.140 CCCCNC(=O)CSCCC 62a_100000210303_100000182744 [0,0,0,0,0,0|2,0,0]=2 488 B11R0.140 CCCCNC(=O)CSCCF 62a_100000182744_100011217306 [0,0,0,0,0,0|3,0,0]=3 489 B11R0.140 CCCCNC(=O)CSCCF 62a_100011217306_100000182744 [0,0,0,0,0,0|3,0,0]=3 490 B11R0.140 CCCCNC(=O)CSCCO 62a_100000182744_100000211926 [0,0,0,0,0,0|3,0,0]=3 491 B11R0.140 CCCCNC(=O)CSCCO 62a_100000211926_100000182744 [0,0,0,0,0,0|3,0,0]=3 492 B11R0.140 CCCCNC(=O)CSCOC 62a_100000182744_100000766300 [0,0,0,0,0,0|3,0,0]=3 493 B11R0.140 CCCCNC(=O)CSCOC 62a_100000766300_100000182744 [0,0,0,0,0,0|3,0,0]=3 494 B11R0.140 CCCCNC(=O)CSCSC 62a_100000182744_100011218213 [0,0,0,0,0,0|3,0,0]=3 495 B11R0.140 CCCCNC(=O)CSCSC 62a_100011218213_100000182744 [0,0,0,0,0,0|3,0,0]=3 496 B11R0.140 CCCCNC(=O)NCCC#N 2708a_100000102301_100000720768 [0,0,0,0,0,0|3,0,1]=4 497 B11R0.140 CCCCNC(=O)NCCC#N 2708a_100000720768_100000102301 [0,0,0,0,0,0|3,0,1]=4 498 B11R0.140 CCCCNC(=O)NCCC#N 273464a_100000102301_100000720768 [0,0,0,0,0,0|3,0,1]=4 499 B11R0.140 CCCCNC(=O)NCCC#N 273464a_100000720768_100000102301 [0,0,0,0,0,0|3,0,1]=4 500 B11R0.140 CCCCNC(=O)NCCC#N 512a_100000102301_100000720768 [0,0,0,0,0,0|3,0,1]=4 501 B11R0.140 CCCCNC(=O)NCCC#N 512a_100000720768_100000102301 [0,0,0,0,0,0|3,0,1]=4 502 B11R0.140 CCCCNC(=O)NCCCC 2708a_100000102301_100000102301 [0,0,0,0,0,0|2,0,0]=2 503 B11R0.140 CCCCNC(=O)NCCCC 273464a_100000102301_100000102301 [0,0,0,0,0,0|2,0,0]=2 504 B11R0.140 CCCCNC(=O)NCCCC 512a_100000102301_100000102301 [0,0,0,0,0,0|2,0,0]=2 505 B11R0.140 CCCCNC(=O)NCCCF 2708a_100000102301_100015189416 [0,0,0,0,0,0|3,0,0]=3 506 B11R0.140 CCCCNC(=O)NCCCF 2708a_100015189416_100000102301 [0,0,0,0,0,0|3,0,0]=3 507 B11R0.140 CCCCNC(=O)NCCCF 273464a_100000102301_100015189416 [0,0,0,0,0,0|3,0,0]=3 508 B11R0.140 CCCCNC(=O)NCCCF 273464a_100015189416_100000102301 [0,0,0,0,0,0|3,0,0]=3 509 B11R0.140 CCCCNC(=O)NCCCF 512a_100000102301_100015189416 [0,0,0,0,0,0|3,0,0]=3 510 B11R0.140 CCCCNC(=O)NCCCF 512a_100015189416_100000102301 [0,0,0,0,0,0|3,0,0]=3 511 B11R0.140 CCCCNC(=O)NCCCO 2708a_100000102301_100000182051 [0,0,0,0,0,0|3,0,0]=3 512 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000102301_100000182051 [0,0,0,0,0,0|3,0,0]=3 513 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000182051_100000102301 [0,0,0,0,0,0|3,0,0]=3 514 B11R0.140 CCCCNC(=O)NCCCO 512a_100000102301_100000182051 [0,0,0,0,0,0|3,0,0]=3 515 B11R0.140 CCCCNC(=O)NCCOC 2708a_100000102301_100000209980 [0,0,0,0,0,0|3,0,0]=3 516 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000102301_100000209980 [0,0,0,0,0,0|3,0,0]=3 517 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000209980_100000102301 [0,0,0,0,0,0|3,0,0]=3 518 B11R0.140 CCCCNC(=O)NCCSC 2708a_100000102301_100020590264 [0,0,0,0,0,0|3,0,0]=3 519 B11R0.140 CCCCNC(=O)NCCSC 2708a_100020590264_100000102301 [0,0,0,0,0,0|3,0,0]=3 520 B11R0.140 CCCCNC(=O)NCCSC 273464a_100000102301_100020590264 [0,0,0,0,0,0|3,0,0]=3 521 B11R0.140 CCCCNC(=O)NCCSC 273464a_100020590264_100000102301 [0,0,0,0,0,0|3,0,0]=3 522 B11R0.140 CCCCNC(=O)NCCSC 512a_100000102301_100020590264 [0,0,0,0,0,0|3,0,0]=3 523 B11R0.140 CCCCNC(=O)NCCSC 512a_100020590264_100000102301 [0,0,0,0,0,0|3,0,0]=3 524 B11R0.140 CCCCNC(=O)NNCCC 273464a_100000102301_100000740057 [0,0,0,0,0,0|3,0,0]=3 525 B11R0.140 CCCCNC(=O)NNCCC 512a_100000102301_100000740057 [0,0,0,0,0,0|3,0,0]=3 526 B11R0.140 CCCCNC(=O)NNCCC 512a_100000740057_100000102301 [0,0,0,0,0,0|3,0,0]=3 527 B11R0.140 CCCCNC(=O)NNCCO 273464a_100000102301_100000210001 [0,0,0,0,0,0|4,0,0]=4 528 B11R0.140 CCCCNC(=O)NNCCO 512a_100000102301_100000210001 [0,0,0,0,0,0|4,0,0]=4 529 B11R0.140 CCCCNC(C)CCCSC 270004a_100000102301_100011399439 [0,0,0,0,0,0|3,0,1]=4 530 B11R0.140 CCCCNC(C)CCOCC 270004a_100000102301_200011216536 [0,0,0,0,0,0|3,0,1]=4 531 B11R0.140 CCCCNC(C)CSCCC 270004a_100000102301_100011343953 [0,0,0,0,0,0|3,0,1]=4 532 B11R0.140 CCCCOC(=O)CNCCF 34a_100000724931_100000211628 [0,0,0,0,0,0|2,0,0]=2 533 B11R0.140 CCCCOC(=O)CNCCO 2230a_100016997473_100000211628 [0,0,0,0,0,0|2,0,0]=2 534 B11R0.140 CCCCOC(=O)CNCCO 34a_100016990907_100000211628 [0,0,0,0,0,0|2,0,0]=2 535 B11R0.140 CCCCOC(=O)COCCBr 34a_100000211926_100000211628 [0,0,0,0,0,0|2,0,0]=2 536 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [0,0,0,0,0,0|1,0,0]=1 537 B11R0.140 CCCCOC(=O)COCCN 34a_100000210304_100000211628 [0,0,0,0,0,0|2,0,0]=2 538 B11R0.140 CCCCOC(=O)CSCC#N 62a_100000211628_100011215382 [0,0,0,0,0,0|2,0,1]=3 539 B11R0.140 CCCCOC(=O)CSCC#N 62a_100011215382_100000211628 [0,0,0,0,0,0|2,0,1]=3 540 B11R0.140 CCCCOC(=O)CSCC=O 62a_100000211628_200015260668 [0,0,0,0,0,0|2,0,1]=3 541 B11R0.140 CCCCOC(=O)CSCC=O 62a_200015260668_100000211628 [0,0,0,0,0,0|2,0,1]=3 542 B11R0.140 CCCCOC(=O)CSCCC 62a_100000210303_100000211628 [0,0,0,0,0,0|1,0,0]=1 543 B11R0.140 CCCCOC(=O)CSCCC 62a_100000211628_100000210303 [0,0,0,0,0,0|1,0,0]=1 544 B11R0.140 CCCCOC(=O)CSCCF 62a_100000211628_100011217306 [0,0,0,0,0,0|2,0,0]=2 545 B11R0.140 CCCCOC(=O)CSCCF 62a_100011217306_100000211628 [0,0,0,0,0,0|2,0,0]=2 546 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211628_100000211926 [0,0,0,0,0,0|2,0,0]=2 547 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211926_100000211628 [0,0,0,0,0,0|2,0,0]=2 548 B11R0.140 CCCCOC(=O)CSCOC 62a_100000211628_100000766300 [0,0,0,0,0,0|2,0,0]=2 549 B11R0.140 CCCCOC(=O)CSCOC 62a_100000766300_100000211628 [0,0,0,0,0,0|2,0,0]=2 550 B11R0.140 CCCCOC(=O)CSCSC 62a_100000211628_100011218213 [0,0,0,0,0,0|2,0,0]=2 551 B11R0.140 CCCCOC(=O)CSCSC 62a_100011218213_100000211628 [0,0,0,0,0,0|2,0,0]=2 552 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [0,0,0,0,0,0|2,0,1]=3 553 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [0,0,0,0,0,0|2,0,1]=3 554 B11R0.140 CCCNCC(=O)NCCOC 2230a_100000754632_100000210303 [0,0,0,0,0,0|3,0,0]=3 555 B11R0.140 CCCNN=C(C)CCCSC 4a_100000740057_100011399439 [0,0,0,0,0,0|4,0,0]=4 556 B11R0.140 CCCNN=C(C)CCOCC 4a_100000740057_200011216536 [0,0,0,0,0,0|4,0,0]=4 557 B11R0.140 CCCNN=C(C)CSCCC 4a_100000740057_100011343953 [0,0,0,0,0,0|4,0,0]=4 558 B11R0.140 CCCNNC(=O)CCCC#N 22a_100000740057_100000075515 [0,0,0,0,0,0|3,0,1]=4 559 B11R0.140 CCCNNC(=O)CCCOC 22a_100000740057_100000741012 [0,0,0,0,0,0|3,0,0]=3 560 B11R0.140 CCCNNC(=O)CCCSC 22a_100000740057_100000173376 [0,0,0,0,0,0|3,0,0]=3 561 B11R0.140 CCCNNC(=O)CCOCC 22a_100000740057_100000749530 [0,0,0,0,0,0|3,0,0]=3 562 B11R0.140 CCCNNC(=O)CCSCC 22a_100000740057_100000230768 [0,0,0,0,0,0|3,0,0]=3 563 B11R0.140 CCCNNC(=O)COCCC 22a_100000740057_100000745993 [0,0,0,0,0,0|3,0,0]=3 564 B11R0.140 CCCNNC(=O)CSCCC 22a_100000740057_100000217233 [0,0,0,0,0,0|3,0,0]=3 565 B11R0.140 CCCNNC(=O)NCCCF 273464a_100015189416_100000740057 [0,0,0,0,0,0|4,0,0]=4 566 B11R0.140 CCCNNC(=O)NCCCF 512a_100000740057_100015189416 [0,0,0,0,0,0|4,0,0]=4 567 B11R0.140 CCCNNC(=O)NCCCF 512a_100015189416_100000740057 [0,0,0,0,0,0|4,0,0]=4 568 B11R0.140 CCCNNC(=O)NCCCO 273464a_100000182051_100000740057 [0,0,0,0,0,0|4,0,0]=4 569 B11R0.140 CCCNNC(=O)NCCCO 512a_100000740057_100000182051 [0,0,0,0,0,0|4,0,0]=4 570 B11R0.140 CCCNNC(=O)NCCOC 273464a_100000209980_100000740057 [0,0,0,0,0,0|4,0,0]=4 571 B11R0.140 CCCNNC(=O)NCCSC 273464a_100020590264_100000740057 [0,0,0,0,0,0|4,0,0]=4 572 B11R0.140 CCCNNC(=O)NCCSC 512a_100000740057_100020590264 [0,0,0,0,0,0|4,0,0]=4 573 B11R0.140 CCCNNC(=O)NCCSC 512a_100020590264_100000740057 [0,0,0,0,0,0|4,0,0]=4 574 B11R0.140 CCCNNC(=O)NNCCC 512a_100000740057_100000740057 [0,0,0,0,0,0|4,0,0]=4 575 B11R0.140 CCCOCC(=O)CCCC#N 1458a_100000745993_100000211468 [0,0,0,0,0,0|3,0,1]=4 576 B11R0.140 CCCOCC(=O)CCCCF 1458a_100000745993_100000729493 [0,0,0,0,0,0|3,0,0]=3 577 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [0,0,0,0,0,0|3,0,0]=3 578 B11R0.140 CCCOCC(=O)CCCOC 1458a_100000745993_100000740836 [0,0,0,0,0,0|3,0,0]=3 579 B11R0.140 CCCOCC(=O)CCOCC 1458a_100000745993_100011215890 [0,0,0,0,0,0|3,0,0]=3 580 B11R0.140 CCCOCC(=O)CCSCC 1458a_100000745993_100000757381 [0,0,0,0,0,0|3,0,0]=3 581 B11R0.140 CCCOCC(=O)NCCC#N 11a_100000720768_100000745993 [0,0,0,0,0,0|3,0,1]=4 582 B11R0.140 CCCOCC(=O)NCCC#N 1626a_100000720768_100000745993 [0,0,0,0,0,0|3,0,1]=4 583 B11R0.140 CCCOCC(=O)NCCC#N 240690a_100000720768_100000745993 [0,0,0,0,0,0|3,0,1]=4 584 B11R0.140 CCCOCC(=O)NCCC#N 527a_100000720768_100000745993 [0,0,0,0,0,0|3,0,1]=4 585 B11R0.140 CCCOCC(=O)NCCCF 11a_100015189416_100000745993 [0,0,0,0,0,0|3,0,0]=3 586 B11R0.140 CCCOCC(=O)NCCCF 1626a_100015189416_100000745993 [0,0,0,0,0,0|3,0,0]=3 587 B11R0.140 CCCOCC(=O)NCCCF 240690a_100015189416_100000745993 [0,0,0,0,0,0|3,0,0]=3 588 B11R0.140 CCCOCC(=O)NCCCF 527a_100015189416_100000745993 [0,0,0,0,0,0|3,0,0]=3 589 B11R0.140 CCCOCC(=O)NCCCO 240690a_100000182051_100000745993 [0,0,0,0,0,0|3,0,0]=3 590 B11R0.140 CCCOCC(=O)NCCCO 527a_100000182051_100000745993 [0,0,0,0,0,0|3,0,0]=3 591 B11R0.140 CCCOCC(=O)NCCOC 1626a_100000209980_100000745993 [0,0,0,0,0,0|3,0,0]=3 592 B11R0.140 CCCOCC(=O)NCCOC 240690a_100000209980_100000745993 [0,0,0,0,0,0|3,0,0]=3 593 B11R0.140 CCCOCC(=O)NCCOC 34a_100000210258_100000183275 [0,0,0,0,0,0|3,0,0]=3 594 B11R0.140 CCCOCC(=O)NCCOC 527a_100000209980_100000745993 [0,0,0,0,0,0|3,0,0]=3 595 B11R0.140 CCCOCC(=O)NCCSC 11a_100020590264_100000745993 [0,0,0,0,0,0|3,0,0]=3 596 B11R0.140 CCCOCC(=O)NCCSC 1626a_100020590264_100000745993 [0,0,0,0,0,0|3,0,0]=3 597 B11R0.140 CCCOCC(=O)NCCSC 240690a_100020590264_100000745993 [0,0,0,0,0,0|3,0,0]=3 598 B11R0.140 CCCOCC(=O)NCCSC 527a_100020590264_100000745993 [0,0,0,0,0,0|3,0,0]=3 599 B11R0.140 CCCOCC(=O)NNCCO 22a_100000210001_100000745993 [0,0,0,0,0,0|4,0,0]=4 600 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [0,0,0,0,0,0|2,0,0]=2 601 B11R0.140 CCCSCC(=O)CCCC#N 1458a_100000217233_100000211468 [0,0,0,0,0,0|3,0,1]=4 602 B11R0.140 CCCSCC(=O)CCCCF 1458a_100000217233_100000729493 [0,0,0,0,0,0|3,0,0]=3 603 B11R0.140 CCCSCC(=O)CCCCO 1458a_100000217233_100000210776 [0,0,0,0,0,0|3,0,0]=3 604 B11R0.140 CCCSCC(=O)CCCOC 1458a_100000217233_100000740836 [0,0,0,0,0,0|3,0,0]=3 605 B11R0.140 CCCSCC(=O)CCOCC 1458a_100000217233_100011215890 [0,0,0,0,0,0|3,0,0]=3 606 B11R0.140 CCCSCC(=O)CCSCC 1458a_100000217233_100000757381 [0,0,0,0,0,0|3,0,0]=3 607 B11R0.140 CCCSCC(=O)NCCC#N 11a_100000720768_100000217233 [0,0,0,0,0,0|3,0,1]=4 608 B11R0.140 CCCSCC(=O)NCCC#N 1626a_100000720768_100000217233 [0,0,0,0,0,0|3,0,1]=4 609 B11R0.140 CCCSCC(=O)NCCC#N 240690a_100000720768_100000217233 [0,0,0,0,0,0|3,0,1]=4 610 B11R0.140 CCCSCC(=O)NCCC#N 527a_100000720768_100000217233 [0,0,0,0,0,0|3,0,1]=4 611 B11R0.140 CCCSCC(=O)NCCCF 11a_100015189416_100000217233 [0,0,0,0,0,0|3,0,0]=3 612 B11R0.140 CCCSCC(=O)NCCCF 1626a_100015189416_100000217233 [0,0,0,0,0,0|3,0,0]=3 613 B11R0.140 CCCSCC(=O)NCCCF 240690a_100015189416_100000217233 [0,0,0,0,0,0|3,0,0]=3 614 B11R0.140 CCCSCC(=O)NCCCF 527a_100015189416_100000217233 [0,0,0,0,0,0|3,0,0]=3 615 B11R0.140 CCCSCC(=O)NCCCO 240690a_100000182051_100000217233 [0,0,0,0,0,0|3,0,0]=3 616 B11R0.140 CCCSCC(=O)NCCCO 527a_100000182051_100000217233 [0,0,0,0,0,0|3,0,0]=3 617 B11R0.140 CCCSCC(=O)NCCOC 1626a_100000209980_100000217233 [0,0,0,0,0,0|3,0,0]=3 618 B11R0.140 CCCSCC(=O)NCCOC 240690a_100000209980_100000217233 [0,0,0,0,0,0|3,0,0]=3 619 B11R0.140 CCCSCC(=O)NCCOC 527a_100000209980_100000217233 [0,0,0,0,0,0|3,0,0]=3 620 B11R0.140 CCCSCC(=O)NCCOC 62a_100000183275_100000210303 [0,0,0,0,0,0|3,0,0]=3 621 B11R0.140 CCCSCC(=O)NCCOC 62a_100000210303_100000183275 [0,0,0,0,0,0|3,0,0]=3 622 B11R0.140 CCCSCC(=O)NCCSC 11a_100020590264_100000217233 [0,0,0,0,0,0|3,0,0]=3 623 B11R0.140 CCCSCC(=O)NCCSC 1626a_100020590264_100000217233 [0,0,0,0,0,0|3,0,0]=3 624 B11R0.140 CCCSCC(=O)NCCSC 240690a_100020590264_100000217233 [0,0,0,0,0,0|3,0,0]=3 625 B11R0.140 CCCSCC(=O)NCCSC 527a_100020590264_100000217233 [0,0,0,0,0,0|3,0,0]=3 626 B11R0.140 CCCSCC(=O)NNCCO 22a_100000210001_100000217233 [0,0,0,0,0,0|4,0,0]=4 627 B11R0.140 CCCSCC(=O)OCCOC 62a_100000210303_200000040189 [0,0,0,0,0,0|2,0,0]=2 628 B11R0.140 CCCSCC(=O)OCCOC 62a_200000040189_100000210303 [0,0,0,0,0,0|2,0,0]=2 629 B11R0.140 CCOC=CC(=O)CCCCF 1458a_100016266692_100000729493 [0,0,0,0,0,0|3,0,1]=4 630 B11R0.140 CCOC=CC(=O)CCCCO 1458a_100016266692_100000210776 [0,0,0,0,0,0|3,0,1]=4 631 B11R0.140 CCOC=CC(=O)CCCOC 1458a_100016266692_100000740836 [0,0,0,0,0,0|3,0,1]=4 632 B11R0.140 CCOC=CC(=O)CCOCC 1458a_100016266692_100011215890 [0,0,0,0,0,0|3,0,1]=4 633 B11R0.140 CCOC=CC(=O)CCSCC 1458a_100016266692_100000757381 [0,0,0,0,0,0|3,0,1]=4 634 B11R0.140 CCOCCC(=O)C=CCOC 1458a_100016285016_100011215890 [0,0,0,0,0,0|3,0,1]=4 635 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000075515_100011215890 [0,0,0,0,0,0|3,0,1]=4 636 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000749530_100000211468 [0,0,0,0,0,0|3,0,1]=4 637 B11R0.140 CCOCCC(=O)CCCCF 1458a_100000749530_100000729493 [0,0,0,0,0,0|3,0,0]=3 638 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [0,0,0,0,0,0|3,0,0]=3 639 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [0,0,0,0,0,0|3,0,0]=3 640 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000741012_100011215890 [0,0,0,0,0,0|3,0,0]=3 641 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000749530_100000740836 [0,0,0,0,0,0|3,0,0]=3 642 B11R0.140 CCOCCC(=O)CCCSC 1458a_100000173376_100011215890 [0,0,0,0,0,0|3,0,0]=3 643 B11R0.140 CCOCCC(=O)CCOCC 1458a_100000749530_100011215890 [0,0,0,0,0,0|3,0,0]=3 644 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000230768_100011215890 [0,0,0,0,0,0|3,0,0]=3 645 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000749530_100000757381 [0,0,0,0,0,0|3,0,0]=3 646 B11R0.140 CCOCCC(=O)COCCO 1458a_100000708028_100011215890 [0,0,0,0,0,0|4,0,0]=4 647 B11R0.140 CCOCCC(=O)NCCC#N 11a_100000720768_100000749530 [0,0,0,0,0,0|3,0,1]=4 648 B11R0.140 CCOCCC(=O)NCCC#N 1626a_100000720768_100000749530 [0,0,0,0,0,0|3,0,1]=4 649 B11R0.140 CCOCCC(=O)NCCC#N 240690a_100000720768_100000749530 [0,0,0,0,0,0|3,0,1]=4 650 B11R0.140 CCOCCC(=O)NCCC#N 527a_100000720768_100000749530 [0,0,0,0,0,0|3,0,1]=4 651 B11R0.140 CCOCCC(=O)NCCCF 11a_100015189416_100000749530 [0,0,0,0,0,0|3,0,0]=3 652 B11R0.140 CCOCCC(=O)NCCCF 1626a_100015189416_100000749530 [0,0,0,0,0,0|3,0,0]=3 653 B11R0.140 CCOCCC(=O)NCCCF 240690a_100015189416_100000749530 [0,0,0,0,0,0|3,0,0]=3 654 B11R0.140 CCOCCC(=O)NCCCF 527a_100015189416_100000749530 [0,0,0,0,0,0|3,0,0]=3 655 B11R0.140 CCOCCC(=O)NCCCO 240690a_100000182051_100000749530 [0,0,0,0,0,0|3,0,0]=3 656 B11R0.140 CCOCCC(=O)NCCCO 527a_100000182051_100000749530 [0,0,0,0,0,0|3,0,0]=3 657 B11R0.140 CCOCCC(=O)NCCOC 1626a_100000209980_100000749530 [0,0,0,0,0,0|3,0,0]=3 658 B11R0.140 CCOCCC(=O)NCCOC 240690a_100000209980_100000749530 [0,0,0,0,0,0|3,0,0]=3 659 B11R0.140 CCOCCC(=O)NCCOC 527a_100000209980_100000749530 [0,0,0,0,0,0|3,0,0]=3 660 B11R0.140 CCOCCC(=O)NCCSC 11a_100020590264_100000749530 [0,0,0,0,0,0|3,0,0]=3 661 B11R0.140 CCOCCC(=O)NCCSC 1626a_100020590264_100000749530 [0,0,0,0,0,0|3,0,0]=3 662 B11R0.140 CCOCCC(=O)NCCSC 240690a_100020590264_100000749530 [0,0,0,0,0,0|3,0,0]=3 663 B11R0.140 CCOCCC(=O)NCCSC 527a_100020590264_100000749530 [0,0,0,0,0,0|3,0,0]=3 664 B11R0.140 CCOCCC(=O)NNCCO 22a_100000210001_100000749530 [0,0,0,0,0,0|4,0,0]=4 665 B11R0.140 CCSCCC(=O)C=CCOC 1458a_100016285016_100000757381 [0,0,0,0,0,0|3,0,1]=4 666 B11R0.140 CCSCCC(=O)CCCC#N 1458a_100000075515_100000757381 [0,0,0,0,0,0|3,0,1]=4 667 B11R0.140 CCSCCC(=O)CCCC#N 1458a_100000230768_100000211468 [0,0,0,0,0,0|3,0,1]=4 668 B11R0.140 CCSCCC(=O)CCCCF 1458a_100000230768_100000729493 [0,0,0,0,0,0|3,0,0]=3 669 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000230768_100000210776 [0,0,0,0,0,0|3,0,0]=3 670 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000695505_100000757381 [0,0,0,0,0,0|3,0,0]=3 671 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000230768_100000740836 [0,0,0,0,0,0|3,0,0]=3 672 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000741012_100000757381 [0,0,0,0,0,0|3,0,0]=3 673 B11R0.140 CCSCCC(=O)CCCSC 1458a_100000173376_100000757381 [0,0,0,0,0,0|3,0,0]=3 674 B11R0.140 CCSCCC(=O)CCSCC 1458a_100000230768_100000757381 [0,0,0,0,0,0|3,0,0]=3 675 B11R0.140 CCSCCC(=O)COCCO 1458a_100000708028_100000757381 [0,0,0,0,0,0|4,0,0]=4 676 B11R0.140 CCSCCC(=O)NCCC#N 11a_100000720768_100000230768 [0,0,0,0,0,0|3,0,1]=4 677 B11R0.140 CCSCCC(=O)NCCC#N 1626a_100000720768_100000230768 [0,0,0,0,0,0|3,0,1]=4 678 B11R0.140 CCSCCC(=O)NCCC#N 240690a_100000720768_100000230768 [0,0,0,0,0,0|3,0,1]=4 679 B11R0.140 CCSCCC(=O)NCCC#N 527a_100000720768_100000230768 [0,0,0,0,0,0|3,0,1]=4 680 B11R0.140 CCSCCC(=O)NCCCF 11a_100015189416_100000230768 [0,0,0,0,0,0|3,0,0]=3 681 B11R0.140 CCSCCC(=O)NCCCF 1626a_100015189416_100000230768 [0,0,0,0,0,0|3,0,0]=3 682 B11R0.140 CCSCCC(=O)NCCCF 240690a_100015189416_100000230768 [0,0,0,0,0,0|3,0,0]=3 683 B11R0.140 CCSCCC(=O)NCCCF 527a_100015189416_100000230768 [0,0,0,0,0,0|3,0,0]=3 684 B11R0.140 CCSCCC(=O)NCCCO 240690a_100000182051_100000230768 [0,0,0,0,0,0|3,0,0]=3 685 B11R0.140 CCSCCC(=O)NCCCO 527a_100000182051_100000230768 [0,0,0,0,0,0|3,0,0]=3 686 B11R0.140 CCSCCC(=O)NCCOC 1626a_100000209980_100000230768 [0,0,0,0,0,0|3,0,0]=3 687 B11R0.140 CCSCCC(=O)NCCOC 240690a_100000209980_100000230768 [0,0,0,0,0,0|3,0,0]=3 688 B11R0.140 CCSCCC(=O)NCCOC 527a_100000209980_100000230768 [0,0,0,0,0,0|3,0,0]=3 689 B11R0.140 CCSCCC(=O)NCCSC 11a_100020590264_100000230768 [0,0,0,0,0,0|3,0,0]=3 690 B11R0.140 CCSCCC(=O)NCCSC 1626a_100020590264_100000230768 [0,0,0,0,0,0|3,0,0]=3 691 B11R0.140 CCSCCC(=O)NCCSC 240690a_100020590264_100000230768 [0,0,0,0,0,0|3,0,0]=3 692 B11R0.140 CCSCCC(=O)NCCSC 527a_100020590264_100000230768 [0,0,0,0,0,0|3,0,0]=3 693 B11R0.140 CCSCCC(=O)NNCCO 22a_100000210001_100000230768 [0,0,0,0,0,0|4,0,0]=4 694 B11R0.140 COCC=CC(=O)CCCCF 1458a_100016285016_100000729493 [0,0,0,0,0,0|3,0,1]=4 695 B11R0.140 COCC=CC(=O)CCCCO 1458a_100016285016_100000210776 [0,0,0,0,0,0|3,0,1]=4 696 B11R0.140 COCC=CC(=O)CCCOC 1458a_100016285016_100000740836 [0,0,0,0,0,0|3,0,1]=4 697 B11R0.140 COCCCC(=O)CCCC#N 1458a_100000075515_100000740836 [0,0,0,0,0,0|3,0,1]=4 698 B11R0.140 COCCCC(=O)CCCC#N 1458a_100000741012_100000211468 [0,0,0,0,0,0|3,0,1]=4 699 B11R0.140 COCCCC(=O)CCCCF 1458a_100000741012_100000729493 [0,0,0,0,0,0|3,0,0]=3 700 B11R0.140 COCCCC(=O)CCCCO 1458a_100000695505_100000740836 [0,0,0,0,0,0|3,0,0]=3 701 B11R0.140 COCCCC(=O)CCCCO 1458a_100000741012_100000210776 [0,0,0,0,0,0|3,0,0]=3 702 B11R0.140 COCCCC(=O)CCCOC 1458a_100000741012_100000740836 [0,0,0,0,0,0|3,0,0]=3 703 B11R0.140 COCCCC(=O)CCCSC 1458a_100000173376_100000740836 [0,0,0,0,0,0|3,0,0]=3 704 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [0,0,0,0,0,0|4,0,0]=4 705 B11R0.140 COCCCC(=O)NCCC#N 11a_100000720768_100000741012 [0,0,0,0,0,0|3,0,1]=4 706 B11R0.140 COCCCC(=O)NCCC#N 1626a_100000720768_100000741012 [0,0,0,0,0,0|3,0,1]=4 707 B11R0.140 COCCCC(=O)NCCC#N 240690a_100000720768_100000741012 [0,0,0,0,0,0|3,0,1]=4 708 B11R0.140 COCCCC(=O)NCCC#N 527a_100000720768_100000741012 [0,0,0,0,0,0|3,0,1]=4 709 B11R0.140 COCCCC(=O)NCCCF 11a_100015189416_100000741012 [0,0,0,0,0,0|3,0,0]=3 710 B11R0.140 COCCCC(=O)NCCCF 1626a_100015189416_100000741012 [0,0,0,0,0,0|3,0,0]=3 711 B11R0.140 COCCCC(=O)NCCCF 240690a_100015189416_100000741012 [0,0,0,0,0,0|3,0,0]=3 712 B11R0.140 COCCCC(=O)NCCCF 527a_100015189416_100000741012 [0,0,0,0,0,0|3,0,0]=3 713 B11R0.140 COCCCC(=O)NCCCO 240690a_100000182051_100000741012 [0,0,0,0,0,0|3,0,0]=3 714 B11R0.140 COCCCC(=O)NCCCO 527a_100000182051_100000741012 [0,0,0,0,0,0|3,0,0]=3 715 B11R0.140 COCCCC(=O)NCCOC 1626a_100000209980_100000741012 [0,0,0,0,0,0|3,0,0]=3 716 B11R0.140 COCCCC(=O)NCCOC 240690a_100000209980_100000741012 [0,0,0,0,0,0|3,0,0]=3 717 B11R0.140 COCCCC(=O)NCCOC 527a_100000209980_100000741012 [0,0,0,0,0,0|3,0,0]=3 718 B11R0.140 COCCCC(=O)NCCSC 11a_100020590264_100000741012 [0,0,0,0,0,0|3,0,0]=3 719 B11R0.140 COCCCC(=O)NCCSC 1626a_100020590264_100000741012 [0,0,0,0,0,0|3,0,0]=3 720 B11R0.140 COCCCC(=O)NCCSC 240690a_100020590264_100000741012 [0,0,0,0,0,0|3,0,0]=3 721 B11R0.140 COCCCC(=O)NCCSC 527a_100020590264_100000741012 [0,0,0,0,0,0|3,0,0]=3 722 B11R0.140 COCCCC(=O)NNCCO 22a_100000210001_100000741012 [0,0,0,0,0,0|4,0,0]=4 723 B11R0.140 COCCCC(C)OCCCF 34a_200011539412_100011934791 [0,0,0,0,0,0|3,0,1]=4 724 B11R0.140 COCCCC(C)OCCCF 7a_200011539412_100011934791 [0,0,0,0,0,0|3,0,1]=4 725 B11R0.140 COCCCC(C)OCCCO 34a_200011539412_100000230001 [0,0,0,0,0,0|3,0,1]=4 726 B11R0.140 COCCCC(C)OCCCO 7a_200011539412_100011215043 [0,0,0,0,0,0|3,0,1]=4 727 B11R0.140 COCCCC(C)OCCOC 34a_200011539412_100011201679 [0,0,0,0,0,0|3,0,1]=4 728 B11R0.140 COCCCC(C)OCCOC 7a_200011539412_100000233755 [0,0,0,0,0,0|3,0,1]=4 729 B11R0.140 COCCCC(C)OCCSC 34a_200011539412_100000212216 [0,0,0,0,0,0|3,0,1]=4 730 B11R0.140 COCCCC(C)OCCSC 7a_200011539412_100000212216 [0,0,0,0,0,0|3,0,1]=4 731 B11R0.140 COCCNC(=O)CCCC#N 1626a_100000209980_100000075515 [0,0,0,0,0,0|3,0,1]=4 732 B11R0.140 COCCNC(=O)CCCC#N 240690a_100000209980_100000075515 [0,0,0,0,0,0|3,0,1]=4 733 B11R0.140 COCCNC(=O)CCCC#N 527a_100000209980_100000075515 [0,0,0,0,0,0|3,0,1]=4 734 B11R0.140 COCCNC(=O)CCCCO 1626a_100000209980_100000695505 [0,0,0,0,0,0|3,0,0]=3 735 B11R0.140 COCCNC(=O)CCCSC 1626a_100000209980_100000173376 [0,0,0,0,0,0|3,0,0]=3 736 B11R0.140 COCCNC(=O)CCCSC 240690a_100000209980_100000173376 [0,0,0,0,0,0|3,0,0]=3 737 B11R0.140 COCCNC(=O)CCCSC 527a_100000209980_100000173376 [0,0,0,0,0,0|3,0,0]=3 738 B11R0.140 COCCNC(=O)CNCCF 2230a_100000754632_100011217306 [0,0,0,0,0,0|4,0,0]=4 739 B11R0.140 COCCNC(=O)CNCCF 34a_100000724931_100000183275 [0,0,0,0,0,0|4,0,0]=4 740 B11R0.140 COCCNC(=O)CNCCO 2230a_100000754632_100000211926 [0,0,0,0,0,0|4,0,0]=4 741 B11R0.140 COCCNC(=O)CNCCO 2230a_100016997473_100000183275 [0,0,0,0,0,0|4,0,0]=4 742 B11R0.140 COCCNC(=O)CNCCO 34a_100016990907_100000183275 [0,0,0,0,0,0|4,0,0]=4 743 B11R0.140 COCCNC(=O)CNCOC 2230a_100000754632_100000766300 [0,0,0,0,0,0|4,0,0]=4 744 B11R0.140 COCCNC(=O)CNCSC 2230a_100000754632_100011218213 [0,0,0,0,0,0|4,0,0]=4 745 B11R0.140 COCCNC(=O)COCCBr 34a_100000211926_100000183275 [0,0,0,0,0,0|4,0,0]=4 746 B11R0.140 COCCNC(=O)COCCN 34a_100000210304_100000183275 [0,0,0,0,0,0|4,0,0]=4 747 B11R0.140 COCCNC(=O)COCCO 1626a_100000209980_100000708028 [0,0,0,0,0,0|4,0,0]=4 748 B11R0.140 COCCNC(=O)COCCO 240690a_100000209980_100000708028 [0,0,0,0,0,0|4,0,0]=4 749 B11R0.140 COCCNC(=O)CSCCF 62a_100000183275_100011217306 [0,0,0,0,0,0|4,0,0]=4 750 B11R0.140 COCCNC(=O)CSCCF 62a_100011217306_100000183275 [0,0,0,0,0,0|4,0,0]=4 751 B11R0.140 COCCNC(=O)CSCCO 62a_100000183275_100000211926 [0,0,0,0,0,0|4,0,0]=4 752 B11R0.140 COCCNC(=O)CSCCO 62a_100000211926_100000183275 [0,0,0,0,0,0|4,0,0]=4 753 B11R0.140 COCCNC(=O)CSCOC 62a_100000183275_100000766300 [0,0,0,0,0,0|4,0,0]=4 754 B11R0.140 COCCNC(=O)CSCOC 62a_100000766300_100000183275 [0,0,0,0,0,0|4,0,0]=4 755 B11R0.140 COCCNC(=O)CSCSC 62a_100000183275_100011218213 [0,0,0,0,0,0|4,0,0]=4 756 B11R0.140 COCCNC(=O)CSCSC 62a_100011218213_100000183275 [0,0,0,0,0,0|4,0,0]=4 757 B11R0.140 COCCNC(=O)NCCCF 2708a_100015189416_100000209980 [0,0,0,0,0,0|4,0,0]=4 758 B11R0.140 COCCNC(=O)NCCCF 273464a_100000209980_100015189416 [0,0,0,0,0,0|4,0,0]=4 759 B11R0.140 COCCNC(=O)NCCCF 273464a_100015189416_100000209980 [0,0,0,0,0,0|4,0,0]=4 760 B11R0.140 COCCNC(=O)NCCCO 273464a_100000182051_100000209980 [0,0,0,0,0,0|4,0,0]=4 761 B11R0.140 COCCNC(=O)NCCCO 273464a_100000209980_100000182051 [0,0,0,0,0,0|4,0,0]=4 762 B11R0.140 COCCNC(=O)NCCOC 273464a_100000209980_100000209980 [0,0,0,0,0,0|4,0,0]=4 763 B11R0.140 COCCNC(=O)NCCSC 2708a_100020590264_100000209980 [0,0,0,0,0,0|4,0,0]=4 764 B11R0.140 COCCNC(=O)NCCSC 273464a_100000209980_100020590264 [0,0,0,0,0,0|4,0,0]=4 765 B11R0.140 COCCNC(=O)NCCSC 273464a_100020590264_100000209980 [0,0,0,0,0,0|4,0,0]=4 766 B11R0.140 COCCOC(=O)CNCCF 34a_100000724931_200000040189 [0,0,0,0,0,0|3,0,0]=3 767 B11R0.140 COCCOC(=O)CNCCO 2230a_100016997473_200000040189 [0,0,0,0,0,0|3,0,0]=3 768 B11R0.140 COCCOC(=O)CNCCO 34a_100016990907_200000040189 [0,0,0,0,0,0|3,0,0]=3 769 B11R0.140 COCCOC(=O)COCCBr 34a_100000211926_200000040189 [0,0,0,0,0,0|3,0,0]=3 770 B11R0.140 COCCOC(=O)COCCN 34a_100000210304_200000040189 [0,0,0,0,0,0|3,0,0]=3 771 B11R0.140 COCCOC(=O)CSCC#N 62a_100011215382_200000040189 [0,0,0,0,0,0|3,0,1]=4 772 B11R0.140 COCCOC(=O)CSCC#N 62a_200000040189_100011215382 [0,0,0,0,0,0|3,0,1]=4 773 B11R0.140 COCCOC(=O)CSCC=O 62a_200000040189_200015260668 [0,0,0,0,0,0|3,0,1]=4 774 B11R0.140 COCCOC(=O)CSCC=O 62a_200015260668_200000040189 [0,0,0,0,0,0|3,0,1]=4 775 B11R0.140 COCCOC(=O)CSCCF 62a_100011217306_200000040189 [0,0,0,0,0,0|3,0,0]=3 776 B11R0.140 COCCOC(=O)CSCCF 62a_200000040189_100011217306 [0,0,0,0,0,0|3,0,0]=3 777 B11R0.140 COCCOC(=O)CSCCO 62a_100000211926_200000040189 [0,0,0,0,0,0|3,0,0]=3 778 B11R0.140 COCCOC(=O)CSCCO 62a_200000040189_100000211926 [0,0,0,0,0,0|3,0,0]=3 779 B11R0.140 COCCOC(=O)CSCOC 62a_100000766300_200000040189 [0,0,0,0,0,0|3,0,0]=3 780 B11R0.140 COCCOC(=O)CSCOC 62a_200000040189_100000766300 [0,0,0,0,0,0|3,0,0]=3 781 B11R0.140 COCCOC(=O)CSCSC 62a_100011218213_200000040189 [0,0,0,0,0,0|3,0,0]=3 782 B11R0.140 COCCOC(=O)CSCSC 62a_200000040189_100011218213 [0,0,0,0,0,0|3,0,0]=3 783 B11R0.140 CSCCCC(=O)CCCC#N 1458a_100000173376_100000211468 [0,0,0,0,0,0|3,0,1]=4 784 B11R0.140 CSCCCC(=O)CCCCF 1458a_100000173376_100000729493 [0,0,0,0,0,0|3,0,0]=3 785 B11R0.140 CSCCCC(=O)CCCCO 1458a_100000173376_100000210776 [0,0,0,0,0,0|3,0,0]=3 786 B11R0.140 CSCCCC(=O)NCCC#N 11a_100000720768_100000173376 [0,0,0,0,0,0|3,0,1]=4 787 B11R0.140 CSCCCC(=O)NCCC#N 1626a_100000720768_100000173376 [0,0,0,0,0,0|3,0,1]=4 788 B11R0.140 CSCCCC(=O)NCCC#N 240690a_100000720768_100000173376 [0,0,0,0,0,0|3,0,1]=4 789 B11R0.140 CSCCCC(=O)NCCC#N 527a_100000720768_100000173376 [0,0,0,0,0,0|3,0,1]=4 790 B11R0.140 CSCCCC(=O)NCCCF 11a_100015189416_100000173376 [0,0,0,0,0,0|3,0,0]=3 791 B11R0.140 CSCCCC(=O)NCCCF 1626a_100015189416_100000173376 [0,0,0,0,0,0|3,0,0]=3 792 B11R0.140 CSCCCC(=O)NCCCF 240690a_100015189416_100000173376 [0,0,0,0,0,0|3,0,0]=3 793 B11R0.140 CSCCCC(=O)NCCCF 527a_100015189416_100000173376 [0,0,0,0,0,0|3,0,0]=3 794 B11R0.140 CSCCCC(=O)NCCCO 240690a_100000182051_100000173376 [0,0,0,0,0,0|3,0,0]=3 795 B11R0.140 CSCCCC(=O)NCCCO 527a_100000182051_100000173376 [0,0,0,0,0,0|3,0,0]=3 796 B11R0.140 CSCCCC(=O)NCCSC 11a_100020590264_100000173376 [0,0,0,0,0,0|3,0,0]=3 797 B11R0.140 CSCCCC(=O)NCCSC 1626a_100020590264_100000173376 [0,0,0,0,0,0|3,0,0]=3 798 B11R0.140 CSCCCC(=O)NCCSC 240690a_100020590264_100000173376 [0,0,0,0,0,0|3,0,0]=3 799 B11R0.140 CSCCCC(=O)NCCSC 527a_100020590264_100000173376 [0,0,0,0,0,0|3,0,0]=3 800 B11R0.140 CSCCCC(=O)NNCCO 22a_100000210001_100000173376 [0,0,0,0,0,0|4,0,0]=4 801 B11R0.140 CSCCNC(=O)CCCC#N 11a_100020590264_100000075515 [0,0,0,0,0,0|3,0,1]=4 802 B11R0.140 CSCCNC(=O)CCCC#N 1626a_100020590264_100000075515 [0,0,0,0,0,0|3,0,1]=4 803 B11R0.140 CSCCNC(=O)CCCC#N 240690a_100020590264_100000075515 [0,0,0,0,0,0|3,0,1]=4 804 B11R0.140 CSCCNC(=O)CCCC#N 527a_100020590264_100000075515 [0,0,0,0,0,0|3,0,1]=4 805 B11R0.140 CSCCNC(=O)CCCCO 1626a_100020590264_100000695505 [0,0,0,0,0,0|3,0,0]=3 806 B11R0.140 CSCCNC(=O)COCCO 1626a_100020590264_100000708028 [0,0,0,0,0,0|4,0,0]=4 807 B11R0.140 CSCCNC(=O)COCCO 240690a_100020590264_100000708028 [0,0,0,0,0,0|4,0,0]=4 808 B11R0.140 CSCCNC(=O)NCCCF 2708a_100015189416_100020590264 [0,0,0,0,0,0|4,0,0]=4 809 B11R0.140 CSCCNC(=O)NCCCF 2708a_100020590264_100015189416 [0,0,0,0,0,0|4,0,0]=4 810 B11R0.140 CSCCNC(=O)NCCCF 273464a_100015189416_100020590264 [0,0,0,0,0,0|4,0,0]=4 811 B11R0.140 CSCCNC(=O)NCCCF 273464a_100020590264_100015189416 [0,0,0,0,0,0|4,0,0]=4 812 B11R0.140 CSCCNC(=O)NCCCF 512a_100015189416_100020590264 [0,0,0,0,0,0|4,0,0]=4 813 B11R0.140 CSCCNC(=O)NCCCF 512a_100020590264_100015189416 [0,0,0,0,0,0|4,0,0]=4 814 B11R0.140 CSCCNC(=O)NCCCO 2708a_100020590264_100000182051 [0,0,0,0,0,0|4,0,0]=4 815 B11R0.140 CSCCNC(=O)NCCCO 273464a_100000182051_100020590264 [0,0,0,0,0,0|4,0,0]=4 816 B11R0.140 CSCCNC(=O)NCCCO 273464a_100020590264_100000182051 [0,0,0,0,0,0|4,0,0]=4 817 B11R0.140 CSCCNC(=O)NCCCO 512a_100020590264_100000182051 [0,0,0,0,0,0|4,0,0]=4 818 B11R0.140 CSCCNC(=O)NCCSC 2708a_100020590264_100020590264 [0,0,0,0,0,0|4,0,0]=4 819 B11R0.140 CSCCNC(=O)NCCSC 273464a_100020590264_100020590264 [0,0,0,0,0,0|4,0,0]=4 820 B11R0.140 CSCCNC(=O)NCCSC 512a_100020590264_100020590264 [0,0,0,0,0,0|4,0,0]=4 821 B11R0.140 N#CCCCC(=O)CCCCF 1458a_100000075515_100000729493 [0,0,0,0,0,0|3,0,1]=4 822 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000075515_100000210776 [0,0,0,0,0,0|3,0,1]=4 823 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000695505_100000211468 [0,0,0,0,0,0|3,0,1]=4 824 B11R0.140 N#CCCCC(=O)NCCCF 11a_100015189416_100000075515 [0,0,0,0,0,0|3,0,1]=4 825 B11R0.140 N#CCCCC(=O)NCCCF 1626a_100015189416_100000075515 [0,0,0,0,0,0|3,0,1]=4 826 B11R0.140 N#CCCCC(=O)NCCCF 240690a_100015189416_100000075515 [0,0,0,0,0,0|3,0,1]=4 827 B11R0.140 N#CCCCC(=O)NCCCF 527a_100015189416_100000075515 [0,0,0,0,0,0|3,0,1]=4 828 B11R0.140 N#CCCCC(=O)NCCCO 240690a_100000182051_100000075515 [0,0,0,0,0,0|3,0,1]=4 829 B11R0.140 N#CCCCC(=O)NCCCO 527a_100000182051_100000075515 [0,0,0,0,0,0|3,0,1]=4 830 B11R0.140 N#CCCNC(=O)CCCCO 1626a_100000720768_100000695505 [0,0,0,0,0,0|3,0,1]=4 831 B11R0.140 O=C(CCCCF)COCCO 1458a_100000708028_100000729493 [0,0,0,0,0,0|4,0,0]=4 832 B11R0.140 O=C(CCCCO)CCCCF 1458a_100000695505_100000729493 [0,0,0,0,0,0|3,0,0]=3 833 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [0,0,0,0,0,0|3,0,0]=3 834 B11R0.140 O=C(CCCCO)COCCO 1458a_100000708028_100000210776 [0,0,0,0,0,0|4,0,0]=4 835 B11R0.140 O=C(CCCCO)NCCCF 1626a_100015189416_100000695505 [0,0,0,0,0,0|3,0,0]=3 836 B11R0.140 O=C(COCCO)NCCCF 1626a_100015189416_100000708028 [0,0,0,0,0,0|4,0,0]=4 837 B11R0.140 O=C(COCCO)NCCCF 240690a_100015189416_100000708028 [0,0,0,0,0,0|4,0,0]=4 838 B11R0.140 O=C(COCCO)NCCCO 240690a_100000182051_100000708028 [0,0,0,0,0,0|4,0,0]=4 839 B11R0.140 O=C(NCCCF)NCCCF 2708a_100015189416_100015189416 [0,0,0,0,0,0|4,0,0]=4 840 B11R0.140 O=C(NCCCF)NCCCF 273464a_100015189416_100015189416 [0,0,0,0,0,0|4,0,0]=4 841 B11R0.140 O=C(NCCCF)NCCCF 512a_100015189416_100015189416 [0,0,0,0,0,0|4,0,0]=4 842 B11R0.140 O=C(NCCCO)NCCCF 2708a_100015189416_100000182051 [0,0,0,0,0,0|4,0,0]=4 843 B11R0.140 O=C(NCCCO)NCCCF 273464a_100000182051_100015189416 [0,0,0,0,0,0|4,0,0]=4 844 B11R0.140 O=C(NCCCO)NCCCF 273464a_100015189416_100000182051 [0,0,0,0,0,0|4,0,0]=4 845 B11R0.140 O=C(NCCCO)NCCCF 512a_100015189416_100000182051 [0,0,0,0,0,0|4,0,0]=4 846 B11R0.140 O=C(NCCCO)NCCCO 273464a_100000182051_100000182051 [0,0,0,0,0,0|4,0,0]=4 847 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [1,0,0,0,0,0|0,0,3]=4 848 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [1,0,0,0,0,0|0,0,3]=4 849 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [1,0,0,0,0,0|0,0,3]=4 850 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [1,0,0,0,0,0|0,0,3]=4 851 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [1,0,0,0,0,0|0,0,3]=4 852 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [1,0,0,0,0,0|0,0,3]=4 853 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [1,0,0,0,0,0|0,0,3]=4 854 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|0,0,3]=4 855 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|0,0,3]=4 856 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|0,0,3]=4 857 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|0,0,3]=4 858 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|0,0,3]=4 859 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|0,0,3]=4 860 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|0,0,3]=4 861 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|0,0,3]=4 862 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|0,0,3]=4 863 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|0,0,3]=4 864 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,0,0,0,0,0|0,0,3]=4 865 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,0,0,0,0,0|0,0,3]=4 866 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,0,0,0,0,0|0,0,3]=4 867 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,0,0,0,0,0|0,0,3]=4 868 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,0,0,0,0,0|0,0,3]=4 869 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,0,0,0,0,0|0,0,3]=4 870 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,0,0,0,0,0|0,0,3]=4 871 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|0,0,3]=4 872 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|0,0,3]=4 873 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|0,0,3]=4 874 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [1,0,0,0,0,0|0,0,3]=4 875 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [1,0,0,0,0,0|0,0,3]=4 876 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,0,0,0,0,0|0,0,3]=4 877 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,0,0,0,0,0|0,0,3]=4 878 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [1,0,0,0,0,0|0,0,3]=4 879 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [1,0,0,0,0,0|0,0,3]=4 880 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [1,0,0,0,0,0|2,0,0]=3 881 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [1,0,0,0,0,0|2,0,0]=3 882 B10R0.71 CCCC/C=C/COCCF 34a_200016272032_100011217306 [1,0,0,0,0,0|3,0,0]=4 883 B10R0.71 CCCC/C=C/COCCF 7a_200016272032_100011217306 [1,0,0,0,0,0|3,0,0]=4 884 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [1,0,0,0,0,0|3,0,0]=4 885 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [1,0,0,0,0,0|3,0,0]=4 886 B10R0.71 CCCC/C=C/COCSC 34a_200016272032_100011218213 [1,0,0,0,0,0|3,0,0]=4 887 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,0,0,0,0,0|2,0,0]=3 888 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,0,0,0,0,0|2,0,0]=3 889 B10R0.71 CCCC/C=C\CCOCF 34a_200016286491_100015361967 [1,0,0,0,0,0|3,0,0]=4 890 B10R0.71 CCCC/C=C\CCOCF 7a_200016286491_100015361967 [1,0,0,0,0,0|3,0,0]=4 891 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [1,0,0,0,0,0|2,0,1]=4 892 B10R0.71 CCCCC#CCCCNC 2230a_106832991635_200000047210 [1,0,0,0,0,0|2,0,1]=4 893 B10R0.71 CCCCC#CCCCNC 34a_100102657272_200000047210 [1,0,0,0,0,0|2,0,1]=4 894 B10R0.71 CCCCC#CCCCNC 7a_106832991635_200000047210 [1,0,0,0,0,0|2,0,1]=4 895 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [1,0,0,0,0,0|2,0,1]=4 896 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [1,0,0,0,0,0|2,0,1]=4 897 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [1,0,0,0,0,0|2,0,1]=4 898 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [1,0,0,0,0,0|2,0,1]=4 899 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [1,0,0,0,0,0|2,0,1]=4 900 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [1,0,0,0,0,0|2,0,1]=4 901 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [1,0,0,0,0,0|2,0,1]=4 902 B10R0.71 CCCCC#CCOCCC 34a_200000034558_100000210303 [1,0,0,0,0,0|2,0,1]=4 903 B10R0.71 CCCCC#CCOCCC 7a_200000034558_100000210303 [1,0,0,0,0,0|2,0,1]=4 904 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,0,0,0,0,0|2,0,0]=3 905 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,0,0,0,0,0|2,0,0]=3 906 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [1,0,0,0,0,0|3,0,0]=4 907 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [1,0,0,0,0,0|3,0,0]=4 908 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,0,0,0,0,0|2,0,0]=3 909 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,0,0,0,0,0|2,0,0]=3 910 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,0,0,0,0,0|2,0,0]=3 911 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,0,0,0,0,0|2,0,0]=3 912 B10R0.71 CCCCC=NNCCCC 4a_100025702795_100000210104 [1,0,0,0,0,0|2,0,1]=4 913 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [1,0,0,0,0,0|2,0,1]=4 914 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [1,0,0,0,0,0|2,0,1]=4 915 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [1,0,0,0,0,0|2,0,1]=4 916 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [1,0,0,0,0,0|2,0,1]=4 917 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [1,0,0,0,0,0|2,0,1]=4 918 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [1,0,0,0,0,0|2,0,1]=4 919 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [1,0,0,0,0,0|2,0,1]=4 920 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [1,0,0,0,0,0|2,0,1]=4 921 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [1,0,0,0,0,0|2,0,1]=4 922 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [1,0,0,0,0,0|2,0,1]=4 923 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [1,0,0,0,0,0|2,0,0]=3 924 B10R0.71 CCCCCC=NNCCO 4a_100000210001_100000737632 [1,0,0,0,0,0|3,0,0]=4 925 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|2,0,1]=4 926 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|2,0,1]=4 927 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|2,0,1]=4 928 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|2,0,1]=4 929 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|2,0,1]=4 930 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|2,0,1]=4 931 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|2,0,1]=4 932 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|2,0,1]=4 933 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|2,0,1]=4 934 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|2,0,1]=4 935 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|2,0,1]=4 936 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|2,0,1]=4 937 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|2,0,1]=4 938 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|2,0,1]=4 939 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,0,0,0,0,0|2,0,1]=4 940 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,0,0,0,0,0|2,0,1]=4 941 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,0,0,0,0,0|2,0,1]=4 942 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,0,0,0,0,0|2,0,1]=4 943 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,0,0,0,0,0|2,0,1]=4 944 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,0,0,0,0,0|2,0,1]=4 945 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,0,0,0,0,0|2,0,1]=4 946 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,0,0,0,0,0|2,0,1]=4 947 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,0,0,0,0|2,0,1]=4 948 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|2,0,1]=4 949 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|2,0,1]=4 950 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|2,0,1]=4 951 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,0,0,0,0|2,0,1]=4 952 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,0,0,0,0|2,0,1]=4 953 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,0,0,0,0|1,0,1]=3 954 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,0,0,0,0|1,0,1]=3 955 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,0,0,0,0|1,0,1]=3 956 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,0,0,0,0,0|2,0,1]=4 957 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,0,0,0,0,0|2,0,1]=4 958 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,0,0,0,0,0|2,0,1]=4 959 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,0,0,0,0,0|2,0,1]=4 960 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,0,0,0,0,0|2,0,1]=4 961 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,0,0,0,0,0|2,0,1]=4 962 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,0,0,0,0,0|2,0,1]=4 963 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,0,0,0,0,0|2,0,1]=4 964 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [1,0,0,0,0,0|1,0,2]=4 965 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,0,0,0,0,0|1,0,1]=3 966 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|0,0,1]=2 967 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|0,0,1]=2 968 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|0,0,1]=2 969 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|0,0,1]=2 970 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,0,0,0,0,0|1,0,1]=3 971 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,0,0,0,0,0|1,0,1]=3 972 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,0,0,0,0,0|1,0,1]=3 973 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,0,0,0,0,0|1,0,1]=3 974 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,0,0,0,0,0|1,0,1]=3 975 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,0,0,0,0,0|1,0,1]=3 976 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,0,0,0,0,0|1,0,1]=3 977 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,0,0,0,0|1,0,1]=3 978 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,0,0,0,0|1,0,1]=3 979 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,0,0,0,0|1,0,1]=3 980 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,0,0,0,0|1,0,1]=3 981 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,0,0,0,0|1,0,1]=3 982 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,0,0,0,0,0|2,0,1]=4 983 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,0,0,0,0|1,0,1]=3 984 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,0,0,0,0|1,0,1]=3 985 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,0,0,0,0,0|1,0,1]=3 986 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,0,0,0,0,0|1,0,1]=3 987 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,0,0,0,0,0|1,0,1]=3 988 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,0,0,0,0,0|1,0,1]=3 989 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,0,0,0,0|0,1,1]=3 990 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,0,0,0,0|0,1,1]=3 991 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,0,0,0,0,0|1,1,1]=4 992 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,0,0,0,0,0|1,1,1]=4 993 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,0,0,0,0,0|1,1,1]=4 994 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,0,0,0,0,0|1,1,1]=4 995 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,0,0,0,0,0|1,1,1]=4 996 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,0,0,0,0,0|1,1,1]=4 997 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,0,0,0,0,0|1,1,1]=4 998 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,0,0,0,0,0|1,1,1]=4 999 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,0,0,0,0,0|1,1,1]=4 1000 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,0,0,0,0,0|1,1,1]=4 1001 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,0,0,0,0,0|2,0,0]=3 1002 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,0,0,0,0,0|3,0,0]=4 1003 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,0,0,0,0,0|3,0,0]=4 1004 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,0,0,0,0,0|3,0,0]=4 1005 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,0,0,0,0,0|3,0,0]=4 1006 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,0,0,0,0,0|3,0,0]=4 1007 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,0,0,0,0,0|3,0,0]=4 1008 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,0,0,0,0,0|3,0,0]=4 1009 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,0,0,0,0,0|3,0,0]=4 1010 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,0,0,0,0,0|3,0,0]=4 1011 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,0,0,0,0,0|3,0,0]=4 1012 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,0,0,0,0,0|3,0,0]=4 1013 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,0,0,0,0,0|3,0,0]=4 1014 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,0,0,0,0,0|3,0,0]=4 1015 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,0,0,0,0,0|3,0,0]=4 1016 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,0,0,0,0,0|2,0,0]=3 1017 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,0,0,0,0,0|2,0,0]=3 1018 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,0,0,0,0,0|3,0,0]=4 1019 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,0,0,0,0,0|3,0,0]=4 1020 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,0,0,0,0,0|3,0,0]=4 1021 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,0,0,0,0,0|3,0,0]=4 1022 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,0,0,0,0,0|3,0,0]=4 1023 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,0,0,0,0,0|3,0,0]=4 1024 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,0,0,0,0,0|3,0,0]=4 1025 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,0,0,0,0,0|3,0,0]=4 1026 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,0,0,0,0,0|3,0,0]=4 1027 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,0,0,0,0,0|3,0,0]=4 1028 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,0,0,0,0,0|3,0,0]=4 1029 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,0,0,0,0,0|3,0,0]=4 1030 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,0,0,0,0,0|3,0,0]=4 1031 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,0,0,0,0,0|3,0,0]=4 1032 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,0,0,0,0,0|3,0,0]=4 1033 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,0,0,0,0,0|3,0,0]=4 1034 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,0,0,0,0,0|3,0,0]=4 1035 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,0,0,0,0,0|3,0,0]=4 1036 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,0,0,0,0,0|3,0,0]=4 1037 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,0,0,0,0,0|3,0,0]=4 1038 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,0,0,0,0,0|3,0,0]=4 1039 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,0,0,0,0,0|3,0,0]=4 1040 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,0,0,0,0,0|3,0,0]=4 1041 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,0,0,0,0,0|3,0,0]=4 1042 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,0,0,0,0,0|3,0,0]=4 1043 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,0,0,0,0,0|3,0,0]=4 1044 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,0,0,0,0,0|2,0,0]=3 1045 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,0,0,0,0,0|3,0,0]=4 1046 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,0,0,0,0,0|3,0,0]=4 1047 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,0,0,0,0,0|3,0,0]=4 1048 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,0,0,0,0,0|3,0,0]=4 1049 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,0,0,0,0,0|3,0,0]=4 1050 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,0,0,0,0,0|3,0,0]=4 1051 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,0,0,0,0,0|3,0,0]=4 1052 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,0,0,0,0,0|3,0,0]=4 1053 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,0,0,0,0,0|3,0,0]=4 1054 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,0,0,0,0,0|3,0,0]=4 1055 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,0,0,0,0,0|2,0,1]=4 1056 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,0,0,0,0,0|2,0,1]=4 1057 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,0,0,0,0,0|2,0,1]=4 1058 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,0,0,0,0,0|2,0,1]=4 1059 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,0,0,0,0,0|2,0,1]=4 1060 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,0,0,0,0,0|2,0,1]=4 1061 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,0,0,0,0,0|2,0,1]=4 1062 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,0,0,0,0,0|2,0,1]=4 1063 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,0,0,0,0,0|2,0,1]=4 1064 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,0,0,0,0,0|2,0,1]=4 1065 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,0,0,0,0,0|2,0,1]=4 1066 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,0,0,0,0,0|2,0,1]=4 1067 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,0,0,0,0,0|2,0,1]=4 1068 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,0,0,0,0,0|2,0,1]=4 1069 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,0,0,0,0,0|2,0,1]=4 1070 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,0,0,0,0,0|2,0,1]=4 1071 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,0,0,0,0,0|2,0,1]=4 1072 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,0,0,0,0,0|2,0,1]=4 1073 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [1,0,0,0,0,0|2,0,1]=4 1074 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [1,0,0,0,0,0|1,0,1]=3 1075 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [1,0,0,0,0,0|2,0,1]=4 1076 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [1,0,0,0,0,0|1,0,2]=4 1077 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|1,0,2]=4 1078 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,0,0,0,0,0|1,0,1]=3 1079 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,0,0,0,0,0|1,0,1]=3 1080 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,0,0,0,0,0|1,0,1]=3 1081 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,0,0,0,0,0|1,0,1]=3 1082 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,0,0,0,0,0|1,0,1]=3 1083 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,0,0,0,0,0|1,0,1]=3 1084 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,0,0,0,0,0|1,0,1]=3 1085 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,0,0,0,0,0|1,0,1]=3 1086 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,0,0,0,0,0|1,0,1]=3 1087 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,0,0,0,0,0|1,0,1]=3 1088 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,0,0,0,0,0|1,0,1]=3 1089 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,0,0,0,0,0|1,0,1]=3 1090 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,0,0,0,0,0|1,0,1]=3 1091 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,0,0,0,0,0|1,0,1]=3 1092 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,0,0,0,0,0|1,0,1]=3 1093 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,0,0,0,0,0|1,0,1]=3 1094 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,0,0,0,0,0|1,0,1]=3 1095 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,0,0,0,0,0|1,0,1]=3 1096 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,0,0,0,0,0|1,0,1]=3 1097 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,0,0,0,0,0|1,0,1]=3 1098 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,0,0,0,0,0|1,0,1]=3 1099 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,0,0,0,0,0|1,0,1]=3 1100 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [1,0,0,0,0,0|2,0,1]=4 1101 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,0,0,0,0,0|1,0,1]=3 1102 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,0,0,0,0,0|1,0,1]=3 1103 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,0,0,0,0,0|1,0,1]=3 1104 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,0,0,0,0,0|1,0,1]=3 1105 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,0,0,0,0,0|1,0,1]=3 1106 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,0,0,0,0,0|1,0,1]=3 1107 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,0,0,0,0,0|2,0,1]=4 1108 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,0,0,0,0,0|2,0,1]=4 1109 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,0,0,0,0,0|1,0,1]=3 1110 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,0,0,0,0,0|1,0,1]=3 1111 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [1,0,0,0,0,0|2,0,1]=4 1112 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [1,0,0,0,0,0|2,0,1]=4 1113 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [1,0,0,0,0,0|2,0,1]=4 1114 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [1,0,0,0,0,0|2,0,1]=4 1115 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [1,0,0,0,0,0|2,0,1]=4 1116 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [1,0,0,0,0,0|2,0,1]=4 1117 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,0,0,0,0,0|1,0,1]=3 1118 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,0,0,0,0,0|1,0,1]=3 1119 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,0,0,0,0,0|1,0,1]=3 1120 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,0,0,0,0,0|1,0,1]=3 1121 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,0,0,0,0,0|1,0,1]=3 1122 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,0,0,0,0,0|1,0,1]=3 1123 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,0,0,0,0,0|1,0,1]=3 1124 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [1,0,0,0,0,0|2,0,1]=4 1125 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [1,0,0,0,0,0|2,0,1]=4 1126 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [1,0,0,0,0,0|2,0,1]=4 1127 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [1,0,0,0,0,0|2,0,1]=4 1128 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [1,0,0,0,0,0|2,0,1]=4 1129 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [1,0,0,0,0,0|2,0,1]=4 1130 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [1,0,0,0,0,0|2,0,1]=4 1131 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [1,0,0,0,0,0|2,0,1]=4 1132 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [1,0,0,0,0,0|2,0,1]=4 1133 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [1,0,0,0,0,0|2,0,1]=4 1134 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,0,0,0,0,0|2,0,1]=4 1135 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,0,0,0,0,0|2,0,1]=4 1136 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,0,0,0,0,0|2,0,1]=4 1137 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,0,0,0,0,0|2,0,1]=4 1138 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [1,0,0,0,0,0|2,0,1]=4 1139 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,0,0,0,0,0|1,0,1]=3 1140 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,0,0,0,0,0|1,0,1]=3 1141 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,0,0,0,0,0|1,0,1]=3 1142 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,0,0,0,0,0|1,0,1]=3 1143 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [1,0,0,0,0,0|2,0,1]=4 1144 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [1,0,0,0,0,0|2,0,1]=4 1145 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [1,0,0,0,0,0|2,0,1]=4 1146 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [1,0,0,0,0,0|2,0,1]=4 1147 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [1,0,0,0,0,0|2,0,1]=4 1148 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [1,0,0,0,0,0|2,0,1]=4 1149 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [1,0,0,0,0,0|2,0,1]=4 1150 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [1,0,0,0,0,0|2,0,1]=4 1151 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [1,0,0,0,0,0|2,0,1]=4 1152 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [1,0,0,0,0,0|2,0,1]=4 1153 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [1,0,0,0,0,0|2,0,1]=4 1154 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [1,0,0,0,0,0|2,0,1]=4 1155 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [1,0,0,0,0,0|2,0,1]=4 1156 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [1,0,0,0,0,0|1,0,1]=3 1157 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [1,0,0,0,0,0|2,0,1]=4 1158 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [1,0,0,0,0,0|2,0,1]=4 1159 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [1,0,0,0,0,0|2,0,1]=4 1160 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [1,0,0,0,0,0|2,0,1]=4 1161 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [1,0,0,0,0,0|2,0,1]=4 1162 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [1,0,0,0,0,0|1,0,1]=3 1163 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [1,0,0,0,0,0|1,0,1]=3 1164 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [1,0,0,0,0,0|2,0,1]=4 1165 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [1,0,0,0,0,0|2,0,1]=4 1166 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [1,0,0,0,0,0|2,0,1]=4 1167 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [1,0,0,0,0,0|2,0,1]=4 1168 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [1,0,0,0,0,0|2,0,1]=4 1169 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [1,0,0,0,0,0|2,0,1]=4 1170 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [1,0,0,0,0,0|2,0,1]=4 1171 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [1,0,0,0,0,0|2,0,1]=4 1172 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [1,0,0,0,0,0|2,0,1]=4 1173 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [1,0,0,0,0,0|2,0,1]=4 1174 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,0,0,0,0,0|1,1,1]=4 1175 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,0,0,0,0,0|1,1,1]=4 1176 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,0,0,0,0,0|1,1,1]=4 1177 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,0,0,0,0,0|1,1,1]=4 1178 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,0,0,0,0,0|1,1,1]=4 1179 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,0,0,0,0,0|1,1,1]=4 1180 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,0,0,0,0,0|1,1,1]=4 1181 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,0,0,0,0,0|1,1,1]=4 1182 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [1,0,0,0,0,0|1,1,1]=4 1183 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,0,0,0,0,0|1,1,1]=4 1184 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,0,0,0,0,0|1,1,1]=4 1185 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,0,0,0,0,0|1,1,1]=4 1186 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,0,0,0,0,0|1,1,1]=4 1187 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [1,0,0,0,0,0|2,0,1]=4 1188 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [1,0,0,0,0,0|2,0,1]=4 1189 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [1,0,0,0,0,0|2,0,1]=4 1190 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [1,0,0,0,0,0|2,0,1]=4 1191 B10R0.71 CCCNN=CCCCCO 4a_100000740057_100000031955 [1,0,0,0,0,0|3,0,0]=4 1192 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [1,0,0,0,0,0|2,0,1]=4 1193 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [1,0,0,0,0,0|2,0,1]=4 1194 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [1,0,0,0,0,0|2,0,1]=4 1195 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [1,0,0,0,0,0|2,0,1]=4 1196 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [1,0,0,0,0,0|2,0,1]=4 1197 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [1,0,0,0,0,0|2,0,1]=4 1198 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [1,0,0,0,0,0|2,0,1]=4 1199 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [1,0,0,0,0,0|2,0,1]=4 1200 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [1,0,0,0,0,0|2,0,1]=4 1201 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [1,0,0,0,0,0|2,0,1]=4 1202 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [1,0,0,0,0,0|2,0,1]=4 1203 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [1,0,0,0,0,0|2,0,1]=4 1204 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [1,0,0,0,0,0|2,0,1]=4 1205 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [1,0,0,0,0,0|2,0,1]=4 1206 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [1,0,0,0,0,0|2,0,1]=4 1207 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [1,0,0,0,0,0|2,0,1]=4 1208 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [1,0,0,0,0,0|2,0,1]=4 1209 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [1,0,0,0,0,0|2,0,1]=4 1210 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [1,0,0,0,0,0|2,0,1]=4 1211 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [1,0,0,0,0,0|2,0,1]=4 1212 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [1,0,0,0,0,0|2,0,1]=4 1213 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [1,0,0,0,0,0|2,0,1]=4 1214 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [1,0,0,0,0,0|2,0,1]=4 1215 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [1,0,0,0,0,0|2,0,1]=4 1216 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [1,0,0,0,0,0|2,0,1]=4 1217 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [1,0,0,0,0,0|2,0,1]=4 1218 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [1,0,0,0,0,0|2,0,1]=4 1219 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [1,0,0,0,0,0|2,0,1]=4 1220 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [1,0,0,0,0,0|2,0,1]=4 1221 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [1,0,0,0,0,0|2,0,1]=4 1222 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [1,0,0,0,0,0|2,0,1]=4 1223 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [1,0,0,0,0,0|2,0,1]=4 1224 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [1,0,0,0,0,0|2,0,1]=4 1225 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 1226 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 1227 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [1,0,0,0,0,0|2,0,1]=4 1228 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [1,0,0,0,0,0|2,0,1]=4 1229 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [1,0,0,0,0,0|2,0,1]=4 1230 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [1,0,0,0,0,0|2,0,1]=4 1231 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [1,0,0,0,0,0|2,0,1]=4 1232 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [1,0,0,0,0,0|2,0,1]=4 1233 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [1,0,0,0,0,0|2,0,1]=4 1234 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [1,0,0,0,0,0|2,0,1]=4 1235 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,0,0,0,0,0|2,0,1]=4 1236 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 1237 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,0,0,0,0,0|2,0,1]=4 1238 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,0,0,0,0,0|2,0,1]=4 1239 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,0,0,0,0,0|2,0,1]=4 1240 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,0,0,0,0,0|2,0,1]=4 1241 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,0,0,0,0,0|2,0,1]=4 1242 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,0,0,0,0,0|2,0,1]=4 1243 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,0,0,0,0,0|2,0,1]=4 1244 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,0,0,0,0,0|2,0,1]=4 1245 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,0,0,0,0,0|2,0,1]=4 1246 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,0,0,0,0,0|2,0,1]=4 1247 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [1,0,0,0,0,0|2,0,1]=4 1248 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [1,0,0,0,0,0|2,0,1]=4 1249 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [1,0,0,0,0,0|2,0,1]=4 1250 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [1,0,0,0,0,0|2,0,1]=4 1251 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [1,0,0,0,0,0|2,0,1]=4 1252 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [1,0,0,0,0,0|2,0,1]=4 1253 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [1,0,0,0,0,0|2,0,1]=4 1254 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [1,0,0,0,0,0|2,0,1]=4 1255 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [1,0,0,0,0,0|2,0,1]=4 1256 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [1,0,0,0,0,0|2,0,1]=4 1257 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [1,0,0,0,0,0|2,0,1]=4 1258 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [1,0,0,0,0,0|2,0,1]=4 1259 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [1,0,0,0,0,0|2,0,1]=4 1260 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [1,0,0,0,0,0|2,0,1]=4 1261 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [1,0,0,0,0,0|2,0,1]=4 1262 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,0,0,0,0,0|2,0,1]=4 1263 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [1,0,0,0,0,0|2,0,1]=4 1264 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [1,0,0,0,0,0|2,0,1]=4 1265 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [1,0,0,0,0,0|2,0,1]=4 1266 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [1,0,0,0,0,0|2,0,1]=4 1267 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [1,0,0,0,0,0|2,0,1]=4 1268 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [1,0,0,0,0,0|2,0,1]=4 1269 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [1,0,0,0,0,0|2,0,1]=4 1270 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [1,0,0,0,0,0|2,0,1]=4 1271 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [1,0,0,0,0,0|2,0,1]=4 1272 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [1,0,0,0,0,0|2,0,1]=4 1273 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [1,0,0,0,0,0|2,0,1]=4 1274 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [1,0,0,0,0,0|2,0,1]=4 1275 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 1276 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,0,0,0,0,0|2,0,1]=4 1277 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [1,0,0,0,0,0|2,0,1]=4 1278 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [1,0,0,0,0,0|2,0,1]=4 1279 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [1,0,0,0,0,0|2,0,1]=4 1280 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [1,0,0,0,0,0|2,0,1]=4 1281 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,0,0,0,0,0|2,0,1]=4 1282 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,0,0,0,0,0|2,0,1]=4 1283 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [1,0,0,0,0,0|2,0,1]=4 1284 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [1,0,0,0,0,0|2,0,1]=4 1285 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [1,0,0,0,0,0|2,0,1]=4 1286 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [1,0,0,0,0,0|2,0,1]=4 1287 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [1,0,0,0,0,0|2,0,1]=4 1288 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [1,0,0,0,0,0|2,0,1]=4 1289 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [1,0,0,0,0,0|2,0,1]=4 1290 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [1,0,0,0,0,0|2,0,1]=4 1291 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [1,0,0,0,0,0|2,0,1]=4 1292 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [1,0,0,0,0,0|2,0,1]=4 1293 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [1,0,0,0,0,0|2,0,1]=4 1294 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,0,0,0,0,0|2,0,1]=4 1295 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,0,0,0,0,0|2,0,1]=4 1296 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [1,0,0,0,0,0|2,0,1]=4 1297 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [1,0,0,0,0,0|2,0,1]=4 1298 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [1,0,0,0,0,0|2,0,1]=4 1299 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [1,0,0,0,0,0|2,0,1]=4 1300 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [1,0,0,0,0,0|2,0,1]=4 1301 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [1,0,0,0,0,0|2,0,1]=4 1302 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [1,0,0,0,0,0|2,0,1]=4 1303 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [1,0,0,0,0,0|2,0,1]=4 1304 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [1,0,0,0,0,0|2,0,1]=4 1305 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [1,0,0,0,0,0|2,0,1]=4 1306 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [1,0,0,0,0,0|2,0,1]=4 1307 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [1,0,0,0,0,0|2,0,1]=4 1308 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,0,0,0,0,0|2,0,1]=4 1309 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [1,0,0,0,0,0|2,0,1]=4 1310 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [1,0,0,0,0,0|2,0,1]=4 1311 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [1,0,0,0,0,0|2,0,1]=4 1312 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [1,0,0,0,0,0|2,0,1]=4 1313 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [1,0,0,0,0,0|2,0,1]=4 1314 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [1,0,0,0,0,0|2,0,1]=4 1315 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [1,0,0,0,0,0|2,0,1]=4 1316 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [1,0,0,0,0,0|2,0,1]=4 1317 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [1,0,0,0,0,0|2,0,1]=4 1318 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [1,0,0,0,0,0|0,0,2]=3 1319 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [1,0,0,0,0,0|0,0,2]=3 1320 B10R0.91 C#CCCC(=O)CCCCF 1458a_100000692101_100000729493 [1,0,0,0,0,0|1,0,2]=4 1321 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000692101_100000210776 [1,0,0,0,0,0|1,0,2]=4 1322 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000695505_100000753159 [1,0,0,0,0,0|1,0,2]=4 1323 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000692101_100000740836 [1,0,0,0,0,0|1,0,2]=4 1324 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000741012_100000753159 [1,0,0,0,0,0|1,0,2]=4 1325 B10R0.91 C#CCCC(=O)CCCSC 1458a_100000173376_100000753159 [1,0,0,0,0,0|1,0,2]=4 1326 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000692101_100011215890 [1,0,0,0,0,0|1,0,2]=4 1327 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000749530_100000753159 [1,0,0,0,0,0|1,0,2]=4 1328 B10R0.91 C#CCCC(=O)CCOCC 34a_100011064465_100000210202 [1,0,0,0,0,0|1,0,2]=4 1329 B10R0.91 C#CCCC(=O)CCOCC 7a_100011064465_100000210202 [1,0,0,0,0,0|1,0,2]=4 1330 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000230768_100000753159 [1,0,0,0,0,0|1,0,2]=4 1331 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000692101_100000757381 [1,0,0,0,0,0|1,0,2]=4 1332 B10R0.91 C#CCCC(=O)COCCC 1458a_100000745993_100000753159 [1,0,0,0,0,0|1,0,2]=4 1333 B10R0.91 C#CCCC(=O)CSCCC 1458a_100000217233_100000753159 [1,0,0,0,0,0|1,0,2]=4 1334 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [1,0,0,0,0,0|1,0,2]=4 1335 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [1,0,0,0,0,0|1,0,2]=4 1336 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [1,0,0,0,0,0|1,0,2]=4 1337 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [1,0,0,0,0,0|1,0,2]=4 1338 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [1,0,0,0,0,0|0,0,2]=3 1339 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [1,0,0,0,0,0|0,0,2]=3 1340 B10R0.91 C#CCCCC(=O)CCCF 1458a_100000690238_100011934791 [1,0,0,0,0,0|1,0,2]=4 1341 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [1,0,0,0,0,0|1,0,2]=4 1342 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000690238_100000233755 [1,0,0,0,0,0|1,0,2]=4 1343 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000749529_100000731252 [1,0,0,0,0,0|1,0,2]=4 1344 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000174002_100000731252 [1,0,0,0,0,0|1,0,2]=4 1345 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000690238_100000751147 [1,0,0,0,0,0|1,0,2]=4 1346 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [1,0,0,0,0,0|1,0,2]=4 1347 B10R0.91 C#CCCCC(=O)CSCC 1458a_100000230394_100000731252 [1,0,0,0,0,0|1,0,2]=4 1348 B10R0.91 C#CCCCC(=O)NCCC 11a_100020643023_100000690238 [1,0,0,0,0,0|1,0,2]=4 1349 B10R0.91 C#CCCCC(=O)NCCC 1626a_100020643023_100000690238 [1,0,0,0,0,0|1,0,2]=4 1350 B10R0.91 C#CCCCC(=O)NCCC 240690a_100020643023_100000690238 [1,0,0,0,0,0|1,0,2]=4 1351 B10R0.91 C#CCCCC(=O)NCCC 527a_100020643023_100000690238 [1,0,0,0,0,0|1,0,2]=4 1352 B10R0.91 C#CCCNC(=O)CCCC 11a_100000755551_100000210183 [1,0,0,0,0,0|1,0,2]=4 1353 B10R0.91 C#CCCNC(=O)CCCC 1626a_100000755551_100000210183 [1,0,0,0,0,0|1,0,2]=4 1354 B10R0.91 C#CCCNC(=O)CCCC 240690a_100000755551_100000210183 [1,0,0,0,0,0|1,0,2]=4 1355 B10R0.91 C#CCCNC(=O)CCCC 527a_100000755551_100000210183 [1,0,0,0,0,0|1,0,2]=4 1356 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [1,0,0,0,0,0|1,0,2]=4 1357 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [1,0,0,0,0,0|1,0,2]=4 1358 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [1,0,0,0,0,0|1,0,2]=4 1359 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [1,0,0,0,0,0|1,0,2]=4 1360 B10R0.91 C#CCNCC(=O)OCCC 34a_100000212058_200011215008 [1,0,0,0,0,0|1,0,2]=4 1361 B10R0.91 C#CCOCC(=O)CCCC 1458a_100011251226_100000210211 [1,0,0,0,0,0|1,0,2]=4 1362 B10R0.91 C#CCOCC(=O)OCCC 34a_100000210247_200011215008 [1,0,0,0,0,0|1,0,2]=4 1363 B10R0.91 C#CCSCC(=O)OCCC 62a_100000038162_200011215008 [1,0,0,0,0,0|1,0,2]=4 1364 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,0,0,0,0,0|0,0,2]=3 1365 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [1,0,0,0,0,0|1,0,2]=4 1366 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [1,0,0,0,0,0|1,0,2]=4 1367 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [1,0,0,0,0,0|1,0,2]=4 1368 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [1,0,0,0,0,0|1,0,2]=4 1369 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [1,0,0,0,0,0|1,0,2]=4 1370 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [1,0,0,0,0,0|1,0,2]=4 1371 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [1,0,0,0,0,0|1,0,2]=4 1372 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [1,0,0,0,0,0|3,0,0]=4 1373 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [1,0,0,0,0,0|3,0,0]=4 1374 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [1,0,0,0,0,0|3,0,0]=4 1375 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,0,0,0,0,0|0,0,2]=3 1376 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,0,0,0,0,0|0,0,2]=3 1377 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [1,0,0,0,0,0|1,0,2]=4 1378 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [1,0,0,0,0,0|1,0,2]=4 1379 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [1,0,0,0,0,0|1,0,2]=4 1380 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [1,0,0,0,0,0|1,0,2]=4 1381 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [1,0,0,0,0,0|1,0,2]=4 1382 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [1,0,0,0,0,0|1,0,2]=4 1383 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [1,0,0,0,0,0|1,0,2]=4 1384 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [1,0,0,0,0,0|1,0,2]=4 1385 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [1,0,0,0,0,0|1,0,2]=4 1386 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [1,0,0,0,0,0|1,0,2]=4 1387 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [1,0,0,0,0,0|1,0,2]=4 1388 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [1,0,0,0,0,0|1,0,2]=4 1389 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [1,0,0,0,0,0|1,0,2]=4 1390 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [1,0,0,0,0,0|1,0,2]=4 1391 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [1,0,0,0,0,0|1,0,2]=4 1392 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [1,0,0,0,0,0|1,0,2]=4 1393 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [1,0,0,0,0,0|0,0,2]=3 1394 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [1,0,0,0,0,0|0,0,2]=3 1395 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [1,0,0,0,0,0|1,0,2]=4 1396 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [1,0,0,0,0,0|1,0,2]=4 1397 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [1,0,0,0,0,0|1,0,2]=4 1398 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [1,0,0,0,0,0|1,0,2]=4 1399 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [1,0,0,0,0,0|1,0,2]=4 1400 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [1,0,0,0,0,0|1,0,2]=4 1401 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [1,0,0,0,0,0|1,0,2]=4 1402 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [1,0,0,0,0,0|1,0,2]=4 1403 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [1,0,0,0,0,0|1,0,2]=4 1404 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [1,0,0,0,0,0|1,0,2]=4 1405 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [1,0,0,0,0,0|1,0,2]=4 1406 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [1,0,0,0,0,0|1,0,2]=4 1407 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [1,0,0,0,0,0|1,0,2]=4 1408 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [1,0,0,0,0,0|1,0,2]=4 1409 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [1,0,0,0,0,0|1,0,2]=4 1410 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [1,0,0,0,0,0|1,0,2]=4 1411 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [1,0,0,0,0,0|1,0,2]=4 1412 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [1,0,0,0,0,0|1,0,2]=4 1413 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [1,0,0,0,0,0|1,0,2]=4 1414 B10R0.91 C=CCNCC(=O)OCCC 2230a_100020586998_200011215008 [1,0,0,0,0,0|1,0,2]=4 1415 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [1,0,0,0,0,0|1,0,2]=4 1416 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [1,0,0,0,0,0|1,0,2]=4 1417 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [1,0,0,0,0,0|1,0,2]=4 1418 B10R0.91 C=CCOCC(=O)OCCC 34a_200000210373_200011215008 [1,0,0,0,0,0|1,0,2]=4 1419 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [1,0,0,0,0,0|1,0,2]=4 1420 B10R0.91 C=CCSCC(=O)OCCC 62a_100000210623_200011215008 [1,0,0,0,0,0|1,0,2]=4 1421 B10R0.91 C=CCSCC(=O)OCCC 62a_200011215008_100000210623 [1,0,0,0,0,0|1,0,2]=4 1422 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [1,0,0,0,0,0|1,0,2]=4 1423 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [1,0,0,0,0,0|0,0,2]=3 1424 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [1,0,0,0,0,0|1,0,2]=4 1425 B10R0.91 CC#CCC(=O)CCCOC 1458a_100000741012_100000748600 [1,0,0,0,0,0|1,0,2]=4 1426 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [1,0,0,0,0,0|1,0,2]=4 1427 B10R0.91 CC#CCC(=O)CCOCC 1458a_100000749530_100000748600 [1,0,0,0,0,0|1,0,2]=4 1428 B10R0.91 CC#CCC(=O)CCSCC 1458a_100000230768_100000748600 [1,0,0,0,0,0|1,0,2]=4 1429 B10R0.91 CC#CCC(=O)COCCC 1458a_100000745993_100000748600 [1,0,0,0,0,0|1,0,2]=4 1430 B10R0.91 CC#CCC(=O)CSCCC 1458a_100000217233_100000748600 [1,0,0,0,0,0|1,0,2]=4 1431 B10R0.91 CC#CCNC(=O)CCCC 11a_100000685387_100000210183 [1,0,0,0,0,0|1,0,2]=4 1432 B10R0.91 CC#CCNC(=O)CCCC 1626a_100000685387_100000210183 [1,0,0,0,0,0|1,0,2]=4 1433 B10R0.91 CC#CCNC(=O)CCCC 527a_100000685387_100000210183 [1,0,0,0,0,0|1,0,2]=4 1434 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [1,0,0,0,0,0|0,0,2]=3 1435 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [1,0,0,0,0,0|1,0,2]=4 1436 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [1,0,0,0,0,0|1,0,2]=4 1437 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [1,0,0,0,0,0|1,0,2]=4 1438 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [1,0,0,0,0,0|1,0,2]=4 1439 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [1,0,0,0,0,0|1,0,2]=4 1440 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [1,0,0,0,0,0|1,0,2]=4 1441 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [1,0,0,0,0,0|1,0,2]=4 1442 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [1,0,0,0,0,0|1,0,2]=4 1443 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [1,0,0,0,0,0|0,0,2]=3 1444 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [1,0,0,0,0,0|1,0,2]=4 1445 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [1,0,0,0,0,0|1,0,2]=4 1446 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [1,0,0,0,0,0|1,0,2]=4 1447 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [1,0,0,0,0,0|1,0,2]=4 1448 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,0,0,0,0,0|0,0,2]=3 1449 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,0,0,0,0,0|0,0,2]=3 1450 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [1,0,0,0,0,0|1,0,2]=4 1451 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [1,0,0,0,0,0|1,0,2]=4 1452 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [1,0,0,0,0,0|1,0,2]=4 1453 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [1,0,0,0,0,0|1,0,2]=4 1454 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [1,0,0,0,0,0|1,0,2]=4 1455 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [1,0,0,0,0,0|1,0,2]=4 1456 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [1,0,0,0,0,0|1,0,2]=4 1457 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [1,0,0,0,0,0|1,0,2]=4 1458 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [1,0,0,0,0,0|1,0,2]=4 1459 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [1,0,0,0,0,0|1,0,2]=4 1460 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [1,0,0,0,0,0|1,0,2]=4 1461 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [1,0,0,0,0,0|1,0,2]=4 1462 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [1,0,0,0,0,0|1,0,2]=4 1463 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [1,0,0,0,0,0|1,0,2]=4 1464 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [1,0,0,0,0,0|1,0,2]=4 1465 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [1,0,0,0,0,0|1,0,2]=4 1466 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [1,0,0,0,0,0|2,0,1]=4 1467 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [1,0,0,0,0,0|0,0,2]=3 1468 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [1,0,0,0,0,0|1,0,2]=4 1469 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [1,0,0,0,0,0|1,0,2]=4 1470 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [1,0,0,0,0,0|1,0,2]=4 1471 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [1,0,0,0,0,0|1,0,2]=4 1472 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [1,0,0,0,0,0|1,0,2]=4 1473 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [1,0,0,0,0,0|0,0,2]=3 1474 B10R0.91 CCC#CCC(=O)CCOC 1458a_100000749529_100009813939 [1,0,0,0,0,0|1,0,2]=4 1475 B10R0.91 CCC#CCC(=O)CCSC 1458a_100000174002_100009813939 [1,0,0,0,0,0|1,0,2]=4 1476 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [1,0,0,0,0,0|1,0,2]=4 1477 B10R0.91 CCC#CCC(=O)CSCC 1458a_100000230394_100009813939 [1,0,0,0,0,0|1,0,2]=4 1478 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,0,0,0,0,0|0,0,2]=3 1479 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [1,0,0,0,0,0|1,0,2]=4 1480 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [1,0,0,0,0,0|1,0,2]=4 1481 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [1,0,0,0,0,0|1,0,2]=4 1482 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [1,0,0,0,0,0|1,0,2]=4 1483 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [1,0,0,0,0,0|1,0,2]=4 1484 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [1,0,0,0,0,0|1,0,2]=4 1485 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [1,0,0,0,0,0|1,0,2]=4 1486 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [1,0,0,0,0,0|1,0,2]=4 1487 B10R0.91 CCC=NNC(=O)CCCC 4a_100000189769_100000210100 [1,0,0,0,0,0|2,0,1]=4 1488 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [1,0,0,0,0,0|0,0,2]=3 1489 B10R0.91 CCCC#CC(=O)CCCF 1458a_200011218047_100011934791 [1,0,0,0,0,0|1,0,2]=4 1490 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [1,0,0,0,0,0|1,0,2]=4 1491 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [1,0,0,0,0,0|1,0,2]=4 1492 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [1,0,0,0,0,0|1,0,2]=4 1493 B10R0.91 CCCC#CC(=O)NCCC 240690a_100020643023_200011218047 [1,0,0,0,0,0|1,0,2]=4 1494 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [1,0,0,0,0,0|0,0,2]=3 1495 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [1,0,0,0,0,0|1,0,2]=4 1496 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [1,0,0,0,0,0|1,0,2]=4 1497 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [1,0,0,0,0,0|1,0,2]=4 1498 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [1,0,0,0,0,0|1,0,2]=4 1499 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [1,0,0,0,0,0|1,0,2]=4 1500 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [1,0,0,0,0,0|1,0,2]=4 1501 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [1,0,0,0,0,0|1,0,2]=4 1502 B10R0.91 CCCCC(=NNCCC)C 4a_100000740057_100000210087 [1,0,0,0,0,0|3,0,0]=4 1503 B10R0.91 CCCCC(=O)C=CCOC 1458a_100016285016_100000210211 [1,0,0,0,0,0|1,0,2]=4 1504 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [1,0,0,0,0,0|1,0,2]=4 1505 B10R0.91 CCCCC(=O)CC#CCO 1458a_100000210183_200000047223 [1,0,0,0,0,0|1,0,2]=4 1506 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [1,0,0,0,0,0|1,0,1]=3 1507 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [1,0,0,0,0,0|1,0,1]=3 1508 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,0,0,0,0,0|1,0,0]=2 1509 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,0,0,0,0,0|1,0,0]=2 1510 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,0,0,0,0,0|1,0,0]=2 1511 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,0,0,0,0,0|1,0,0]=2 1512 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,0,0,0,0,0|1,0,0]=2 1513 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [1,0,0,0,0,0|1,0,0]=2 1514 B10R0.91 CCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210211 [1,0,0,0,0,0|3,0,0]=4 1515 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,0,0,0,0,0|1,0,0]=2 1516 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,0,0,0,0,0|1,0,0]=2 1517 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,0,0,0,0,0|1,0,0]=2 1518 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,0,0,0,0,0|1,0,0]=2 1519 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [1,0,0,0,0,0|1,0,0]=2 1520 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [1,0,0,0,0,0|2,0,0]=3 1521 B10R0.91 CCCCC(=O)CSCC#N 1458a_100000150266_100000210211 [1,0,0,0,0,0|2,0,1]=4 1522 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [1,0,0,0,0,0|1,0,0]=2 1523 B10R0.91 CCCCC(=O)NCCC#N 11a_100000720768_100000210183 [1,0,0,0,0,0|2,0,1]=4 1524 B10R0.91 CCCCC(=O)NCCC#N 1626a_100000720768_100000210183 [1,0,0,0,0,0|2,0,1]=4 1525 B10R0.91 CCCCC(=O)NCCC#N 240690a_100000720768_100000210183 [1,0,0,0,0,0|2,0,1]=4 1526 B10R0.91 CCCCC(=O)NCCC#N 527a_100000720768_100000210183 [1,0,0,0,0,0|2,0,1]=4 1527 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [1,0,0,0,0,0|2,0,0]=3 1528 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [1,0,0,0,0,0|2,0,0]=3 1529 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [1,0,0,0,0,0|2,0,0]=3 1530 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [1,0,0,0,0,0|2,0,0]=3 1531 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [1,0,0,0,0,0|2,0,0]=3 1532 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [1,0,0,0,0,0|2,0,0]=3 1533 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [1,0,0,0,0,0|2,0,0]=3 1534 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [1,0,0,0,0,0|2,0,0]=3 1535 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [1,0,0,0,0,0|2,0,0]=3 1536 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [1,0,0,0,0,0|2,0,0]=3 1537 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [1,0,0,0,0,0|2,0,0]=3 1538 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [1,0,0,0,0,0|2,0,0]=3 1539 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [1,0,0,0,0,0|2,0,0]=3 1540 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [1,0,0,0,0,0|2,0,0]=3 1541 B10R0.91 CCCCC(=O)NNCCO 22a_100000210001_100000210183 [1,0,0,0,0,0|3,0,0]=4 1542 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [1,0,0,0,0,0|2,0,1]=4 1543 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [1,0,0,0,0,0|2,0,1]=4 1544 B10R0.91 CCCCC(C)OCCCBr 34a_100011217188_200011215066 [1,0,0,0,0,0|2,0,1]=4 1545 B10R0.91 CCCCC(C)OCCCCl 34a_100000230001_200011215066 [1,0,0,0,0,0|2,0,1]=4 1546 B10R0.91 CCCCC(C)OCCCF 34a_100000687866_100011934791 [1,0,0,0,0,0|2,0,1]=4 1547 B10R0.91 CCCCC(C)OCCCF 34a_100000759539_200011215066 [1,0,0,0,0,0|2,0,1]=4 1548 B10R0.91 CCCCC(C)OCCCF 7a_100000687866_100011934791 [1,0,0,0,0,0|2,0,1]=4 1549 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [1,0,0,0,0,0|2,0,1]=4 1550 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [1,0,0,0,0,0|2,0,1]=4 1551 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [1,0,0,0,0,0|2,0,1]=4 1552 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [1,0,0,0,0,0|2,0,1]=4 1553 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [1,0,0,0,0,0|2,0,1]=4 1554 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [1,0,0,0,0,0|2,0,1]=4 1555 B10R0.91 CCCCC(C)OCCSC 34a_100000230434_200011215066 [1,0,0,0,0,0|2,0,1]=4 1556 B10R0.91 CCCCC(C)OCCSC 34a_100000687866_100000212216 [1,0,0,0,0,0|2,0,1]=4 1557 B10R0.91 CCCCC(C)OCCSC 7a_100000230434_200011215066 [1,0,0,0,0,0|2,0,1]=4 1558 B10R0.91 CCCCC(C)OCCSC 7a_100000687866_100000212216 [1,0,0,0,0,0|2,0,1]=4 1559 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [1,0,0,0,0,0|3,0,0]=4 1560 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [1,0,0,0,0,0|1,0,2]=4 1561 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [1,0,0,0,0,0|1,0,2]=4 1562 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [1,0,0,0,0,0|1,0,1]=3 1563 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [1,0,0,0,0,0|1,0,1]=3 1564 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,0,0,0,0,0|0,0,0]=1 1565 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,0,0,0,0,0|0,0,0]=1 1566 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,0,0,0,0,0|1,0,0]=2 1567 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,0,0,0,0,0|1,0,0]=2 1568 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,0,0,0,0,0|1,0,0]=2 1569 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,0,0,0,0,0|1,0,0]=2 1570 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,0,0,0,0,0|1,0,0]=2 1571 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,0,0,0,0,0|1,0,0]=2 1572 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,0,0,0,0,0|1,0,0]=2 1573 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,0,0,0,0,0|1,0,0]=2 1574 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,0,0,0,0,0|1,0,0]=2 1575 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,0,0,0,0,0|1,0,0]=2 1576 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,0,0,0,0,0|1,0,0]=2 1577 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,0,0,0,0,0|1,0,0]=2 1578 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [1,0,0,0,0,0|2,0,0]=3 1579 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [1,0,0,0,0,0|2,0,0]=3 1580 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [1,0,0,0,0,0|2,0,1]=4 1581 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [1,0,0,0,0,0|2,0,1]=4 1582 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,0,0,0,0,0|1,0,0]=2 1583 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,0,0,0,0,0|1,0,0]=2 1584 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,0,0,0,0,0|1,0,0]=2 1585 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,0,0,0,0,0|1,0,0]=2 1586 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [1,0,0,0,0,0|2,0,0]=3 1587 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [1,0,0,0,0,0|2,0,0]=3 1588 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [1,0,0,0,0,0|2,0,0]=3 1589 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [1,0,0,0,0,0|2,0,0]=3 1590 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [1,0,0,0,0,0|2,0,0]=3 1591 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [1,0,0,0,0,0|2,0,0]=3 1592 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [1,0,0,0,0,0|2,0,0]=3 1593 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [1,0,0,0,0,0|2,0,1]=4 1594 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [1,0,0,0,0,0|2,0,1]=4 1595 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [1,0,0,0,0,0|2,0,1]=4 1596 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [1,0,0,0,0,0|1,0,1]=3 1597 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [1,0,0,0,0,0|1,0,1]=3 1598 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [1,0,0,0,0,0|1,0,1]=3 1599 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [1,0,0,0,0,0|2,0,1]=4 1600 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [1,0,0,0,0,0|2,0,1]=4 1601 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [1,0,0,0,0,0|2,0,1]=4 1602 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [1,0,0,0,0,0|2,0,1]=4 1603 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [1,0,0,0,0,0|2,0,1]=4 1604 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [1,0,0,0,0,0|2,0,1]=4 1605 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [1,0,0,0,0,0|1,1,1]=4 1606 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [1,0,0,0,0,0|1,1,1]=4 1607 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [1,0,0,0,0,0|2,0,0]=3 1608 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [1,0,0,0,0,0|2,0,0]=3 1609 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [1,0,0,0,0,0|2,0,0]=3 1610 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [1,0,0,0,0,0|2,0,0]=3 1611 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [1,0,0,0,0,0|3,0,0]=4 1612 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [1,0,0,0,0,0|3,0,0]=4 1613 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [1,0,0,0,0,0|3,0,0]=4 1614 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [1,0,0,0,0,0|3,0,0]=4 1615 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [1,0,0,0,0,0|3,0,0]=4 1616 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [1,0,0,0,0,0|3,0,0]=4 1617 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [1,0,0,0,0,0|3,0,0]=4 1618 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [1,0,0,0,0,0|3,0,0]=4 1619 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [1,0,0,0,0,0|3,0,0]=4 1620 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [1,0,0,0,0,0|3,0,0]=4 1621 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [1,0,0,0,0,0|3,0,0]=4 1622 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [1,0,0,0,0,0|3,0,0]=4 1623 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [1,0,0,0,0,0|3,0,0]=4 1624 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [1,0,0,0,0,0|3,0,0]=4 1625 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [1,0,0,0,0,0|3,0,0]=4 1626 B10R0.91 CCCCN(C)CCCCF 2230a_100000207549_100000729493 [1,0,0,0,0,0|3,0,0]=4 1627 B10R0.91 CCCCN(C)CCCCF 269982a_100000207549_100000729493 [1,0,0,0,0,0|3,0,0]=4 1628 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [1,0,0,0,0,0|3,0,0]=4 1629 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [1,0,0,0,0,0|3,0,0]=4 1630 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [1,0,0,0,0,0|3,0,0]=4 1631 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [1,0,0,0,0,0|3,0,0]=4 1632 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [1,0,0,0,0,0|3,0,0]=4 1633 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [1,0,0,0,0,0|3,0,0]=4 1634 B10R0.91 CCCCN(C)CCCOC 2230a_100000207549_100000740836 [1,0,0,0,0,0|3,0,0]=4 1635 B10R0.91 CCCCN(C)CCCOC 2230a_100000224831_100000210211 [1,0,0,0,0,0|3,0,0]=4 1636 B10R0.91 CCCCN(C)CCCOC 269982a_100000207549_100000740836 [1,0,0,0,0,0|3,0,0]=4 1637 B10R0.91 CCCCN(C)CCCOC 269982a_100000224831_100000210211 [1,0,0,0,0,0|3,0,0]=4 1638 B10R0.91 CCCCN(C)CCOCC 2230a_100000207549_100011215890 [1,0,0,0,0,0|3,0,0]=4 1639 B10R0.91 CCCCN(C)CCOCC 269982a_100000207549_100011215890 [1,0,0,0,0,0|3,0,0]=4 1640 B10R0.91 CCCCN(C)CCSCC 2230a_100000207549_100000757381 [1,0,0,0,0,0|3,0,0]=4 1641 B10R0.91 CCCCN(C)CCSCC 269982a_100000207549_100000757381 [1,0,0,0,0,0|3,0,0]=4 1642 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [1,0,0,0,0,0|3,0,0]=4 1643 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [1,0,0,0,0,0|3,0,0]=4 1644 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [1,0,0,0,0,0|2,0,1]=4 1645 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [1,0,0,0,0,0|2,0,1]=4 1646 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [1,0,0,0,0,0|2,0,1]=4 1647 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [1,0,0,0,0,0|2,0,1]=4 1648 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [1,0,0,0,0,0|1,0,0]=2 1649 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [1,0,0,0,0,0|1,0,0]=2 1650 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [1,0,0,0,0,0|1,0,0]=2 1651 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [1,0,0,0,0,0|1,0,0]=2 1652 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [1,0,0,0,0,0|2,0,0]=3 1653 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [1,0,0,0,0,0|2,0,0]=3 1654 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [1,0,0,0,0,0|2,0,0]=3 1655 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [1,0,0,0,0,0|2,0,0]=3 1656 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [1,0,0,0,0,0|2,0,0]=3 1657 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [1,0,0,0,0,0|2,0,0]=3 1658 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [1,0,0,0,0,0|2,0,0]=3 1659 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [1,0,0,0,0,0|2,0,0]=3 1660 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [1,0,0,0,0,0|2,0,0]=3 1661 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [1,0,0,0,0,0|2,0,0]=3 1662 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [1,0,0,0,0,0|2,0,0]=3 1663 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [1,0,0,0,0,0|2,0,0]=3 1664 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [1,0,0,0,0,0|2,0,0]=3 1665 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [1,0,0,0,0,0|2,0,0]=3 1666 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [1,0,0,0,0,0|2,0,0]=3 1667 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [1,0,0,0,0,0|2,0,0]=3 1668 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [1,0,0,0,0,0|2,0,0]=3 1669 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [1,0,0,0,0,0|2,0,0]=3 1670 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [1,0,0,0,0,0|2,0,0]=3 1671 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [1,0,0,0,0,0|2,0,0]=3 1672 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [1,0,0,0,0,0|3,0,0]=4 1673 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [1,0,0,0,0,0|3,0,0]=4 1674 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [1,0,0,0,0,0|2,0,0]=3 1675 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [1,0,0,0,0,0|2,0,0]=3 1676 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [1,0,0,0,0,0|2,0,0]=3 1677 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [1,0,0,0,0,0|2,0,0]=3 1678 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [1,0,0,0,0,0|2,0,0]=3 1679 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [1,0,0,0,0,0|2,0,0]=3 1680 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [1,0,0,0,0,0|3,0,0]=4 1681 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [1,0,0,0,0,0|3,0,0]=4 1682 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [1,0,0,0,0,0|3,0,0]=4 1683 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [1,0,0,0,0,0|3,0,0]=4 1684 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [1,0,0,0,0,0|3,0,0]=4 1685 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [1,0,0,0,0,0|3,0,0]=4 1686 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [1,0,0,0,0,0|3,0,0]=4 1687 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [1,0,0,0,0,0|3,0,0]=4 1688 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [1,0,0,0,0,0|3,0,0]=4 1689 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [1,0,0,0,0,0|3,0,0]=4 1690 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [1,0,0,0,0,0|3,0,0]=4 1691 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [1,0,0,0,0,0|2,0,1]=4 1692 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [1,0,0,0,0,0|2,0,1]=4 1693 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [1,0,0,0,0,0|2,0,1]=4 1694 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [1,0,0,0,0,0|2,0,1]=4 1695 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [1,0,0,0,0,0|1,0,0]=2 1696 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [1,0,0,0,0,0|1,0,0]=2 1697 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [1,0,0,0,0,0|1,0,0]=2 1698 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [1,0,0,0,0,0|1,0,0]=2 1699 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [1,0,0,0,0,0|2,0,0]=3 1700 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [1,0,0,0,0,0|2,0,0]=3 1701 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [1,0,0,0,0,0|1,0,1]=3 1702 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [1,0,0,0,0,0|1,0,1]=3 1703 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [1,0,0,0,0,0|1,0,1]=3 1704 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [1,0,0,0,0,0|1,0,1]=3 1705 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [1,0,0,0,0,0|2,0,1]=4 1706 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [1,0,0,0,0,0|2,0,1]=4 1707 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [1,0,0,0,0,0|2,0,1]=4 1708 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [1,0,0,0,0,0|2,0,1]=4 1709 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [1,0,0,0,0,0|1,1,1]=4 1710 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [1,0,0,0,0,0|1,1,1]=4 1711 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [1,0,0,0,0,0|2,0,1]=4 1712 B10R0.91 CCCNC(=O)CCCC#N 11a_100020643023_100000075515 [1,0,0,0,0,0|2,0,1]=4 1713 B10R0.91 CCCNC(=O)CCCC#N 1626a_100020643023_100000075515 [1,0,0,0,0,0|2,0,1]=4 1714 B10R0.91 CCCNC(=O)CCCC#N 240690a_100020643023_100000075515 [1,0,0,0,0,0|2,0,1]=4 1715 B10R0.91 CCCNC(=O)CCCC#N 527a_100020643023_100000075515 [1,0,0,0,0,0|2,0,1]=4 1716 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [1,0,0,0,0,0|2,0,0]=3 1717 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [1,0,0,0,0,0|2,0,0]=3 1718 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [1,0,0,0,0,0|2,0,0]=3 1719 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [1,0,0,0,0,0|2,0,0]=3 1720 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [1,0,0,0,0,0|2,0,0]=3 1721 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [1,0,0,0,0,0|2,0,0]=3 1722 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [1,0,0,0,0,0|2,0,0]=3 1723 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [1,0,0,0,0,0|2,0,0]=3 1724 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [1,0,0,0,0,0|2,0,0]=3 1725 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [1,0,0,0,0,0|2,0,0]=3 1726 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [1,0,0,0,0,0|2,0,0]=3 1727 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [1,0,0,0,0,0|2,0,0]=3 1728 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [1,0,0,0,0,0|2,0,0]=3 1729 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [1,0,0,0,0,0|2,0,0]=3 1730 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [1,0,0,0,0,0|2,0,0]=3 1731 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [1,0,0,0,0,0|2,0,0]=3 1732 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [1,0,0,0,0,0|2,0,0]=3 1733 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [1,0,0,0,0,0|2,0,0]=3 1734 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [1,0,0,0,0,0|2,0,0]=3 1735 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [1,0,0,0,0,0|2,0,0]=3 1736 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [1,0,0,0,0,0|2,0,0]=3 1737 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [1,0,0,0,0,0|2,0,0]=3 1738 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [1,0,0,0,0,0|2,0,0]=3 1739 B10R0.91 CCCNC(=O)CNCCF 2230a_100000174927_100011217306 [1,0,0,0,0,0|3,0,0]=4 1740 B10R0.91 CCCNC(=O)CNCCF 34a_100000724931_100000183358 [1,0,0,0,0,0|3,0,0]=4 1741 B10R0.91 CCCNC(=O)CNCCO 2230a_100000174927_100000211926 [1,0,0,0,0,0|3,0,0]=4 1742 B10R0.91 CCCNC(=O)CNCCO 2230a_100016997473_100000183358 [1,0,0,0,0,0|3,0,0]=4 1743 B10R0.91 CCCNC(=O)CNCCO 34a_100016990907_100000183358 [1,0,0,0,0,0|3,0,0]=4 1744 B10R0.91 CCCNC(=O)CNCOC 2230a_100000174927_100000766300 [1,0,0,0,0,0|3,0,0]=4 1745 B10R0.91 CCCNC(=O)CNCSC 2230a_100000174927_100011218213 [1,0,0,0,0,0|3,0,0]=4 1746 B10R0.91 CCCNC(=O)COCCBr 34a_100000211926_100000183358 [1,0,0,0,0,0|3,0,0]=4 1747 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [1,0,0,0,0,0|2,0,0]=3 1748 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [1,0,0,0,0,0|2,0,0]=3 1749 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [1,0,0,0,0,0|2,0,0]=3 1750 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [1,0,0,0,0,0|2,0,0]=3 1751 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [1,0,0,0,0,0|2,0,0]=3 1752 B10R0.91 CCCNC(=O)COCCN 34a_100000210304_100000183358 [1,0,0,0,0,0|3,0,0]=4 1753 B10R0.91 CCCNC(=O)COCCO 1626a_100020643023_100000708028 [1,0,0,0,0,0|3,0,0]=4 1754 B10R0.91 CCCNC(=O)COCCO 240690a_100020643023_100000708028 [1,0,0,0,0,0|3,0,0]=4 1755 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [1,0,0,0,0,0|2,0,0]=3 1756 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [1,0,0,0,0,0|2,0,0]=3 1757 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [1,0,0,0,0,0|2,0,0]=3 1758 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [1,0,0,0,0,0|2,0,0]=3 1759 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [1,0,0,0,0,0|2,0,0]=3 1760 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [1,0,0,0,0,0|2,0,0]=3 1761 B10R0.91 CCCNC(=O)CSCCF 62a_100000183358_100011217306 [1,0,0,0,0,0|3,0,0]=4 1762 B10R0.91 CCCNC(=O)CSCCF 62a_100011217306_100000183358 [1,0,0,0,0,0|3,0,0]=4 1763 B10R0.91 CCCNC(=O)CSCCO 62a_100000183358_100000211926 [1,0,0,0,0,0|3,0,0]=4 1764 B10R0.91 CCCNC(=O)CSCCO 62a_100000211926_100000183358 [1,0,0,0,0,0|3,0,0]=4 1765 B10R0.91 CCCNC(=O)CSCOC 62a_100000183358_100000766300 [1,0,0,0,0,0|3,0,0]=4 1766 B10R0.91 CCCNC(=O)CSCOC 62a_100000766300_100000183358 [1,0,0,0,0,0|3,0,0]=4 1767 B10R0.91 CCCNC(=O)CSCSC 62a_100000183358_100011218213 [1,0,0,0,0,0|3,0,0]=4 1768 B10R0.91 CCCNC(=O)CSCSC 62a_100011218213_100000183358 [1,0,0,0,0,0|3,0,0]=4 1769 B10R0.91 CCCNC(=O)NCCCF 2708a_100015189416_100020643023 [1,0,0,0,0,0|3,0,0]=4 1770 B10R0.91 CCCNC(=O)NCCCF 2708a_100020643023_100015189416 [1,0,0,0,0,0|3,0,0]=4 1771 B10R0.91 CCCNC(=O)NCCCF 273464a_100015189416_100020643023 [1,0,0,0,0,0|3,0,0]=4 1772 B10R0.91 CCCNC(=O)NCCCF 273464a_100020643023_100015189416 [1,0,0,0,0,0|3,0,0]=4 1773 B10R0.91 CCCNC(=O)NCCCF 512a_100015189416_100020643023 [1,0,0,0,0,0|3,0,0]=4 1774 B10R0.91 CCCNC(=O)NCCCF 512a_100020643023_100015189416 [1,0,0,0,0,0|3,0,0]=4 1775 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [1,0,0,0,0,0|3,0,0]=4 1776 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [1,0,0,0,0,0|3,0,0]=4 1777 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [1,0,0,0,0,0|3,0,0]=4 1778 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [1,0,0,0,0,0|3,0,0]=4 1779 B10R0.91 CCCNC(=O)NCCOC 2708a_100020643023_100000209980 [1,0,0,0,0,0|3,0,0]=4 1780 B10R0.91 CCCNC(=O)NCCOC 273464a_100000209980_100020643023 [1,0,0,0,0,0|3,0,0]=4 1781 B10R0.91 CCCNC(=O)NCCOC 273464a_100020643023_100000209980 [1,0,0,0,0,0|3,0,0]=4 1782 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [1,0,0,0,0,0|3,0,0]=4 1783 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [1,0,0,0,0,0|3,0,0]=4 1784 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [1,0,0,0,0,0|3,0,0]=4 1785 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [1,0,0,0,0,0|3,0,0]=4 1786 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [1,0,0,0,0,0|3,0,0]=4 1787 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [1,0,0,0,0,0|3,0,0]=4 1788 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [1,0,0,0,0,0|2,0,0]=3 1789 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [1,0,0,0,0,0|3,0,0]=4 1790 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [1,0,0,0,0,0|2,0,1]=4 1791 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [1,0,0,0,0,0|2,0,1]=4 1792 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [1,0,0,0,0,0|3,0,0]=4 1793 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [1,0,0,0,0,0|3,0,0]=4 1794 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [1,0,0,0,0,0|3,0,0]=4 1795 B10R0.91 CCCNNC(=O)CSCC 22a_100000740057_100000230394 [1,0,0,0,0,0|3,0,0]=4 1796 B10R0.91 CCCNNC(=O)NCCC 273464a_100020643023_100000740057 [1,0,0,0,0,0|3,0,0]=4 1797 B10R0.91 CCCNNC(=O)NCCC 512a_100000740057_100020643023 [1,0,0,0,0,0|3,0,0]=4 1798 B10R0.91 CCCNNC(=O)NCCC 512a_100020643023_100000740057 [1,0,0,0,0,0|3,0,0]=4 1799 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [1,0,0,0,0,0|2,0,0]=3 1800 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [1,0,0,0,0,0|2,0,0]=3 1801 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [1,0,0,0,0,0|2,0,0]=3 1802 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [1,0,0,0,0,0|2,0,0]=3 1803 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [1,0,0,0,0,0|2,0,0]=3 1804 B10R0.91 CCCOC(=O)CSCC#N 62a_100011215382_200011215008 [1,0,0,0,0,0|2,0,1]=4 1805 B10R0.91 CCCOC(=O)CSCC#N 62a_200011215008_100011215382 [1,0,0,0,0,0|2,0,1]=4 1806 B10R0.91 CCCOC(=O)CSCC=O 62a_200011215008_200015260668 [1,0,0,0,0,0|2,0,1]=4 1807 B10R0.91 CCCOC(=O)CSCC=O 62a_200015260668_200011215008 [1,0,0,0,0,0|2,0,1]=4 1808 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [1,0,0,0,0,0|1,0,0]=2 1809 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [1,0,0,0,0,0|1,0,0]=2 1810 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [1,0,0,0,0,0|2,0,0]=3 1811 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [1,0,0,0,0,0|2,0,0]=3 1812 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [1,0,0,0,0,0|2,0,0]=3 1813 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [1,0,0,0,0,0|2,0,0]=3 1814 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [1,0,0,0,0,0|2,0,0]=3 1815 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [1,0,0,0,0,0|2,0,0]=3 1816 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [1,0,0,0,0,0|2,0,0]=3 1817 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [1,0,0,0,0,0|2,0,0]=3 1818 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [1,0,0,0,0,0|2,0,0]=3 1819 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [1,0,0,0,0,0|2,0,0]=3 1820 B10R0.91 CCCOC(=O)OCSCF 62a_100015361967_200000139673 [1,0,0,0,0,0|3,0,0]=4 1821 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [1,0,0,0,0,0|2,0,1]=4 1822 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [1,0,0,0,0,0|2,0,1]=4 1823 B10R0.91 CCCOCC(=O)CCC#N 1458a_100000745993_100011215226 [1,0,0,0,0,0|2,0,1]=4 1824 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [1,0,0,0,0,0|2,0,0]=3 1825 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [1,0,0,0,0,0|2,0,0]=3 1826 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [1,0,0,0,0,0|2,0,0]=3 1827 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [1,0,0,0,0,0|2,0,0]=3 1828 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [1,0,0,0,0,0|3,0,0]=4 1829 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [1,0,0,0,0,0|3,0,0]=4 1830 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [1,0,0,0,0,0|3,0,0]=4 1831 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [1,0,0,0,0,0|3,0,0]=4 1832 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [1,0,0,0,0,0|3,0,0]=4 1833 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [1,0,0,0,0,0|3,0,0]=4 1834 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [1,0,0,0,0,0|3,0,0]=4 1835 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [1,0,0,0,0,0|1,0,0]=2 1836 B10R0.91 CCCSCC(=O)CCC#N 1458a_100000217233_100011215226 [1,0,0,0,0,0|2,0,1]=4 1837 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [1,0,0,0,0,0|2,0,0]=3 1838 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [1,0,0,0,0,0|2,0,0]=3 1839 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [1,0,0,0,0,0|2,0,0]=3 1840 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [1,0,0,0,0,0|2,0,0]=3 1841 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [1,0,0,0,0,0|3,0,0]=4 1842 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [1,0,0,0,0,0|3,0,0]=4 1843 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [1,0,0,0,0,0|3,0,0]=4 1844 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [1,0,0,0,0,0|3,0,0]=4 1845 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [1,0,0,0,0,0|3,0,0]=4 1846 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [1,0,0,0,0,0|3,0,0]=4 1847 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [1,0,0,0,0,0|3,0,0]=4 1848 B10R0.91 CCNCC(=O)NCCOC 2230a_100000754632_100000210202 [1,0,0,0,0,0|3,0,0]=4 1849 B10R0.91 CCNCC(=O)NCCOC 2230a_100015525214_100000183275 [1,0,0,0,0,0|3,0,0]=4 1850 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [1,0,0,0,0,0|2,0,0]=3 1851 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [1,0,0,0,0,0|3,0,0]=4 1852 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [1,0,0,0,0,0|3,0,0]=4 1853 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [1,0,0,0,0,0|3,0,0]=4 1854 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [1,0,0,0,0,0|3,0,0]=4 1855 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [1,0,0,0,0,0|2,0,1]=4 1856 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [1,0,0,0,0,0|2,0,0]=3 1857 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [1,0,0,0,0,0|2,0,0]=3 1858 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [1,0,0,0,0,0|2,0,0]=3 1859 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [1,0,0,0,0,0|2,0,0]=3 1860 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [1,0,0,0,0,0|3,0,0]=4 1861 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [1,0,0,0,0,0|3,0,0]=4 1862 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [1,0,0,0,0,0|3,0,0]=4 1863 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [1,0,0,0,0,0|3,0,0]=4 1864 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [1,0,0,0,0,0|3,0,0]=4 1865 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [1,0,0,0,0,0|3,0,0]=4 1866 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [1,0,0,0,0,0|3,0,0]=4 1867 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [1,0,0,0,0,0|3,0,0]=4 1868 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [1,0,0,0,0,0|3,0,0]=4 1869 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [1,0,0,0,0,0|3,0,0]=4 1870 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [1,0,0,0,0,0|3,0,0]=4 1871 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [1,0,0,0,0,0|3,0,0]=4 1872 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [1,0,0,0,0,0|3,0,0]=4 1873 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [1,0,0,0,0,0|3,0,0]=4 1874 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [1,0,0,0,0,0|2,0,0]=3 1875 B10R0.91 CCOCCC(=O)CCC#N 1458a_100000749530_100011215226 [1,0,0,0,0,0|2,0,1]=4 1876 B10R0.91 CCOCCC(=O)CCC#N 1458a_100011934036_100011215890 [1,0,0,0,0,0|2,0,1]=4 1877 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [1,0,0,0,0,0|2,0,0]=3 1878 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [1,0,0,0,0,0|2,0,0]=3 1879 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [1,0,0,0,0,0|2,0,0]=3 1880 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [1,0,0,0,0,0|2,0,0]=3 1881 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [1,0,0,0,0,0|2,0,0]=3 1882 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [1,0,0,0,0,0|2,0,0]=3 1883 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [1,0,0,0,0,0|2,0,0]=3 1884 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [1,0,0,0,0,0|2,0,0]=3 1885 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [1,0,0,0,0,0|3,0,0]=4 1886 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [1,0,0,0,0,0|3,0,0]=4 1887 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [1,0,0,0,0,0|3,0,0]=4 1888 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [1,0,0,0,0,0|3,0,0]=4 1889 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [1,0,0,0,0,0|3,0,0]=4 1890 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [1,0,0,0,0,0|3,0,0]=4 1891 B10R0.91 CCSCC(=O)CCCC#N 1458a_100000230394_100000211468 [1,0,0,0,0,0|2,0,1]=4 1892 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [1,0,0,0,0,0|2,0,0]=3 1893 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [1,0,0,0,0,0|2,0,0]=3 1894 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [1,0,0,0,0,0|2,0,0]=3 1895 B10R0.91 CCSCC(=O)NCCCF 11a_100015189416_100000230394 [1,0,0,0,0,0|3,0,0]=4 1896 B10R0.91 CCSCC(=O)NCCCF 1626a_100015189416_100000230394 [1,0,0,0,0,0|3,0,0]=4 1897 B10R0.91 CCSCC(=O)NCCCF 240690a_100015189416_100000230394 [1,0,0,0,0,0|3,0,0]=4 1898 B10R0.91 CCSCC(=O)NCCCF 527a_100015189416_100000230394 [1,0,0,0,0,0|3,0,0]=4 1899 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [1,0,0,0,0,0|3,0,0]=4 1900 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [1,0,0,0,0,0|3,0,0]=4 1901 B10R0.91 CCSCC(=O)NCCOC 1626a_100000209980_100000230394 [1,0,0,0,0,0|3,0,0]=4 1902 B10R0.91 CCSCC(=O)NCCOC 240690a_100000209980_100000230394 [1,0,0,0,0,0|3,0,0]=4 1903 B10R0.91 CCSCC(=O)NCCOC 527a_100000209980_100000230394 [1,0,0,0,0,0|3,0,0]=4 1904 B10R0.91 CCSCC(=O)NCCOC 62a_100000183275_100000210202 [1,0,0,0,0,0|3,0,0]=4 1905 B10R0.91 CCSCC(=O)NCCOC 62a_100000210202_100000183275 [1,0,0,0,0,0|3,0,0]=4 1906 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [1,0,0,0,0,0|3,0,0]=4 1907 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [1,0,0,0,0,0|3,0,0]=4 1908 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [1,0,0,0,0,0|3,0,0]=4 1909 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [1,0,0,0,0,0|3,0,0]=4 1910 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [1,0,0,0,0,0|2,0,0]=3 1911 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [1,0,0,0,0,0|2,0,0]=3 1912 B10R0.91 CCSCCC(=O)CCC#N 1458a_100000230768_100011215226 [1,0,0,0,0,0|2,0,1]=4 1913 B10R0.91 CCSCCC(=O)CCC#N 1458a_100011934036_100000757381 [1,0,0,0,0,0|2,0,1]=4 1914 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [1,0,0,0,0,0|2,0,0]=3 1915 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [1,0,0,0,0,0|2,0,0]=3 1916 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [1,0,0,0,0,0|2,0,0]=3 1917 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [1,0,0,0,0,0|2,0,0]=3 1918 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [1,0,0,0,0,0|2,0,0]=3 1919 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [1,0,0,0,0,0|2,0,0]=3 1920 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [1,0,0,0,0,0|2,0,0]=3 1921 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [1,0,0,0,0,0|3,0,0]=4 1922 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [1,0,0,0,0,0|3,0,0]=4 1923 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [1,0,0,0,0,0|3,0,0]=4 1924 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [1,0,0,0,0,0|3,0,0]=4 1925 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [1,0,0,0,0,0|3,0,0]=4 1926 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [1,0,0,0,0,0|3,0,0]=4 1927 B10R0.91 COCCC(=O)CCCC#N 1458a_100000075515_100000233755 [1,0,0,0,0,0|2,0,1]=4 1928 B10R0.91 COCCC(=O)CCCC#N 1458a_100000749529_100000211468 [1,0,0,0,0,0|2,0,1]=4 1929 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [1,0,0,0,0,0|2,0,0]=3 1930 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [1,0,0,0,0,0|2,0,0]=3 1931 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [1,0,0,0,0,0|2,0,0]=3 1932 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [1,0,0,0,0,0|2,0,0]=3 1933 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [1,0,0,0,0,0|3,0,0]=4 1934 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [1,0,0,0,0,0|3,0,0]=4 1935 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [1,0,0,0,0,0|3,0,0]=4 1936 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [1,0,0,0,0,0|3,0,0]=4 1937 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [1,0,0,0,0,0|3,0,0]=4 1938 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [1,0,0,0,0,0|3,0,0]=4 1939 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [1,0,0,0,0,0|3,0,0]=4 1940 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [1,0,0,0,0,0|3,0,0]=4 1941 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [1,0,0,0,0,0|3,0,0]=4 1942 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [1,0,0,0,0,0|3,0,0]=4 1943 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [1,0,0,0,0,0|3,0,0]=4 1944 B10R0.91 COCCCC(=O)CCC#N 1458a_100000741012_100011215226 [1,0,0,0,0,0|2,0,1]=4 1945 B10R0.91 COCCCC(=O)CCC#N 1458a_100011934036_100000740836 [1,0,0,0,0,0|2,0,1]=4 1946 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [1,0,0,0,0,0|2,0,0]=3 1947 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [1,0,0,0,0,0|2,0,0]=3 1948 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [1,0,0,0,0,0|2,0,0]=3 1949 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [1,0,0,0,0,0|2,0,0]=3 1950 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [1,0,0,0,0,0|2,0,0]=3 1951 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [1,0,0,0,0,0|2,0,0]=3 1952 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [1,0,0,0,0,0|3,0,0]=4 1953 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [1,0,0,0,0,0|3,0,0]=4 1954 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [1,0,0,0,0,0|3,0,0]=4 1955 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [1,0,0,0,0,0|3,0,0]=4 1956 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [1,0,0,0,0,0|3,0,0]=4 1957 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [1,0,0,0,0,0|3,0,0]=4 1958 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [1,0,0,0,0,0|3,0,0]=4 1959 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [1,0,0,0,0,0|3,0,0]=4 1960 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [1,0,0,0,0,0|3,0,0]=4 1961 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [1,0,0,0,0,0|3,0,0]=4 1962 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [1,0,0,0,0,0|3,0,0]=4 1963 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [1,0,0,0,0,0|3,0,0]=4 1964 B10R0.91 COCCOC(=O)CSCF 62a_100015361967_200000040189 [1,0,0,0,0,0|3,0,0]=4 1965 B10R0.91 COCCOC(=O)CSCF 62a_200000040189_100015361967 [1,0,0,0,0,0|3,0,0]=4 1966 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000075515_100000751147 [1,0,0,0,0,0|2,0,1]=4 1967 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000174002_100000211468 [1,0,0,0,0,0|2,0,1]=4 1968 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [1,0,0,0,0,0|2,0,0]=3 1969 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [1,0,0,0,0,0|2,0,0]=3 1970 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [1,0,0,0,0,0|2,0,0]=3 1971 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [1,0,0,0,0,0|3,0,0]=4 1972 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [1,0,0,0,0,0|3,0,0]=4 1973 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [1,0,0,0,0,0|3,0,0]=4 1974 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [1,0,0,0,0,0|3,0,0]=4 1975 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [1,0,0,0,0,0|3,0,0]=4 1976 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [1,0,0,0,0,0|3,0,0]=4 1977 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [1,0,0,0,0,0|3,0,0]=4 1978 B10R0.91 CSCCCC(=O)CCC#N 1458a_100000173376_100011215226 [1,0,0,0,0,0|2,0,1]=4 1979 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [1,0,0,0,0,0|2,0,0]=3 1980 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [1,0,0,0,0,0|2,0,0]=3 1981 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [1,0,0,0,0,0|2,0,0]=3 1982 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [1,0,0,0,0,0|3,0,0]=4 1983 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [1,0,0,0,0,0|3,0,0]=4 1984 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [1,0,0,0,0,0|3,0,0]=4 1985 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [1,0,0,0,0,0|3,0,0]=4 1986 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [1,0,0,0,0,0|3,0,0]=4 1987 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [1,0,0,0,0,0|3,0,0]=4 1988 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [1,0,0,0,0,0|3,0,0]=4 1989 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [1,0,0,0,0,0|3,0,0]=4 1990 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [1,0,0,0,0,0|3,0,0]=4 1991 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [1,0,0,0,0,0|3,0,0]=4 1992 B10R0.91 N#CCCC(=O)CCCCF 1458a_100011934036_100000729493 [1,0,0,0,0,0|2,0,1]=4 1993 B10R0.91 N#CCCC(=O)CCCCO 1458a_100000695505_100011215226 [1,0,0,0,0,0|2,0,1]=4 1994 B10R0.91 N#CCCC(=O)CCCCO 1458a_100011934036_100000210776 [1,0,0,0,0,0|2,0,1]=4 1995 B10R0.91 N#CCCCC(=O)CCCF 1458a_100000075515_100011934791 [1,0,0,0,0,0|2,0,1]=4 1996 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [1,0,0,0,0,0|2,0,1]=4 1997 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [1,0,0,0,0,0|3,0,0]=4 1998 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [1,0,0,0,0,0|2,0,0]=3 1999 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [1,0,0,0,0,0|3,0,0]=4 2000 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [1,0,0,0,0,0|2,0,0]=3 2001 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [1,0,0,0,0,0|3,0,0]=4 2002 B12R0.47 C#CCCCC(=O)C=CCCCC 1458a_100016266645_100000731252 [0,1,0,0,0,0|1,0,2]=4 2003 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100000690238_100000210757 [0,1,0,0,0,0|1,0,2]=4 2004 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100102632555_100000731252 [0,1,0,0,0,0|1,0,2]=4 2005 B12R0.47 C#CCCCC(=O)CCCCCF 1458a_100000690238_100000729378 [0,1,0,0,0,0|1,0,2]=4 2006 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100000690238_100000746330 [0,1,0,0,0,0|1,0,2]=4 2007 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100102619762_100000731252 [0,1,0,0,0,0|1,0,2]=4 2008 B12R0.47 C#CCCCC(=O)CCCCOC 1458a_100000690238_100000755781 [0,1,0,0,0,0|1,0,2]=4 2009 B12R0.47 C#CCCCC(=O)CCCOCC 1458a_100000690238_100012232248 [0,1,0,0,0,0|1,0,2]=4 2010 B12R0.47 C#CCCCC(=O)CCOCCC 1458a_100000690238_100011215938 [0,1,0,0,0,0|1,0,2]=4 2011 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000690238_100011995733 [0,1,0,0,0,0|0,0,2]=3 2012 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000757543_100000731252 [0,1,0,0,0,0|0,0,2]=3 2013 B12R0.47 C#CCCCC(=O)COCCOC 1458a_100000211095_100000731252 [0,1,0,0,0,0|1,0,2]=4 2014 B12R0.47 C#CCCCC(=O)CSCCCC 1458a_100000191162_100000731252 [0,1,0,0,0,0|0,1,2]=4 2015 B12R0.47 C#CCCCC(=O)NCCCCC 11a_100000209983_100000690238 [0,1,0,0,0,0|1,0,2]=4 2016 B12R0.47 C#CCCCC(=O)NCCCCC 1626a_100000209983_100000690238 [0,1,0,0,0,0|1,0,2]=4 2017 B12R0.47 C#CCCCC(=O)NCCCCC 240690a_100000209983_100000690238 [0,1,0,0,0,0|1,0,2]=4 2018 B12R0.47 C#CCCCC(=O)NCCCCC 527a_100000209983_100000690238 [0,1,0,0,0,0|1,0,2]=4 2019 B12R0.47 C#CCCCC(=O)NCCCCO 240690a_100000750430_100000690238 [0,1,0,0,0,0|1,0,2]=4 2020 B12R0.47 C#CCCCC(=O)NCCCCO 527a_100000750430_100000690238 [0,1,0,0,0,0|1,0,2]=4 2021 B12R0.47 C#CCCCC(=O)NCCCOC 1626a_100150723488_100000690238 [0,1,0,0,0,0|1,0,2]=4 2022 B12R0.47 C#CCCCC(=O)NCCCOC 240690a_100150723488_100000690238 [0,1,0,0,0,0|1,0,2]=4 2023 B12R0.47 C#CCCCC(=O)NCCCOC 527a_100150723488_100000690238 [0,1,0,0,0,0|1,0,2]=4 2024 B12R0.47 C#CCCCC(=O)NCCCSC 11a_100000749238_100000690238 [0,1,0,0,0,0|1,0,2]=4 2025 B12R0.47 C#CCCCC(=O)NCCCSC 1626a_100000749238_100000690238 [0,1,0,0,0,0|1,0,2]=4 2026 B12R0.47 C#CCCCC(=O)NCCCSC 240690a_100000749238_100000690238 [0,1,0,0,0,0|1,0,2]=4 2027 B12R0.47 C#CCCCC(=O)NCCCSC 527a_100000749238_100000690238 [0,1,0,0,0,0|1,0,2]=4 2028 B12R0.47 C#CCCCC(=O)NCCOCC 11a_100011200944_100000690238 [0,1,0,0,0,0|1,0,2]=4 2029 B12R0.47 C#CCCCC(=O)NCCOCC 1626a_102516460346_100000690238 [0,1,0,0,0,0|1,0,2]=4 2030 B12R0.47 C#CCCCC(=O)NCCOCC 240690a_100011200944_100000690238 [0,1,0,0,0,0|1,0,2]=4 2031 B12R0.47 C#CCCCC(=O)NCCOCC 527a_100011200944_100000690238 [0,1,0,0,0,0|1,0,2]=4 2032 B12R0.47 C#CCCCC(=O)NCCSCC 11a_100000106463_100000690238 [0,1,0,0,0,0|1,0,2]=4 2033 B12R0.47 C#CCCCC(=O)NCCSCC 1626a_100000106463_100000690238 [0,1,0,0,0,0|1,0,2]=4 2034 B12R0.47 C#CCCCC(=O)NCCSCC 240690a_100000106463_100000690238 [0,1,0,0,0,0|1,0,2]=4 2035 B12R0.47 C#CCCCC(=O)NCCSCC 527a_100000106463_100000690238 [0,1,0,0,0,0|1,0,2]=4 2036 B12R0.47 C#CCCCC(=O)NNCCCC 22a_100025702795_100000690238 [0,1,0,0,0,0|1,0,2]=4 2037 B12R0.47 C#CCCCCC(=O)C#CCCC 1458a_200011218047_100010269958 [0,1,0,0,0,0|1,0,2]=4 2038 B12R0.47 C#CCCCCC(=O)C=CCCC 1458a_100000212230_100010269958 [0,1,0,0,0,0|1,0,2]=4 2039 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000212188_100010269958 [0,1,0,0,0,0|1,0,1]=3 2040 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000696528_100000210326 [0,1,0,0,0,0|1,0,1]=3 2041 B12R0.47 C#CCCCCC(=O)CCCCF 1458a_100000696528_100000729493 [0,1,0,0,0,0|2,0,1]=4 2042 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000695505_100010269958 [0,1,0,0,0,0|2,0,1]=4 2043 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000696528_100000210776 [0,1,0,0,0,0|2,0,1]=4 2044 B12R0.47 C#CCCCCC(=O)CCCOC 1458a_100000696528_100000740836 [0,1,0,0,0,0|2,0,1]=4 2045 B12R0.47 C#CCCCCC(=O)CCCOC 1458a_100000741012_100010269958 [0,1,0,0,0,0|2,0,1]=4 2046 B12R0.47 C#CCCCCC(=O)CCCSC 1458a_100000173376_100010269958 [0,1,0,0,0,0|2,0,1]=4 2047 B12R0.47 C#CCCCCC(=O)CCOCC 1458a_100000696528_100011215890 [0,1,0,0,0,0|2,0,1]=4 2048 B12R0.47 C#CCCCCC(=O)CCOCC 1458a_100000749530_100010269958 [0,1,0,0,0,0|2,0,1]=4 2049 B12R0.47 C#CCCCCC(=O)CCSCC 1458a_100000230768_100010269958 [0,1,0,0,0,0|2,0,1]=4 2050 B12R0.47 C#CCCCCC(=O)CCSCC 1458a_100000696528_100000757381 [0,1,0,0,0,0|2,0,1]=4 2051 B12R0.47 C#CCCCCC(=O)COCCC 1458a_100000745993_100010269958 [0,1,0,0,0,0|2,0,1]=4 2052 B12R0.47 C#CCCCCC(=O)CSCCC 1458a_100000217233_100010269958 [0,1,0,0,0,0|2,0,1]=4 2053 B12R0.47 C#CCCCCC(=O)NCCCC 11a_100000102301_100000696528 [0,1,0,0,0,0|1,0,1]=3 2054 B12R0.47 C#CCCCCC(=O)NCCCC 1626a_100000102301_100000696528 [0,1,0,0,0,0|1,0,1]=3 2055 B12R0.47 C#CCCCCC(=O)NCCCC 240690a_100000102301_100000696528 [0,1,0,0,0,0|1,0,1]=3 2056 B12R0.47 C#CCCCCC(=O)NCCCC 527a_100000102301_100000696528 [0,1,0,0,0,0|1,0,1]=3 2057 B12R0.47 C#CCCCCC(=O)NCCCF 11a_100015189416_100000696528 [0,1,0,0,0,0|2,0,1]=4 2058 B12R0.47 C#CCCCCC(=O)NCCCF 1626a_100015189416_100000696528 [0,1,0,0,0,0|2,0,1]=4 2059 B12R0.47 C#CCCCCC(=O)NCCCF 240690a_100015189416_100000696528 [0,1,0,0,0,0|2,0,1]=4 2060 B12R0.47 C#CCCCCC(=O)NCCCF 527a_100015189416_100000696528 [0,1,0,0,0,0|2,0,1]=4 2061 B12R0.47 C#CCCCCC(=O)NCCCO 240690a_100000182051_100000696528 [0,1,0,0,0,0|2,0,1]=4 2062 B12R0.47 C#CCCCCC(=O)NCCCO 527a_100000182051_100000696528 [0,1,0,0,0,0|2,0,1]=4 2063 B12R0.47 C#CCCCCC(=O)NCCOC 1626a_100000209980_100000696528 [0,1,0,0,0,0|2,0,1]=4 2064 B12R0.47 C#CCCCCC(=O)NCCOC 240690a_100000209980_100000696528 [0,1,0,0,0,0|2,0,1]=4 2065 B12R0.47 C#CCCCCC(=O)NCCOC 527a_100000209980_100000696528 [0,1,0,0,0,0|2,0,1]=4 2066 B12R0.47 C#CCCCCC(=O)NCCSC 11a_100020590264_100000696528 [0,1,0,0,0,0|2,0,1]=4 2067 B12R0.47 C#CCCCCC(=O)NCCSC 1626a_100020590264_100000696528 [0,1,0,0,0,0|2,0,1]=4 2068 B12R0.47 C#CCCCCC(=O)NCCSC 240690a_100020590264_100000696528 [0,1,0,0,0,0|2,0,1]=4 2069 B12R0.47 C#CCCCCC(=O)NCCSC 527a_100020590264_100000696528 [0,1,0,0,0,0|2,0,1]=4 2070 B12R0.47 C#CCCCCC(=O)NNCCC 22a_100000740057_100000696528 [0,1,0,0,0,0|2,0,1]=4 2071 B12R0.47 C#CCCCNC(=O)CCCCC 11a_100000718082_100000212188 [0,1,0,0,0,0|1,0,1]=3 2072 B12R0.47 C#CCCCNC(=O)CCCCC 1626a_100000718082_100000212188 [0,1,0,0,0,0|1,0,1]=3 2073 B12R0.47 C#CCCCNC(=O)CCCCC 240690a_100000718082_100000212188 [0,1,0,0,0,0|1,0,1]=3 2074 B12R0.47 C#CCCCNC(=O)CCCCC 527a_100000718082_100000212188 [0,1,0,0,0,0|1,0,1]=3 2075 B12R0.47 C#CCCCNC(=O)CCCCO 1626a_100000718082_100000695505 [0,1,0,0,0,0|2,0,1]=4 2076 B12R0.47 C#CCCCNC(=O)CCCOC 11a_100000718082_100000741012 [0,1,0,0,0,0|2,0,1]=4 2077 B12R0.47 C#CCCCNC(=O)CCCOC 1626a_100000718082_100000741012 [0,1,0,0,0,0|2,0,1]=4 2078 B12R0.47 C#CCCCNC(=O)CCCOC 240690a_100000718082_100000741012 [0,1,0,0,0,0|2,0,1]=4 2079 B12R0.47 C#CCCCNC(=O)CCCOC 527a_100000718082_100000741012 [0,1,0,0,0,0|2,0,1]=4 2080 B12R0.47 C#CCCCNC(=O)CCCSC 11a_100000718082_100000173376 [0,1,0,0,0,0|2,0,1]=4 2081 B12R0.47 C#CCCCNC(=O)CCCSC 1626a_100000718082_100000173376 [0,1,0,0,0,0|2,0,1]=4 2082 B12R0.47 C#CCCCNC(=O)CCCSC 240690a_100000718082_100000173376 [0,1,0,0,0,0|2,0,1]=4 2083 B12R0.47 C#CCCCNC(=O)CCCSC 527a_100000718082_100000173376 [0,1,0,0,0,0|2,0,1]=4 2084 B12R0.47 C#CCCCNC(=O)CCOCC 11a_100000718082_100000749530 [0,1,0,0,0,0|2,0,1]=4 2085 B12R0.47 C#CCCCNC(=O)CCOCC 1626a_100000718082_100000749530 [0,1,0,0,0,0|2,0,1]=4 2086 B12R0.47 C#CCCCNC(=O)CCOCC 240690a_100000718082_100000749530 [0,1,0,0,0,0|2,0,1]=4 2087 B12R0.47 C#CCCCNC(=O)CCOCC 527a_100000718082_100000749530 [0,1,0,0,0,0|2,0,1]=4 2088 B12R0.47 C#CCCCNC(=O)CCSCC 11a_100000718082_100000230768 [0,1,0,0,0,0|2,0,1]=4 2089 B12R0.47 C#CCCCNC(=O)CCSCC 1626a_100000718082_100000230768 [0,1,0,0,0,0|2,0,1]=4 2090 B12R0.47 C#CCCCNC(=O)CCSCC 240690a_100000718082_100000230768 [0,1,0,0,0,0|2,0,1]=4 2091 B12R0.47 C#CCCCNC(=O)CCSCC 527a_100000718082_100000230768 [0,1,0,0,0,0|2,0,1]=4 2092 B12R0.47 C#CCCCNC(=O)COCCC 11a_100000718082_100000745993 [0,1,0,0,0,0|2,0,1]=4 2093 B12R0.47 C#CCCCNC(=O)COCCC 1626a_100000718082_100000745993 [0,1,0,0,0,0|2,0,1]=4 2094 B12R0.47 C#CCCCNC(=O)COCCC 240690a_100000718082_100000745993 [0,1,0,0,0,0|2,0,1]=4 2095 B12R0.47 C#CCCCNC(=O)COCCC 527a_100000718082_100000745993 [0,1,0,0,0,0|2,0,1]=4 2096 B12R0.47 C#CCCCNC(=O)CSCCC 11a_100000718082_100000217233 [0,1,0,0,0,0|2,0,1]=4 2097 B12R0.47 C#CCCCNC(=O)CSCCC 1626a_100000718082_100000217233 [0,1,0,0,0,0|2,0,1]=4 2098 B12R0.47 C#CCCCNC(=O)CSCCC 240690a_100000718082_100000217233 [0,1,0,0,0,0|2,0,1]=4 2099 B12R0.47 C#CCCCNC(=O)CSCCC 527a_100000718082_100000217233 [0,1,0,0,0,0|2,0,1]=4 2100 B12R0.47 C#CCCCNC(=O)NCCCC 2708a_100000102301_100000718082 [0,1,0,0,0,0|1,0,2]=4 2101 B12R0.47 C#CCCCNC(=O)NCCCC 2708a_100000718082_100000102301 [0,1,0,0,0,0|1,0,2]=4 2102 B12R0.47 C#CCCCNC(=O)NCCCC 273464a_100000102301_100000718082 [0,1,0,0,0,0|1,0,2]=4 2103 B12R0.47 C#CCCCNC(=O)NCCCC 273464a_100000718082_100000102301 [0,1,0,0,0,0|1,0,2]=4 2104 B12R0.47 C#CCCCNC(=O)NCCCC 512a_100000102301_100000718082 [0,1,0,0,0,0|1,0,2]=4 2105 B12R0.47 C#CCCCNC(=O)NCCCC 512a_100000718082_100000102301 [0,1,0,0,0,0|1,0,2]=4 2106 B12R0.47 C#CCCCOC(C)CCCCC 34a_100000215630_200011218191 [0,1,0,0,0,0|1,0,2]=4 2107 B12R0.47 C#CCCCOC(C)CCCCC 34a_100011215632_100000695029 [0,1,0,0,0,0|1,0,2]=4 2108 B12R0.47 C#CCCCOC(C)CCCCC 7a_100000215630_200011218191 [0,1,0,0,0,0|1,0,2]=4 2109 B12R0.47 C#CCCCOC(C)CCCCC 7a_100011215632_100011215417 [0,1,0,0,0,0|1,0,2]=4 2110 B12R0.47 C#CCCNC(=O)CCCCCC 11a_100000755551_100102632555 [0,1,0,0,0,0|1,0,2]=4 2111 B12R0.47 C#CCCNC(=O)CCCCCC 1626a_100000755551_100102632555 [0,1,0,0,0,0|1,0,2]=4 2112 B12R0.47 C#CCCNC(=O)CCCCCC 240690a_100000755551_100102632555 [0,1,0,0,0,0|1,0,2]=4 2113 B12R0.47 C#CCCNC(=O)CCCCCC 527a_100000755551_100102632555 [0,1,0,0,0,0|1,0,2]=4 2114 B12R0.47 C#CCCNC(=O)CCCCCO 240690a_100000755551_100102619762 [0,1,0,0,0,0|1,0,2]=4 2115 B12R0.47 C#CCCNC(=O)COCCCC 11a_100000755551_100000757543 [0,1,0,0,0,0|1,0,2]=4 2116 B12R0.47 C#CCCNC(=O)COCCCC 1626a_100000755551_100000757543 [0,1,0,0,0,0|1,0,2]=4 2117 B12R0.47 C#CCCNC(=O)COCCCC 240690a_100000755551_100000757543 [0,1,0,0,0,0|1,0,2]=4 2118 B12R0.47 C#CCCNC(=O)COCCCC 527a_100000755551_100000757543 [0,1,0,0,0,0|1,0,2]=4 2119 B12R0.47 C#CCCNC(=O)CSCCCC 11a_100000755551_100000191162 [0,1,0,0,0,0|1,0,2]=4 2120 B12R0.47 C#CCCNC(=O)CSCCCC 1626a_100000755551_100000191162 [0,1,0,0,0,0|1,0,2]=4 2121 B12R0.47 C#CCCNC(=O)CSCCCC 240690a_100000755551_100000191162 [0,1,0,0,0,0|1,0,2]=4 2122 B12R0.47 C#CCCNC(=O)CSCCCC 527a_100000755551_100000191162 [0,1,0,0,0,0|1,0,2]=4 2123 B12R0.47 C#CCCNC(=O)NCCCCC 2708a_100000209983_100000755551 [0,1,0,0,0,0|1,0,2]=4 2124 B12R0.47 C#CCCNC(=O)NCCCCC 2708a_100000755551_100000209983 [0,1,0,0,0,0|1,0,2]=4 2125 B12R0.47 C#CCCNC(=O)NCCCCC 273464a_100000209983_100000755551 [0,1,0,0,0,0|1,0,2]=4 2126 B12R0.47 C#CCCNC(=O)NCCCCC 273464a_100000755551_100000209983 [0,1,0,0,0,0|1,0,2]=4 2127 B12R0.47 C#CCCNC(=O)NCCCCC 512a_100000209983_100000755551 [0,1,0,0,0,0|1,0,2]=4 2128 B12R0.47 C#CCCNC(=O)NCCCCC 512a_100000755551_100000209983 [0,1,0,0,0,0|1,0,2]=4 2129 B12R0.47 C#CCCNCC(=O)CCCCC 34a_100000755551_200012276598 [0,1,0,0,0,0|1,0,2]=4 2130 B12R0.47 C#CCCNCC(=O)NCCCC 34a_100000755551_100000182744 [0,1,0,0,0,0|1,0,2]=4 2131 B12R0.47 C#CCCNCC(=O)OCCCC 34a_100000755551_100000211628 [0,1,0,0,0,0|0,0,2]=3 2132 B12R0.47 C#CCCNCC(=O)OCCOC 34a_100000755551_200000040189 [0,1,0,0,0,0|1,0,2]=4 2133 B12R0.47 C#CCCOCC(=O)CCCCC 34a_100011215631_200012276598 [0,1,0,0,0,0|0,0,2]=3 2134 B12R0.47 C#CCCOCC(=O)NCCCC 34a_100011215631_100000182744 [0,1,0,0,0,0|1,0,2]=4 2135 B12R0.47 C#CCCOCC(=O)OCCCC 34a_100011215631_100000211628 [0,1,0,0,0,0|0,0,2]=3 2136 B12R0.47 C#CCCOCC(=O)OCCOC 34a_100011215631_200000040189 [0,1,0,0,0,0|1,0,2]=4 2137 B12R0.47 C#CCCSCC(=O)CCCCC 62a_100000688953_200012276598 [0,1,0,0,0,0|0,1,2]=4 2138 B12R0.47 C#CCCSCC(=O)CCCCC 62a_200012276598_100000688953 [0,1,0,0,0,0|0,1,2]=4 2139 B12R0.47 C#CCCSCC(=O)NCCCC 62a_100000182744_100000688953 [0,1,0,0,0,0|1,0,2]=4 2140 B12R0.47 C#CCCSCC(=O)NCCCC 62a_100000688953_100000182744 [0,1,0,0,0,0|1,0,2]=4 2141 B12R0.47 C#CCCSCC(=O)OCCCC 62a_100000211628_100000688953 [0,1,0,0,0,0|0,0,2]=3 2142 B12R0.47 C#CCCSCC(=O)OCCCC 62a_100000688953_100000211628 [0,1,0,0,0,0|0,0,2]=3 2143 B12R0.47 C#CCCSCC(=O)OCCOC 62a_100000688953_200000040189 [0,1,0,0,0,0|1,0,2]=4 2144 B12R0.47 C#CCCSCC(=O)OCCOC 62a_200000040189_100000688953 [0,1,0,0,0,0|1,0,2]=4 2145 B12R0.47 C#CCNCC(=O)OCCOCC 34a_100000212058_200000101388 [0,1,0,0,0,0|1,0,2]=4 2146 B12R0.47 C#CCOCC(=O)COCCCC 1458a_100011251226_100011995733 [0,1,0,0,0,0|1,0,2]=4 2147 B12R0.47 C#CCOCC(=O)OCCOCC 34a_100000210247_200000101388 [0,1,0,0,0,0|1,0,2]=4 2148 B12R0.47 C#CCOCCC(=O)CCCCC 1458a_100000212188_100010402529 [0,1,0,0,0,0|1,0,2]=4 2149 B12R0.47 C#CCOCCC(=O)CCCCC 1458a_100000693358_100000210326 [0,1,0,0,0,0|1,0,2]=4 2150 B12R0.47 C#CCOCCC(=O)NCCCC 11a_100000102301_100000693358 [0,1,0,0,0,0|1,0,2]=4 2151 B12R0.47 C#CCOCCC(=O)NCCCC 1626a_100000102301_100000693358 [0,1,0,0,0,0|1,0,2]=4 2152 B12R0.47 C#CCOCCC(=O)NCCCC 240690a_100000102301_100000693358 [0,1,0,0,0,0|1,0,2]=4 2153 B12R0.47 C#CCOCCC(=O)NCCCC 527a_100000102301_100000693358 [0,1,0,0,0,0|1,0,2]=4 2154 B12R0.47 C#CCSCC(=O)OCCOCC 62a_100000038162_200000101388 [0,1,0,0,0,0|1,0,2]=4 2155 B12R0.47 C/C=C/CCOC(C)CCCCC 34a_100016278192_200011218191 [0,1,0,0,0,0|1,0,2]=4 2156 B12R0.47 C/C=C/COCC(=O)CCCCC 34a_100016270725_200012276598 [0,1,0,0,0,0|0,0,2]=3 2157 B12R0.47 C/C=C/COCC(=O)NCCCC 34a_100016270725_100000182744 [0,1,0,0,0,0|1,0,2]=4 2158 B12R0.47 C/C=C/COCC(=O)OCCCC 34a_100016270725_100000211628 [0,1,0,0,0,0|0,0,2]=3 2159 B12R0.47 C/C=C/COCC(=O)OCCOC 34a_100016270725_200000040189 [0,1,0,0,0,0|1,0,2]=4 2160 B12R0.47 C/C=C/CSCC(=O)CCCCC 62a_100102629194_200012276598 [0,1,0,0,0,0|0,1,2]=4 2161 B12R0.47 C/C=C/CSCC(=O)CCCCC 62a_200012276598_100102629194 [0,1,0,0,0,0|0,1,2]=4 2162 B12R0.47 C/C=C/CSCC(=O)NCCCC 62a_100000182744_100102629194 [0,1,0,0,0,0|1,0,2]=4 2163 B12R0.47 C/C=C/CSCC(=O)NCCCC 62a_100102629194_100000182744 [0,1,0,0,0,0|1,0,2]=4 2164 B12R0.47 C/C=C/CSCC(=O)OCCCC 62a_100000211628_100102629194 [0,1,0,0,0,0|0,0,2]=3 2165 B12R0.47 C/C=C/CSCC(=O)OCCCC 62a_100102629194_100000211628 [0,1,0,0,0,0|0,0,2]=3 2166 B12R0.47 C/C=C/CSCC(=O)OCCOC 62a_100102629194_200000040189 [0,1,0,0,0,0|1,0,2]=4 2167 B12R0.47 C/C=C/CSCC(=O)OCCOC 62a_200000040189_100102629194 [0,1,0,0,0,0|1,0,2]=4 2168 B12R0.47 C=CCCCC(=O)C=CCCCC 1458a_100016266645_100000757094 [0,1,0,0,0,0|1,0,2]=4 2169 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,1,0,0,0,0|1,0,2]=4 2170 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,1,0,0,0,0|1,0,2]=4 2171 B12R0.47 C=CCCCC(=O)CCCCCF 1458a_100000766728_100000729378 [0,1,0,0,0,0|1,0,2]=4 2172 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,1,0,0,0,0|1,0,2]=4 2173 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,1,0,0,0,0|1,0,2]=4 2174 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [0,1,0,0,0,0|1,0,2]=4 2175 B12R0.47 C=CCCCC(=O)CCCOCC 1458a_100000766728_100012232248 [0,1,0,0,0,0|1,0,2]=4 2176 B12R0.47 C=CCCCC(=O)CCOCCC 1458a_100000766728_100011215938 [0,1,0,0,0,0|1,0,2]=4 2177 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000757543_100000757094 [0,1,0,0,0,0|0,0,2]=3 2178 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000766728_100011995733 [0,1,0,0,0,0|0,0,2]=3 2179 B12R0.47 C=CCCCC(=O)COCCOC 1458a_100000211095_100000757094 [0,1,0,0,0,0|1,0,2]=4 2180 B12R0.47 C=CCCCC(=O)CSCCCC 1458a_100000191162_100000757094 [0,1,0,0,0,0|0,1,2]=4 2181 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [0,1,0,0,0,0|1,0,2]=4 2182 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [0,1,0,0,0,0|1,0,2]=4 2183 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [0,1,0,0,0,0|1,0,2]=4 2184 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [0,1,0,0,0,0|1,0,2]=4 2185 B12R0.47 C=CCCCC(=O)NCCCCO 240690a_100000750430_100000766728 [0,1,0,0,0,0|1,0,2]=4 2186 B12R0.47 C=CCCCC(=O)NCCCCO 527a_100000750430_100000766728 [0,1,0,0,0,0|1,0,2]=4 2187 B12R0.47 C=CCCCC(=O)NCCCOC 1626a_100150723488_100000766728 [0,1,0,0,0,0|1,0,2]=4 2188 B12R0.47 C=CCCCC(=O)NCCCOC 240690a_100150723488_100000766728 [0,1,0,0,0,0|1,0,2]=4 2189 B12R0.47 C=CCCCC(=O)NCCCOC 527a_100150723488_100000766728 [0,1,0,0,0,0|1,0,2]=4 2190 B12R0.47 C=CCCCC(=O)NCCCSC 11a_100000749238_100000766728 [0,1,0,0,0,0|1,0,2]=4 2191 B12R0.47 C=CCCCC(=O)NCCCSC 1626a_100000749238_100000766728 [0,1,0,0,0,0|1,0,2]=4 2192 B12R0.47 C=CCCCC(=O)NCCCSC 240690a_100000749238_100000766728 [0,1,0,0,0,0|1,0,2]=4 2193 B12R0.47 C=CCCCC(=O)NCCCSC 527a_100000749238_100000766728 [0,1,0,0,0,0|1,0,2]=4 2194 B12R0.47 C=CCCCC(=O)NCCOCC 11a_100011200944_100000766728 [0,1,0,0,0,0|1,0,2]=4 2195 B12R0.47 C=CCCCC(=O)NCCOCC 1626a_102516460346_100000766728 [0,1,0,0,0,0|1,0,2]=4 2196 B12R0.47 C=CCCCC(=O)NCCOCC 240690a_100011200944_100000766728 [0,1,0,0,0,0|1,0,2]=4 2197 B12R0.47 C=CCCCC(=O)NCCOCC 527a_100011200944_100000766728 [0,1,0,0,0,0|1,0,2]=4 2198 B12R0.47 C=CCCCC(=O)NCCSCC 11a_100000106463_100000766728 [0,1,0,0,0,0|1,0,2]=4 2199 B12R0.47 C=CCCCC(=O)NCCSCC 1626a_100000106463_100000766728 [0,1,0,0,0,0|1,0,2]=4 2200 B12R0.47 C=CCCCC(=O)NCCSCC 240690a_100000106463_100000766728 [0,1,0,0,0,0|1,0,2]=4 2201 B12R0.47 C=CCCCC(=O)NCCSCC 527a_100000106463_100000766728 [0,1,0,0,0,0|1,0,2]=4 2202 B12R0.47 C=CCCCC(=O)NNCCCC 22a_100025702795_100000766728 [0,1,0,0,0,0|1,0,2]=4 2203 B12R0.47 C=CCCCCC(=O)C#CCCC 1458a_200011218047_100011215482 [0,1,0,0,0,0|1,0,2]=4 2204 B12R0.47 C=CCCCCC(=O)C=CCCC 1458a_100000212230_100011215482 [0,1,0,0,0,0|1,0,2]=4 2205 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [0,1,0,0,0,0|1,0,1]=3 2206 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [0,1,0,0,0,0|1,0,1]=3 2207 B12R0.47 C=CCCCCC(=O)CCCCF 1458a_100011215552_100000729493 [0,1,0,0,0,0|2,0,1]=4 2208 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [0,1,0,0,0,0|2,0,1]=4 2209 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [0,1,0,0,0,0|2,0,1]=4 2210 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100000741012_100011215482 [0,1,0,0,0,0|2,0,1]=4 2211 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100011215552_100000740836 [0,1,0,0,0,0|2,0,1]=4 2212 B12R0.47 C=CCCCCC(=O)CCCSC 1458a_100000173376_100011215482 [0,1,0,0,0,0|2,0,1]=4 2213 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100000749530_100011215482 [0,1,0,0,0,0|2,0,1]=4 2214 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100011215552_100011215890 [0,1,0,0,0,0|2,0,1]=4 2215 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100000230768_100011215482 [0,1,0,0,0,0|2,0,1]=4 2216 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100011215552_100000757381 [0,1,0,0,0,0|2,0,1]=4 2217 B12R0.47 C=CCCCCC(=O)COCCC 1458a_100000745993_100011215482 [0,1,0,0,0,0|2,0,1]=4 2218 B12R0.47 C=CCCCCC(=O)CSCCC 1458a_100000217233_100011215482 [0,1,0,0,0,0|2,0,1]=4 2219 B12R0.47 C=CCCCCC(=O)NCCCC 11a_100000102301_100011215552 [0,1,0,0,0,0|1,0,1]=3 2220 B12R0.47 C=CCCCCC(=O)NCCCC 1626a_100000102301_100011215552 [0,1,0,0,0,0|1,0,1]=3 2221 B12R0.47 C=CCCCCC(=O)NCCCC 240690a_100000102301_100011215552 [0,1,0,0,0,0|1,0,1]=3 2222 B12R0.47 C=CCCCCC(=O)NCCCC 527a_100000102301_100011215552 [0,1,0,0,0,0|1,0,1]=3 2223 B12R0.47 C=CCCCCC(=O)NCCCF 11a_100015189416_100011215552 [0,1,0,0,0,0|2,0,1]=4 2224 B12R0.47 C=CCCCCC(=O)NCCCF 1626a_100015189416_100011215552 [0,1,0,0,0,0|2,0,1]=4 2225 B12R0.47 C=CCCCCC(=O)NCCCF 240690a_100015189416_100011215552 [0,1,0,0,0,0|2,0,1]=4 2226 B12R0.47 C=CCCCCC(=O)NCCCF 527a_100015189416_100011215552 [0,1,0,0,0,0|2,0,1]=4 2227 B12R0.47 C=CCCCCC(=O)NCCCO 240690a_100000182051_100011215552 [0,1,0,0,0,0|2,0,1]=4 2228 B12R0.47 C=CCCCCC(=O)NCCCO 527a_100000182051_100011215552 [0,1,0,0,0,0|2,0,1]=4 2229 B12R0.47 C=CCCCCC(=O)NCCOC 1626a_100000209980_100011215552 [0,1,0,0,0,0|2,0,1]=4 2230 B12R0.47 C=CCCCCC(=O)NCCOC 240690a_100000209980_100011215552 [0,1,0,0,0,0|2,0,1]=4 2231 B12R0.47 C=CCCCCC(=O)NCCOC 527a_100000209980_100011215552 [0,1,0,0,0,0|2,0,1]=4 2232 B12R0.47 C=CCCCCC(=O)NCCSC 11a_100020590264_100011215552 [0,1,0,0,0,0|2,0,1]=4 2233 B12R0.47 C=CCCCCC(=O)NCCSC 1626a_100020590264_100011215552 [0,1,0,0,0,0|2,0,1]=4 2234 B12R0.47 C=CCCCCC(=O)NCCSC 240690a_100020590264_100011215552 [0,1,0,0,0,0|2,0,1]=4 2235 B12R0.47 C=CCCCCC(=O)NCCSC 527a_100020590264_100011215552 [0,1,0,0,0,0|2,0,1]=4 2236 B12R0.47 C=CCCCCC(=O)NNCCC 22a_100000740057_100011215552 [0,1,0,0,0,0|2,0,1]=4 2237 B12R0.47 C=CCCCNC(=O)CCCCC 11a_100000700776_100000212188 [0,1,0,0,0,0|1,0,1]=3 2238 B12R0.47 C=CCCCNC(=O)CCCCC 1626a_100000700776_100000212188 [0,1,0,0,0,0|1,0,1]=3 2239 B12R0.47 C=CCCCNC(=O)CCCCC 240690a_100000700776_100000212188 [0,1,0,0,0,0|1,0,1]=3 2240 B12R0.47 C=CCCCNC(=O)CCCCC 527a_100000700776_100000212188 [0,1,0,0,0,0|1,0,1]=3 2241 B12R0.47 C=CCCCNC(=O)CCCCO 1626a_100000700776_100000695505 [0,1,0,0,0,0|2,0,1]=4 2242 B12R0.47 C=CCCCNC(=O)CCCOC 11a_100000700776_100000741012 [0,1,0,0,0,0|2,0,1]=4 2243 B12R0.47 C=CCCCNC(=O)CCCOC 1626a_100000700776_100000741012 [0,1,0,0,0,0|2,0,1]=4 2244 B12R0.47 C=CCCCNC(=O)CCCOC 240690a_100000700776_100000741012 [0,1,0,0,0,0|2,0,1]=4 2245 B12R0.47 C=CCCCNC(=O)CCCOC 527a_100000700776_100000741012 [0,1,0,0,0,0|2,0,1]=4 2246 B12R0.47 C=CCCCNC(=O)CCCSC 11a_100000700776_100000173376 [0,1,0,0,0,0|2,0,1]=4 2247 B12R0.47 C=CCCCNC(=O)CCCSC 1626a_100000700776_100000173376 [0,1,0,0,0,0|2,0,1]=4 2248 B12R0.47 C=CCCCNC(=O)CCCSC 240690a_100000700776_100000173376 [0,1,0,0,0,0|2,0,1]=4 2249 B12R0.47 C=CCCCNC(=O)CCCSC 527a_100000700776_100000173376 [0,1,0,0,0,0|2,0,1]=4 2250 B12R0.47 C=CCCCNC(=O)CCOCC 11a_100000700776_100000749530 [0,1,0,0,0,0|2,0,1]=4 2251 B12R0.47 C=CCCCNC(=O)CCOCC 1626a_100000700776_100000749530 [0,1,0,0,0,0|2,0,1]=4 2252 B12R0.47 C=CCCCNC(=O)CCOCC 240690a_100000700776_100000749530 [0,1,0,0,0,0|2,0,1]=4 2253 B12R0.47 C=CCCCNC(=O)CCOCC 527a_100000700776_100000749530 [0,1,0,0,0,0|2,0,1]=4 2254 B12R0.47 C=CCCCNC(=O)CCSCC 11a_100000700776_100000230768 [0,1,0,0,0,0|2,0,1]=4 2255 B12R0.47 C=CCCCNC(=O)CCSCC 1626a_100000700776_100000230768 [0,1,0,0,0,0|2,0,1]=4 2256 B12R0.47 C=CCCCNC(=O)CCSCC 240690a_100000700776_100000230768 [0,1,0,0,0,0|2,0,1]=4 2257 B12R0.47 C=CCCCNC(=O)CCSCC 527a_100000700776_100000230768 [0,1,0,0,0,0|2,0,1]=4 2258 B12R0.47 C=CCCCNC(=O)COCCC 11a_100000700776_100000745993 [0,1,0,0,0,0|2,0,1]=4 2259 B12R0.47 C=CCCCNC(=O)COCCC 1626a_100000700776_100000745993 [0,1,0,0,0,0|2,0,1]=4 2260 B12R0.47 C=CCCCNC(=O)COCCC 240690a_100000700776_100000745993 [0,1,0,0,0,0|2,0,1]=4 2261 B12R0.47 C=CCCCNC(=O)COCCC 527a_100000700776_100000745993 [0,1,0,0,0,0|2,0,1]=4 2262 B12R0.47 C=CCCCNC(=O)CSCCC 11a_100000700776_100000217233 [0,1,0,0,0,0|2,0,1]=4 2263 B12R0.47 C=CCCCNC(=O)CSCCC 1626a_100000700776_100000217233 [0,1,0,0,0,0|2,0,1]=4 2264 B12R0.47 C=CCCCNC(=O)CSCCC 240690a_100000700776_100000217233 [0,1,0,0,0,0|2,0,1]=4 2265 B12R0.47 C=CCCCNC(=O)CSCCC 527a_100000700776_100000217233 [0,1,0,0,0,0|2,0,1]=4 2266 B12R0.47 C=CCCCNC(=O)NCCCC 2708a_100000102301_100000700776 [0,1,0,0,0,0|1,0,2]=4 2267 B12R0.47 C=CCCCNC(=O)NCCCC 2708a_100000700776_100000102301 [0,1,0,0,0,0|1,0,2]=4 2268 B12R0.47 C=CCCCNC(=O)NCCCC 273464a_100000102301_100000700776 [0,1,0,0,0,0|1,0,2]=4 2269 B12R0.47 C=CCCCNC(=O)NCCCC 273464a_100000700776_100000102301 [0,1,0,0,0,0|1,0,2]=4 2270 B12R0.47 C=CCCCNC(=O)NCCCC 512a_100000102301_100000700776 [0,1,0,0,0,0|1,0,2]=4 2271 B12R0.47 C=CCCCNC(=O)NCCCC 512a_100000700776_100000102301 [0,1,0,0,0,0|1,0,2]=4 2272 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,1,0,0,0,0|1,0,2]=4 2273 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,1,0,0,0,0|1,0,2]=4 2274 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,1,0,0,0,0|1,0,2]=4 2275 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,1,0,0,0,0|1,0,2]=4 2276 B12R0.47 C=CCCNC(=O)CCCCCC 11a_100015191253_100102632555 [0,1,0,0,0,0|1,0,2]=4 2277 B12R0.47 C=CCCNC(=O)CCCCCC 1626a_100015191253_100102632555 [0,1,0,0,0,0|1,0,2]=4 2278 B12R0.47 C=CCCNC(=O)CCCCCC 240690a_100015191253_100102632555 [0,1,0,0,0,0|1,0,2]=4 2279 B12R0.47 C=CCCNC(=O)CCCCCC 527a_100015191253_100102632555 [0,1,0,0,0,0|1,0,2]=4 2280 B12R0.47 C=CCCNC(=O)CCCCCO 240690a_100015191253_100102619762 [0,1,0,0,0,0|1,0,2]=4 2281 B12R0.47 C=CCCNC(=O)COCCCC 11a_100015191253_100000757543 [0,1,0,0,0,0|1,0,2]=4 2282 B12R0.47 C=CCCNC(=O)COCCCC 1626a_100015191253_100000757543 [0,1,0,0,0,0|1,0,2]=4 2283 B12R0.47 C=CCCNC(=O)COCCCC 240690a_100015191253_100000757543 [0,1,0,0,0,0|1,0,2]=4 2284 B12R0.47 C=CCCNC(=O)COCCCC 527a_100015191253_100000757543 [0,1,0,0,0,0|1,0,2]=4 2285 B12R0.47 C=CCCNC(=O)CSCCCC 11a_100015191253_100000191162 [0,1,0,0,0,0|1,0,2]=4 2286 B12R0.47 C=CCCNC(=O)CSCCCC 1626a_100015191253_100000191162 [0,1,0,0,0,0|1,0,2]=4 2287 B12R0.47 C=CCCNC(=O)CSCCCC 240690a_100015191253_100000191162 [0,1,0,0,0,0|1,0,2]=4 2288 B12R0.47 C=CCCNC(=O)CSCCCC 527a_100015191253_100000191162 [0,1,0,0,0,0|1,0,2]=4 2289 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100000209983_100015191253 [0,1,0,0,0,0|1,0,2]=4 2290 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100015191253_100000209983 [0,1,0,0,0,0|1,0,2]=4 2291 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100000209983_100015191253 [0,1,0,0,0,0|1,0,2]=4 2292 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100015191253_100000209983 [0,1,0,0,0,0|1,0,2]=4 2293 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100000209983_100015191253 [0,1,0,0,0,0|1,0,2]=4 2294 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100015191253_100000209983 [0,1,0,0,0,0|1,0,2]=4 2295 B12R0.47 C=CCCNCC(=O)CCCCC 2230a_100015191253_200012276598 [0,1,0,0,0,0|1,0,2]=4 2296 B12R0.47 C=CCCNCC(=O)NCCCC 2230a_100015191253_100000182744 [0,1,0,0,0,0|1,0,2]=4 2297 B12R0.47 C=CCCNCC(=O)OCCCC 2230a_100015191253_100000211628 [0,1,0,0,0,0|0,0,2]=3 2298 B12R0.47 C=CCCNCC(=O)OCCOC 2230a_100015191253_200000040189 [0,1,0,0,0,0|1,0,2]=4 2299 B12R0.47 C=CCCOCC(=O)CCCCC 34a_100011205117_200012276598 [0,1,0,0,0,0|0,0,2]=3 2300 B12R0.47 C=CCCOCC(=O)NCCCC 34a_100011205117_100000182744 [0,1,0,0,0,0|1,0,2]=4 2301 B12R0.47 C=CCCOCC(=O)OCCCC 34a_100011205117_100000211628 [0,1,0,0,0,0|0,0,2]=3 2302 B12R0.47 C=CCCOCC(=O)OCCOC 34a_100011205117_200000040189 [0,1,0,0,0,0|1,0,2]=4 2303 B12R0.47 C=CCCSCC(=O)CCCCC 62a_100000754431_200012276598 [0,1,0,0,0,0|0,1,2]=4 2304 B12R0.47 C=CCCSCC(=O)CCCCC 62a_200012276598_100000754431 [0,1,0,0,0,0|0,1,2]=4 2305 B12R0.47 C=CCCSCC(=O)NCCCC 62a_100000182744_100000754431 [0,1,0,0,0,0|1,0,2]=4 2306 B12R0.47 C=CCCSCC(=O)NCCCC 62a_100000754431_100000182744 [0,1,0,0,0,0|1,0,2]=4 2307 B12R0.47 C=CCCSCC(=O)OCCCC 62a_100000211628_100000754431 [0,1,0,0,0,0|0,0,2]=3 2308 B12R0.47 C=CCCSCC(=O)OCCCC 62a_100000754431_100000211628 [0,1,0,0,0,0|0,0,2]=3 2309 B12R0.47 C=CCCSCC(=O)OCCOC 62a_100000754431_200000040189 [0,1,0,0,0,0|1,0,2]=4 2310 B12R0.47 C=CCCSCC(=O)OCCOC 62a_200000040189_100000754431 [0,1,0,0,0,0|1,0,2]=4 2311 B12R0.47 C=CCNCC(=O)OCCOCC 2230a_100020586998_200000101388 [0,1,0,0,0,0|1,0,2]=4 2312 B12R0.47 C=CCOCC(=O)OCCOCC 34a_200000210373_200000101388 [0,1,0,0,0,0|1,0,2]=4 2313 B12R0.47 C=CCOCCC(=O)CCCCC 1458a_200011217002_100000210326 [0,1,0,0,0,0|1,0,2]=4 2314 B12R0.47 C=CCOCCC(=O)NCCCC 11a_100000102301_200011217002 [0,1,0,0,0,0|1,0,2]=4 2315 B12R0.47 C=CCOCCC(=O)NCCCC 1626a_100000102301_200011217002 [0,1,0,0,0,0|1,0,2]=4 2316 B12R0.47 C=CCOCCC(=O)NCCCC 240690a_100000102301_200011217002 [0,1,0,0,0,0|1,0,2]=4 2317 B12R0.47 C=CCOCCC(=O)NCCCC 527a_100000102301_200011217002 [0,1,0,0,0,0|1,0,2]=4 2318 B12R0.47 C=CCSCC(=O)COCCCC 1458a_100000230395_100011995733 [0,1,0,0,0,0|1,0,2]=4 2319 B12R0.47 C=CCSCC(=O)OCCOCC 62a_100000210623_200000101388 [0,1,0,0,0,0|1,0,2]=4 2320 B12R0.47 C=CCSCC(=O)OCCOCC 62a_200000101388_100000210623 [0,1,0,0,0,0|1,0,2]=4 2321 B12R0.47 C=COCCC(=O)COCCCC 1458a_100000757543_100000039644 [0,1,0,0,0,0|1,0,2]=4 2322 B12R0.47 CC#CCCOC(C)CCCCC 34a_100000750427_200011218191 [0,1,0,0,0,0|1,0,2]=4 2323 B12R0.47 CC#CCNC(=O)CCCCCC 11a_100000685387_100102632555 [0,1,0,0,0,0|1,0,2]=4 2324 B12R0.47 CC#CCNC(=O)CCCCCC 1626a_100000685387_100102632555 [0,1,0,0,0,0|1,0,2]=4 2325 B12R0.47 CC#CCNC(=O)CCCCCC 527a_100000685387_100102632555 [0,1,0,0,0,0|1,0,2]=4 2326 B12R0.47 CC#CCNC(=O)COCCCC 11a_100000685387_100000757543 [0,1,0,0,0,0|1,0,2]=4 2327 B12R0.47 CC#CCNC(=O)COCCCC 1626a_100000685387_100000757543 [0,1,0,0,0,0|1,0,2]=4 2328 B12R0.47 CC#CCNC(=O)COCCCC 527a_100000685387_100000757543 [0,1,0,0,0,0|1,0,2]=4 2329 B12R0.47 CC#CCNC(=O)CSCCCC 11a_100000685387_100000191162 [0,1,0,0,0,0|1,0,2]=4 2330 B12R0.47 CC#CCNC(=O)CSCCCC 1626a_100000685387_100000191162 [0,1,0,0,0,0|1,0,2]=4 2331 B12R0.47 CC#CCNC(=O)CSCCCC 527a_100000685387_100000191162 [0,1,0,0,0,0|1,0,2]=4 2332 B12R0.47 CC#CCNC(=O)NCCCCC 2708a_100000209983_100000685387 [0,1,0,0,0,0|1,0,2]=4 2333 B12R0.47 CC#CCNC(=O)NCCCCC 273464a_100000209983_100000685387 [0,1,0,0,0,0|1,0,2]=4 2334 B12R0.47 CC#CCNC(=O)NCCCCC 273464a_100000685387_100000209983 [0,1,0,0,0,0|1,0,2]=4 2335 B12R0.47 CC#CCNC(=O)NCCCCC 512a_100000209983_100000685387 [0,1,0,0,0,0|1,0,2]=4 2336 B12R0.47 CC#CCNC(=O)NCCCCC 512a_100000685387_100000209983 [0,1,0,0,0,0|1,0,2]=4 2337 B12R0.47 CC#CCNCC(=O)CCCCC 2230a_100000685387_200012276598 [0,1,0,0,0,0|1,0,2]=4 2338 B12R0.47 CC#CCNCC(=O)CCCCC 34a_100000685387_200012276598 [0,1,0,0,0,0|1,0,2]=4 2339 B12R0.47 CC#CCNCC(=O)NCCCC 2230a_100000685387_100000182744 [0,1,0,0,0,0|1,0,2]=4 2340 B12R0.47 CC#CCNCC(=O)NCCCC 34a_100000685387_100000182744 [0,1,0,0,0,0|1,0,2]=4 2341 B12R0.47 CC#CCNCC(=O)OCCCC 2230a_100000685387_100000211628 [0,1,0,0,0,0|0,0,2]=3 2342 B12R0.47 CC#CCNCC(=O)OCCCC 34a_100000685387_100000211628 [0,1,0,0,0,0|0,0,2]=3 2343 B12R0.47 CC#CCNCC(=O)OCCOC 2230a_100000685387_200000040189 [0,1,0,0,0,0|1,0,2]=4 2344 B12R0.47 CC#CCNCC(=O)OCCOC 34a_100000685387_200000040189 [0,1,0,0,0,0|1,0,2]=4 2345 B12R0.47 CC#CCOCC(=O)CCCCC 34a_100000761923_200012276598 [0,1,0,0,0,0|0,0,2]=3 2346 B12R0.47 CC#CCOCC(=O)NCCCC 34a_100000761923_100000182744 [0,1,0,0,0,0|1,0,2]=4 2347 B12R0.47 CC#CCOCC(=O)OCCCC 34a_100000761923_100000211628 [0,1,0,0,0,0|0,0,2]=3 2348 B12R0.47 CC#CCOCC(=O)OCCOC 34a_100000761923_200000040189 [0,1,0,0,0,0|1,0,2]=4 2349 B12R0.47 CC#CCSCC(=O)CCCCC 62a_100000748600_200012276598 [0,1,0,0,0,0|0,1,2]=4 2350 B12R0.47 CC#CCSCC(=O)CCCCC 62a_200012276598_100000748600 [0,1,0,0,0,0|0,1,2]=4 2351 B12R0.47 CC#CCSCC(=O)NCCCC 62a_100000182744_100000748600 [0,1,0,0,0,0|1,0,2]=4 2352 B12R0.47 CC#CCSCC(=O)NCCCC 62a_100000748600_100000182744 [0,1,0,0,0,0|1,0,2]=4 2353 B12R0.47 CC#CCSCC(=O)OCCCC 62a_100000211628_100000748600 [0,1,0,0,0,0|0,0,2]=3 2354 B12R0.47 CC#CCSCC(=O)OCCCC 62a_100000748600_100000211628 [0,1,0,0,0,0|0,0,2]=3 2355 B12R0.47 CC#CCSCC(=O)OCCOC 62a_100000748600_200000040189 [0,1,0,0,0,0|1,0,2]=4 2356 B12R0.47 CC#CCSCC(=O)OCCOC 62a_200000040189_100000748600 [0,1,0,0,0,0|1,0,2]=4 2357 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [0,1,0,0,0,0|1,0,2]=4 2358 B12R0.47 CC/C=C/CC(=O)CCCCCF 1458a_100016274230_100000729378 [0,1,0,0,0,0|1,0,2]=4 2359 B12R0.47 CC/C=C/CC(=O)CCCCCO 1458a_100016274230_100000746330 [0,1,0,0,0,0|1,0,2]=4 2360 B12R0.47 CC/C=C/CC(=O)CCCCOC 1458a_100016274230_100000755781 [0,1,0,0,0,0|1,0,2]=4 2361 B12R0.47 CC/C=C/CC(=O)CCCOCC 1458a_100016274230_100012232248 [0,1,0,0,0,0|1,0,2]=4 2362 B12R0.47 CC/C=C/CC(=O)CCOCCC 1458a_100016274230_100011215938 [0,1,0,0,0,0|1,0,2]=4 2363 B12R0.47 CC/C=C/CC(=O)COCCCC 1458a_100016274230_100011995733 [0,1,0,0,0,0|0,0,2]=3 2364 B12R0.47 CC/C=C/CC(=O)NCCCCC 11a_100000209983_100016274230 [0,1,0,0,0,0|1,0,2]=4 2365 B12R0.47 CC/C=C/CC(=O)NCCCCC 1626a_100000209983_100016274230 [0,1,0,0,0,0|1,0,2]=4 2366 B12R0.47 CC/C=C/CC(=O)NCCCCC 240690a_100000209983_100016274230 [0,1,0,0,0,0|1,0,2]=4 2367 B12R0.47 CC/C=C/CC(=O)NCCCCC 527a_100000209983_100016274230 [0,1,0,0,0,0|1,0,2]=4 2368 B12R0.47 CC/C=C/CC(=O)NCCCCO 240690a_100000750430_100016274230 [0,1,0,0,0,0|1,0,2]=4 2369 B12R0.47 CC/C=C/CC(=O)NCCCCO 527a_100000750430_100016274230 [0,1,0,0,0,0|1,0,2]=4 2370 B12R0.47 CC/C=C/CC(=O)NCCCOC 1626a_100150723488_100016274230 [0,1,0,0,0,0|1,0,2]=4 2371 B12R0.47 CC/C=C/CC(=O)NCCCOC 240690a_100150723488_100016274230 [0,1,0,0,0,0|1,0,2]=4 2372 B12R0.47 CC/C=C/CC(=O)NCCCOC 527a_100150723488_100016274230 [0,1,0,0,0,0|1,0,2]=4 2373 B12R0.47 CC/C=C/CC(=O)NCCCSC 11a_100000749238_100016274230 [0,1,0,0,0,0|1,0,2]=4 2374 B12R0.47 CC/C=C/CC(=O)NCCCSC 1626a_100000749238_100016274230 [0,1,0,0,0,0|1,0,2]=4 2375 B12R0.47 CC/C=C/CC(=O)NCCCSC 240690a_100000749238_100016274230 [0,1,0,0,0,0|1,0,2]=4 2376 B12R0.47 CC/C=C/CC(=O)NCCCSC 527a_100000749238_100016274230 [0,1,0,0,0,0|1,0,2]=4 2377 B12R0.47 CC/C=C/CC(=O)NCCOCC 11a_100011200944_100016274230 [0,1,0,0,0,0|1,0,2]=4 2378 B12R0.47 CC/C=C/CC(=O)NCCOCC 1626a_102516460346_100016274230 [0,1,0,0,0,0|1,0,2]=4 2379 B12R0.47 CC/C=C/CC(=O)NCCOCC 240690a_100011200944_100016274230 [0,1,0,0,0,0|1,0,2]=4 2380 B12R0.47 CC/C=C/CC(=O)NCCOCC 527a_100011200944_100016274230 [0,1,0,0,0,0|1,0,2]=4 2381 B12R0.47 CC/C=C/CC(=O)NCCSCC 11a_100000106463_100016274230 [0,1,0,0,0,0|1,0,2]=4 2382 B12R0.47 CC/C=C/CC(=O)NCCSCC 1626a_100000106463_100016274230 [0,1,0,0,0,0|1,0,2]=4 2383 B12R0.47 CC/C=C/CC(=O)NCCSCC 240690a_100000106463_100016274230 [0,1,0,0,0,0|1,0,2]=4 2384 B12R0.47 CC/C=C/CC(=O)NCCSCC 527a_100000106463_100016274230 [0,1,0,0,0,0|1,0,2]=4 2385 B12R0.47 CC/C=C/CC(=O)NNCCCC 22a_100025702795_100016274230 [0,1,0,0,0,0|1,0,2]=4 2386 B12R0.47 CC/C=C\CC(=O)C=CCCCC 1458a_100016266645_100103147603 [0,1,0,0,0,0|1,0,2]=4 2387 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [0,1,0,0,0,0|1,0,2]=4 2388 B12R0.47 CC/C=C\CC(=O)CCCCCO 1458a_100102619762_100103147603 [0,1,0,0,0,0|1,0,2]=4 2389 B12R0.47 CC/C=C\CC(=O)COCCCC 1458a_100000757543_100103147603 [0,1,0,0,0,0|0,0,2]=3 2390 B12R0.47 CC/C=C\CC(=O)COCCOC 1458a_100000211095_100103147603 [0,1,0,0,0,0|1,0,2]=4 2391 B12R0.47 CC/C=C\CC(=O)CSCCCC 1458a_100000191162_100103147603 [0,1,0,0,0,0|0,1,2]=4 2392 B12R0.47 CC/C=C\CCC(=O)C#CCCC 1458a_200011218047_100015370543 [0,1,0,0,0,0|1,0,2]=4 2393 B12R0.47 CC/C=C\CCC(=O)C=CCCC 1458a_100000212230_100015370543 [0,1,0,0,0,0|1,0,2]=4 2394 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [0,1,0,0,0,0|1,0,1]=3 2395 B12R0.47 CC/C=C\CCC(=O)CCCCO 1458a_100000695505_100015370543 [0,1,0,0,0,0|2,0,1]=4 2396 B12R0.47 CC/C=C\CCC(=O)CCCOC 1458a_100000741012_100015370543 [0,1,0,0,0,0|2,0,1]=4 2397 B12R0.47 CC/C=C\CCC(=O)CCCSC 1458a_100000173376_100015370543 [0,1,0,0,0,0|2,0,1]=4 2398 B12R0.47 CC/C=C\CCC(=O)CCOCC 1458a_100000749530_100015370543 [0,1,0,0,0,0|2,0,1]=4 2399 B12R0.47 CC/C=C\CCC(=O)CCSCC 1458a_100000230768_100015370543 [0,1,0,0,0,0|2,0,1]=4 2400 B12R0.47 CC/C=C\CCC(=O)COCCC 1458a_100000745993_100015370543 [0,1,0,0,0,0|2,0,1]=4 2401 B12R0.47 CC/C=C\CCC(=O)CSCCC 1458a_100000217233_100015370543 [0,1,0,0,0,0|2,0,1]=4 2402 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100011215632_100103147603 [0,1,0,0,0,0|1,0,2]=4 2403 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100016268518_200011218191 [0,1,0,0,0,0|1,0,2]=4 2404 B12R0.47 CC/C=C\COC(C)CCCCC 7a_100011215632_100103147603 [0,1,0,0,0,0|1,0,2]=4 2405 B12R0.47 CC=CCSCC(=O)CCCCC 62a_100000070051_200012276598 [0,1,0,0,0,0|0,1,2]=4 2406 B12R0.47 CC=CCSCC(=O)CCCCC 62a_200012276598_100000070051 [0,1,0,0,0,0|0,1,2]=4 2407 B12R0.47 CC=CCSCC(=O)NCCCC 62a_100000070051_100000182744 [0,1,0,0,0,0|1,0,2]=4 2408 B12R0.47 CC=CCSCC(=O)NCCCC 62a_100000182744_100000070051 [0,1,0,0,0,0|1,0,2]=4 2409 B12R0.47 CC=CCSCC(=O)OCCCC 62a_100000070051_100000211628 [0,1,0,0,0,0|0,0,2]=3 2410 B12R0.47 CC=CCSCC(=O)OCCCC 62a_100000211628_100000070051 [0,1,0,0,0,0|0,0,2]=3 2411 B12R0.47 CC=CCSCC(=O)OCCOC 62a_100000070051_200000040189 [0,1,0,0,0,0|1,0,2]=4 2412 B12R0.47 CC=CCSCC(=O)OCCOC 62a_200000040189_100000070051 [0,1,0,0,0,0|1,0,2]=4 2413 B12R0.47 CCC#CCC(=O)C=CCCCC 1458a_100016266645_100009813939 [0,1,0,0,0,0|1,0,2]=4 2414 B12R0.47 CCC#CCC(=O)CCCCCC 1458a_100102632555_100009813939 [0,1,0,0,0,0|1,0,2]=4 2415 B12R0.47 CCC#CCC(=O)CCCCCO 1458a_100102619762_100009813939 [0,1,0,0,0,0|1,0,2]=4 2416 B12R0.47 CCC#CCC(=O)COCCCC 1458a_100000757543_100009813939 [0,1,0,0,0,0|0,0,2]=3 2417 B12R0.47 CCC#CCC(=O)COCCOC 1458a_100000211095_100009813939 [0,1,0,0,0,0|1,0,2]=4 2418 B12R0.47 CCC#CCC(=O)CSCCCC 1458a_100000191162_100009813939 [0,1,0,0,0,0|0,1,2]=4 2419 B12R0.47 CCC#CCOC(C)CCCCC 34a_100000032950_200011218191 [0,1,0,0,0,0|1,0,2]=4 2420 B12R0.47 CCC#CCOC(C)CCCCC 34a_100011215632_100009813939 [0,1,0,0,0,0|1,0,2]=4 2421 B12R0.47 CCC#CCOC(C)CCCCC 7a_100011215632_100009813939 [0,1,0,0,0,0|1,0,2]=4 2422 B12R0.47 CCC/C=C/CC(=O)CCCCC 1458a_200016266809_100000210326 [0,1,0,0,0,0|1,0,1]=3 2423 B12R0.47 CCC/C=C/CC(=O)CCCCF 1458a_200016266809_100000729493 [0,1,0,0,0,0|2,0,1]=4 2424 B12R0.47 CCC/C=C/CC(=O)CCCCO 1458a_200016266809_100000210776 [0,1,0,0,0,0|2,0,1]=4 2425 B12R0.47 CCC/C=C/CC(=O)CCCOC 1458a_200016266809_100000740836 [0,1,0,0,0,0|2,0,1]=4 2426 B12R0.47 CCC/C=C/CC(=O)CCOCC 1458a_200016266809_100011215890 [0,1,0,0,0,0|2,0,1]=4 2427 B12R0.47 CCC/C=C/CC(=O)CCSCC 1458a_200016266809_100000757381 [0,1,0,0,0,0|2,0,1]=4 2428 B12R0.47 CCC/C=C/CC(=O)NCCCC 11a_100000102301_200016266809 [0,1,0,0,0,0|1,0,1]=3 2429 B12R0.47 CCC/C=C/CC(=O)NCCCC 1626a_100000102301_200016266809 [0,1,0,0,0,0|1,0,1]=3 2430 B12R0.47 CCC/C=C/CC(=O)NCCCC 240690a_100000102301_200016266809 [0,1,0,0,0,0|1,0,1]=3 2431 B12R0.47 CCC/C=C/CC(=O)NCCCC 527a_100000102301_200016266809 [0,1,0,0,0,0|1,0,1]=3 2432 B12R0.47 CCC/C=C/CC(=O)NCCCF 11a_100015189416_200016266809 [0,1,0,0,0,0|2,0,1]=4 2433 B12R0.47 CCC/C=C/CC(=O)NCCCF 1626a_100015189416_200016266809 [0,1,0,0,0,0|2,0,1]=4 2434 B12R0.47 CCC/C=C/CC(=O)NCCCF 240690a_100015189416_200016266809 [0,1,0,0,0,0|2,0,1]=4 2435 B12R0.47 CCC/C=C/CC(=O)NCCCF 527a_100015189416_200016266809 [0,1,0,0,0,0|2,0,1]=4 2436 B12R0.47 CCC/C=C/CC(=O)NCCCO 240690a_100000182051_200016266809 [0,1,0,0,0,0|2,0,1]=4 2437 B12R0.47 CCC/C=C/CC(=O)NCCCO 527a_100000182051_200016266809 [0,1,0,0,0,0|2,0,1]=4 2438 B12R0.47 CCC/C=C/CC(=O)NCCOC 1626a_100000209980_200016266809 [0,1,0,0,0,0|2,0,1]=4 2439 B12R0.47 CCC/C=C/CC(=O)NCCOC 240690a_100000209980_200016266809 [0,1,0,0,0,0|2,0,1]=4 2440 B12R0.47 CCC/C=C/CC(=O)NCCOC 527a_100000209980_200016266809 [0,1,0,0,0,0|2,0,1]=4 2441 B12R0.47 CCC/C=C/CC(=O)NCCSC 11a_100020590264_200016266809 [0,1,0,0,0,0|2,0,1]=4 2442 B12R0.47 CCC/C=C/CC(=O)NCCSC 1626a_100020590264_200016266809 [0,1,0,0,0,0|2,0,1]=4 2443 B12R0.47 CCC/C=C/CC(=O)NCCSC 240690a_100020590264_200016266809 [0,1,0,0,0,0|2,0,1]=4 2444 B12R0.47 CCC/C=C/CC(=O)NCCSC 527a_100020590264_200016266809 [0,1,0,0,0,0|2,0,1]=4 2445 B12R0.47 CCC/C=C/CC(=O)NNCCC 22a_100000740057_200016266809 [0,1,0,0,0,0|2,0,1]=4 2446 B12R0.47 CCC=NNC(=O)CCCCCC 4a_100011221127_100000210100 [0,1,0,0,0,0|2,0,1]=4 2447 B12R0.47 CCCC#CC(=O)CCCCC#N 1458a_200011218047_100000211819 [0,1,0,0,0,0|1,0,2]=4 2448 B12R0.47 CCCC#CC(=O)CCCCCC 1458a_200011218047_100000210757 [0,1,0,0,0,0|1,0,1]=3 2449 B12R0.47 CCCC#CC(=O)CCCCCF 1458a_200011218047_100000729378 [0,1,0,0,0,0|1,0,1]=3 2450 B12R0.47 CCCC#CC(=O)CCCCCO 1458a_200011218047_100000746330 [0,1,0,0,0,0|1,0,1]=3 2451 B12R0.47 CCCC#CC(=O)CCCCOC 1458a_200011218047_100000755781 [0,1,0,0,0,0|1,0,1]=3 2452 B12R0.47 CCCC#CC(=O)CCCOCC 1458a_200011218047_100012232248 [0,1,0,0,0,0|1,0,1]=3 2453 B12R0.47 CCCC#CC(=O)CCOCCC 1458a_200011218047_100011215938 [0,1,0,0,0,0|1,0,1]=3 2454 B12R0.47 CCCC#CC(=O)CCOCCO 1458a_200011218047_100011215305 [0,1,0,0,0,0|2,0,1]=4 2455 B12R0.47 CCCC#CC(=O)COCCCC 1458a_200011218047_100011995733 [0,1,0,0,0,0|0,0,2]=3 2456 B12R0.47 CCCC#CC(=O)NCCCCC 240690a_100000209983_200011218047 [0,1,0,0,0,0|1,0,1]=3 2457 B12R0.47 CCCC#CC(=O)NCCCCO 240690a_100000750430_200011218047 [0,1,0,0,0,0|1,0,2]=4 2458 B12R0.47 CCCC#CC(=O)NCCCOC 240690a_100150723488_200011218047 [0,1,0,0,0,0|1,0,2]=4 2459 B12R0.47 CCCC#CC(=O)NCCCSC 240690a_100000749238_200011218047 [0,1,0,0,0,0|1,0,2]=4 2460 B12R0.47 CCCC#CC(=O)NCCOCC 240690a_100011200944_200011218047 [0,1,0,0,0,0|1,0,2]=4 2461 B12R0.47 CCCC#CC(=O)NCCSCC 240690a_100000106463_200011218047 [0,1,0,0,0,0|1,0,2]=4 2462 B12R0.47 CCCC#CC(=O)NNCCCC 22a_100025702795_200011218047 [0,1,0,0,0,0|1,0,2]=4 2463 B12R0.47 CCCC=CC(=O)CCCCC#N 1458a_100000212230_100000211819 [0,1,0,0,0,0|1,0,2]=4 2464 B12R0.47 CCCC=CC(=O)CCCCCC 1458a_100000212230_100000210757 [0,1,0,0,0,0|1,0,1]=3 2465 B12R0.47 CCCC=CC(=O)CCCCCF 1458a_100000212230_100000729378 [0,1,0,0,0,0|1,0,1]=3 2466 B12R0.47 CCCC=CC(=O)CCCCCO 1458a_100000212230_100000746330 [0,1,0,0,0,0|1,0,1]=3 2467 B12R0.47 CCCC=CC(=O)CCCCOC 1458a_100000212230_100000755781 [0,1,0,0,0,0|1,0,1]=3 2468 B12R0.47 CCCC=CC(=O)CCCOCC 1458a_100000212230_100012232248 [0,1,0,0,0,0|1,0,1]=3 2469 B12R0.47 CCCC=CC(=O)CCOCCC 1458a_100000212230_100011215938 [0,1,0,0,0,0|1,0,1]=3 2470 B12R0.47 CCCC=CC(=O)CCOCCO 1458a_100000212230_100011215305 [0,1,0,0,0,0|2,0,1]=4 2471 B12R0.47 CCCC=CC(=O)COCCCC 1458a_100000212230_100011995733 [0,1,0,0,0,0|0,0,2]=3 2472 B12R0.47 CCCC=CC(=O)NCCCCC 11a_100000209983_100000212230 [0,1,0,0,0,0|1,0,1]=3 2473 B12R0.47 CCCC=CC(=O)NCCCCC 1626a_100000209983_100000212230 [0,1,0,0,0,0|1,0,1]=3 2474 B12R0.47 CCCC=CC(=O)NCCCCC 240690a_100000209983_100000212230 [0,1,0,0,0,0|1,0,1]=3 2475 B12R0.47 CCCC=CC(=O)NCCCCO 240690a_100000750430_100000212230 [0,1,0,0,0,0|1,0,2]=4 2476 B12R0.47 CCCC=CC(=O)NCCCOC 1626a_100150723488_100000212230 [0,1,0,0,0,0|1,0,2]=4 2477 B12R0.47 CCCC=CC(=O)NCCCOC 240690a_100150723488_100000212230 [0,1,0,0,0,0|1,0,2]=4 2478 B12R0.47 CCCC=CC(=O)NCCCSC 11a_100000749238_100000212230 [0,1,0,0,0,0|1,0,2]=4 2479 B12R0.47 CCCC=CC(=O)NCCCSC 1626a_100000749238_100000212230 [0,1,0,0,0,0|1,0,2]=4 2480 B12R0.47 CCCC=CC(=O)NCCCSC 240690a_100000749238_100000212230 [0,1,0,0,0,0|1,0,2]=4 2481 B12R0.47 CCCC=CC(=O)NCCOCC 11a_100011200944_100000212230 [0,1,0,0,0,0|1,0,2]=4 2482 B12R0.47 CCCC=CC(=O)NCCOCC 1626a_102516460346_100000212230 [0,1,0,0,0,0|1,0,2]=4 2483 B12R0.47 CCCC=CC(=O)NCCOCC 240690a_100011200944_100000212230 [0,1,0,0,0,0|1,0,2]=4 2484 B12R0.47 CCCC=CC(=O)NCCSCC 11a_100000106463_100000212230 [0,1,0,0,0,0|1,0,2]=4 2485 B12R0.47 CCCC=CC(=O)NCCSCC 1626a_100000106463_100000212230 [0,1,0,0,0,0|1,0,2]=4 2486 B12R0.47 CCCC=CC(=O)NCCSCC 240690a_100000106463_100000212230 [0,1,0,0,0,0|1,0,2]=4 2487 B12R0.47 CCCC=CC(=O)NNCCCC 22a_100025702795_100000212230 [0,1,0,0,0,0|1,0,2]=4 2488 B12R0.47 CCCC=NNC(=O)CCCCC 4a_100000189784_100000185831 [0,1,0,0,0,0|1,0,1]=3 2489 B12R0.47 CCCCC=CC(=O)CCCC#N 1458a_100016266645_100000211468 [0,1,0,0,0,0|2,0,1]=4 2490 B12R0.47 CCCCC=CC(=O)CCCCC 1458a_100016266645_100000210326 [0,1,0,0,0,0|1,0,0]=2 2491 B12R0.47 CCCCC=CC(=O)CCCCF 1458a_100016266645_100000729493 [0,1,0,0,0,0|2,0,0]=3 2492 B12R0.47 CCCCC=CC(=O)CCCCO 1458a_100016266645_100000210776 [0,1,0,0,0,0|2,0,0]=3 2493 B12R0.47 CCCCC=CC(=O)CCCOC 1458a_100016266645_100000740836 [0,1,0,0,0,0|2,0,0]=3 2494 B12R0.47 CCCCC=CC(=O)CCOCC 1458a_100016266645_100011215890 [0,1,0,0,0,0|2,0,0]=3 2495 B12R0.47 CCCCC=CC(=O)CCSCC 1458a_100016266645_100000757381 [0,1,0,0,0,0|2,0,0]=3 2496 B12R0.47 CCCCC=CC(=O)NCCCC 11a_100000102301_100016266645 [0,1,0,0,0,0|1,0,1]=3 2497 B12R0.47 CCCCC=CC(=O)NCCCC 1626a_100000102301_100016266645 [0,1,0,0,0,0|1,0,1]=3 2498 B12R0.47 CCCCC=CC(=O)NCCCC 240690a_100000102301_100016266645 [0,1,0,0,0,0|1,0,1]=3 2499 B12R0.47 CCCCC=CC(=O)NCCCF 11a_100015189416_100016266645 [0,1,0,0,0,0|2,0,1]=4 2500 B12R0.47 CCCCC=CC(=O)NCCCF 1626a_100015189416_100016266645 [0,1,0,0,0,0|2,0,1]=4 2501 B12R0.47 CCCCC=CC(=O)NCCCF 240690a_100015189416_100016266645 [0,1,0,0,0,0|2,0,1]=4 2502 B12R0.47 CCCCC=CC(=O)NCCCO 240690a_100000182051_100016266645 [0,1,0,0,0,0|2,0,1]=4 2503 B12R0.47 CCCCC=CC(=O)NCCOC 1626a_100000209980_100016266645 [0,1,0,0,0,0|2,0,1]=4 2504 B12R0.47 CCCCC=CC(=O)NCCOC 240690a_100000209980_100016266645 [0,1,0,0,0,0|2,0,1]=4 2505 B12R0.47 CCCCC=CC(=O)NCCSC 11a_100020590264_100016266645 [0,1,0,0,0,0|2,0,1]=4 2506 B12R0.47 CCCCC=CC(=O)NCCSC 1626a_100020590264_100016266645 [0,1,0,0,0,0|2,0,1]=4 2507 B12R0.47 CCCCC=CC(=O)NCCSC 240690a_100020590264_100016266645 [0,1,0,0,0,0|2,0,1]=4 2508 B12R0.47 CCCCC=CC(=O)NNCCC 22a_100000740057_100016266645 [0,1,0,0,0,0|2,0,1]=4 2509 B12R0.47 CCCCCC(=NNCCCC)C 4a_100025702795_100000211708 [0,1,0,0,0,0|2,0,0]=3 2510 B12R0.47 CCCCCC(=O)CCCCC#N 1458a_100000212188_100000211819 [0,1,0,0,0,0|1,0,1]=3 2511 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [0,1,0,0,0,0|1,0,0]=2 2512 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,1,0,0,0,0|1,0,0]=2 2513 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,1,0,0,0,0|1,0,0]=2 2514 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [0,1,0,0,0,0|1,0,0]=2 2515 B12R0.47 CCCCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210326 [0,1,0,0,0,0|3,0,0]=4 2516 B12R0.47 CCCCCC(=O)CCCOCC 1458a_100000212188_100012232248 [0,1,0,0,0,0|1,0,0]=2 2517 B12R0.47 CCCCCC(=O)CCOCC#N 1458a_100000212188_200000047693 [0,1,0,0,0,0|2,0,1]=4 2518 B12R0.47 CCCCCC(=O)CCOCCC 1458a_100000212188_100011215938 [0,1,0,0,0,0|1,0,0]=2 2519 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100000212188_100011215305 [0,1,0,0,0,0|2,0,0]=3 2520 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100011229844_100000210326 [0,1,0,0,0,0|2,0,0]=3 2521 B12R0.47 CCCCCC(=O)CNCCCC 2230a_100000102301_200012276598 [0,1,0,0,0,0|1,0,0]=2 2522 B12R0.47 CCCCCC(=O)CNCCCC 7a_106832991798_200012276598 [0,1,0,0,0,0|1,0,0]=2 2523 B12R0.47 CCCCCC(=O)CNCCCF 2230a_100015189416_200012276598 [0,1,0,0,0,0|2,0,0]=3 2524 B12R0.47 CCCCCC(=O)CNCCCF 34a_100015189416_200012276598 [0,1,0,0,0,0|2,0,0]=3 2525 B12R0.47 CCCCCC(=O)CNCCOC 2230a_100000209980_200012276598 [0,1,0,0,0,0|2,0,0]=3 2526 B12R0.47 CCCCCC(=O)CNCCSC 2230a_100020590264_200012276598 [0,1,0,0,0,0|2,0,0]=3 2527 B12R0.47 CCCCCC(=O)COCCCBr 34a_100011217188_200012276598 [0,1,0,0,0,0|1,0,0]=2 2528 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [0,1,0,0,0,0|0,0,0]=1 2529 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [0,1,0,0,0,0|0,0,0]=1 2530 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [0,1,0,0,0,0|0,0,0]=1 2531 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [0,1,0,0,0,0|0,0,0]=1 2532 B12R0.47 CCCCCC(=O)COCCCCl 34a_100000230001_200012276598 [0,1,0,0,0,0|1,0,0]=2 2533 B12R0.47 CCCCCC(=O)COCCCF 34a_100000759539_200012276598 [0,1,0,0,0,0|1,0,0]=2 2534 B12R0.47 CCCCCC(=O)COCCCN 34a_100000182051_200012276598 [0,1,0,0,0,0|1,0,0]=2 2535 B12R0.47 CCCCCC(=O)COCCOC 1458a_100000211095_100000210326 [0,1,0,0,0,0|1,0,0]=2 2536 B12R0.47 CCCCCC(=O)COCCOC 34a_100000210237_200012276598 [0,1,0,0,0,0|1,0,0]=2 2537 B12R0.47 CCCCCC(=O)COCCON 34a_100000700252_200012276598 [0,1,0,0,0,0|2,0,0]=3 2538 B12R0.47 CCCCCC(=O)COCCSC 34a_100000230434_200012276598 [0,1,0,0,0,0|1,0,0]=2 2539 B12R0.47 CCCCCC(=O)COCCSC 7a_100000230434_200012276598 [0,1,0,0,0,0|1,0,0]=2 2540 B12R0.47 CCCCCC(=O)CSCCC#N 62a_100011215226_200012276598 [0,1,0,0,0,0|1,1,1]=4 2541 B12R0.47 CCCCCC(=O)CSCCC#N 62a_200012276598_100011215226 [0,1,0,0,0,0|1,1,1]=4 2542 B12R0.47 CCCCCC(=O)CSCCCC 1458a_100000191162_100000210326 [0,1,0,0,0,0|0,1,0]=2 2543 B12R0.47 CCCCCC(=O)CSCCCC 62a_100000210211_200012276598 [0,1,0,0,0,0|0,1,0]=2 2544 B12R0.47 CCCCCC(=O)CSCCCC 62a_200012276598_100000210210 [0,1,0,0,0,0|0,1,0]=2 2545 B12R0.47 CCCCCC(=O)CSCCCF 62a_100011934791_200012276598 [0,1,0,0,0,0|1,1,0]=3 2546 B12R0.47 CCCCCC(=O)CSCCCF 62a_200012276598_100011934791 [0,1,0,0,0,0|1,1,0]=3 2547 B12R0.47 CCCCCC(=O)CSCCCO 62a_100011215043_200012276598 [0,1,0,0,0,0|1,1,0]=3 2548 B12R0.47 CCCCCC(=O)CSCCCO 62a_200012276598_100011215043 [0,1,0,0,0,0|1,1,0]=3 2549 B12R0.47 CCCCCC(=O)CSCCOC 62a_100000233755_200012276598 [0,1,0,0,0,0|1,1,0]=3 2550 B12R0.47 CCCCCC(=O)CSCCOC 62a_200012276598_100000233755 [0,1,0,0,0,0|1,1,0]=3 2551 B12R0.47 CCCCCC(=O)CSCCSC 62a_100000212216_200012276598 [0,1,0,0,0,0|1,1,0]=3 2552 B12R0.47 CCCCCC(=O)CSCCSC 62a_200012276598_100000751147 [0,1,0,0,0,0|1,1,0]=3 2553 B12R0.47 CCCCCC(=O)CSCOCC 62a_100000739092_200012276598 [0,1,0,0,0,0|1,1,0]=3 2554 B12R0.47 CCCCCC(=O)CSCOCC 62a_200012276598_100000739092 [0,1,0,0,0,0|1,1,0]=3 2555 B12R0.47 CCCCCC(=O)NCCCCO 240690a_100000750430_100000212188 [0,1,0,0,0,0|1,0,0]=2 2556 B12R0.47 CCCCCC(=O)NCCCCO 527a_100000750430_100000212188 [0,1,0,0,0,0|1,0,0]=2 2557 B12R0.47 CCCCCC(=O)NCCCOC 1626a_100150723488_100000212188 [0,1,0,0,0,0|1,0,0]=2 2558 B12R0.47 CCCCCC(=O)NCCCOC 240690a_100150723488_100000212188 [0,1,0,0,0,0|1,0,0]=2 2559 B12R0.47 CCCCCC(=O)NCCCOC 527a_100150723488_100000212188 [0,1,0,0,0,0|1,0,0]=2 2560 B12R0.47 CCCCCC(=O)NCCCSC 11a_100000749238_100000212188 [0,1,0,0,0,0|1,0,0]=2 2561 B12R0.47 CCCCCC(=O)NCCCSC 1626a_100000749238_100000212188 [0,1,0,0,0,0|1,0,0]=2 2562 B12R0.47 CCCCCC(=O)NCCCSC 240690a_100000749238_100000212188 [0,1,0,0,0,0|1,0,0]=2 2563 B12R0.47 CCCCCC(=O)NCCCSC 527a_100000749238_100000212188 [0,1,0,0,0,0|1,0,0]=2 2564 B12R0.47 CCCCCC(=O)NCCOCC 11a_100011200944_100000212188 [0,1,0,0,0,0|1,0,0]=2 2565 B12R0.47 CCCCCC(=O)NCCOCC 1626a_102516460346_100000212188 [0,1,0,0,0,0|1,0,0]=2 2566 B12R0.47 CCCCCC(=O)NCCOCC 240690a_100011200944_100000212188 [0,1,0,0,0,0|1,0,0]=2 2567 B12R0.47 CCCCCC(=O)NCCOCC 527a_100011200944_100000212188 [0,1,0,0,0,0|1,0,0]=2 2568 B12R0.47 CCCCCC(=O)NCCSCC 11a_100000106463_100000212188 [0,1,0,0,0,0|1,0,0]=2 2569 B12R0.47 CCCCCC(=O)NCCSCC 1626a_100000106463_100000212188 [0,1,0,0,0,0|1,0,0]=2 2570 B12R0.47 CCCCCC(=O)NCCSCC 240690a_100000106463_100000212188 [0,1,0,0,0,0|1,0,0]=2 2571 B12R0.47 CCCCCC(=O)NCCSCC 527a_100000106463_100000212188 [0,1,0,0,0,0|1,0,0]=2 2572 B12R0.47 CCCCCC(=O)NNCCC#N 22a_100000229987_100000212188 [0,1,0,0,0,0|2,0,1]=4 2573 B12R0.47 CCCCCC(=O)NNCCCC 22a_100025702795_100000212188 [0,1,0,0,0,0|1,0,0]=2 2574 B12R0.47 CCCCCC(=O)NNCCOC 22a_100000741390_100000212188 [0,1,0,0,0,0|2,0,0]=3 2575 B12R0.47 CCCCCC(C)NCCCCF 2230a_100000211957_100000729493 [0,1,0,0,0,0|2,0,1]=4 2576 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000211957_100000210776 [0,1,0,0,0,0|2,0,1]=4 2577 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000750430_200011218191 [0,1,0,0,0,0|2,0,1]=4 2578 B12R0.47 CCCCCC(C)NCCCCO 270004a_100000750430_100000211708 [0,1,0,0,0,0|2,0,1]=4 2579 B12R0.47 CCCCCC(C)NCCCCO 34a_100000750430_200011218191 [0,1,0,0,0,0|2,0,1]=4 2580 B12R0.47 CCCCCC(C)NCCCOC 2230a_100000211957_100000740836 [0,1,0,0,0,0|2,0,1]=4 2581 B12R0.47 CCCCCC(C)NCCCOC 270004a_100150723488_100000211708 [0,1,0,0,0,0|2,0,1]=4 2582 B12R0.47 CCCCCC(C)NCCCOC 34a_100150723488_200011218191 [0,1,0,0,0,0|2,0,1]=4 2583 B12R0.47 CCCCCC(C)NCCCSC 2230a_100000749238_200011218191 [0,1,0,0,0,0|2,0,1]=4 2584 B12R0.47 CCCCCC(C)NCCCSC 270004a_100000749238_100000211708 [0,1,0,0,0,0|2,0,1]=4 2585 B12R0.47 CCCCCC(C)NCCOCC 2230a_100000211957_100011215890 [0,1,0,0,0,0|2,0,1]=4 2586 B12R0.47 CCCCCC(C)NCCOCC 2230a_102516460346_200011218191 [0,1,0,0,0,0|2,0,1]=4 2587 B12R0.47 CCCCCC(C)NCCOCC 270004a_102516460346_100000211708 [0,1,0,0,0,0|2,0,1]=4 2588 B12R0.47 CCCCCC(C)NCCOCC 34a_102516460346_200011218191 [0,1,0,0,0,0|2,0,1]=4 2589 B12R0.47 CCCCCC(C)NCCSCC 2230a_100000106463_200011218191 [0,1,0,0,0,0|2,0,1]=4 2590 B12R0.47 CCCCCC(C)NCCSCC 2230a_100000211957_100000757381 [0,1,0,0,0,0|2,0,1]=4 2591 B12R0.47 CCCCCC(C)NCCSCC 270004a_100000106463_100000211708 [0,1,0,0,0,0|2,0,1]=4 2592 B12R0.47 CCCCCC(C)OCCCC#N 7a_100011215632_100000687738 [0,1,0,0,0,0|1,0,2]=4 2593 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [0,1,0,0,0,0|1,0,2]=4 2594 B12R0.47 CCCCCC(C)OCCCCBr 34a_100011216708_200011218191 [0,1,0,0,0,0|1,0,1]=3 2595 B12R0.47 CCCCCC(C)OCCCCCl 34a_100000210776_200011218191 [0,1,0,0,0,0|1,0,1]=3 2596 B12R0.47 CCCCCC(C)OCCCCCl 7a_100000210776_200011218191 [0,1,0,0,0,0|1,0,1]=3 2597 B12R0.47 CCCCCC(C)OCCCCF 34a_100011215632_100000729493 [0,1,0,0,0,0|1,0,1]=3 2598 B12R0.47 CCCCCC(C)OCCCCF 34a_100011995726_200011218191 [0,1,0,0,0,0|1,0,1]=3 2599 B12R0.47 CCCCCC(C)OCCCCF 7a_100011215632_100000729493 [0,1,0,0,0,0|1,0,1]=3 2600 B12R0.47 CCCCCC(C)OCCCCF 7a_100011995726_200011218191 [0,1,0,0,0,0|1,0,1]=3 2601 B12R0.47 CCCCCC(C)OCCCCI 34a_200012148704_200011218191 [0,1,0,0,0,0|1,0,1]=3 2602 B12R0.47 CCCCCC(C)OCCCCN 34a_100000750430_200011218191 [0,1,0,0,0,0|1,0,1]=3 2603 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [0,1,0,0,0,0|1,0,1]=3 2604 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [0,1,0,0,0,0|1,0,1]=3 2605 B12R0.47 CCCCCC(C)OCCCNC 34a_100000213112_200011218191 [0,1,0,0,0,0|1,0,1]=3 2606 B12R0.47 CCCCCC(C)OCCCOC 34a_100000740835_200011218191 [0,1,0,0,0,0|1,0,1]=3 2607 B12R0.47 CCCCCC(C)OCCCOC 34a_100011215632_100000740836 [0,1,0,0,0,0|1,0,1]=3 2608 B12R0.47 CCCCCC(C)OCCCOC 7a_100011215632_100000740836 [0,1,0,0,0,0|1,0,1]=3 2609 B12R0.47 CCCCCC(C)OCCCSC 34a_100000690336_200011218191 [0,1,0,0,0,0|1,0,1]=3 2610 B12R0.47 CCCCCC(C)OCCCSC 7a_100000690336_200011218191 [0,1,0,0,0,0|1,0,1]=3 2611 B12R0.47 CCCCCC(C)OCCOCC 34a_100000210136_200011218191 [0,1,0,0,0,0|1,0,1]=3 2612 B12R0.47 CCCCCC(C)OCCOCC 34a_100011215632_100000210147 [0,1,0,0,0,0|1,0,1]=3 2613 B12R0.47 CCCCCC(C)OCCOCC 7a_100000210136_200011218191 [0,1,0,0,0,0|1,0,1]=3 2614 B12R0.47 CCCCCC(C)OCCOCC 7a_100011215632_100011215890 [0,1,0,0,0,0|1,0,1]=3 2615 B12R0.47 CCCCCC(C)OCCSCC 34a_100000212035_200011218191 [0,1,0,0,0,0|1,0,1]=3 2616 B12R0.47 CCCCCC(C)OCCSCC 34a_100011215632_100000757381 [0,1,0,0,0,0|1,0,1]=3 2617 B12R0.47 CCCCCC(C)OCCSCC 7a_100000212035_200011218191 [0,1,0,0,0,0|1,0,1]=3 2618 B12R0.47 CCCCCC(C)OCCSCC 7a_100011215632_100000757381 [0,1,0,0,0,0|1,0,1]=3 2619 B12R0.47 CCCCCC(C)SCCCCF 62a_100000729493_200011218191 [0,1,0,0,0,0|1,1,1]=4 2620 B12R0.47 CCCCCC(C)SCCCCF 62a_200011218191_100000729493 [0,1,0,0,0,0|1,1,1]=4 2621 B12R0.47 CCCCCC(C)SCCCCO 62a_100000210776_200011218191 [0,1,0,0,0,0|1,1,1]=4 2622 B12R0.47 CCCCCC(C)SCCCCO 62a_200011218191_100000210776 [0,1,0,0,0,0|1,1,1]=4 2623 B12R0.47 CCCCCC(C)SCCCOC 62a_100000709357_200011218191 [0,1,0,0,0,0|1,1,1]=4 2624 B12R0.47 CCCCCC(C)SCCCOC 62a_200011218191_100000709357 [0,1,0,0,0,0|1,1,1]=4 2625 B12R0.47 CCCCCC(C)SCCOCC 62a_100000210147_200011218191 [0,1,0,0,0,0|1,1,1]=4 2626 B12R0.47 CCCCCC(C)SCCOCC 62a_200011218191_100011215890 [0,1,0,0,0,0|1,1,1]=4 2627 B12R0.47 CCCCCC(C)SCCSCC 62a_100000757381_200011218191 [0,1,0,0,0,0|1,1,1]=4 2628 B12R0.47 CCCCCC(C)SCCSCC 62a_200011218191_100000757381 [0,1,0,0,0,0|1,1,1]=4 2629 B12R0.47 CCCCCCC(=NNCCC)C 4a_100000740057_100000210826 [0,1,0,0,0,0|3,0,0]=4 2630 B12R0.47 CCCCCCC(=O)C=CCOC 1458a_100016285016_100000210757 [0,1,0,0,0,0|2,0,1]=4 2631 B12R0.47 CCCCCCC(=O)C=COCC 1458a_100016266692_100000210757 [0,1,0,0,0,0|2,0,1]=4 2632 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100000075515_100000210757 [0,1,0,0,0,0|2,0,1]=4 2633 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100102632555_100000211468 [0,1,0,0,0,0|2,0,1]=4 2634 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,1,0,0,0,0|1,0,0]=2 2635 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,1,0,0,0,0|1,0,0]=2 2636 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,1,0,0,0,0|2,0,0]=3 2637 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,1,0,0,0,0|2,0,0]=3 2638 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,1,0,0,0,0|2,0,0]=3 2639 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,1,0,0,0,0|2,0,0]=3 2640 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,1,0,0,0,0|2,0,0]=3 2641 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,1,0,0,0,0|2,0,0]=3 2642 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [0,1,0,0,0,0|2,0,0]=3 2643 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [0,1,0,0,0,0|2,0,0]=3 2644 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100000230768_100000210757 [0,1,0,0,0,0|2,0,0]=3 2645 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100102632555_100000757381 [0,1,0,0,0,0|2,0,0]=3 2646 B12R0.47 CCCCCCC(=O)COCCC 1458a_100000745993_100000210757 [0,1,0,0,0,0|2,0,0]=3 2647 B12R0.47 CCCCCCC(=O)COCCO 1458a_100000708028_100000210757 [0,1,0,0,0,0|3,0,0]=4 2648 B12R0.47 CCCCCCC(=O)CSCCC 1458a_100000217233_100000210757 [0,1,0,0,0,0|2,0,0]=3 2649 B12R0.47 CCCCCCC(=O)NCCC#N 11a_100000720768_100102632555 [0,1,0,0,0,0|2,0,1]=4 2650 B12R0.47 CCCCCCC(=O)NCCC#N 1626a_100000720768_100102632555 [0,1,0,0,0,0|2,0,1]=4 2651 B12R0.47 CCCCCCC(=O)NCCC#N 240690a_100000720768_100102632555 [0,1,0,0,0,0|2,0,1]=4 2652 B12R0.47 CCCCCCC(=O)NCCC#N 527a_100000720768_100102632555 [0,1,0,0,0,0|2,0,1]=4 2653 B12R0.47 CCCCCCC(=O)NCCCC 11a_100000102301_100102632555 [0,1,0,0,0,0|1,0,0]=2 2654 B12R0.47 CCCCCCC(=O)NCCCC 1626a_100000102301_100102632555 [0,1,0,0,0,0|1,0,0]=2 2655 B12R0.47 CCCCCCC(=O)NCCCC 240690a_100000102301_100102632555 [0,1,0,0,0,0|1,0,0]=2 2656 B12R0.47 CCCCCCC(=O)NCCCC 527a_100000102301_100102632555 [0,1,0,0,0,0|1,0,0]=2 2657 B12R0.47 CCCCCCC(=O)NCCCF 11a_100015189416_100102632555 [0,1,0,0,0,0|2,0,0]=3 2658 B12R0.47 CCCCCCC(=O)NCCCF 1626a_100015189416_100102632555 [0,1,0,0,0,0|2,0,0]=3 2659 B12R0.47 CCCCCCC(=O)NCCCF 240690a_100015189416_100102632555 [0,1,0,0,0,0|2,0,0]=3 2660 B12R0.47 CCCCCCC(=O)NCCCF 527a_100015189416_100102632555 [0,1,0,0,0,0|2,0,0]=3 2661 B12R0.47 CCCCCCC(=O)NCCCO 240690a_100000182051_100102632555 [0,1,0,0,0,0|2,0,0]=3 2662 B12R0.47 CCCCCCC(=O)NCCCO 527a_100000182051_100102632555 [0,1,0,0,0,0|2,0,0]=3 2663 B12R0.47 CCCCCCC(=O)NCCOC 1626a_100000209980_100102632555 [0,1,0,0,0,0|2,0,0]=3 2664 B12R0.47 CCCCCCC(=O)NCCOC 240690a_100000209980_100102632555 [0,1,0,0,0,0|2,0,0]=3 2665 B12R0.47 CCCCCCC(=O)NCCOC 527a_100000209980_100102632555 [0,1,0,0,0,0|2,0,0]=3 2666 B12R0.47 CCCCCCC(=O)NCCSC 11a_100020590264_100102632555 [0,1,0,0,0,0|2,0,0]=3 2667 B12R0.47 CCCCCCC(=O)NCCSC 1626a_100020590264_100102632555 [0,1,0,0,0,0|2,0,0]=3 2668 B12R0.47 CCCCCCC(=O)NCCSC 240690a_100020590264_100102632555 [0,1,0,0,0,0|2,0,0]=3 2669 B12R0.47 CCCCCCC(=O)NCCSC 527a_100020590264_100102632555 [0,1,0,0,0,0|2,0,0]=3 2670 B12R0.47 CCCCCCC(=O)NNCCC 22a_100000740057_100102632555 [0,1,0,0,0,0|2,0,0]=3 2671 B12R0.47 CCCCCCC(=O)NNCCO 22a_100000210001_100102632555 [0,1,0,0,0,0|3,0,0]=4 2672 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000102301_100011215978 [0,1,0,0,0,0|2,0,1]=4 2673 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000210919_100000210211 [0,1,0,0,0,0|2,0,1]=4 2674 B12R0.47 CCCCCCC(C)NCCCC 270004a_100000102301_100000210826 [0,1,0,0,0,0|2,0,1]=4 2675 B12R0.47 CCCCCCC(C)NCCCC 34a_100000210919_100000210210 [0,1,0,0,0,0|2,0,1]=4 2676 B12R0.47 CCCCCCC(C)NCCCC 7a_106832991798_100011215978 [0,1,0,0,0,0|2,0,1]=4 2677 B12R0.47 CCCCCCC(C)OCCCBr 34a_100011217188_100011215978 [0,1,0,0,0,0|2,0,1]=4 2678 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210227_100011215978 [0,1,0,0,0,0|1,0,1]=3 2679 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210265_100000210210 [0,1,0,0,0,0|1,0,1]=3 2680 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210227_100011215978 [0,1,0,0,0,0|1,0,1]=3 2681 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210265_100000210211 [0,1,0,0,0,0|1,0,1]=3 2682 B12R0.47 CCCCCCC(C)OCCCCl 34a_100000230001_100011215978 [0,1,0,0,0,0|2,0,1]=4 2683 B12R0.47 CCCCCCC(C)OCCCF 34a_100000210265_100011934791 [0,1,0,0,0,0|2,0,1]=4 2684 B12R0.47 CCCCCCC(C)OCCCF 34a_100000759539_100011215978 [0,1,0,0,0,0|2,0,1]=4 2685 B12R0.47 CCCCCCC(C)OCCCF 7a_100000210265_100011934791 [0,1,0,0,0,0|2,0,1]=4 2686 B12R0.47 CCCCCCC(C)OCCCN 34a_100000182051_100011215978 [0,1,0,0,0,0|2,0,1]=4 2687 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [0,1,0,0,0,0|2,0,1]=4 2688 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [0,1,0,0,0,0|2,0,1]=4 2689 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210237_100011215978 [0,1,0,0,0,0|2,0,1]=4 2690 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210265_100011201679 [0,1,0,0,0,0|2,0,1]=4 2691 B12R0.47 CCCCCCC(C)OCCOC 7a_100000210265_100000233755 [0,1,0,0,0,0|2,0,1]=4 2692 B12R0.47 CCCCCCC(C)OCCSC 34a_100000210265_100000212216 [0,1,0,0,0,0|2,0,1]=4 2693 B12R0.47 CCCCCCC(C)OCCSC 34a_100000230434_100011215978 [0,1,0,0,0,0|2,0,1]=4 2694 B12R0.47 CCCCCCC(C)OCCSC 7a_100000210265_100000212216 [0,1,0,0,0,0|2,0,1]=4 2695 B12R0.47 CCCCCCC(C)OCCSC 7a_100000230434_100011215978 [0,1,0,0,0,0|2,0,1]=4 2696 B12R0.47 CCCCCCC(C)SCCCC 62a_100000210211_100011215978 [0,1,0,0,0,0|1,1,1]=4 2697 B12R0.47 CCCCCCC(C)SCCCC 62a_100011215978_100000210210 [0,1,0,0,0,0|1,1,1]=4 2698 B12R0.47 CCCCCCN(C)CCCCC 2230a_100000223495_100000210314 [0,1,0,0,0,0|3,0,0]=4 2699 B12R0.47 CCCCCCN(C)CCCCC 2230a_106256046315_100000210326 [0,1,0,0,0,0|3,0,0]=4 2700 B12R0.47 CCCCCCN(C)CCCCC 269982a_100000223495_100000210757 [0,1,0,0,0,0|3,0,0]=4 2701 B12R0.47 CCCCCCN(C)CCCCC 269982a_106256046315_100000210215 [0,1,0,0,0,0|3,0,0]=4 2702 B12R0.47 CCCCCN(C)CCCCCF 2230a_100000223495_100000729378 [0,1,0,0,0,0|3,0,0]=4 2703 B12R0.47 CCCCCN(C)CCCCCF 269982a_100000223495_100000729378 [0,1,0,0,0,0|3,0,0]=4 2704 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000223495_100000746330 [0,1,0,0,0,0|3,0,0]=4 2705 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000722520_100000210326 [0,1,0,0,0,0|3,0,0]=4 2706 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000223495_100000746330 [0,1,0,0,0,0|3,0,0]=4 2707 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000722520_100000210215 [0,1,0,0,0,0|3,0,0]=4 2708 B12R0.47 CCCCCN(C)CCCCOC 2230a_100000223495_100000730899 [0,1,0,0,0,0|3,0,0]=4 2709 B12R0.47 CCCCCN(C)CCCCOC 269982a_100000223495_100000730899 [0,1,0,0,0,0|3,0,0]=4 2710 B12R0.47 CCCCCN(C)CCCOCC 2230a_100000223495_100012232248 [0,1,0,0,0,0|3,0,0]=4 2711 B12R0.47 CCCCCN(C)CCCOCC 269982a_100000223495_100012232248 [0,1,0,0,0,0|3,0,0]=4 2712 B12R0.47 CCCCCN(C)CCOCCC 2230a_100000223495_100011215938 [0,1,0,0,0,0|3,0,0]=4 2713 B12R0.47 CCCCCN(C)CCOCCC 269982a_100000223495_100011215938 [0,1,0,0,0,0|3,0,0]=4 2714 B12R0.47 CCCCCN(C)COCCCC 2230a_100000223495_100011995733 [0,1,0,0,0,0|2,0,0]=3 2715 B12R0.47 CCCCCN(C)COCCCC 269982a_100000223495_100011995733 [0,1,0,0,0,0|2,0,0]=3 2716 B12R0.47 CCCCCN(C)COCCOC 2230a_100000223495_100000231047 [0,1,0,0,0,0|3,0,0]=4 2717 B12R0.47 CCCCCN(C)COCCOC 269982a_100000223495_100000231047 [0,1,0,0,0,0|3,0,0]=4 2718 B12R0.47 CCCCCNC(=O)C=CCOC 11a_100000209983_100016285016 [0,1,0,0,0,0|2,0,1]=4 2719 B12R0.47 CCCCCNC(=O)C=CCOC 1626a_100000209983_100016285016 [0,1,0,0,0,0|2,0,1]=4 2720 B12R0.47 CCCCCNC(=O)C=CCOC 240690a_100000209983_100016285016 [0,1,0,0,0,0|2,0,1]=4 2721 B12R0.47 CCCCCNC(=O)C=COCC 11a_100000209983_100016266692 [0,1,0,0,0,0|2,0,1]=4 2722 B12R0.47 CCCCCNC(=O)C=COCC 1626a_100000209983_100016266692 [0,1,0,0,0,0|2,0,1]=4 2723 B12R0.47 CCCCCNC(=O)C=COCC 240690a_100000209983_100016266692 [0,1,0,0,0,0|2,0,1]=4 2724 B12R0.47 CCCCCNC(=O)CCCC#N 11a_100000209983_100000075515 [0,1,0,0,0,0|2,0,1]=4 2725 B12R0.47 CCCCCNC(=O)CCCC#N 1626a_100000209983_100000075515 [0,1,0,0,0,0|2,0,1]=4 2726 B12R0.47 CCCCCNC(=O)CCCC#N 240690a_100000209983_100000075515 [0,1,0,0,0,0|2,0,1]=4 2727 B12R0.47 CCCCCNC(=O)CCCC#N 527a_100000209983_100000075515 [0,1,0,0,0,0|2,0,1]=4 2728 B12R0.47 CCCCCNC(=O)CCCCC 11a_100000209983_100000212188 [0,1,0,0,0,0|1,0,0]=2 2729 B12R0.47 CCCCCNC(=O)CCCCC 1626a_100000209983_100000212188 [0,1,0,0,0,0|1,0,0]=2 2730 B12R0.47 CCCCCNC(=O)CCCCC 240690a_100000209983_100000212188 [0,1,0,0,0,0|1,0,0]=2 2731 B12R0.47 CCCCCNC(=O)CCCCC 527a_100000209983_100000212188 [0,1,0,0,0,0|1,0,0]=2 2732 B12R0.47 CCCCCNC(=O)CCCCO 1626a_100000209983_100000695505 [0,1,0,0,0,0|2,0,0]=3 2733 B12R0.47 CCCCCNC(=O)CCCOC 11a_100000209983_100000741012 [0,1,0,0,0,0|2,0,0]=3 2734 B12R0.47 CCCCCNC(=O)CCCOC 1626a_100000209983_100000741012 [0,1,0,0,0,0|2,0,0]=3 2735 B12R0.47 CCCCCNC(=O)CCCOC 240690a_100000209983_100000741012 [0,1,0,0,0,0|2,0,0]=3 2736 B12R0.47 CCCCCNC(=O)CCCOC 527a_100000209983_100000741012 [0,1,0,0,0,0|2,0,0]=3 2737 B12R0.47 CCCCCNC(=O)CCCSC 11a_100000209983_100000173376 [0,1,0,0,0,0|2,0,0]=3 2738 B12R0.47 CCCCCNC(=O)CCCSC 1626a_100000209983_100000173376 [0,1,0,0,0,0|2,0,0]=3 2739 B12R0.47 CCCCCNC(=O)CCCSC 240690a_100000209983_100000173376 [0,1,0,0,0,0|2,0,0]=3 2740 B12R0.47 CCCCCNC(=O)CCCSC 527a_100000209983_100000173376 [0,1,0,0,0,0|2,0,0]=3 2741 B12R0.47 CCCCCNC(=O)CCOCC 11a_100000209983_100000749530 [0,1,0,0,0,0|2,0,0]=3 2742 B12R0.47 CCCCCNC(=O)CCOCC 1626a_100000209983_100000749530 [0,1,0,0,0,0|2,0,0]=3 2743 B12R0.47 CCCCCNC(=O)CCOCC 240690a_100000209983_100000749530 [0,1,0,0,0,0|2,0,0]=3 2744 B12R0.47 CCCCCNC(=O)CCOCC 527a_100000209983_100000749530 [0,1,0,0,0,0|2,0,0]=3 2745 B12R0.47 CCCCCNC(=O)CCSCC 11a_100000209983_100000230768 [0,1,0,0,0,0|2,0,0]=3 2746 B12R0.47 CCCCCNC(=O)CCSCC 1626a_100000209983_100000230768 [0,1,0,0,0,0|2,0,0]=3 2747 B12R0.47 CCCCCNC(=O)CCSCC 240690a_100000209983_100000230768 [0,1,0,0,0,0|2,0,0]=3 2748 B12R0.47 CCCCCNC(=O)CCSCC 527a_100000209983_100000230768 [0,1,0,0,0,0|2,0,0]=3 2749 B12R0.47 CCCCCNC(=O)CNCCF 34a_100000724931_100000230301 [0,1,0,0,0,0|3,0,0]=4 2750 B12R0.47 CCCCCNC(=O)CNCCO 2230a_100016997473_100000230301 [0,1,0,0,0,0|3,0,0]=4 2751 B12R0.47 CCCCCNC(=O)CNCCO 34a_100016990907_100000230301 [0,1,0,0,0,0|3,0,0]=4 2752 B12R0.47 CCCCCNC(=O)COCCBr 34a_100000211926_100000230301 [0,1,0,0,0,0|3,0,0]=4 2753 B12R0.47 CCCCCNC(=O)COCCC 11a_100000209983_100000745993 [0,1,0,0,0,0|2,0,0]=3 2754 B12R0.47 CCCCCNC(=O)COCCC 1626a_100000209983_100000745993 [0,1,0,0,0,0|2,0,0]=3 2755 B12R0.47 CCCCCNC(=O)COCCC 240690a_100000209983_100000745993 [0,1,0,0,0,0|2,0,0]=3 2756 B12R0.47 CCCCCNC(=O)COCCC 34a_100000210258_100000230301 [0,1,0,0,0,0|2,0,0]=3 2757 B12R0.47 CCCCCNC(=O)COCCC 527a_100000209983_100000745993 [0,1,0,0,0,0|2,0,0]=3 2758 B12R0.47 CCCCCNC(=O)COCCN 34a_100000210304_100000230301 [0,1,0,0,0,0|3,0,0]=4 2759 B12R0.47 CCCCCNC(=O)COCCO 1626a_100000209983_100000708028 [0,1,0,0,0,0|3,0,0]=4 2760 B12R0.47 CCCCCNC(=O)COCCO 240690a_100000209983_100000708028 [0,1,0,0,0,0|3,0,0]=4 2761 B12R0.47 CCCCCNC(=O)CSCCC 11a_100000209983_100000217233 [0,1,0,0,0,0|2,0,0]=3 2762 B12R0.47 CCCCCNC(=O)CSCCC 1626a_100000209983_100000217233 [0,1,0,0,0,0|2,0,0]=3 2763 B12R0.47 CCCCCNC(=O)CSCCC 240690a_100000209983_100000217233 [0,1,0,0,0,0|2,0,0]=3 2764 B12R0.47 CCCCCNC(=O)CSCCC 527a_100000209983_100000217233 [0,1,0,0,0,0|2,0,0]=3 2765 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000210303_100000230301 [0,1,0,0,0,0|2,0,0]=3 2766 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000230301_100000210303 [0,1,0,0,0,0|2,0,0]=3 2767 B12R0.47 CCCCCNC(=O)CSCCF 62a_100000230301_100011217306 [0,1,0,0,0,0|3,0,0]=4 2768 B12R0.47 CCCCCNC(=O)CSCCF 62a_100011217306_100000230301 [0,1,0,0,0,0|3,0,0]=4 2769 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000211926_100000230301 [0,1,0,0,0,0|3,0,0]=4 2770 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000230301_100000211926 [0,1,0,0,0,0|3,0,0]=4 2771 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000230301_100000766300 [0,1,0,0,0,0|3,0,0]=4 2772 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000766300_100000230301 [0,1,0,0,0,0|3,0,0]=4 2773 B12R0.47 CCCCCNC(=O)CSCSC 62a_100000230301_100011218213 [0,1,0,0,0,0|3,0,0]=4 2774 B12R0.47 CCCCCNC(=O)CSCSC 62a_100011218213_100000230301 [0,1,0,0,0,0|3,0,0]=4 2775 B12R0.47 CCCCCNC(=O)NCCC#N 2708a_100000209983_100000720768 [0,1,0,0,0,0|2,0,1]=4 2776 B12R0.47 CCCCCNC(=O)NCCC#N 2708a_100000720768_100000209983 [0,1,0,0,0,0|2,0,1]=4 2777 B12R0.47 CCCCCNC(=O)NCCC#N 273464a_100000209983_100000720768 [0,1,0,0,0,0|2,0,1]=4 2778 B12R0.47 CCCCCNC(=O)NCCC#N 273464a_100000720768_100000209983 [0,1,0,0,0,0|2,0,1]=4 2779 B12R0.47 CCCCCNC(=O)NCCC#N 512a_100000209983_100000720768 [0,1,0,0,0,0|2,0,1]=4 2780 B12R0.47 CCCCCNC(=O)NCCC#N 512a_100000720768_100000209983 [0,1,0,0,0,0|2,0,1]=4 2781 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000102301_100000209983 [0,1,0,0,0,0|1,0,0]=2 2782 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000209983_100000102301 [0,1,0,0,0,0|1,0,0]=2 2783 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000102301_100000209983 [0,1,0,0,0,0|1,0,0]=2 2784 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000209983_100000102301 [0,1,0,0,0,0|1,0,0]=2 2785 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000102301_100000209983 [0,1,0,0,0,0|1,0,0]=2 2786 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000209983_100000102301 [0,1,0,0,0,0|1,0,0]=2 2787 B12R0.47 CCCCCNC(=O)NCCCF 2708a_100000209983_100015189416 [0,1,0,0,0,0|2,0,0]=3 2788 B12R0.47 CCCCCNC(=O)NCCCF 2708a_100015189416_100000209983 [0,1,0,0,0,0|2,0,0]=3 2789 B12R0.47 CCCCCNC(=O)NCCCF 273464a_100000209983_100015189416 [0,1,0,0,0,0|2,0,0]=3 2790 B12R0.47 CCCCCNC(=O)NCCCF 273464a_100015189416_100000209983 [0,1,0,0,0,0|2,0,0]=3 2791 B12R0.47 CCCCCNC(=O)NCCCF 512a_100000209983_100015189416 [0,1,0,0,0,0|2,0,0]=3 2792 B12R0.47 CCCCCNC(=O)NCCCF 512a_100015189416_100000209983 [0,1,0,0,0,0|2,0,0]=3 2793 B12R0.47 CCCCCNC(=O)NCCCO 2708a_100000209983_100000182051 [0,1,0,0,0,0|2,0,0]=3 2794 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000182051_100000209983 [0,1,0,0,0,0|2,0,0]=3 2795 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000209983_100000182051 [0,1,0,0,0,0|2,0,0]=3 2796 B12R0.47 CCCCCNC(=O)NCCCO 512a_100000209983_100000182051 [0,1,0,0,0,0|2,0,0]=3 2797 B12R0.47 CCCCCNC(=O)NCCOC 2708a_100000209983_100000209980 [0,1,0,0,0,0|2,0,0]=3 2798 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209980_100000209983 [0,1,0,0,0,0|2,0,0]=3 2799 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209983_100000209980 [0,1,0,0,0,0|2,0,0]=3 2800 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100000209983_100020590264 [0,1,0,0,0,0|2,0,0]=3 2801 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100020590264_100000209983 [0,1,0,0,0,0|2,0,0]=3 2802 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100000209983_100020590264 [0,1,0,0,0,0|2,0,0]=3 2803 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100020590264_100000209983 [0,1,0,0,0,0|2,0,0]=3 2804 B12R0.47 CCCCCNC(=O)NCCSC 512a_100000209983_100020590264 [0,1,0,0,0,0|2,0,0]=3 2805 B12R0.47 CCCCCNC(=O)NCCSC 512a_100020590264_100000209983 [0,1,0,0,0,0|2,0,0]=3 2806 B12R0.47 CCCCCNC(=O)NNCCC 273464a_100000209983_100000740057 [0,1,0,0,0,0|2,0,0]=3 2807 B12R0.47 CCCCCNC(=O)NNCCC 512a_100000209983_100000740057 [0,1,0,0,0,0|2,0,0]=3 2808 B12R0.47 CCCCCNC(=O)NNCCC 512a_100000740057_100000209983 [0,1,0,0,0,0|2,0,0]=3 2809 B12R0.47 CCCCCNC(=O)NNCCO 273464a_100000209983_100000210001 [0,1,0,0,0,0|3,0,0]=4 2810 B12R0.47 CCCCCNC(=O)NNCCO 512a_100000209983_100000210001 [0,1,0,0,0,0|3,0,0]=4 2811 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000209983_200011218191 [0,1,0,0,0,0|2,0,1]=4 2812 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000211957_100000210326 [0,1,0,0,0,0|2,0,1]=4 2813 B12R0.47 CCCCCNC(C)CCCCC 270004a_100000209983_100000211708 [0,1,0,0,0,0|2,0,1]=4 2814 B12R0.47 CCCCCOC(C)CCCCC 34a_100000210253_200011218191 [0,1,0,0,0,0|1,0,1]=3 2815 B12R0.47 CCCCCOC(C)CCCCC 34a_100011215632_100000718602 [0,1,0,0,0,0|1,0,1]=3 2816 B12R0.47 CCCCCOC(C)CCCCC 7a_100000210253_200011218191 [0,1,0,0,0,0|1,0,1]=3 2817 B12R0.47 CCCCCOC(C)CCCCC 7a_100011215632_100000210326 [0,1,0,0,0,0|1,0,1]=3 2818 B12R0.47 CCCCCOC(C)CCCOC 34a_200011539412_100000718602 [0,1,0,0,0,0|2,0,1]=4 2819 B12R0.47 CCCCCOC(C)CCCOC 7a_200011539412_100000210326 [0,1,0,0,0,0|2,0,1]=4 2820 B12R0.47 CCCCCSC(C)CCCCC 62a_100000210326_200011218191 [0,1,0,0,0,0|1,1,1]=4 2821 B12R0.47 CCCCCSC(C)CCCCC 62a_200011218191_100000210326 [0,1,0,0,0,0|1,1,1]=4 2822 B12R0.47 CCCCNC(=O)CCCCCO 240690a_100000102301_100102619762 [0,1,0,0,0,0|1,0,0]=2 2823 B12R0.47 CCCCNC(=O)CCCN=[N+]=[N-] 11a_100000102301_100010262590 [0,1,0,0,0,0|3,0,0]=4 2824 B12R0.47 CCCCNC(=O)CCCN=[N+]=[N-] 240690a_100000102301_100010262590 [0,1,0,0,0,0|3,0,0]=4 2825 B12R0.47 CCCCNC(=O)CCCN=[N+]=[N-] 527a_100000102301_100010262590 [0,1,0,0,0,0|3,0,0]=4 2826 B12R0.47 CCCCNC(=O)CCOCCO 1626a_100000102301_100011229844 [0,1,0,0,0,0|2,0,0]=3 2827 B12R0.47 CCCCNC(=O)CCOCCO 240690a_100000102301_100011229844 [0,1,0,0,0,0|2,0,0]=3 2828 B12R0.47 CCCCNC(=O)CNCCCF 2230a_100015189416_100000182744 [0,1,0,0,0,0|2,0,0]=3 2829 B12R0.47 CCCCNC(=O)CNCCCF 34a_100015189416_100000182744 [0,1,0,0,0,0|2,0,0]=3 2830 B12R0.47 CCCCNC(=O)CNCCOC 2230a_100000209980_100000182744 [0,1,0,0,0,0|2,0,0]=3 2831 B12R0.47 CCCCNC(=O)CNCCSC 2230a_100020590264_100000182744 [0,1,0,0,0,0|2,0,0]=3 2832 B12R0.47 CCCCNC(=O)COCCCBr 34a_100011217188_100000182744 [0,1,0,0,0,0|2,0,0]=3 2833 B12R0.47 CCCCNC(=O)COCCCC 11a_100000102301_100000757543 [0,1,0,0,0,0|1,0,0]=2 2834 B12R0.47 CCCCNC(=O)COCCCC 1626a_100000102301_100000757543 [0,1,0,0,0,0|1,0,0]=2 2835 B12R0.47 CCCCNC(=O)COCCCC 240690a_100000102301_100000757543 [0,1,0,0,0,0|1,0,0]=2 2836 B12R0.47 CCCCNC(=O)COCCCC 34a_100000210227_100000182744 [0,1,0,0,0,0|1,0,0]=2 2837 B12R0.47 CCCCNC(=O)COCCCC 527a_100000102301_100000757543 [0,1,0,0,0,0|1,0,0]=2 2838 B12R0.47 CCCCNC(=O)COCCCC 7a_100000210227_100000182744 [0,1,0,0,0,0|1,0,0]=2 2839 B12R0.47 CCCCNC(=O)COCCCCl 34a_100000230001_100000182744 [0,1,0,0,0,0|2,0,0]=3 2840 B12R0.47 CCCCNC(=O)COCCCF 34a_100000759539_100000182744 [0,1,0,0,0,0|2,0,0]=3 2841 B12R0.47 CCCCNC(=O)COCCCN 34a_100000182051_100000182744 [0,1,0,0,0,0|2,0,0]=3 2842 B12R0.47 CCCCNC(=O)COCCOC 11a_100000102301_100000211095 [0,1,0,0,0,0|2,0,0]=3 2843 B12R0.47 CCCCNC(=O)COCCOC 1626a_100000102301_100000211095 [0,1,0,0,0,0|2,0,0]=3 2844 B12R0.47 CCCCNC(=O)COCCOC 240690a_100000102301_100000211095 [0,1,0,0,0,0|2,0,0]=3 2845 B12R0.47 CCCCNC(=O)COCCOC 34a_100000210237_100000182744 [0,1,0,0,0,0|2,0,0]=3 2846 B12R0.47 CCCCNC(=O)COCCOC 527a_100000102301_100000211095 [0,1,0,0,0,0|2,0,0]=3 2847 B12R0.47 CCCCNC(=O)COCCON 34a_100000700252_100000182744 [0,1,0,0,0,0|3,0,0]=4 2848 B12R0.47 CCCCNC(=O)COCCSC 34a_100000230434_100000182744 [0,1,0,0,0,0|2,0,0]=3 2849 B12R0.47 CCCCNC(=O)COCCSC 7a_100000230434_100000182744 [0,1,0,0,0,0|2,0,0]=3 2850 B12R0.47 CCCCNC(=O)CSCCC#N 62a_100000182744_100011215226 [0,1,0,0,0,0|2,0,1]=4 2851 B12R0.47 CCCCNC(=O)CSCCC#N 62a_100011215226_100000182744 [0,1,0,0,0,0|2,0,1]=4 2852 B12R0.47 CCCCNC(=O)CSCCCC 11a_100000102301_100000191162 [0,1,0,0,0,0|1,0,0]=2 2853 B12R0.47 CCCCNC(=O)CSCCCC 1626a_100000102301_100000191162 [0,1,0,0,0,0|1,0,0]=2 2854 B12R0.47 CCCCNC(=O)CSCCCC 240690a_100000102301_100000191162 [0,1,0,0,0,0|1,0,0]=2 2855 B12R0.47 CCCCNC(=O)CSCCCC 527a_100000102301_100000191162 [0,1,0,0,0,0|1,0,0]=2 2856 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000182744_100000210210 [0,1,0,0,0,0|1,0,0]=2 2857 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000210211_100000182744 [0,1,0,0,0,0|1,0,0]=2 2858 B12R0.47 CCCCNC(=O)CSCCCF 62a_100000182744_100011934791 [0,1,0,0,0,0|2,0,0]=3 2859 B12R0.47 CCCCNC(=O)CSCCCF 62a_100011934791_100000182744 [0,1,0,0,0,0|2,0,0]=3 2860 B12R0.47 CCCCNC(=O)CSCCCO 62a_100000182744_100011215043 [0,1,0,0,0,0|2,0,0]=3 2861 B12R0.47 CCCCNC(=O)CSCCCO 62a_100011215043_100000182744 [0,1,0,0,0,0|2,0,0]=3 2862 B12R0.47 CCCCNC(=O)CSCCOC 62a_100000182744_100000233755 [0,1,0,0,0,0|2,0,0]=3 2863 B12R0.47 CCCCNC(=O)CSCCOC 62a_100000233755_100000182744 [0,1,0,0,0,0|2,0,0]=3 2864 B12R0.47 CCCCNC(=O)CSCCSC 62a_100000182744_100000751147 [0,1,0,0,0,0|2,0,0]=3 2865 B12R0.47 CCCCNC(=O)CSCCSC 62a_100000212216_100000182744 [0,1,0,0,0,0|2,0,0]=3 2866 B12R0.47 CCCCNC(=O)CSCOCC 62a_100000182744_100000739092 [0,1,0,0,0,0|2,0,0]=3 2867 B12R0.47 CCCCNC(=O)CSCOCC 62a_100000739092_100000182744 [0,1,0,0,0,0|2,0,0]=3 2868 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000102301_100000750430 [0,1,0,0,0,0|2,0,0]=3 2869 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000750430_100000102301 [0,1,0,0,0,0|2,0,0]=3 2870 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000102301_100000750430 [0,1,0,0,0,0|2,0,0]=3 2871 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000750430_100000102301 [0,1,0,0,0,0|2,0,0]=3 2872 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000102301_100000750430 [0,1,0,0,0,0|2,0,0]=3 2873 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000750430_100000102301 [0,1,0,0,0,0|2,0,0]=3 2874 B12R0.47 CCCCNC(=O)NCCCOC 2708a_100000102301_100150723488 [0,1,0,0,0,0|2,0,0]=3 2875 B12R0.47 CCCCNC(=O)NCCCOC 2708a_100150723488_100000102301 [0,1,0,0,0,0|2,0,0]=3 2876 B12R0.47 CCCCNC(=O)NCCCOC 273464a_100000102301_100150723488 [0,1,0,0,0,0|2,0,0]=3 2877 B12R0.47 CCCCNC(=O)NCCCOC 273464a_100150723488_100000102301 [0,1,0,0,0,0|2,0,0]=3 2878 B12R0.47 CCCCNC(=O)NCCCOC 512a_100000102301_100150723488 [0,1,0,0,0,0|2,0,0]=3 2879 B12R0.47 CCCCNC(=O)NCCCSC 2708a_100000102301_100000749238 [0,1,0,0,0,0|2,0,0]=3 2880 B12R0.47 CCCCNC(=O)NCCCSC 2708a_100000749238_100000102301 [0,1,0,0,0,0|2,0,0]=3 2881 B12R0.47 CCCCNC(=O)NCCCSC 273464a_100000102301_100000749238 [0,1,0,0,0,0|2,0,0]=3 2882 B12R0.47 CCCCNC(=O)NCCCSC 273464a_100000749238_100000102301 [0,1,0,0,0,0|2,0,0]=3 2883 B12R0.47 CCCCNC(=O)NCCCSC 512a_100000102301_100000749238 [0,1,0,0,0,0|2,0,0]=3 2884 B12R0.47 CCCCNC(=O)NCCCSC 512a_100000749238_100000102301 [0,1,0,0,0,0|2,0,0]=3 2885 B12R0.47 CCCCNC(=O)NCCOCC 2708a_100000102301_100011200944 [0,1,0,0,0,0|2,0,0]=3 2886 B12R0.47 CCCCNC(=O)NCCOCC 2708a_100011200944_100000102301 [0,1,0,0,0,0|2,0,0]=3 2887 B12R0.47 CCCCNC(=O)NCCOCC 273464a_100000102301_102516460346 [0,1,0,0,0,0|2,0,0]=3 2888 B12R0.47 CCCCNC(=O)NCCOCC 273464a_102516460346_100000102301 [0,1,0,0,0,0|2,0,0]=3 2889 B12R0.47 CCCCNC(=O)NCCOCC 512a_100000102301_100011200944 [0,1,0,0,0,0|2,0,0]=3 2890 B12R0.47 CCCCNC(=O)NCCOCC 512a_100011200944_100000102301 [0,1,0,0,0,0|2,0,0]=3 2891 B12R0.47 CCCCNC(=O)NCCSCC 2708a_100000102301_100000106463 [0,1,0,0,0,0|2,0,0]=3 2892 B12R0.47 CCCCNC(=O)NCCSCC 2708a_100000106463_100000102301 [0,1,0,0,0,0|2,0,0]=3 2893 B12R0.47 CCCCNC(=O)NCCSCC 273464a_100000102301_100000106463 [0,1,0,0,0,0|2,0,0]=3 2894 B12R0.47 CCCCNC(=O)NCCSCC 273464a_100000106463_100000102301 [0,1,0,0,0,0|2,0,0]=3 2895 B12R0.47 CCCCNC(=O)NCCSCC 512a_100000102301_100000106463 [0,1,0,0,0,0|2,0,0]=3 2896 B12R0.47 CCCCNC(=O)NCCSCC 512a_100000106463_100000102301 [0,1,0,0,0,0|2,0,0]=3 2897 B12R0.47 CCCCNC(=O)NNCCOC 273464a_100000102301_100000741390 [0,1,0,0,0,0|3,0,0]=4 2898 B12R0.47 CCCCNCC(=O)NCCCC 2230a_100000102301_100000182744 [0,1,0,0,0,0|1,0,0]=2 2899 B12R0.47 CCCCNCC(=O)NCCCC 7a_106832991798_100000182744 [0,1,0,0,0,0|1,0,0]=2 2900 B12R0.47 CCCCNCC(=O)NCCOC 2230a_100000102301_100000183275 [0,1,0,0,0,0|2,0,0]=3 2901 B12R0.47 CCCCNCC(=O)NCCOC 2230a_100000754632_100000210211 [0,1,0,0,0,0|2,0,0]=3 2902 B12R0.47 CCCCNCC(=O)NCCOC 7a_106832991798_100000183275 [0,1,0,0,0,0|2,0,0]=3 2903 B12R0.47 CCCCNCC(=O)OCCCC 2230a_100000102301_100000211628 [0,1,0,0,0,0|0,0,0]=1 2904 B12R0.47 CCCCNCC(=O)OCCCC 7a_106832991798_100000211628 [0,1,0,0,0,0|0,0,0]=1 2905 B12R0.47 CCCCNCC(=O)OCCOC 2230a_100000102301_200000040189 [0,1,0,0,0,0|1,0,0]=2 2906 B12R0.47 CCCCNCC(=O)OCCOC 7a_106832991798_200000040189 [0,1,0,0,0,0|1,0,0]=2 2907 B12R0.47 CCCCNN=C(C)CCCSC 4a_100025702795_100011399439 [0,1,0,0,0,0|3,0,0]=4 2908 B12R0.47 CCCCNN=C(C)CCOCC 4a_100025702795_200011216536 [0,1,0,0,0,0|3,0,0]=4 2909 B12R0.47 CCCCNN=C(C)CSCCC 4a_100025702795_100011343953 [0,1,0,0,0,0|3,0,0]=4 2910 B12R0.47 CCCCNNC(=O)CCCC#N 22a_100025702795_100000075515 [0,1,0,0,0,0|2,0,1]=4 2911 B12R0.47 CCCCNNC(=O)CCCOC 22a_100025702795_100000741012 [0,1,0,0,0,0|2,0,0]=3 2912 B12R0.47 CCCCNNC(=O)CCCSC 22a_100025702795_100000173376 [0,1,0,0,0,0|2,0,0]=3 2913 B12R0.47 CCCCNNC(=O)CCOCC 22a_100025702795_100000749530 [0,1,0,0,0,0|2,0,0]=3 2914 B12R0.47 CCCCNNC(=O)CCSCC 22a_100025702795_100000230768 [0,1,0,0,0,0|2,0,0]=3 2915 B12R0.47 CCCCNNC(=O)COCCC 22a_100025702795_100000745993 [0,1,0,0,0,0|2,0,0]=3 2916 B12R0.47 CCCCNNC(=O)CSCCC 22a_100025702795_100000217233 [0,1,0,0,0,0|2,0,0]=3 2917 B12R0.47 CCCCNNC(=O)NCCCC 273464a_100000102301_100025702795 [0,1,0,0,0,0|2,0,0]=3 2918 B12R0.47 CCCCNNC(=O)NCCCC 512a_100000102301_100025702795 [0,1,0,0,0,0|2,0,0]=3 2919 B12R0.47 CCCCNNC(=O)NCCCC 512a_100025702795_100000102301 [0,1,0,0,0,0|2,0,0]=3 2920 B12R0.47 CCCCNNC(=O)NCCCF 273464a_100015189416_100025702795 [0,1,0,0,0,0|3,0,0]=4 2921 B12R0.47 CCCCNNC(=O)NCCCF 512a_100015189416_100025702795 [0,1,0,0,0,0|3,0,0]=4 2922 B12R0.47 CCCCNNC(=O)NCCCF 512a_100025702795_100015189416 [0,1,0,0,0,0|3,0,0]=4 2923 B12R0.47 CCCCNNC(=O)NCCCO 273464a_100000182051_100025702795 [0,1,0,0,0,0|3,0,0]=4 2924 B12R0.47 CCCCNNC(=O)NCCCO 512a_100025702795_100000182051 [0,1,0,0,0,0|3,0,0]=4 2925 B12R0.47 CCCCNNC(=O)NCCOC 273464a_100000209980_100025702795 [0,1,0,0,0,0|3,0,0]=4 2926 B12R0.47 CCCCNNC(=O)NCCSC 273464a_100020590264_100025702795 [0,1,0,0,0,0|3,0,0]=4 2927 B12R0.47 CCCCNNC(=O)NCCSC 512a_100020590264_100025702795 [0,1,0,0,0,0|3,0,0]=4 2928 B12R0.47 CCCCNNC(=O)NCCSC 512a_100025702795_100020590264 [0,1,0,0,0,0|3,0,0]=4 2929 B12R0.47 CCCCNNC(=O)NNCCC 512a_100000740057_100025702795 [0,1,0,0,0,0|3,0,0]=4 2930 B12R0.47 CCCCNNC(=O)NNCCC 512a_100025702795_100000740057 [0,1,0,0,0,0|3,0,0]=4 2931 B12R0.47 CCCCOC(=O)CNCCCF 2230a_100015189416_100000211628 [0,1,0,0,0,0|1,0,0]=2 2932 B12R0.47 CCCCOC(=O)CNCCCF 34a_100015189416_100000211628 [0,1,0,0,0,0|1,0,0]=2 2933 B12R0.47 CCCCOC(=O)CNCCOC 2230a_100000209980_100000211628 [0,1,0,0,0,0|1,0,0]=2 2934 B12R0.47 CCCCOC(=O)CNCCSC 2230a_100020590264_100000211628 [0,1,0,0,0,0|1,0,0]=2 2935 B12R0.47 CCCCOC(=O)COCCCBr 34a_100011217188_100000211628 [0,1,0,0,0,0|1,0,0]=2 2936 B12R0.47 CCCCOC(=O)COCCCCl 34a_100000230001_100000211628 [0,1,0,0,0,0|1,0,0]=2 2937 B12R0.47 CCCCOC(=O)COCCCF 34a_100000759539_100000211628 [0,1,0,0,0,0|1,0,0]=2 2938 B12R0.47 CCCCOC(=O)COCCCN 34a_100000182051_100000211628 [0,1,0,0,0,0|1,0,0]=2 2939 B12R0.47 CCCCOC(=O)COCCOC 34a_100000210237_100000211628 [0,1,0,0,0,0|1,0,0]=2 2940 B12R0.47 CCCCOC(=O)COCCON 34a_100000700252_100000211628 [0,1,0,0,0,0|2,0,0]=3 2941 B12R0.47 CCCCOC(=O)COCCSC 34a_100000230434_100000211628 [0,1,0,0,0,0|1,0,0]=2 2942 B12R0.47 CCCCOC(=O)COCCSC 7a_100000230434_100000211628 [0,1,0,0,0,0|1,0,0]=2 2943 B12R0.47 CCCCOC(=O)CSCCC#N 62a_100000211628_100011215226 [0,1,0,0,0,0|1,0,1]=3 2944 B12R0.47 CCCCOC(=O)CSCCC#N 62a_100011215226_100000211628 [0,1,0,0,0,0|1,0,1]=3 2945 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000210211_100000211628 [0,1,0,0,0,0|0,0,0]=1 2946 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000211628_100000210210 [0,1,0,0,0,0|0,0,0]=1 2947 B12R0.47 CCCCOC(=O)CSCCCF 62a_100000211628_100011934791 [0,1,0,0,0,0|1,0,0]=2 2948 B12R0.47 CCCCOC(=O)CSCCCF 62a_100011934791_100000211628 [0,1,0,0,0,0|1,0,0]=2 2949 B12R0.47 CCCCOC(=O)CSCCCO 62a_100000211628_100011215043 [0,1,0,0,0,0|1,0,0]=2 2950 B12R0.47 CCCCOC(=O)CSCCCO 62a_100011215043_100000211628 [0,1,0,0,0,0|1,0,0]=2 2951 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000211628_100000233755 [0,1,0,0,0,0|1,0,0]=2 2952 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000233755_100000211628 [0,1,0,0,0,0|1,0,0]=2 2953 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000211628_100000751147 [0,1,0,0,0,0|1,0,0]=2 2954 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000212216_100000211628 [0,1,0,0,0,0|1,0,0]=2 2955 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000211628_100000739092 [0,1,0,0,0,0|1,0,0]=2 2956 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000739092_100000211628 [0,1,0,0,0,0|1,0,0]=2 2957 B12R0.47 CCCCOC(=O)CSCSC#N 62a_100000211628_100000211825 [0,1,0,0,0,0|2,0,1]=4 2958 B12R0.47 CCCCOC(=O)CSCSC#N 62a_100000211825_100000211628 [0,1,0,0,0,0|2,0,1]=4 2959 B12R0.47 CCCCOCC(=O)C=CCOC 1458a_100016285016_100011995733 [0,1,0,0,0,0|1,0,2]=4 2960 B12R0.47 CCCCOCC(=O)C=COCC 1458a_100016266692_100011995733 [0,1,0,0,0,0|1,0,2]=4 2961 B12R0.47 CCCCOCC(=O)CC#CCO 1458a_100000757543_200000047223 [0,1,0,0,0,0|1,0,2]=4 2962 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000075515_100011995733 [0,1,0,0,0,0|1,0,1]=3 2963 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000757543_100000211468 [0,1,0,0,0,0|1,0,1]=3 2964 B12R0.47 CCCCOCC(=O)CCCCF 1458a_100000757543_100000729493 [0,1,0,0,0,0|1,0,0]=2 2965 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000695505_100011995733 [0,1,0,0,0,0|1,0,0]=2 2966 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000757543_100000210776 [0,1,0,0,0,0|1,0,0]=2 2967 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000741012_100011995733 [0,1,0,0,0,0|1,0,0]=2 2968 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000757543_100000740836 [0,1,0,0,0,0|1,0,0]=2 2969 B12R0.47 CCCCOCC(=O)CCCSC 1458a_100000173376_100011995733 [0,1,0,0,0,0|1,0,0]=2 2970 B12R0.47 CCCCOCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100011995733 [0,1,0,0,0,0|3,0,0]=4 2971 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000749530_100011995733 [0,1,0,0,0,0|1,0,0]=2 2972 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000757543_100011215890 [0,1,0,0,0,0|1,0,0]=2 2973 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000230768_100011995733 [0,1,0,0,0,0|1,0,0]=2 2974 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000757543_100000757381 [0,1,0,0,0,0|1,0,0]=2 2975 B12R0.47 CCCCOCC(=O)COCCC 1458a_100000745993_100011995733 [0,1,0,0,0,0|1,0,0]=2 2976 B12R0.47 CCCCOCC(=O)COCCO 1458a_100000708028_100011995733 [0,1,0,0,0,0|2,0,0]=3 2977 B12R0.47 CCCCOCC(=O)CSCC#N 1458a_100000150266_100011995733 [0,1,0,0,0,0|2,0,1]=4 2978 B12R0.47 CCCCOCC(=O)CSCCC 1458a_100000217233_100011995733 [0,1,0,0,0,0|1,0,0]=2 2979 B12R0.47 CCCCOCC(=O)NCCC#N 11a_100000720768_100000757543 [0,1,0,0,0,0|2,0,1]=4 2980 B12R0.47 CCCCOCC(=O)NCCC#N 1626a_100000720768_100000757543 [0,1,0,0,0,0|2,0,1]=4 2981 B12R0.47 CCCCOCC(=O)NCCC#N 240690a_100000720768_100000757543 [0,1,0,0,0,0|2,0,1]=4 2982 B12R0.47 CCCCOCC(=O)NCCC#N 527a_100000720768_100000757543 [0,1,0,0,0,0|2,0,1]=4 2983 B12R0.47 CCCCOCC(=O)NCCCF 11a_100015189416_100000757543 [0,1,0,0,0,0|2,0,0]=3 2984 B12R0.47 CCCCOCC(=O)NCCCF 1626a_100015189416_100000757543 [0,1,0,0,0,0|2,0,0]=3 2985 B12R0.47 CCCCOCC(=O)NCCCF 240690a_100015189416_100000757543 [0,1,0,0,0,0|2,0,0]=3 2986 B12R0.47 CCCCOCC(=O)NCCCF 527a_100015189416_100000757543 [0,1,0,0,0,0|2,0,0]=3 2987 B12R0.47 CCCCOCC(=O)NCCCO 240690a_100000182051_100000757543 [0,1,0,0,0,0|2,0,0]=3 2988 B12R0.47 CCCCOCC(=O)NCCCO 527a_100000182051_100000757543 [0,1,0,0,0,0|2,0,0]=3 2989 B12R0.47 CCCCOCC(=O)NCCOC 1626a_100000209980_100000757543 [0,1,0,0,0,0|2,0,0]=3 2990 B12R0.47 CCCCOCC(=O)NCCOC 240690a_100000209980_100000757543 [0,1,0,0,0,0|2,0,0]=3 2991 B12R0.47 CCCCOCC(=O)NCCOC 34a_100000210227_100000183275 [0,1,0,0,0,0|2,0,0]=3 2992 B12R0.47 CCCCOCC(=O)NCCOC 527a_100000209980_100000757543 [0,1,0,0,0,0|2,0,0]=3 2993 B12R0.47 CCCCOCC(=O)NCCOC 7a_100000210227_100000183275 [0,1,0,0,0,0|2,0,0]=3 2994 B12R0.47 CCCCOCC(=O)NCCSC 11a_100020590264_100000757543 [0,1,0,0,0,0|2,0,0]=3 2995 B12R0.47 CCCCOCC(=O)NCCSC 1626a_100020590264_100000757543 [0,1,0,0,0,0|2,0,0]=3 2996 B12R0.47 CCCCOCC(=O)NCCSC 240690a_100020590264_100000757543 [0,1,0,0,0,0|2,0,0]=3 2997 B12R0.47 CCCCOCC(=O)NCCSC 527a_100020590264_100000757543 [0,1,0,0,0,0|2,0,0]=3 2998 B12R0.47 CCCCOCC(=O)NNCCC 22a_100000740057_100000757543 [0,1,0,0,0,0|2,0,0]=3 2999 B12R0.47 CCCCOCC(=O)NNCCO 22a_100000210001_100000757543 [0,1,0,0,0,0|3,0,0]=4 3000 B12R0.47 CCCCOCC(=O)OCCCC 34a_100000210227_100000211628 [0,1,0,0,0,0|0,0,0]=1 3001 B12R0.47 CCCCOCC(=O)OCCCC 7a_100000210227_100000211628 [0,1,0,0,0,0|0,0,0]=1 3002 B12R0.47 CCCCOCC(=O)OCCOC 34a_100000210227_200000040189 [0,1,0,0,0,0|1,0,0]=2 3003 B12R0.47 CCCCOCC(=O)OCCOC 7a_100000210227_200000040189 [0,1,0,0,0,0|1,0,0]=2 3004 B12R0.47 CCCCOCC(C)OCCCC 34a_100011217071_100000210210 [0,1,0,0,0,0|1,0,1]=3 3005 B12R0.47 CCCCOCC(C)OCCCC 7a_100011217071_100000210211 [0,1,0,0,0,0|1,0,1]=3 3006 B12R0.47 CCCCOCC(C)OCCCF 34a_100011217071_100011934791 [0,1,0,0,0,0|2,0,1]=4 3007 B12R0.47 CCCCOCC(C)OCCCF 7a_100011217071_100011934791 [0,1,0,0,0,0|2,0,1]=4 3008 B12R0.47 CCCCOCC(C)OCCCO 34a_100011217071_100000230001 [0,1,0,0,0,0|2,0,1]=4 3009 B12R0.47 CCCCOCC(C)OCCCO 7a_100011217071_100011215043 [0,1,0,0,0,0|2,0,1]=4 3010 B12R0.47 CCCCOCC(C)OCCOC 34a_100011217071_100011201679 [0,1,0,0,0,0|2,0,1]=4 3011 B12R0.47 CCCCOCC(C)OCCOC 7a_100011217071_100000233755 [0,1,0,0,0,0|2,0,1]=4 3012 B12R0.47 CCCCOCC(C)OCCSC 34a_100011217071_100000212216 [0,1,0,0,0,0|2,0,1]=4 3013 B12R0.47 CCCCOCC(C)OCCSC 7a_100011217071_100000212216 [0,1,0,0,0,0|2,0,1]=4 3014 B12R0.47 CCCCOCN(C)CCCCO 2230a_100000717598_100011995733 [0,1,0,0,0,0|3,0,0]=4 3015 B12R0.47 CCCCOCN(C)CCCCO 269982a_100000717598_100011995733 [0,1,0,0,0,0|3,0,0]=4 3016 B12R0.47 CCCCOCN(C)CCCOC 2230a_100000224831_100011995733 [0,1,0,0,0,0|3,0,0]=4 3017 B12R0.47 CCCCOCN(C)CCCOC 269982a_100000224831_100011995733 [0,1,0,0,0,0|3,0,0]=4 3018 B12R0.47 CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000210210 [0,1,0,0,0,0|2,0,1]=4 3019 B12R0.47 CCCCSCC(=O)CCCC#N 1458a_100000191162_100000211468 [0,1,0,0,0,0|1,1,1]=4 3020 B12R0.47 CCCCSCC(=O)CCCCF 1458a_100000191162_100000729493 [0,1,0,0,0,0|1,1,0]=3 3021 B12R0.47 CCCCSCC(=O)CCCCO 1458a_100000191162_100000210776 [0,1,0,0,0,0|1,1,0]=3 3022 B12R0.47 CCCCSCC(=O)CCCOC 1458a_100000191162_100000740836 [0,1,0,0,0,0|1,1,0]=3 3023 B12R0.47 CCCCSCC(=O)CCOCC 1458a_100000191162_100011215890 [0,1,0,0,0,0|1,1,0]=3 3024 B12R0.47 CCCCSCC(=O)CCSCC 1458a_100000191162_100000757381 [0,1,0,0,0,0|1,1,0]=3 3025 B12R0.47 CCCCSCC(=O)NCCC#N 11a_100000720768_100000191162 [0,1,0,0,0,0|2,0,1]=4 3026 B12R0.47 CCCCSCC(=O)NCCC#N 1626a_100000720768_100000191162 [0,1,0,0,0,0|2,0,1]=4 3027 B12R0.47 CCCCSCC(=O)NCCC#N 240690a_100000720768_100000191162 [0,1,0,0,0,0|2,0,1]=4 3028 B12R0.47 CCCCSCC(=O)NCCC#N 527a_100000720768_100000191162 [0,1,0,0,0,0|2,0,1]=4 3029 B12R0.47 CCCCSCC(=O)NCCCF 11a_100015189416_100000191162 [0,1,0,0,0,0|2,0,0]=3 3030 B12R0.47 CCCCSCC(=O)NCCCF 1626a_100015189416_100000191162 [0,1,0,0,0,0|2,0,0]=3 3031 B12R0.47 CCCCSCC(=O)NCCCF 240690a_100015189416_100000191162 [0,1,0,0,0,0|2,0,0]=3 3032 B12R0.47 CCCCSCC(=O)NCCCF 527a_100015189416_100000191162 [0,1,0,0,0,0|2,0,0]=3 3033 B12R0.47 CCCCSCC(=O)NCCCO 240690a_100000182051_100000191162 [0,1,0,0,0,0|2,0,0]=3 3034 B12R0.47 CCCCSCC(=O)NCCCO 527a_100000182051_100000191162 [0,1,0,0,0,0|2,0,0]=3 3035 B12R0.47 CCCCSCC(=O)NCCOC 1626a_100000209980_100000191162 [0,1,0,0,0,0|2,0,0]=3 3036 B12R0.47 CCCCSCC(=O)NCCOC 240690a_100000209980_100000191162 [0,1,0,0,0,0|2,0,0]=3 3037 B12R0.47 CCCCSCC(=O)NCCOC 527a_100000209980_100000191162 [0,1,0,0,0,0|2,0,0]=3 3038 B12R0.47 CCCCSCC(=O)NCCOC 62a_100000183275_100000210210 [0,1,0,0,0,0|2,0,0]=3 3039 B12R0.47 CCCCSCC(=O)NCCOC 62a_100000210211_100000183275 [0,1,0,0,0,0|2,0,0]=3 3040 B12R0.47 CCCCSCC(=O)NCCSC 11a_100020590264_100000191162 [0,1,0,0,0,0|2,0,0]=3 3041 B12R0.47 CCCCSCC(=O)NCCSC 1626a_100020590264_100000191162 [0,1,0,0,0,0|2,0,0]=3 3042 B12R0.47 CCCCSCC(=O)NCCSC 240690a_100020590264_100000191162 [0,1,0,0,0,0|2,0,0]=3 3043 B12R0.47 CCCCSCC(=O)NCCSC 527a_100020590264_100000191162 [0,1,0,0,0,0|2,0,0]=3 3044 B12R0.47 CCCCSCC(=O)NNCCC 22a_100000740057_100000191162 [0,1,0,0,0,0|2,0,0]=3 3045 B12R0.47 CCCCSCC(=O)NNCCO 22a_100000210001_100000191162 [0,1,0,0,0,0|3,0,0]=4 3046 B12R0.47 CCCCSCC(=O)OCCOC 62a_100000210211_200000040189 [0,1,0,0,0,0|1,0,0]=2 3047 B12R0.47 CCCCSCC(=O)OCCOC 62a_200000040189_100000210210 [0,1,0,0,0,0|1,0,0]=2 3048 B12R0.47 CCCNNC(=O)CCCCCO 22a_100000740057_100102619762 [0,1,0,0,0,0|2,0,0]=3 3049 B12R0.47 CCCNNC(=O)CCOCCO 22a_100000740057_100011229844 [0,1,0,0,0,0|3,0,0]=4 3050 B12R0.47 CCCNNC(=O)COCCOC 22a_100000740057_100000211095 [0,1,0,0,0,0|3,0,0]=4 3051 B12R0.47 CCCNNC(=O)NCCCCO 273464a_100000750430_100000740057 [0,1,0,0,0,0|3,0,0]=4 3052 B12R0.47 CCCNNC(=O)NCCCCO 512a_100000740057_100000750430 [0,1,0,0,0,0|3,0,0]=4 3053 B12R0.47 CCCNNC(=O)NCCCCO 512a_100000750430_100000740057 [0,1,0,0,0,0|3,0,0]=4 3054 B12R0.47 CCCNNC(=O)NCCCOC 273464a_100150723488_100000740057 [0,1,0,0,0,0|3,0,0]=4 3055 B12R0.47 CCCNNC(=O)NCCCOC 512a_100000740057_100150723488 [0,1,0,0,0,0|3,0,0]=4 3056 B12R0.47 CCCNNC(=O)NCCCSC 273464a_100000749238_100000740057 [0,1,0,0,0,0|3,0,0]=4 3057 B12R0.47 CCCNNC(=O)NCCCSC 512a_100000740057_100000749238 [0,1,0,0,0,0|3,0,0]=4 3058 B12R0.47 CCCNNC(=O)NCCCSC 512a_100000749238_100000740057 [0,1,0,0,0,0|3,0,0]=4 3059 B12R0.47 CCCNNC(=O)NCCOCC 273464a_102516460346_100000740057 [0,1,0,0,0,0|3,0,0]=4 3060 B12R0.47 CCCNNC(=O)NCCOCC 512a_100000740057_100011200944 [0,1,0,0,0,0|3,0,0]=4 3061 B12R0.47 CCCNNC(=O)NCCOCC 512a_100011200944_100000740057 [0,1,0,0,0,0|3,0,0]=4 3062 B12R0.47 CCCNNC(=O)NCCSCC 273464a_100000106463_100000740057 [0,1,0,0,0,0|3,0,0]=4 3063 B12R0.47 CCCNNC(=O)NCCSCC 512a_100000106463_100000740057 [0,1,0,0,0,0|3,0,0]=4 3064 B12R0.47 CCCNNC(=O)NCCSCC 512a_100000740057_100000106463 [0,1,0,0,0,0|3,0,0]=4 3065 B12R0.47 CCCOCC(=O)CCCCC#N 1458a_100000745993_100000211819 [0,1,0,0,0,0|2,0,1]=4 3066 B12R0.47 CCCOCC(=O)CCCCCF 1458a_100000745993_100000729378 [0,1,0,0,0,0|2,0,0]=3 3067 B12R0.47 CCCOCC(=O)CCCCCO 1458a_100000745993_100000746330 [0,1,0,0,0,0|2,0,0]=3 3068 B12R0.47 CCCOCC(=O)CCCCOC 1458a_100000745993_100000755781 [0,1,0,0,0,0|2,0,0]=3 3069 B12R0.47 CCCOCC(=O)CCCOCC 1458a_100000745993_100012232248 [0,1,0,0,0,0|2,0,0]=3 3070 B12R0.47 CCCOCC(=O)CCOCCO 1458a_100000745993_100011215305 [0,1,0,0,0,0|3,0,0]=4 3071 B12R0.47 CCCOCC(=O)NCCCCO 240690a_100000750430_100000745993 [0,1,0,0,0,0|2,0,0]=3 3072 B12R0.47 CCCOCC(=O)NCCCCO 527a_100000750430_100000745993 [0,1,0,0,0,0|2,0,0]=3 3073 B12R0.47 CCCOCC(=O)NCCCOC 1626a_100150723488_100000745993 [0,1,0,0,0,0|2,0,0]=3 3074 B12R0.47 CCCOCC(=O)NCCCOC 240690a_100150723488_100000745993 [0,1,0,0,0,0|2,0,0]=3 3075 B12R0.47 CCCOCC(=O)NCCCOC 34a_100000210258_100000183178 [0,1,0,0,0,0|2,0,0]=3 3076 B12R0.47 CCCOCC(=O)NCCCOC 527a_100150723488_100000745993 [0,1,0,0,0,0|2,0,0]=3 3077 B12R0.47 CCCOCC(=O)NCCCSC 11a_100000749238_100000745993 [0,1,0,0,0,0|2,0,0]=3 3078 B12R0.47 CCCOCC(=O)NCCCSC 1626a_100000749238_100000745993 [0,1,0,0,0,0|2,0,0]=3 3079 B12R0.47 CCCOCC(=O)NCCCSC 240690a_100000749238_100000745993 [0,1,0,0,0,0|2,0,0]=3 3080 B12R0.47 CCCOCC(=O)NCCCSC 527a_100000749238_100000745993 [0,1,0,0,0,0|2,0,0]=3 3081 B12R0.47 CCCOCC(=O)NCCOCC 11a_100011200944_100000745993 [0,1,0,0,0,0|2,0,0]=3 3082 B12R0.47 CCCOCC(=O)NCCOCC 1626a_102516460346_100000745993 [0,1,0,0,0,0|2,0,0]=3 3083 B12R0.47 CCCOCC(=O)NCCOCC 240690a_100011200944_100000745993 [0,1,0,0,0,0|2,0,0]=3 3084 B12R0.47 CCCOCC(=O)NCCOCC 527a_100011200944_100000745993 [0,1,0,0,0,0|2,0,0]=3 3085 B12R0.47 CCCOCC(=O)NCCSCC 11a_100000106463_100000745993 [0,1,0,0,0,0|2,0,0]=3 3086 B12R0.47 CCCOCC(=O)NCCSCC 1626a_100000106463_100000745993 [0,1,0,0,0,0|2,0,0]=3 3087 B12R0.47 CCCOCC(=O)NCCSCC 240690a_100000106463_100000745993 [0,1,0,0,0,0|2,0,0]=3 3088 B12R0.47 CCCOCC(=O)NCCSCC 527a_100000106463_100000745993 [0,1,0,0,0,0|2,0,0]=3 3089 B12R0.47 CCCOCC(=O)NNCCOC 22a_100000741390_100000745993 [0,1,0,0,0,0|3,0,0]=4 3090 B12R0.47 CCCOCC(=O)OCCOCC 34a_100000210258_200000101388 [0,1,0,0,0,0|1,0,0]=2 3091 B12R0.47 CCCOCCC(=O)C=CCOC 1458a_100016285016_100011215938 [0,1,0,0,0,0|2,0,1]=4 3092 B12R0.47 CCCOCCC(=O)C=COCC 1458a_100016266692_100011215938 [0,1,0,0,0,0|2,0,1]=4 3093 B12R0.47 CCCOCCC(=O)CCCC#N 1458a_100000075515_100011215938 [0,1,0,0,0,0|2,0,1]=4 3094 B12R0.47 CCCOCCC(=O)CCCCO 1458a_100000695505_100011215938 [0,1,0,0,0,0|2,0,0]=3 3095 B12R0.47 CCCOCCC(=O)CCCOC 1458a_100000741012_100011215938 [0,1,0,0,0,0|2,0,0]=3 3096 B12R0.47 CCCOCCC(=O)CCCSC 1458a_100000173376_100011215938 [0,1,0,0,0,0|2,0,0]=3 3097 B12R0.47 CCCOCCC(=O)CCOCC 1458a_100000749530_100011215938 [0,1,0,0,0,0|2,0,0]=3 3098 B12R0.47 CCCOCCC(=O)CCSCC 1458a_100000230768_100011215938 [0,1,0,0,0,0|2,0,0]=3 3099 B12R0.47 CCCOCCC(=O)COCCC 1458a_100000745993_100011215938 [0,1,0,0,0,0|2,0,0]=3 3100 B12R0.47 CCCOCCC(=O)COCCO 1458a_100000708028_100011215938 [0,1,0,0,0,0|3,0,0]=4 3101 B12R0.47 CCCOCCC(=O)CSCCC 1458a_100000217233_100011215938 [0,1,0,0,0,0|2,0,0]=3 3102 B12R0.47 CCCSCC(=O)CCCCC#N 1458a_100000217233_100000211819 [0,1,0,0,0,0|2,0,1]=4 3103 B12R0.47 CCCSCC(=O)CCCCCF 1458a_100000217233_100000729378 [0,1,0,0,0,0|2,0,0]=3 3104 B12R0.47 CCCSCC(=O)CCCCCO 1458a_100000217233_100000746330 [0,1,0,0,0,0|2,0,0]=3 3105 B12R0.47 CCCSCC(=O)CCCCOC 1458a_100000217233_100000755781 [0,1,0,0,0,0|2,0,0]=3 3106 B12R0.47 CCCSCC(=O)CCCOCC 1458a_100000217233_100012232248 [0,1,0,0,0,0|2,0,0]=3 3107 B12R0.47 CCCSCC(=O)CCOCCO 1458a_100000217233_100011215305 [0,1,0,0,0,0|3,0,0]=4 3108 B12R0.47 CCCSCC(=O)NCCCCO 240690a_100000750430_100000217233 [0,1,0,0,0,0|2,0,0]=3 3109 B12R0.47 CCCSCC(=O)NCCCCO 527a_100000750430_100000217233 [0,1,0,0,0,0|2,0,0]=3 3110 B12R0.47 CCCSCC(=O)NCCCOC 1626a_100150723488_100000217233 [0,1,0,0,0,0|2,0,0]=3 3111 B12R0.47 CCCSCC(=O)NCCCOC 240690a_100150723488_100000217233 [0,1,0,0,0,0|2,0,0]=3 3112 B12R0.47 CCCSCC(=O)NCCCOC 527a_100150723488_100000217233 [0,1,0,0,0,0|2,0,0]=3 3113 B12R0.47 CCCSCC(=O)NCCCOC 62a_100000183178_100000210303 [0,1,0,0,0,0|2,0,0]=3 3114 B12R0.47 CCCSCC(=O)NCCCSC 11a_100000749238_100000217233 [0,1,0,0,0,0|2,0,0]=3 3115 B12R0.47 CCCSCC(=O)NCCCSC 1626a_100000749238_100000217233 [0,1,0,0,0,0|2,0,0]=3 3116 B12R0.47 CCCSCC(=O)NCCCSC 240690a_100000749238_100000217233 [0,1,0,0,0,0|2,0,0]=3 3117 B12R0.47 CCCSCC(=O)NCCCSC 527a_100000749238_100000217233 [0,1,0,0,0,0|2,0,0]=3 3118 B12R0.47 CCCSCC(=O)NCCOCC 11a_100011200944_100000217233 [0,1,0,0,0,0|2,0,0]=3 3119 B12R0.47 CCCSCC(=O)NCCOCC 1626a_102516460346_100000217233 [0,1,0,0,0,0|2,0,0]=3 3120 B12R0.47 CCCSCC(=O)NCCOCC 240690a_100011200944_100000217233 [0,1,0,0,0,0|2,0,0]=3 3121 B12R0.47 CCCSCC(=O)NCCOCC 527a_100011200944_100000217233 [0,1,0,0,0,0|2,0,0]=3 3122 B12R0.47 CCCSCC(=O)NCCSCC 11a_100000106463_100000217233 [0,1,0,0,0,0|2,0,0]=3 3123 B12R0.47 CCCSCC(=O)NCCSCC 1626a_100000106463_100000217233 [0,1,0,0,0,0|2,0,0]=3 3124 B12R0.47 CCCSCC(=O)NCCSCC 240690a_100000106463_100000217233 [0,1,0,0,0,0|2,0,0]=3 3125 B12R0.47 CCCSCC(=O)NCCSCC 527a_100000106463_100000217233 [0,1,0,0,0,0|2,0,0]=3 3126 B12R0.47 CCCSCC(=O)NNCCOC 22a_100000741390_100000217233 [0,1,0,0,0,0|3,0,0]=4 3127 B12R0.47 CCCSCC(=O)OCCOCC 62a_100000210303_200000101388 [0,1,0,0,0,0|1,0,0]=2 3128 B12R0.47 CCCSCC(=O)OCCOCC 62a_200000101388_100000210303 [0,1,0,0,0,0|1,0,0]=2 3129 B12R0.47 CCOC=CC(=O)CCCCCF 1458a_100016266692_100000729378 [0,1,0,0,0,0|2,0,1]=4 3130 B12R0.47 CCOC=CC(=O)CCCCCO 1458a_100016266692_100000746330 [0,1,0,0,0,0|2,0,1]=4 3131 B12R0.47 CCOC=CC(=O)CCCCOC 1458a_100016266692_100000755781 [0,1,0,0,0,0|2,0,1]=4 3132 B12R0.47 CCOC=CC(=O)CCCOCC 1458a_100016266692_100012232248 [0,1,0,0,0,0|2,0,1]=4 3133 B12R0.47 CCOCCC(=O)CCCCC#N 1458a_100000749530_100000211819 [0,1,0,0,0,0|2,0,1]=4 3134 B12R0.47 CCOCCC(=O)CCCCCF 1458a_100000749530_100000729378 [0,1,0,0,0,0|2,0,0]=3 3135 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100000749530_100000746330 [0,1,0,0,0,0|2,0,0]=3 3136 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100102619762_100011215890 [0,1,0,0,0,0|2,0,0]=3 3137 B12R0.47 CCOCCC(=O)CCCCOC 1458a_100000749530_100000755781 [0,1,0,0,0,0|2,0,0]=3 3138 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100000749530_100011215305 [0,1,0,0,0,0|3,0,0]=4 3139 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100011229844_100011215890 [0,1,0,0,0,0|3,0,0]=4 3140 B12R0.47 CCOCCC(=O)COCCOC 1458a_100000211095_100011215890 [0,1,0,0,0,0|2,0,0]=3 3141 B12R0.47 CCOCCC(=O)NCCCCO 240690a_100000750430_100000749530 [0,1,0,0,0,0|2,0,0]=3 3142 B12R0.47 CCOCCC(=O)NCCCCO 527a_100000750430_100000749530 [0,1,0,0,0,0|2,0,0]=3 3143 B12R0.47 CCOCCC(=O)NCCCOC 1626a_100150723488_100000749530 [0,1,0,0,0,0|2,0,0]=3 3144 B12R0.47 CCOCCC(=O)NCCCOC 240690a_100150723488_100000749530 [0,1,0,0,0,0|2,0,0]=3 3145 B12R0.47 CCOCCC(=O)NCCCOC 527a_100150723488_100000749530 [0,1,0,0,0,0|2,0,0]=3 3146 B12R0.47 CCOCCC(=O)NCCCSC 11a_100000749238_100000749530 [0,1,0,0,0,0|2,0,0]=3 3147 B12R0.47 CCOCCC(=O)NCCCSC 1626a_100000749238_100000749530 [0,1,0,0,0,0|2,0,0]=3 3148 B12R0.47 CCOCCC(=O)NCCCSC 240690a_100000749238_100000749530 [0,1,0,0,0,0|2,0,0]=3 3149 B12R0.47 CCOCCC(=O)NCCCSC 527a_100000749238_100000749530 [0,1,0,0,0,0|2,0,0]=3 3150 B12R0.47 CCOCCC(=O)NCCSCC 11a_100000106463_100000749530 [0,1,0,0,0,0|2,0,0]=3 3151 B12R0.47 CCOCCC(=O)NCCSCC 1626a_100000106463_100000749530 [0,1,0,0,0,0|2,0,0]=3 3152 B12R0.47 CCOCCC(=O)NCCSCC 240690a_100000106463_100000749530 [0,1,0,0,0,0|2,0,0]=3 3153 B12R0.47 CCOCCC(=O)NCCSCC 527a_100000106463_100000749530 [0,1,0,0,0,0|2,0,0]=3 3154 B12R0.47 CCOCCC(=O)NNCCOC 22a_100000741390_100000749530 [0,1,0,0,0,0|3,0,0]=4 3155 B12R0.47 CCOCCCC(=O)C=CCOC 1458a_100016285016_100012232248 [0,1,0,0,0,0|2,0,1]=4 3156 B12R0.47 CCOCCCC(=O)CCCC#N 1458a_100000075515_100012232248 [0,1,0,0,0,0|2,0,1]=4 3157 B12R0.47 CCOCCCC(=O)CCCCO 1458a_100000695505_100012232248 [0,1,0,0,0,0|2,0,0]=3 3158 B12R0.47 CCOCCCC(=O)CCCOC 1458a_100000741012_100012232248 [0,1,0,0,0,0|2,0,0]=3 3159 B12R0.47 CCOCCCC(=O)CCCSC 1458a_100000173376_100012232248 [0,1,0,0,0,0|2,0,0]=3 3160 B12R0.47 CCOCCCC(=O)CCOCC 1458a_100000749530_100012232248 [0,1,0,0,0,0|2,0,0]=3 3161 B12R0.47 CCOCCCC(=O)CCSCC 1458a_100000230768_100012232248 [0,1,0,0,0,0|2,0,0]=3 3162 B12R0.47 CCOCCCC(=O)COCCO 1458a_100000708028_100012232248 [0,1,0,0,0,0|3,0,0]=4 3163 B12R0.47 CCOCCNC(=O)CCCC#N 11a_100011200944_100000075515 [0,1,0,0,0,0|2,0,1]=4 3164 B12R0.47 CCOCCNC(=O)CCCC#N 1626a_102516460346_100000075515 [0,1,0,0,0,0|2,0,1]=4 3165 B12R0.47 CCOCCNC(=O)CCCC#N 240690a_100011200944_100000075515 [0,1,0,0,0,0|2,0,1]=4 3166 B12R0.47 CCOCCNC(=O)CCCC#N 527a_100011200944_100000075515 [0,1,0,0,0,0|2,0,1]=4 3167 B12R0.47 CCOCCNC(=O)CCCCO 1626a_102516460346_100000695505 [0,1,0,0,0,0|2,0,0]=3 3168 B12R0.47 CCOCCNC(=O)CCCOC 11a_100011200944_100000741012 [0,1,0,0,0,0|2,0,0]=3 3169 B12R0.47 CCOCCNC(=O)CCCOC 1626a_102516460346_100000741012 [0,1,0,0,0,0|2,0,0]=3 3170 B12R0.47 CCOCCNC(=O)CCCOC 240690a_100011200944_100000741012 [0,1,0,0,0,0|2,0,0]=3 3171 B12R0.47 CCOCCNC(=O)CCCOC 527a_100011200944_100000741012 [0,1,0,0,0,0|2,0,0]=3 3172 B12R0.47 CCOCCNC(=O)CCCSC 11a_100011200944_100000173376 [0,1,0,0,0,0|2,0,0]=3 3173 B12R0.47 CCOCCNC(=O)CCCSC 1626a_102516460346_100000173376 [0,1,0,0,0,0|2,0,0]=3 3174 B12R0.47 CCOCCNC(=O)CCCSC 240690a_100011200944_100000173376 [0,1,0,0,0,0|2,0,0]=3 3175 B12R0.47 CCOCCNC(=O)CCCSC 527a_100011200944_100000173376 [0,1,0,0,0,0|2,0,0]=3 3176 B12R0.47 CCOCCNC(=O)CCOCC 11a_100011200944_100000749530 [0,1,0,0,0,0|2,0,0]=3 3177 B12R0.47 CCOCCNC(=O)CCOCC 1626a_102516460346_100000749530 [0,1,0,0,0,0|2,0,0]=3 3178 B12R0.47 CCOCCNC(=O)CCOCC 240690a_100011200944_100000749530 [0,1,0,0,0,0|2,0,0]=3 3179 B12R0.47 CCOCCNC(=O)CCOCC 527a_100011200944_100000749530 [0,1,0,0,0,0|2,0,0]=3 3180 B12R0.47 CCOCCNC(=O)CCSCC 11a_100011200944_100000230768 [0,1,0,0,0,0|2,0,0]=3 3181 B12R0.47 CCOCCNC(=O)CCSCC 1626a_102516460346_100000230768 [0,1,0,0,0,0|2,0,0]=3 3182 B12R0.47 CCOCCNC(=O)CCSCC 240690a_100011200944_100000230768 [0,1,0,0,0,0|2,0,0]=3 3183 B12R0.47 CCOCCNC(=O)CCSCC 527a_100011200944_100000230768 [0,1,0,0,0,0|2,0,0]=3 3184 B12R0.47 CCOCCNC(=O)COCCO 1626a_102516460346_100000708028 [0,1,0,0,0,0|3,0,0]=4 3185 B12R0.47 CCOCCNC(=O)COCCO 240690a_100011200944_100000708028 [0,1,0,0,0,0|3,0,0]=4 3186 B12R0.47 CCOCCNC(=O)NCCCF 2708a_100011200944_100015189416 [0,1,0,0,0,0|3,0,0]=4 3187 B12R0.47 CCOCCNC(=O)NCCCF 2708a_100015189416_100011200944 [0,1,0,0,0,0|3,0,0]=4 3188 B12R0.47 CCOCCNC(=O)NCCCF 273464a_100015189416_102516460346 [0,1,0,0,0,0|3,0,0]=4 3189 B12R0.47 CCOCCNC(=O)NCCCF 273464a_102516460346_100015189416 [0,1,0,0,0,0|3,0,0]=4 3190 B12R0.47 CCOCCNC(=O)NCCCF 512a_100011200944_100015189416 [0,1,0,0,0,0|3,0,0]=4 3191 B12R0.47 CCOCCNC(=O)NCCCF 512a_100015189416_100011200944 [0,1,0,0,0,0|3,0,0]=4 3192 B12R0.47 CCOCCNC(=O)NCCCO 2708a_100011200944_100000182051 [0,1,0,0,0,0|3,0,0]=4 3193 B12R0.47 CCOCCNC(=O)NCCCO 273464a_100000182051_102516460346 [0,1,0,0,0,0|3,0,0]=4 3194 B12R0.47 CCOCCNC(=O)NCCCO 273464a_102516460346_100000182051 [0,1,0,0,0,0|3,0,0]=4 3195 B12R0.47 CCOCCNC(=O)NCCCO 512a_100011200944_100000182051 [0,1,0,0,0,0|3,0,0]=4 3196 B12R0.47 CCOCCNC(=O)NCCOC 2708a_100011200944_100000209980 [0,1,0,0,0,0|3,0,0]=4 3197 B12R0.47 CCOCCNC(=O)NCCOC 273464a_100000209980_102516460346 [0,1,0,0,0,0|3,0,0]=4 3198 B12R0.47 CCOCCNC(=O)NCCOC 273464a_102516460346_100000209980 [0,1,0,0,0,0|3,0,0]=4 3199 B12R0.47 CCOCCNC(=O)NCCSC 2708a_100011200944_100020590264 [0,1,0,0,0,0|3,0,0]=4 3200 B12R0.47 CCOCCNC(=O)NCCSC 2708a_100020590264_100011200944 [0,1,0,0,0,0|3,0,0]=4 3201 B12R0.47 CCOCCNC(=O)NCCSC 273464a_100020590264_102516460346 [0,1,0,0,0,0|3,0,0]=4 3202 B12R0.47 CCOCCNC(=O)NCCSC 273464a_102516460346_100020590264 [0,1,0,0,0,0|3,0,0]=4 3203 B12R0.47 CCOCCNC(=O)NCCSC 512a_100011200944_100020590264 [0,1,0,0,0,0|3,0,0]=4 3204 B12R0.47 CCOCCNC(=O)NCCSC 512a_100020590264_100011200944 [0,1,0,0,0,0|3,0,0]=4 3205 B12R0.47 CCOCCOC(=O)CNCCF 34a_100000724931_200000101388 [0,1,0,0,0,0|2,0,0]=3 3206 B12R0.47 CCOCCOC(=O)CNCCO 2230a_100016997473_200000101388 [0,1,0,0,0,0|2,0,0]=3 3207 B12R0.47 CCOCCOC(=O)CNCCO 34a_100016990907_200000101388 [0,1,0,0,0,0|2,0,0]=3 3208 B12R0.47 CCOCCOC(=O)COCCBr 34a_100000211926_200000101388 [0,1,0,0,0,0|2,0,0]=3 3209 B12R0.47 CCOCCOC(=O)COCCN 34a_100000210304_200000101388 [0,1,0,0,0,0|2,0,0]=3 3210 B12R0.47 CCOCCOC(=O)CSCC#N 62a_100011215382_200000101388 [0,1,0,0,0,0|2,0,1]=4 3211 B12R0.47 CCOCCOC(=O)CSCC#N 62a_200000101388_100011215382 [0,1,0,0,0,0|2,0,1]=4 3212 B12R0.47 CCOCCOC(=O)CSCC=O 62a_200000101388_200015260668 [0,1,0,0,0,0|2,0,1]=4 3213 B12R0.47 CCOCCOC(=O)CSCC=O 62a_200015260668_200000101388 [0,1,0,0,0,0|2,0,1]=4 3214 B12R0.47 CCOCCOC(=O)CSCCF 62a_100011217306_200000101388 [0,1,0,0,0,0|2,0,0]=3 3215 B12R0.47 CCOCCOC(=O)CSCCF 62a_200000101388_100011217306 [0,1,0,0,0,0|2,0,0]=3 3216 B12R0.47 CCOCCOC(=O)CSCCO 62a_100000211926_200000101388 [0,1,0,0,0,0|2,0,0]=3 3217 B12R0.47 CCOCCOC(=O)CSCCO 62a_200000101388_100000211926 [0,1,0,0,0,0|2,0,0]=3 3218 B12R0.47 CCOCCOC(=O)CSCOC 62a_100000766300_200000101388 [0,1,0,0,0,0|2,0,0]=3 3219 B12R0.47 CCOCCOC(=O)CSCOC 62a_200000101388_100000766300 [0,1,0,0,0,0|2,0,0]=3 3220 B12R0.47 CCOCCOC(=O)CSCSC 62a_100011218213_200000101388 [0,1,0,0,0,0|2,0,0]=3 3221 B12R0.47 CCOCCOC(=O)CSCSC 62a_200000101388_100011218213 [0,1,0,0,0,0|2,0,0]=3 3222 B12R0.47 CCOCCOC(C)CCCOC 34a_200011539412_100000210147 [0,1,0,0,0,0|2,0,1]=4 3223 B12R0.47 CCOCCOC(C)CCCOC 7a_200011539412_100011215890 [0,1,0,0,0,0|2,0,1]=4 3224 B12R0.47 CCOCSCC(=O)NCCOC 62a_100000183275_100000739092 [0,1,0,0,0,0|3,0,0]=4 3225 B12R0.47 CCOCSCC(=O)NCCOC 62a_100000739092_100000183275 [0,1,0,0,0,0|3,0,0]=4 3226 B12R0.47 CCOCSCC(=O)OCCOC 62a_100000739092_200000040189 [0,1,0,0,0,0|2,0,0]=3 3227 B12R0.47 CCOCSCC(=O)OCCOC 62a_200000040189_100000739092 [0,1,0,0,0,0|2,0,0]=3 3228 B12R0.47 CCSCCC(=O)CCCCC#N 1458a_100000230768_100000211819 [0,1,0,0,0,0|2,0,1]=4 3229 B12R0.47 CCSCCC(=O)CCCCCF 1458a_100000230768_100000729378 [0,1,0,0,0,0|2,0,0]=3 3230 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100000230768_100000746330 [0,1,0,0,0,0|2,0,0]=3 3231 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100102619762_100000757381 [0,1,0,0,0,0|2,0,0]=3 3232 B12R0.47 CCSCCC(=O)CCCCOC 1458a_100000230768_100000755781 [0,1,0,0,0,0|2,0,0]=3 3233 B12R0.47 CCSCCC(=O)CCOCCO 1458a_100000230768_100011215305 [0,1,0,0,0,0|3,0,0]=4 3234 B12R0.47 CCSCCC(=O)CCOCCO 1458a_100011229844_100000757381 [0,1,0,0,0,0|3,0,0]=4 3235 B12R0.47 CCSCCC(=O)COCCOC 1458a_100000211095_100000757381 [0,1,0,0,0,0|2,0,0]=3 3236 B12R0.47 CCSCCC(=O)NCCCCO 240690a_100000750430_100000230768 [0,1,0,0,0,0|2,0,0]=3 3237 B12R0.47 CCSCCC(=O)NCCCCO 527a_100000750430_100000230768 [0,1,0,0,0,0|2,0,0]=3 3238 B12R0.47 CCSCCC(=O)NCCCOC 1626a_100150723488_100000230768 [0,1,0,0,0,0|2,0,0]=3 3239 B12R0.47 CCSCCC(=O)NCCCOC 240690a_100150723488_100000230768 [0,1,0,0,0,0|2,0,0]=3 3240 B12R0.47 CCSCCC(=O)NCCCOC 527a_100150723488_100000230768 [0,1,0,0,0,0|2,0,0]=3 3241 B12R0.47 CCSCCC(=O)NCCCSC 11a_100000749238_100000230768 [0,1,0,0,0,0|2,0,0]=3 3242 B12R0.47 CCSCCC(=O)NCCCSC 1626a_100000749238_100000230768 [0,1,0,0,0,0|2,0,0]=3 3243 B12R0.47 CCSCCC(=O)NCCCSC 240690a_100000749238_100000230768 [0,1,0,0,0,0|2,0,0]=3 3244 B12R0.47 CCSCCC(=O)NCCCSC 527a_100000749238_100000230768 [0,1,0,0,0,0|2,0,0]=3 3245 B12R0.47 CCSCCC(=O)NNCCOC 22a_100000741390_100000230768 [0,1,0,0,0,0|3,0,0]=4 3246 B12R0.47 CCSCCNC(=O)CCCC#N 11a_100000106463_100000075515 [0,1,0,0,0,0|2,0,1]=4 3247 B12R0.47 CCSCCNC(=O)CCCC#N 1626a_100000106463_100000075515 [0,1,0,0,0,0|2,0,1]=4 3248 B12R0.47 CCSCCNC(=O)CCCC#N 240690a_100000106463_100000075515 [0,1,0,0,0,0|2,0,1]=4 3249 B12R0.47 CCSCCNC(=O)CCCC#N 527a_100000106463_100000075515 [0,1,0,0,0,0|2,0,1]=4 3250 B12R0.47 CCSCCNC(=O)CCCCO 1626a_100000106463_100000695505 [0,1,0,0,0,0|2,0,0]=3 3251 B12R0.47 CCSCCNC(=O)CCCOC 11a_100000106463_100000741012 [0,1,0,0,0,0|2,0,0]=3 3252 B12R0.47 CCSCCNC(=O)CCCOC 1626a_100000106463_100000741012 [0,1,0,0,0,0|2,0,0]=3 3253 B12R0.47 CCSCCNC(=O)CCCOC 240690a_100000106463_100000741012 [0,1,0,0,0,0|2,0,0]=3 3254 B12R0.47 CCSCCNC(=O)CCCOC 527a_100000106463_100000741012 [0,1,0,0,0,0|2,0,0]=3 3255 B12R0.47 CCSCCNC(=O)CCCSC 11a_100000106463_100000173376 [0,1,0,0,0,0|2,0,0]=3 3256 B12R0.47 CCSCCNC(=O)CCCSC 1626a_100000106463_100000173376 [0,1,0,0,0,0|2,0,0]=3 3257 B12R0.47 CCSCCNC(=O)CCCSC 240690a_100000106463_100000173376 [0,1,0,0,0,0|2,0,0]=3 3258 B12R0.47 CCSCCNC(=O)CCCSC 527a_100000106463_100000173376 [0,1,0,0,0,0|2,0,0]=3 3259 B12R0.47 CCSCCNC(=O)CCSCC 11a_100000106463_100000230768 [0,1,0,0,0,0|2,0,0]=3 3260 B12R0.47 CCSCCNC(=O)CCSCC 1626a_100000106463_100000230768 [0,1,0,0,0,0|2,0,0]=3 3261 B12R0.47 CCSCCNC(=O)CCSCC 240690a_100000106463_100000230768 [0,1,0,0,0,0|2,0,0]=3 3262 B12R0.47 CCSCCNC(=O)CCSCC 527a_100000106463_100000230768 [0,1,0,0,0,0|2,0,0]=3 3263 B12R0.47 CCSCCNC(=O)COCCO 1626a_100000106463_100000708028 [0,1,0,0,0,0|3,0,0]=4 3264 B12R0.47 CCSCCNC(=O)COCCO 240690a_100000106463_100000708028 [0,1,0,0,0,0|3,0,0]=4 3265 B12R0.47 CCSCCNC(=O)NCCCF 2708a_100000106463_100015189416 [0,1,0,0,0,0|3,0,0]=4 3266 B12R0.47 CCSCCNC(=O)NCCCF 2708a_100015189416_100000106463 [0,1,0,0,0,0|3,0,0]=4 3267 B12R0.47 CCSCCNC(=O)NCCCF 273464a_100000106463_100015189416 [0,1,0,0,0,0|3,0,0]=4 3268 B12R0.47 CCSCCNC(=O)NCCCF 273464a_100015189416_100000106463 [0,1,0,0,0,0|3,0,0]=4 3269 B12R0.47 CCSCCNC(=O)NCCCF 512a_100000106463_100015189416 [0,1,0,0,0,0|3,0,0]=4 3270 B12R0.47 CCSCCNC(=O)NCCCF 512a_100015189416_100000106463 [0,1,0,0,0,0|3,0,0]=4 3271 B12R0.47 CCSCCNC(=O)NCCCO 2708a_100000106463_100000182051 [0,1,0,0,0,0|3,0,0]=4 3272 B12R0.47 CCSCCNC(=O)NCCCO 273464a_100000106463_100000182051 [0,1,0,0,0,0|3,0,0]=4 3273 B12R0.47 CCSCCNC(=O)NCCCO 273464a_100000182051_100000106463 [0,1,0,0,0,0|3,0,0]=4 3274 B12R0.47 CCSCCNC(=O)NCCCO 512a_100000106463_100000182051 [0,1,0,0,0,0|3,0,0]=4 3275 B12R0.47 CCSCCNC(=O)NCCOC 2708a_100000106463_100000209980 [0,1,0,0,0,0|3,0,0]=4 3276 B12R0.47 CCSCCNC(=O)NCCOC 273464a_100000106463_100000209980 [0,1,0,0,0,0|3,0,0]=4 3277 B12R0.47 CCSCCNC(=O)NCCOC 273464a_100000209980_100000106463 [0,1,0,0,0,0|3,0,0]=4 3278 B12R0.47 CCSCCNC(=O)NCCSC 2708a_100000106463_100020590264 [0,1,0,0,0,0|3,0,0]=4 3279 B12R0.47 CCSCCNC(=O)NCCSC 2708a_100020590264_100000106463 [0,1,0,0,0,0|3,0,0]=4 3280 B12R0.47 CCSCCNC(=O)NCCSC 273464a_100000106463_100020590264 [0,1,0,0,0,0|3,0,0]=4 3281 B12R0.47 CCSCCNC(=O)NCCSC 273464a_100020590264_100000106463 [0,1,0,0,0,0|3,0,0]=4 3282 B12R0.47 CCSCCNC(=O)NCCSC 512a_100000106463_100020590264 [0,1,0,0,0,0|3,0,0]=4 3283 B12R0.47 CCSCCNC(=O)NCCSC 512a_100020590264_100000106463 [0,1,0,0,0,0|3,0,0]=4 3284 B12R0.47 CCSCCOC(C)CCCOC 34a_200011539412_100000757381 [0,1,0,0,0,0|2,0,1]=4 3285 B12R0.47 CCSCCOC(C)CCCOC 7a_200011539412_100000757381 [0,1,0,0,0,0|2,0,1]=4 3286 B12R0.47 COCC=CC(=O)CCCCCF 1458a_100016285016_100000729378 [0,1,0,0,0,0|2,0,1]=4 3287 B12R0.47 COCC=CC(=O)CCCCCO 1458a_100016285016_100000746330 [0,1,0,0,0,0|2,0,1]=4 3288 B12R0.47 COCC=CC(=O)CCCCOC 1458a_100016285016_100000755781 [0,1,0,0,0,0|2,0,1]=4 3289 B12R0.47 COCCCC(=O)CCCCC#N 1458a_100000741012_100000211819 [0,1,0,0,0,0|2,0,1]=4 3290 B12R0.47 COCCCC(=O)CCCCCF 1458a_100000741012_100000729378 [0,1,0,0,0,0|2,0,0]=3 3291 B12R0.47 COCCCC(=O)CCCCCO 1458a_100000741012_100000746330 [0,1,0,0,0,0|2,0,0]=3 3292 B12R0.47 COCCCC(=O)CCCCCO 1458a_100102619762_100000740836 [0,1,0,0,0,0|2,0,0]=3 3293 B12R0.47 COCCCC(=O)CCOCCO 1458a_100000741012_100011215305 [0,1,0,0,0,0|3,0,0]=4 3294 B12R0.47 COCCCC(=O)CCOCCO 1458a_100011229844_100000740836 [0,1,0,0,0,0|3,0,0]=4 3295 B12R0.47 COCCCC(=O)COCCOC 1458a_100000211095_100000740836 [0,1,0,0,0,0|2,0,0]=3 3296 B12R0.47 COCCCC(=O)NCCCCO 240690a_100000750430_100000741012 [0,1,0,0,0,0|2,0,0]=3 3297 B12R0.47 COCCCC(=O)NCCCCO 527a_100000750430_100000741012 [0,1,0,0,0,0|2,0,0]=3 3298 B12R0.47 COCCCC(=O)NCCCSC 11a_100000749238_100000741012 [0,1,0,0,0,0|2,0,0]=3 3299 B12R0.47 COCCCC(=O)NCCCSC 1626a_100000749238_100000741012 [0,1,0,0,0,0|2,0,0]=3 3300 B12R0.47 COCCCC(=O)NCCCSC 240690a_100000749238_100000741012 [0,1,0,0,0,0|2,0,0]=3 3301 B12R0.47 COCCCC(=O)NCCCSC 527a_100000749238_100000741012 [0,1,0,0,0,0|2,0,0]=3 3302 B12R0.47 COCCCC(=O)NNCCOC 22a_100000741390_100000741012 [0,1,0,0,0,0|3,0,0]=4 3303 B12R0.47 COCCCC(C)OCCCCF 34a_200011539412_100000729493 [0,1,0,0,0,0|2,0,1]=4 3304 B12R0.47 COCCCC(C)OCCCCF 7a_200011539412_100000729493 [0,1,0,0,0,0|2,0,1]=4 3305 B12R0.47 COCCCC(C)OCCCCO 34a_200011539412_100011216708 [0,1,0,0,0,0|2,0,1]=4 3306 B12R0.47 COCCCC(C)OCCCCO 7a_200011539412_100000210776 [0,1,0,0,0,0|2,0,1]=4 3307 B12R0.47 COCCCCC(=O)CCCC#N 1458a_100000075515_100000755781 [0,1,0,0,0,0|2,0,1]=4 3308 B12R0.47 COCCCCC(=O)CCCCO 1458a_100000695505_100000755781 [0,1,0,0,0,0|2,0,0]=3 3309 B12R0.47 COCCCCC(=O)CCCOC 1458a_100000741012_100000755781 [0,1,0,0,0,0|2,0,0]=3 3310 B12R0.47 COCCCCC(=O)CCCSC 1458a_100000173376_100000755781 [0,1,0,0,0,0|2,0,0]=3 3311 B12R0.47 COCCCCC(=O)COCCO 1458a_100000708028_100000755781 [0,1,0,0,0,0|3,0,0]=4 3312 B12R0.47 COCCCNC(=O)CCCC#N 1626a_100150723488_100000075515 [0,1,0,0,0,0|2,0,1]=4 3313 B12R0.47 COCCCNC(=O)CCCC#N 240690a_100150723488_100000075515 [0,1,0,0,0,0|2,0,1]=4 3314 B12R0.47 COCCCNC(=O)CCCC#N 527a_100150723488_100000075515 [0,1,0,0,0,0|2,0,1]=4 3315 B12R0.47 COCCCNC(=O)CCCCO 1626a_100150723488_100000695505 [0,1,0,0,0,0|2,0,0]=3 3316 B12R0.47 COCCCNC(=O)CCCOC 1626a_100150723488_100000741012 [0,1,0,0,0,0|2,0,0]=3 3317 B12R0.47 COCCCNC(=O)CCCOC 240690a_100150723488_100000741012 [0,1,0,0,0,0|2,0,0]=3 3318 B12R0.47 COCCCNC(=O)CCCOC 527a_100150723488_100000741012 [0,1,0,0,0,0|2,0,0]=3 3319 B12R0.47 COCCCNC(=O)CCCSC 1626a_100150723488_100000173376 [0,1,0,0,0,0|2,0,0]=3 3320 B12R0.47 COCCCNC(=O)CCCSC 240690a_100150723488_100000173376 [0,1,0,0,0,0|2,0,0]=3 3321 B12R0.47 COCCCNC(=O)CCCSC 527a_100150723488_100000173376 [0,1,0,0,0,0|2,0,0]=3 3322 B12R0.47 COCCCNC(=O)CNCCF 34a_100000724931_100000183178 [0,1,0,0,0,0|3,0,0]=4 3323 B12R0.47 COCCCNC(=O)CNCCO 2230a_100016997473_100000183178 [0,1,0,0,0,0|3,0,0]=4 3324 B12R0.47 COCCCNC(=O)CNCCO 34a_100016990907_100000183178 [0,1,0,0,0,0|3,0,0]=4 3325 B12R0.47 COCCCNC(=O)COCCBr 34a_100000211926_100000183178 [0,1,0,0,0,0|3,0,0]=4 3326 B12R0.47 COCCCNC(=O)COCCN 34a_100000210304_100000183178 [0,1,0,0,0,0|3,0,0]=4 3327 B12R0.47 COCCCNC(=O)COCCO 1626a_100150723488_100000708028 [0,1,0,0,0,0|3,0,0]=4 3328 B12R0.47 COCCCNC(=O)COCCO 240690a_100150723488_100000708028 [0,1,0,0,0,0|3,0,0]=4 3329 B12R0.47 COCCCNC(=O)CSCCF 62a_100000183178_100011217306 [0,1,0,0,0,0|3,0,0]=4 3330 B12R0.47 COCCCNC(=O)CSCCO 62a_100000183178_100000211926 [0,1,0,0,0,0|3,0,0]=4 3331 B12R0.47 COCCCNC(=O)CSCOC 62a_100000183178_100000766300 [0,1,0,0,0,0|3,0,0]=4 3332 B12R0.47 COCCCNC(=O)CSCSC 62a_100000183178_100011218213 [0,1,0,0,0,0|3,0,0]=4 3333 B12R0.47 COCCCNC(=O)NCCCF 2708a_100015189416_100150723488 [0,1,0,0,0,0|3,0,0]=4 3334 B12R0.47 COCCCNC(=O)NCCCF 2708a_100150723488_100015189416 [0,1,0,0,0,0|3,0,0]=4 3335 B12R0.47 COCCCNC(=O)NCCCF 273464a_100015189416_100150723488 [0,1,0,0,0,0|3,0,0]=4 3336 B12R0.47 COCCCNC(=O)NCCCF 273464a_100150723488_100015189416 [0,1,0,0,0,0|3,0,0]=4 3337 B12R0.47 COCCCNC(=O)NCCCF 512a_100015189416_100150723488 [0,1,0,0,0,0|3,0,0]=4 3338 B12R0.47 COCCCNC(=O)NCCCO 2708a_100150723488_100000182051 [0,1,0,0,0,0|3,0,0]=4 3339 B12R0.47 COCCCNC(=O)NCCCO 273464a_100000182051_100150723488 [0,1,0,0,0,0|3,0,0]=4 3340 B12R0.47 COCCCNC(=O)NCCCO 273464a_100150723488_100000182051 [0,1,0,0,0,0|3,0,0]=4 3341 B12R0.47 COCCCNC(=O)NCCOC 2708a_100150723488_100000209980 [0,1,0,0,0,0|3,0,0]=4 3342 B12R0.47 COCCCNC(=O)NCCOC 273464a_100000209980_100150723488 [0,1,0,0,0,0|3,0,0]=4 3343 B12R0.47 COCCCNC(=O)NCCOC 273464a_100150723488_100000209980 [0,1,0,0,0,0|3,0,0]=4 3344 B12R0.47 COCCCNC(=O)NCCSC 2708a_100020590264_100150723488 [0,1,0,0,0,0|3,0,0]=4 3345 B12R0.47 COCCCNC(=O)NCCSC 2708a_100150723488_100020590264 [0,1,0,0,0,0|3,0,0]=4 3346 B12R0.47 COCCCNC(=O)NCCSC 273464a_100020590264_100150723488 [0,1,0,0,0,0|3,0,0]=4 3347 B12R0.47 COCCCNC(=O)NCCSC 273464a_100150723488_100020590264 [0,1,0,0,0,0|3,0,0]=4 3348 B12R0.47 COCCCNC(=O)NCCSC 512a_100020590264_100150723488 [0,1,0,0,0,0|3,0,0]=4 3349 B12R0.47 COCCCOC(C)CCCOC 34a_200011539412_100000740836 [0,1,0,0,0,0|2,0,1]=4 3350 B12R0.47 COCCCOC(C)CCCOC 7a_200011539412_100000740836 [0,1,0,0,0,0|2,0,1]=4 3351 B12R0.47 COCCNC(=O)CCCCCO 240690a_100000209980_100102619762 [0,1,0,0,0,0|2,0,0]=3 3352 B12R0.47 COCCNC(=O)CCOCCO 1626a_100000209980_100011229844 [0,1,0,0,0,0|3,0,0]=4 3353 B12R0.47 COCCNC(=O)CCOCCO 240690a_100000209980_100011229844 [0,1,0,0,0,0|3,0,0]=4 3354 B12R0.47 COCCNC(=O)CNCCCF 2230a_100000754632_100011934791 [0,1,0,0,0,0|3,0,0]=4 3355 B12R0.47 COCCNC(=O)CNCCCF 2230a_100015189416_100000183275 [0,1,0,0,0,0|3,0,0]=4 3356 B12R0.47 COCCNC(=O)CNCCCF 34a_100015189416_100000183275 [0,1,0,0,0,0|3,0,0]=4 3357 B12R0.47 COCCNC(=O)CNCCCO 2230a_100000754632_100000230001 [0,1,0,0,0,0|3,0,0]=4 3358 B12R0.47 COCCNC(=O)CNCCSC 2230a_100000754632_100000751147 [0,1,0,0,0,0|3,0,0]=4 3359 B12R0.47 COCCNC(=O)CNCCSC 2230a_100020590264_100000183275 [0,1,0,0,0,0|3,0,0]=4 3360 B12R0.47 COCCNC(=O)COCCCBr 34a_100011217188_100000183275 [0,1,0,0,0,0|3,0,0]=4 3361 B12R0.47 COCCNC(=O)COCCCCl 34a_100000230001_100000183275 [0,1,0,0,0,0|3,0,0]=4 3362 B12R0.47 COCCNC(=O)COCCCF 34a_100000759539_100000183275 [0,1,0,0,0,0|3,0,0]=4 3363 B12R0.47 COCCNC(=O)COCCCN 34a_100000182051_100000183275 [0,1,0,0,0,0|3,0,0]=4 3364 B12R0.47 COCCNC(=O)COCCOC 1626a_100000209980_100000211095 [0,1,0,0,0,0|3,0,0]=4 3365 B12R0.47 COCCNC(=O)COCCOC 240690a_100000209980_100000211095 [0,1,0,0,0,0|3,0,0]=4 3366 B12R0.47 COCCNC(=O)COCCOC 34a_100000210237_100000183275 [0,1,0,0,0,0|3,0,0]=4 3367 B12R0.47 COCCNC(=O)COCCOC 527a_100000209980_100000211095 [0,1,0,0,0,0|3,0,0]=4 3368 B12R0.47 COCCNC(=O)COCCSC 34a_100000230434_100000183275 [0,1,0,0,0,0|3,0,0]=4 3369 B12R0.47 COCCNC(=O)COCCSC 7a_100000230434_100000183275 [0,1,0,0,0,0|3,0,0]=4 3370 B12R0.47 COCCNC(=O)CSCCCF 62a_100000183275_100011934791 [0,1,0,0,0,0|3,0,0]=4 3371 B12R0.47 COCCNC(=O)CSCCCF 62a_100011934791_100000183275 [0,1,0,0,0,0|3,0,0]=4 3372 B12R0.47 COCCNC(=O)CSCCCO 62a_100000183275_100011215043 [0,1,0,0,0,0|3,0,0]=4 3373 B12R0.47 COCCNC(=O)CSCCCO 62a_100011215043_100000183275 [0,1,0,0,0,0|3,0,0]=4 3374 B12R0.47 COCCNC(=O)CSCCOC 62a_100000183275_100000233755 [0,1,0,0,0,0|3,0,0]=4 3375 B12R0.47 COCCNC(=O)CSCCOC 62a_100000233755_100000183275 [0,1,0,0,0,0|3,0,0]=4 3376 B12R0.47 COCCNC(=O)CSCCSC 62a_100000183275_100000751147 [0,1,0,0,0,0|3,0,0]=4 3377 B12R0.47 COCCNC(=O)CSCCSC 62a_100000212216_100000183275 [0,1,0,0,0,0|3,0,0]=4 3378 B12R0.47 COCCNC(=O)NCCCCO 2708a_100000750430_100000209980 [0,1,0,0,0,0|3,0,0]=4 3379 B12R0.47 COCCNC(=O)NCCCCO 273464a_100000209980_100000750430 [0,1,0,0,0,0|3,0,0]=4 3380 B12R0.47 COCCNC(=O)NCCCCO 273464a_100000750430_100000209980 [0,1,0,0,0,0|3,0,0]=4 3381 B12R0.47 COCCNC(=O)NCCCSC 2708a_100000749238_100000209980 [0,1,0,0,0,0|3,0,0]=4 3382 B12R0.47 COCCNC(=O)NCCCSC 273464a_100000209980_100000749238 [0,1,0,0,0,0|3,0,0]=4 3383 B12R0.47 COCCNC(=O)NCCCSC 273464a_100000749238_100000209980 [0,1,0,0,0,0|3,0,0]=4 3384 B12R0.47 COCCNCC(=O)NCCOC 2230a_100000209980_100000183275 [0,1,0,0,0,0|3,0,0]=4 3385 B12R0.47 COCCNCC(=O)NCCOC 2230a_100000754632_100011201679 [0,1,0,0,0,0|3,0,0]=4 3386 B12R0.47 COCCNCC(=O)OCCOC 2230a_100000209980_200000040189 [0,1,0,0,0,0|2,0,0]=3 3387 B12R0.47 COCCNNC(=O)CCCSC 22a_100000741390_100000173376 [0,1,0,0,0,0|3,0,0]=4 3388 B12R0.47 COCCOC(=O)CNCCCF 2230a_100015189416_200000040189 [0,1,0,0,0,0|2,0,0]=3 3389 B12R0.47 COCCOC(=O)CNCCCF 34a_100015189416_200000040189 [0,1,0,0,0,0|2,0,0]=3 3390 B12R0.47 COCCOC(=O)CNCCSC 2230a_100020590264_200000040189 [0,1,0,0,0,0|2,0,0]=3 3391 B12R0.47 COCCOC(=O)COCCCBr 34a_100011217188_200000040189 [0,1,0,0,0,0|2,0,0]=3 3392 B12R0.47 COCCOC(=O)COCCCCl 34a_100000230001_200000040189 [0,1,0,0,0,0|2,0,0]=3 3393 B12R0.47 COCCOC(=O)COCCCF 34a_100000759539_200000040189 [0,1,0,0,0,0|2,0,0]=3 3394 B12R0.47 COCCOC(=O)COCCCN 34a_100000182051_200000040189 [0,1,0,0,0,0|2,0,0]=3 3395 B12R0.47 COCCOC(=O)COCCON 34a_100000700252_200000040189 [0,1,0,0,0,0|3,0,0]=4 3396 B12R0.47 COCCOC(=O)COCCSC 34a_100000230434_200000040189 [0,1,0,0,0,0|2,0,0]=3 3397 B12R0.47 COCCOC(=O)COCCSC 7a_100000230434_200000040189 [0,1,0,0,0,0|2,0,0]=3 3398 B12R0.47 COCCOC(=O)CSCCC#N 62a_100011215226_200000040189 [0,1,0,0,0,0|2,0,1]=4 3399 B12R0.47 COCCOC(=O)CSCCC#N 62a_200000040189_100011215226 [0,1,0,0,0,0|2,0,1]=4 3400 B12R0.47 COCCOC(=O)CSCCCF 62a_100011934791_200000040189 [0,1,0,0,0,0|2,0,0]=3 3401 B12R0.47 COCCOC(=O)CSCCCF 62a_200000040189_100011934791 [0,1,0,0,0,0|2,0,0]=3 3402 B12R0.47 COCCOC(=O)CSCCCO 62a_100011215043_200000040189 [0,1,0,0,0,0|2,0,0]=3 3403 B12R0.47 COCCOC(=O)CSCCCO 62a_200000040189_100011215043 [0,1,0,0,0,0|2,0,0]=3 3404 B12R0.47 COCCOC(=O)CSCCOC 62a_100000233755_200000040189 [0,1,0,0,0,0|2,0,0]=3 3405 B12R0.47 COCCOC(=O)CSCCOC 62a_200000040189_100000233755 [0,1,0,0,0,0|2,0,0]=3 3406 B12R0.47 COCCOC(=O)CSCCSC 62a_100000212216_200000040189 [0,1,0,0,0,0|2,0,0]=3 3407 B12R0.47 COCCOC(=O)CSCCSC 62a_200000040189_100000751147 [0,1,0,0,0,0|2,0,0]=3 3408 B12R0.47 COCCOCC(=O)CCCC#N 1458a_100000211095_100000211468 [0,1,0,0,0,0|2,0,1]=4 3409 B12R0.47 COCCOCC(=O)CCCCF 1458a_100000211095_100000729493 [0,1,0,0,0,0|2,0,0]=3 3410 B12R0.47 COCCOCC(=O)CCCCO 1458a_100000211095_100000210776 [0,1,0,0,0,0|2,0,0]=3 3411 B12R0.47 COCCOCC(=O)NCCCF 11a_100015189416_100000211095 [0,1,0,0,0,0|3,0,0]=4 3412 B12R0.47 COCCOCC(=O)NCCCF 1626a_100015189416_100000211095 [0,1,0,0,0,0|3,0,0]=4 3413 B12R0.47 COCCOCC(=O)NCCCF 240690a_100015189416_100000211095 [0,1,0,0,0,0|3,0,0]=4 3414 B12R0.47 COCCOCC(=O)NCCCF 527a_100015189416_100000211095 [0,1,0,0,0,0|3,0,0]=4 3415 B12R0.47 COCCOCC(=O)NCCCO 240690a_100000182051_100000211095 [0,1,0,0,0,0|3,0,0]=4 3416 B12R0.47 COCCOCC(=O)NCCCO 527a_100000182051_100000211095 [0,1,0,0,0,0|3,0,0]=4 3417 B12R0.47 COCCOCC(=O)NCCSC 11a_100020590264_100000211095 [0,1,0,0,0,0|3,0,0]=4 3418 B12R0.47 COCCOCC(=O)NCCSC 1626a_100020590264_100000211095 [0,1,0,0,0,0|3,0,0]=4 3419 B12R0.47 COCCOCC(=O)NCCSC 240690a_100020590264_100000211095 [0,1,0,0,0,0|3,0,0]=4 3420 B12R0.47 COCCOCC(=O)NCCSC 527a_100020590264_100000211095 [0,1,0,0,0,0|3,0,0]=4 3421 B12R0.47 COCCOCC(=O)OCCOC 34a_100000210237_200000040189 [0,1,0,0,0,0|2,0,0]=3 3422 B12R0.47 CSCCCC(=O)CCCCC#N 1458a_100000173376_100000211819 [0,1,0,0,0,0|2,0,1]=4 3423 B12R0.47 CSCCCC(=O)CCCCCF 1458a_100000173376_100000729378 [0,1,0,0,0,0|2,0,0]=3 3424 B12R0.47 CSCCCC(=O)CCCCCO 1458a_100000173376_100000746330 [0,1,0,0,0,0|2,0,0]=3 3425 B12R0.47 CSCCCC(=O)CCOCCO 1458a_100000173376_100011215305 [0,1,0,0,0,0|3,0,0]=4 3426 B12R0.47 CSCCCC(=O)NCCCCO 240690a_100000750430_100000173376 [0,1,0,0,0,0|2,0,0]=3 3427 B12R0.47 CSCCCC(=O)NCCCCO 527a_100000750430_100000173376 [0,1,0,0,0,0|2,0,0]=3 3428 B12R0.47 CSCCCNC(=O)CCCC#N 11a_100000749238_100000075515 [0,1,0,0,0,0|2,0,1]=4 3429 B12R0.47 CSCCCNC(=O)CCCC#N 1626a_100000749238_100000075515 [0,1,0,0,0,0|2,0,1]=4 3430 B12R0.47 CSCCCNC(=O)CCCC#N 240690a_100000749238_100000075515 [0,1,0,0,0,0|2,0,1]=4 3431 B12R0.47 CSCCCNC(=O)CCCC#N 527a_100000749238_100000075515 [0,1,0,0,0,0|2,0,1]=4 3432 B12R0.47 CSCCCNC(=O)CCCCO 1626a_100000749238_100000695505 [0,1,0,0,0,0|2,0,0]=3 3433 B12R0.47 CSCCCNC(=O)CCCSC 11a_100000749238_100000173376 [0,1,0,0,0,0|2,0,0]=3 3434 B12R0.47 CSCCCNC(=O)CCCSC 1626a_100000749238_100000173376 [0,1,0,0,0,0|2,0,0]=3 3435 B12R0.47 CSCCCNC(=O)CCCSC 240690a_100000749238_100000173376 [0,1,0,0,0,0|2,0,0]=3 3436 B12R0.47 CSCCCNC(=O)CCCSC 527a_100000749238_100000173376 [0,1,0,0,0,0|2,0,0]=3 3437 B12R0.47 CSCCCNC(=O)COCCO 1626a_100000749238_100000708028 [0,1,0,0,0,0|3,0,0]=4 3438 B12R0.47 CSCCCNC(=O)COCCO 240690a_100000749238_100000708028 [0,1,0,0,0,0|3,0,0]=4 3439 B12R0.47 CSCCCNC(=O)NCCCF 2708a_100000749238_100015189416 [0,1,0,0,0,0|3,0,0]=4 3440 B12R0.47 CSCCCNC(=O)NCCCF 2708a_100015189416_100000749238 [0,1,0,0,0,0|3,0,0]=4 3441 B12R0.47 CSCCCNC(=O)NCCCF 273464a_100000749238_100015189416 [0,1,0,0,0,0|3,0,0]=4 3442 B12R0.47 CSCCCNC(=O)NCCCF 273464a_100015189416_100000749238 [0,1,0,0,0,0|3,0,0]=4 3443 B12R0.47 CSCCCNC(=O)NCCCF 512a_100000749238_100015189416 [0,1,0,0,0,0|3,0,0]=4 3444 B12R0.47 CSCCCNC(=O)NCCCF 512a_100015189416_100000749238 [0,1,0,0,0,0|3,0,0]=4 3445 B12R0.47 CSCCCNC(=O)NCCCO 2708a_100000749238_100000182051 [0,1,0,0,0,0|3,0,0]=4 3446 B12R0.47 CSCCCNC(=O)NCCCO 273464a_100000182051_100000749238 [0,1,0,0,0,0|3,0,0]=4 3447 B12R0.47 CSCCCNC(=O)NCCCO 273464a_100000749238_100000182051 [0,1,0,0,0,0|3,0,0]=4 3448 B12R0.47 CSCCCNC(=O)NCCCO 512a_100000749238_100000182051 [0,1,0,0,0,0|3,0,0]=4 3449 B12R0.47 CSCCCNC(=O)NCCSC 2708a_100000749238_100020590264 [0,1,0,0,0,0|3,0,0]=4 3450 B12R0.47 CSCCCNC(=O)NCCSC 2708a_100020590264_100000749238 [0,1,0,0,0,0|3,0,0]=4 3451 B12R0.47 CSCCCNC(=O)NCCSC 273464a_100000749238_100020590264 [0,1,0,0,0,0|3,0,0]=4 3452 B12R0.47 CSCCCNC(=O)NCCSC 273464a_100020590264_100000749238 [0,1,0,0,0,0|3,0,0]=4 3453 B12R0.47 CSCCCNC(=O)NCCSC 512a_100000749238_100020590264 [0,1,0,0,0,0|3,0,0]=4 3454 B12R0.47 CSCCCNC(=O)NCCSC 512a_100020590264_100000749238 [0,1,0,0,0,0|3,0,0]=4 3455 B12R0.47 CSCCNC(=O)CCCCCO 240690a_100020590264_100102619762 [0,1,0,0,0,0|2,0,0]=3 3456 B12R0.47 CSCCNC(=O)CCOCCO 1626a_100020590264_100011229844 [0,1,0,0,0,0|3,0,0]=4 3457 B12R0.47 CSCCNC(=O)CCOCCO 240690a_100020590264_100011229844 [0,1,0,0,0,0|3,0,0]=4 3458 B12R0.47 CSCCNC(=O)NCCCCO 2708a_100000750430_100020590264 [0,1,0,0,0,0|3,0,0]=4 3459 B12R0.47 CSCCNC(=O)NCCCCO 2708a_100020590264_100000750430 [0,1,0,0,0,0|3,0,0]=4 3460 B12R0.47 CSCCNC(=O)NCCCCO 273464a_100000750430_100020590264 [0,1,0,0,0,0|3,0,0]=4 3461 B12R0.47 CSCCNC(=O)NCCCCO 273464a_100020590264_100000750430 [0,1,0,0,0,0|3,0,0]=4 3462 B12R0.47 CSCCNC(=O)NCCCCO 512a_100000750430_100020590264 [0,1,0,0,0,0|3,0,0]=4 3463 B12R0.47 CSCCNC(=O)NCCCCO 512a_100020590264_100000750430 [0,1,0,0,0,0|3,0,0]=4 3464 B12R0.47 N#CCCCC(=O)CCCCCF 1458a_100000075515_100000729378 [0,1,0,0,0,0|2,0,1]=4 3465 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100000075515_100000746330 [0,1,0,0,0,0|2,0,1]=4 3466 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100102619762_100000211468 [0,1,0,0,0,0|2,0,1]=4 3467 B12R0.47 N#CCCCC(=O)NCCCCO 240690a_100000750430_100000075515 [0,1,0,0,0,0|2,0,1]=4 3468 B12R0.47 N#CCCCC(=O)NCCCCO 527a_100000750430_100000075515 [0,1,0,0,0,0|2,0,1]=4 3469 B12R0.47 N#CCCCCC(=O)CCCCO 1458a_100000695505_100000211819 [0,1,0,0,0,0|2,0,1]=4 3470 B12R0.47 N#CCCNC(=O)CCCCCO 240690a_100000720768_100102619762 [0,1,0,0,0,0|2,0,1]=4 3471 B12R0.47 O=C(CCCCCF)COCCO 1458a_100000708028_100000729378 [0,1,0,0,0,0|3,0,0]=4 3472 B12R0.47 O=C(CCCCCO)COCCO 1458a_100000708028_100000746330 [0,1,0,0,0,0|3,0,0]=4 3473 B12R0.47 O=C(CCCCCO)NCCCF 240690a_100015189416_100102619762 [0,1,0,0,0,0|2,0,0]=3 3474 B12R0.47 O=C(CCCCCO)NCCCO 240690a_100000182051_100102619762 [0,1,0,0,0,0|2,0,0]=3 3475 B12R0.47 O=C(CCCCCO)NNCCO 22a_100000210001_100102619762 [0,1,0,0,0,0|3,0,0]=4 3476 B12R0.47 O=C(CCCCF)CCCCCO 1458a_100102619762_100000729493 [0,1,0,0,0,0|2,0,0]=3 3477 B12R0.47 O=C(CCCCF)CCOCCO 1458a_100011229844_100000729493 [0,1,0,0,0,0|3,0,0]=4 3478 B12R0.47 O=C(CCCCO)CCCCCF 1458a_100000695505_100000729378 [0,1,0,0,0,0|2,0,0]=3 3479 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100000695505_100000746330 [0,1,0,0,0,0|2,0,0]=3 3480 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100102619762_100000210776 [0,1,0,0,0,0|2,0,0]=3 3481 B12R0.47 O=C(CCCCO)CCOCCO 1458a_100000695505_100011215305 [0,1,0,0,0,0|3,0,0]=4 3482 B12R0.47 O=C(CCCCO)CCOCCO 1458a_100011229844_100000210776 [0,1,0,0,0,0|3,0,0]=4 3483 B12R0.47 O=C(CCOCCO)NCCCF 1626a_100015189416_100011229844 [0,1,0,0,0,0|3,0,0]=4 3484 B12R0.47 O=C(CCOCCO)NCCCF 240690a_100015189416_100011229844 [0,1,0,0,0,0|3,0,0]=4 3485 B12R0.47 O=C(CCOCCO)NCCCO 240690a_100000182051_100011229844 [0,1,0,0,0,0|3,0,0]=4 3486 B12R0.47 O=C(COCCO)NCCCCO 240690a_100000750430_100000708028 [0,1,0,0,0,0|3,0,0]=4 3487 B12R0.47 O=C(NCCCF)NCCCCO 2708a_100000750430_100015189416 [0,1,0,0,0,0|3,0,0]=4 3488 B12R0.47 O=C(NCCCF)NCCCCO 2708a_100015189416_100000750430 [0,1,0,0,0,0|3,0,0]=4 3489 B12R0.47 O=C(NCCCF)NCCCCO 273464a_100000750430_100015189416 [0,1,0,0,0,0|3,0,0]=4 3490 B12R0.47 O=C(NCCCF)NCCCCO 273464a_100015189416_100000750430 [0,1,0,0,0,0|3,0,0]=4 3491 B12R0.47 O=C(NCCCF)NCCCCO 512a_100000750430_100015189416 [0,1,0,0,0,0|3,0,0]=4 3492 B12R0.47 O=C(NCCCF)NCCCCO 512a_100015189416_100000750430 [0,1,0,0,0,0|3,0,0]=4 3493 B12R0.47 O=C(NCCCO)NCCCCO 2708a_100000750430_100000182051 [0,1,0,0,0,0|3,0,0]=4 3494 B12R0.47 O=C(NCCCO)NCCCCO 273464a_100000182051_100000750430 [0,1,0,0,0,0|3,0,0]=4 3495 B12R0.47 O=C(NCCCO)NCCCCO 273464a_100000750430_100000182051 [0,1,0,0,0,0|3,0,0]=4 3496 B12R0.47 O=C(NCCCO)NCCCCO 512a_100000750430_100000182051 [0,1,0,0,0,0|3,0,0]=4 3497 B12R0.117 C#CC(CCCCC)OCCCC 34a_100011216489_100000210210 [0,1,0,0,0,0|1,0,1]=3 3498 B12R0.117 C#CC(CCCCC)OCCCC 7a_100011216489_100000210211 [0,1,0,0,0,0|1,0,1]=3 3499 B12R0.117 C#CC(CCCCC)OCCCF 34a_100011216489_100011934791 [0,1,0,0,0,0|2,0,1]=4 3500 B12R0.117 C#CC(CCCCC)OCCCF 7a_100011216489_100011934791 [0,1,0,0,0,0|2,0,1]=4 3501 B12R0.117 C#CC(CCCCC)OCCCO 34a_100011216489_100000230001 [0,1,0,0,0,0|2,0,1]=4 3502 B12R0.117 C#CC(CCCCC)OCCCO 7a_100011216489_100011215043 [0,1,0,0,0,0|2,0,1]=4 3503 B12R0.117 C#CC(CCCCC)OCCOC 34a_100011216489_100011201679 [0,1,0,0,0,0|2,0,1]=4 3504 B12R0.117 C#CC(CCCCC)OCCOC 7a_100011216489_100000233755 [0,1,0,0,0,0|2,0,1]=4 3505 B12R0.117 C#CC(CCCCC)OCCSC 34a_100011216489_100000212216 [0,1,0,0,0,0|2,0,1]=4 3506 B12R0.117 C#CC(CCCCC)OCCSC 7a_100011216489_100000212216 [0,1,0,0,0,0|2,0,1]=4 3507 B12R0.117 C=CC(=NNCCC)CCCCC 4a_100000740057_100011217817 [0,1,0,0,0,0|3,0,0]=4 3508 B12R0.117 C=CC(CCCCC)OCCCC 34a_100011216863_100000210210 [0,1,0,0,0,0|1,0,1]=3 3509 B12R0.117 C=CC(CCCCC)OCCCC 7a_100011216863_100000210211 [0,1,0,0,0,0|1,0,1]=3 3510 B12R0.117 C=CC(CCCCC)OCCCF 34a_100011216863_100011934791 [0,1,0,0,0,0|2,0,1]=4 3511 B12R0.117 C=CC(CCCCC)OCCCF 7a_100011216863_100011934791 [0,1,0,0,0,0|2,0,1]=4 3512 B12R0.117 C=CC(CCCCC)OCCCO 34a_100011216863_100000230001 [0,1,0,0,0,0|2,0,1]=4 3513 B12R0.117 C=CC(CCCCC)OCCCO 7a_100011216863_100011215043 [0,1,0,0,0,0|2,0,1]=4 3514 B12R0.117 C=CC(CCCCC)OCCOC 34a_100011216863_100011201679 [0,1,0,0,0,0|2,0,1]=4 3515 B12R0.117 C=CC(CCCCC)OCCOC 7a_100011216863_100000233755 [0,1,0,0,0,0|2,0,1]=4 3516 B12R0.117 C=CC(CCCCC)OCCSC 34a_100011216863_100000212216 [0,1,0,0,0,0|2,0,1]=4 3517 B12R0.117 C=CC(CCCCC)OCCSC 7a_100011216863_100000212216 [0,1,0,0,0,0|2,0,1]=4 3518 B12R0.117 CCCCCC(=NNCCC)CC 4a_100000740057_100011215316 [0,1,0,0,0,0|3,0,0]=4 3519 B12R0.117 CCCCCC(CC)NCCCC 270004a_100000102301_100011215316 [0,1,0,0,0,0|2,0,1]=4 3520 B12R0.117 CCCCCC(CC)OCCCC 34a_100011215405_100000210210 [0,1,0,0,0,0|1,0,1]=3 3521 B12R0.117 CCCCCC(CC)OCCCC 7a_100011215405_100000210211 [0,1,0,0,0,0|1,0,1]=3 3522 B12R0.117 CCCCCC(CC)OCCCF 34a_100011215405_100011934791 [0,1,0,0,0,0|2,0,1]=4 3523 B12R0.117 CCCCCC(CC)OCCCF 7a_100011215405_100011934791 [0,1,0,0,0,0|2,0,1]=4 3524 B12R0.117 CCCCCC(CC)OCCCO 34a_100011215405_100000230001 [0,1,0,0,0,0|2,0,1]=4 3525 B12R0.117 CCCCCC(CC)OCCCO 7a_100011215405_100011215043 [0,1,0,0,0,0|2,0,1]=4 3526 B12R0.117 CCCCCC(CC)OCCOC 34a_100011215405_100011201679 [0,1,0,0,0,0|2,0,1]=4 3527 B12R0.117 CCCCCC(CC)OCCOC 7a_100011215405_100000233755 [0,1,0,0,0,0|2,0,1]=4 3528 B12R0.117 CCCCCC(CC)OCCSC 34a_100011215405_100000212216 [0,1,0,0,0,0|2,0,1]=4 3529 B12R0.117 CCCCCC(CC)OCCSC 7a_100011215405_100000212216 [0,1,0,0,0,0|2,0,1]=4 3530 B12R0.117 CCCCCC(CCCCC)NC 2230a_100000698210_200000210301 [0,1,0,0,0,0|2,0,1]=4 3531 B12R0.117 CCCCCC(CCCCC)NC 270004a_106832991635_100000211668 [0,1,0,0,0,0|2,0,1]=4 3532 B12R0.117 CCCCCC(CCCCC)NC 34a_100000698210_200000210301 [0,1,0,0,0,0|2,0,1]=4 3533 B12R0.117 CCCCCC(CCCCC)N[13CH3] 2230a_100000698210_200025704644 [0,1,0,0,0,0|2,0,1]=4 3534 B12R0.117 CCCCCC(CCCCC)N[13CH3] 34a_100000698210_200025704644 [0,1,0,0,0,0|2,0,1]=4 3535 B12R0.117 CCCCCC(CCCCC)OC 34a_200011216036_200000210301 [0,1,0,0,0,0|1,0,2]=4 3536 B12R0.117 CCCCCC(CCCCC)OC 7a_200011216036_200000210301 [0,1,0,0,0,0|1,0,2]=4 3537 B12R0.117 CCCCCC(CCCCC)O[13CH3] 34a_200011216036_200025704644 [0,1,0,0,0,0|1,0,2]=4 3538 B12R0.117 CCCCCC(CCCCC)O[13CH3] 7a_200011216036_200025704644 [0,1,0,0,0,0|1,0,2]=4 3539 B12R0.117 CCCCCN(CC)CCCCC 2230a_100000210580_100000210202 [0,1,0,0,0,0|3,0,0]=4 3540 B12R0.117 CCCCCN(CC)CCCCC 269982a_100000210580_100000204670 [0,1,0,0,0,0|3,0,0]=4 3541 B12R0.117 CCCCCN(CF)CCCCC 269982a_100000210580_100015361967 [0,1,0,0,0,0|3,0,0]=4 3542 B12R0.142 C#CC(C)NCC(=O)OCCCC 2230a_100000707721_100000211628 [0,1,0,0,0,0|1,0,2]=4 3543 B12R0.142 C#CC(C)NCC(=O)OCCCC 34a_100000707721_100000211628 [0,1,0,0,0,0|1,0,2]=4 3544 B12R0.142 C#CC(C)SCC(=O)OCCCC 62a_200000035995_100000211628 [0,1,0,0,0,0|1,0,2]=4 3545 B12R0.142 C#CCCCC(=O)CCC(C)CC 1458a_100000701222_100000731252 [0,1,0,0,0,0|1,0,2]=4 3546 B12R0.142 C#CCCCC(=O)NCC(C)CC 11a_100020588543_100000690238 [0,1,0,0,0,0|1,0,2]=4 3547 B12R0.142 C#CCCCC(=O)NCC(C)CC 1626a_100020588543_100000690238 [0,1,0,0,0,0|1,0,2]=4 3548 B12R0.142 C#CCCCC(=O)NCC(C)CC 240690a_100020588543_100000690238 [0,1,0,0,0,0|1,0,2]=4 3549 B12R0.142 C#CCCCC(=O)NCC(C)CC 527a_100020588543_100000690238 [0,1,0,0,0,0|1,0,2]=4 3550 B12R0.142 C#CCCCC(=O)NCC(O)CC 11a_100011218483_100000690238 [0,1,0,0,0,0|1,0,2]=4 3551 B12R0.142 C#CCCCC(=O)NCC(O)CC 240690a_100011218483_100000690238 [0,1,0,0,0,0|1,0,2]=4 3552 B12R0.142 C#CCCCC(=O)NCC(O)CC 527a_100011218483_100000690238 [0,1,0,0,0,0|1,0,2]=4 3553 B12R0.142 C#CCCNC(=O)CCC(C)CC 11a_100000755551_100000701222 [0,1,0,0,0,0|1,0,2]=4 3554 B12R0.142 C#CCCNC(=O)CCC(C)CC 1626a_100000755551_100000701222 [0,1,0,0,0,0|1,0,2]=4 3555 B12R0.142 C#CCCNC(=O)CCC(C)CC 240690a_100000755551_100000701222 [0,1,0,0,0,0|1,0,2]=4 3556 B12R0.142 C#CCCNC(=O)CCC(C)CC 527a_100000755551_100000701222 [0,1,0,0,0,0|1,0,2]=4 3557 B12R0.142 C#CCCNC(=O)CCC(O)CC 1626a_100000755551_203496584001 [0,1,0,0,0,0|1,0,2]=4 3558 B12R0.142 C#CCCNC(=O)CCC(O)CC 240690a_100000755551_203496584001 [0,1,0,0,0,0|1,0,2]=4 3559 B12R0.142 C#C[C@@H](C)OCC(=O)OCCCC 34a_100009815206_100000211628 [0,1,0,0,0,0|1,0,2]=4 3560 B12R0.142 C#C[C@@H](C)OCC(=O)OCCCC 7a_100009815206_100000211628 [0,1,0,0,0,0|1,0,2]=4 3561 B12R0.142 C=CC(C)OCC(=O)OCCCC 34a_100000695699_100000211628 [0,1,0,0,0,0|1,0,2]=4 3562 B12R0.142 C=CC(C)SCC(=O)OCCCC 62a_100011215867_100000211628 [0,1,0,0,0,0|1,0,2]=4 3563 B12R0.142 C=CCCCC(=O)CCC(C)CC 1458a_100000701222_100000757094 [0,1,0,0,0,0|1,0,2]=4 3564 B12R0.142 C=CCCCC(=O)NCC(C)CC 11a_100020588543_100000766728 [0,1,0,0,0,0|1,0,2]=4 3565 B12R0.142 C=CCCCC(=O)NCC(C)CC 1626a_100020588543_100000766728 [0,1,0,0,0,0|1,0,2]=4 3566 B12R0.142 C=CCCCC(=O)NCC(C)CC 240690a_100020588543_100000766728 [0,1,0,0,0,0|1,0,2]=4 3567 B12R0.142 C=CCCCC(=O)NCC(C)CC 527a_100020588543_100000766728 [0,1,0,0,0,0|1,0,2]=4 3568 B12R0.142 C=CCCCC(=O)NCC(O)CC 11a_100011218483_100000766728 [0,1,0,0,0,0|1,0,2]=4 3569 B12R0.142 C=CCCCC(=O)NCC(O)CC 240690a_100011218483_100000766728 [0,1,0,0,0,0|1,0,2]=4 3570 B12R0.142 C=CCCCC(=O)NCC(O)CC 527a_100011218483_100000766728 [0,1,0,0,0,0|1,0,2]=4 3571 B12R0.142 C=CCCNC(=O)CCC(C)CC 11a_100015191253_100000701222 [0,1,0,0,0,0|1,0,2]=4 3572 B12R0.142 C=CCCNC(=O)CCC(C)CC 1626a_100015191253_100000701222 [0,1,0,0,0,0|1,0,2]=4 3573 B12R0.142 C=CCCNC(=O)CCC(C)CC 240690a_100015191253_100000701222 [0,1,0,0,0,0|1,0,2]=4 3574 B12R0.142 C=CCCNC(=O)CCC(C)CC 527a_100015191253_100000701222 [0,1,0,0,0,0|1,0,2]=4 3575 B12R0.142 C=CCCNC(=O)CCC(O)CC 1626a_100015191253_203496584001 [0,1,0,0,0,0|1,0,2]=4 3576 B12R0.142 C=CCCNC(=O)CCC(O)CC 240690a_100015191253_203496584001 [0,1,0,0,0,0|1,0,2]=4 3577 B12R0.142 CC#CCNC(=O)CCC(C)CC 11a_100000685387_100000701222 [0,1,0,0,0,0|1,0,2]=4 3578 B12R0.142 CC#CCNC(=O)CCC(C)CC 1626a_100000685387_100000701222 [0,1,0,0,0,0|1,0,2]=4 3579 B12R0.142 CC#CCNC(=O)CCC(C)CC 527a_100000685387_100000701222 [0,1,0,0,0,0|1,0,2]=4 3580 B12R0.142 CC#CCNC(=O)CCC(O)CC 1626a_100000685387_203496584001 [0,1,0,0,0,0|1,0,2]=4 3581 B12R0.142 CC/C=C/CC(=O)NCC(C)CC 11a_100020588543_100016274230 [0,1,0,0,0,0|1,0,2]=4 3582 B12R0.142 CC/C=C/CC(=O)NCC(C)CC 1626a_100020588543_100016274230 [0,1,0,0,0,0|1,0,2]=4 3583 B12R0.142 CC/C=C/CC(=O)NCC(C)CC 240690a_100020588543_100016274230 [0,1,0,0,0,0|1,0,2]=4 3584 B12R0.142 CC/C=C/CC(=O)NCC(C)CC 527a_100020588543_100016274230 [0,1,0,0,0,0|1,0,2]=4 3585 B12R0.142 CC/C=C/CC(=O)NCC(O)CC 11a_100011218483_100016274230 [0,1,0,0,0,0|1,0,2]=4 3586 B12R0.142 CC/C=C/CC(=O)NCC(O)CC 240690a_100011218483_100016274230 [0,1,0,0,0,0|1,0,2]=4 3587 B12R0.142 CC/C=C/CC(=O)NCC(O)CC 527a_100011218483_100016274230 [0,1,0,0,0,0|1,0,2]=4 3588 B12R0.142 CC/C=C\CC(=O)CCC(C)CC 1458a_100000701222_100103147603 [0,1,0,0,0,0|1,0,2]=4 3589 B12R0.142 CCC#CCC(=O)CCC(C)CC 1458a_100000701222_100009813939 [0,1,0,0,0,0|1,0,2]=4 3590 B12R0.142 CCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210202 [0,1,0,0,0,0|1,0,2]=4 3591 B12R0.142 CCC(C)CCC(=O)CCCC#N 1458a_100000701222_100000211468 [0,1,0,0,0,0|2,0,1]=4 3592 B12R0.142 CCC(C)CCC(=O)CCCCF 1458a_100000701222_100000729493 [0,1,0,0,0,0|2,0,0]=3 3593 B12R0.142 CCC(C)CCC(=O)CCCCO 1458a_100000701222_100000210776 [0,1,0,0,0,0|2,0,0]=3 3594 B12R0.142 CCC(C)CCC(=O)CCCOC 1458a_100000701222_100000740836 [0,1,0,0,0,0|2,0,0]=3 3595 B12R0.142 CCC(C)CCC(=O)NCCC#N 11a_100000720768_100000701222 [0,1,0,0,0,0|2,0,1]=4 3596 B12R0.142 CCC(C)CCC(=O)NCCC#N 1626a_100000720768_100000701222 [0,1,0,0,0,0|2,0,1]=4 3597 B12R0.142 CCC(C)CCC(=O)NCCC#N 240690a_100000720768_100000701222 [0,1,0,0,0,0|2,0,1]=4 3598 B12R0.142 CCC(C)CCC(=O)NCCC#N 527a_100000720768_100000701222 [0,1,0,0,0,0|2,0,1]=4 3599 B12R0.142 CCC(C)CCC(=O)NCCCF 11a_100015189416_100000701222 [0,1,0,0,0,0|2,0,0]=3 3600 B12R0.142 CCC(C)CCC(=O)NCCCF 1626a_100015189416_100000701222 [0,1,0,0,0,0|2,0,0]=3 3601 B12R0.142 CCC(C)CCC(=O)NCCCF 240690a_100015189416_100000701222 [0,1,0,0,0,0|2,0,0]=3 3602 B12R0.142 CCC(C)CCC(=O)NCCCF 527a_100015189416_100000701222 [0,1,0,0,0,0|2,0,0]=3 3603 B12R0.142 CCC(C)CCC(=O)NCCCO 240690a_100000182051_100000701222 [0,1,0,0,0,0|2,0,0]=3 3604 B12R0.142 CCC(C)CCC(=O)NCCCO 527a_100000182051_100000701222 [0,1,0,0,0,0|2,0,0]=3 3605 B12R0.142 CCC(C)CCC(=O)NCCOC 1626a_100000209980_100000701222 [0,1,0,0,0,0|2,0,0]=3 3606 B12R0.142 CCC(C)CCC(=O)NCCOC 240690a_100000209980_100000701222 [0,1,0,0,0,0|2,0,0]=3 3607 B12R0.142 CCC(C)CCC(=O)NCCOC 527a_100000209980_100000701222 [0,1,0,0,0,0|2,0,0]=3 3608 B12R0.142 CCC(C)CCC(=O)NCCSC 11a_100020590264_100000701222 [0,1,0,0,0,0|2,0,0]=3 3609 B12R0.142 CCC(C)CCC(=O)NCCSC 1626a_100020590264_100000701222 [0,1,0,0,0,0|2,0,0]=3 3610 B12R0.142 CCC(C)CCC(=O)NCCSC 240690a_100020590264_100000701222 [0,1,0,0,0,0|2,0,0]=3 3611 B12R0.142 CCC(C)CCC(=O)NCCSC 527a_100020590264_100000701222 [0,1,0,0,0,0|2,0,0]=3 3612 B12R0.142 CCC(C)CCC(=O)NNCCO 22a_100000210001_100000701222 [0,1,0,0,0,0|3,0,0]=4 3613 B12R0.142 CCC(C)CCC(C)OCCCF 7a_200011216552_100011934791 [0,1,0,0,0,0|2,0,1]=4 3614 B12R0.142 CCC(C)CCC(C)OCCCO 7a_200011216552_100011215043 [0,1,0,0,0,0|2,0,1]=4 3615 B12R0.142 CCC(C)CCC(C)OCCOC 7a_200011216552_100000233755 [0,1,0,0,0,0|2,0,1]=4 3616 B12R0.142 CCC(C)CCC(C)OCCSC 7a_200011216552_100000212216 [0,1,0,0,0,0|2,0,1]=4 3617 B12R0.142 CCC(C)CNC(=O)CCCC#N 11a_100020588543_100000075515 [0,1,0,0,0,0|2,0,1]=4 3618 B12R0.142 CCC(C)CNC(=O)CCCC#N 1626a_100020588543_100000075515 [0,1,0,0,0,0|2,0,1]=4 3619 B12R0.142 CCC(C)CNC(=O)CCCC#N 240690a_100020588543_100000075515 [0,1,0,0,0,0|2,0,1]=4 3620 B12R0.142 CCC(C)CNC(=O)CCCC#N 527a_100020588543_100000075515 [0,1,0,0,0,0|2,0,1]=4 3621 B12R0.142 CCC(C)CNC(=O)CCCCO 1626a_100020588543_100000695505 [0,1,0,0,0,0|2,0,0]=3 3622 B12R0.142 CCC(C)CNC(=O)CCCOC 11a_100020588543_100000741012 [0,1,0,0,0,0|2,0,0]=3 3623 B12R0.142 CCC(C)CNC(=O)CCCOC 1626a_100020588543_100000741012 [0,1,0,0,0,0|2,0,0]=3 3624 B12R0.142 CCC(C)CNC(=O)CCCOC 240690a_100020588543_100000741012 [0,1,0,0,0,0|2,0,0]=3 3625 B12R0.142 CCC(C)CNC(=O)CCCOC 527a_100020588543_100000741012 [0,1,0,0,0,0|2,0,0]=3 3626 B12R0.142 CCC(C)CNC(=O)CCCSC 11a_100020588543_100000173376 [0,1,0,0,0,0|2,0,0]=3 3627 B12R0.142 CCC(C)CNC(=O)CCCSC 1626a_100020588543_100000173376 [0,1,0,0,0,0|2,0,0]=3 3628 B12R0.142 CCC(C)CNC(=O)CCCSC 240690a_100020588543_100000173376 [0,1,0,0,0,0|2,0,0]=3 3629 B12R0.142 CCC(C)CNC(=O)CCCSC 527a_100020588543_100000173376 [0,1,0,0,0,0|2,0,0]=3 3630 B12R0.142 CCC(C)CNC(=O)COCCO 1626a_100020588543_100000708028 [0,1,0,0,0,0|3,0,0]=4 3631 B12R0.142 CCC(C)CNC(=O)COCCO 240690a_100020588543_100000708028 [0,1,0,0,0,0|3,0,0]=4 3632 B12R0.142 CCC(C)CNC(=O)NCCCF 2708a_100015189416_100020588543 [0,1,0,0,0,0|3,0,0]=4 3633 B12R0.142 CCC(C)CNC(=O)NCCCF 2708a_100020588543_100015189416 [0,1,0,0,0,0|3,0,0]=4 3634 B12R0.142 CCC(C)CNC(=O)NCCCF 273464a_100015189416_100020588543 [0,1,0,0,0,0|3,0,0]=4 3635 B12R0.142 CCC(C)CNC(=O)NCCCF 273464a_100020588543_100015189416 [0,1,0,0,0,0|3,0,0]=4 3636 B12R0.142 CCC(C)CNC(=O)NCCCF 512a_100015189416_100020588543 [0,1,0,0,0,0|3,0,0]=4 3637 B12R0.142 CCC(C)CNC(=O)NCCCF 512a_100020588543_100015189416 [0,1,0,0,0,0|3,0,0]=4 3638 B12R0.142 CCC(C)CNC(=O)NCCCO 2708a_100020588543_100000182051 [0,1,0,0,0,0|3,0,0]=4 3639 B12R0.142 CCC(C)CNC(=O)NCCCO 273464a_100000182051_100020588543 [0,1,0,0,0,0|3,0,0]=4 3640 B12R0.142 CCC(C)CNC(=O)NCCCO 273464a_100020588543_100000182051 [0,1,0,0,0,0|3,0,0]=4 3641 B12R0.142 CCC(C)CNC(=O)NCCCO 512a_100020588543_100000182051 [0,1,0,0,0,0|3,0,0]=4 3642 B12R0.142 CCC(C)CNC(=O)NCCOC 2708a_100020588543_100000209980 [0,1,0,0,0,0|3,0,0]=4 3643 B12R0.142 CCC(C)CNC(=O)NCCOC 273464a_100000209980_100020588543 [0,1,0,0,0,0|3,0,0]=4 3644 B12R0.142 CCC(C)CNC(=O)NCCOC 273464a_100020588543_100000209980 [0,1,0,0,0,0|3,0,0]=4 3645 B12R0.142 CCC(C)CNC(=O)NCCSC 2708a_100020588543_100020590264 [0,1,0,0,0,0|3,0,0]=4 3646 B12R0.142 CCC(C)CNC(=O)NCCSC 2708a_100020590264_100020588543 [0,1,0,0,0,0|3,0,0]=4 3647 B12R0.142 CCC(C)CNC(=O)NCCSC 273464a_100020588543_100020590264 [0,1,0,0,0,0|3,0,0]=4 3648 B12R0.142 CCC(C)CNC(=O)NCCSC 273464a_100020590264_100020588543 [0,1,0,0,0,0|3,0,0]=4 3649 B12R0.142 CCC(C)CNC(=O)NCCSC 512a_100020588543_100020590264 [0,1,0,0,0,0|3,0,0]=4 3650 B12R0.142 CCC(C)CNC(=O)NCCSC 512a_100020590264_100020588543 [0,1,0,0,0,0|3,0,0]=4 3651 B12R0.142 CCC(C)COC(C)CCCOC 34a_200011539412_100000748023 [0,1,0,0,0,0|2,0,1]=4 3652 B12R0.142 CCC(C)COC(C)CCCOC 7a_200011539412_100000748023 [0,1,0,0,0,0|2,0,1]=4 3653 B12R0.142 CCC(C)NCC(=O)NCCOC 2230a_100000209981_100000183275 [0,1,0,0,0,0|3,0,0]=4 3654 B12R0.142 CCC(C)NCC(=O)NCCOC 2230a_100000754632_100000758301 [0,1,0,0,0,0|3,0,0]=4 3655 B12R0.142 CCC(C)NCC(=O)OCCOC 2230a_100000209981_200000040189 [0,1,0,0,0,0|2,0,0]=3 3656 B12R0.142 CCC(C)NNC(=O)CCCOC 22a_100000718999_100000741012 [0,1,0,0,0,0|3,0,0]=4 3657 B12R0.142 CCC(C)NNC(=O)CCCSC 22a_100000718999_100000173376 [0,1,0,0,0,0|3,0,0]=4 3658 B12R0.142 CCC(C)OCC(=O)NCCOC 7a_100000210228_100000183275 [0,1,0,0,0,0|3,0,0]=4 3659 B12R0.142 CCC(C)OCC(=O)OCCOC 7a_100000210228_200000040189 [0,1,0,0,0,0|2,0,0]=3 3660 B12R0.142 CCC(C)SCC(=O)NCCOC 62a_100000183275_100000758301 [0,1,0,0,0,0|3,0,0]=4 3661 B12R0.142 CCC(C)SCC(=O)NCCOC 62a_100000758301_100000183275 [0,1,0,0,0,0|3,0,0]=4 3662 B12R0.142 CCC(C)SCC(=O)OCCOC 62a_100000758301_200000040189 [0,1,0,0,0,0|2,0,0]=3 3663 B12R0.142 CCC(C)SCC(=O)OCCOC 62a_200000040189_100000758301 [0,1,0,0,0,0|2,0,0]=3 3664 B12R0.142 CCC(O)CCC(=O)NCCC#N 1626a_100000720768_203496584001 [0,1,0,0,0,0|2,0,1]=4 3665 B12R0.142 CCC(O)CCC(=O)NCCC#N 240690a_100000720768_203496584001 [0,1,0,0,0,0|2,0,1]=4 3666 B12R0.142 CCC(O)CCC(=O)NCCCF 1626a_100015189416_203496584001 [0,1,0,0,0,0|2,0,0]=3 3667 B12R0.142 CCC(O)CCC(=O)NCCCF 240690a_100015189416_203496584001 [0,1,0,0,0,0|2,0,0]=3 3668 B12R0.142 CCC(O)CCC(=O)NCCCO 240690a_100000182051_203496584001 [0,1,0,0,0,0|2,0,0]=3 3669 B12R0.142 CCC(O)CCC(=O)NCCOC 1626a_100000209980_203496584001 [0,1,0,0,0,0|2,0,0]=3 3670 B12R0.142 CCC(O)CCC(=O)NCCOC 240690a_100000209980_203496584001 [0,1,0,0,0,0|2,0,0]=3 3671 B12R0.142 CCC(O)CCC(=O)NCCSC 1626a_100020590264_203496584001 [0,1,0,0,0,0|2,0,0]=3 3672 B12R0.142 CCC(O)CCC(=O)NCCSC 240690a_100020590264_203496584001 [0,1,0,0,0,0|2,0,0]=3 3673 B12R0.142 CCC(O)CCC(=O)NNCCO 22a_100000210001_203496584001 [0,1,0,0,0,0|3,0,0]=4 3674 B12R0.142 CCC(O)CNC(=O)CCCC#N 11a_100011218483_100000075515 [0,1,0,0,0,0|2,0,1]=4 3675 B12R0.142 CCC(O)CNC(=O)CCCC#N 240690a_100011218483_100000075515 [0,1,0,0,0,0|2,0,1]=4 3676 B12R0.142 CCC(O)CNC(=O)CCCC#N 527a_100011218483_100000075515 [0,1,0,0,0,0|2,0,1]=4 3677 B12R0.142 CCC(O)CNC(=O)CCCOC 11a_100011218483_100000741012 [0,1,0,0,0,0|2,0,0]=3 3678 B12R0.142 CCC(O)CNC(=O)CCCOC 240690a_100011218483_100000741012 [0,1,0,0,0,0|2,0,0]=3 3679 B12R0.142 CCC(O)CNC(=O)CCCOC 527a_100011218483_100000741012 [0,1,0,0,0,0|2,0,0]=3 3680 B12R0.142 CCC(O)CNC(=O)CCCSC 11a_100011218483_100000173376 [0,1,0,0,0,0|2,0,0]=3 3681 B12R0.142 CCC(O)CNC(=O)CCCSC 240690a_100011218483_100000173376 [0,1,0,0,0,0|2,0,0]=3 3682 B12R0.142 CCC(O)CNC(=O)CCCSC 527a_100011218483_100000173376 [0,1,0,0,0,0|2,0,0]=3 3683 B12R0.142 CCC(O)CNC(=O)COCCO 240690a_100011218483_100000708028 [0,1,0,0,0,0|3,0,0]=4 3684 B12R0.142 CCC(O)CNC(=O)NCCCF 2708a_100015189416_100011218483 [0,1,0,0,0,0|3,0,0]=4 3685 B12R0.142 CCC(O)CNC(=O)NCCCF 273464a_100011218483_100015189416 [0,1,0,0,0,0|3,0,0]=4 3686 B12R0.142 CCC(O)CNC(=O)NCCCF 273464a_100015189416_100011218483 [0,1,0,0,0,0|3,0,0]=4 3687 B12R0.142 CCC(O)CNC(=O)NCCCF 512a_100011218483_100015189416 [0,1,0,0,0,0|3,0,0]=4 3688 B12R0.142 CCC(O)CNC(=O)NCCCO 273464a_100000182051_100011218483 [0,1,0,0,0,0|3,0,0]=4 3689 B12R0.142 CCC(O)CNC(=O)NCCCO 273464a_100011218483_100000182051 [0,1,0,0,0,0|3,0,0]=4 3690 B12R0.142 CCC(O)CNC(=O)NCCCO 512a_100011218483_100000182051 [0,1,0,0,0,0|3,0,0]=4 3691 B12R0.142 CCC(O)CNC(=O)NCCOC 273464a_100000209980_100011218483 [0,1,0,0,0,0|3,0,0]=4 3692 B12R0.142 CCC(O)CNC(=O)NCCOC 273464a_100011218483_100000209980 [0,1,0,0,0,0|3,0,0]=4 3693 B12R0.142 CCC(O)CNC(=O)NCCSC 2708a_100020590264_100011218483 [0,1,0,0,0,0|3,0,0]=4 3694 B12R0.142 CCC(O)CNC(=O)NCCSC 273464a_100011218483_100020590264 [0,1,0,0,0,0|3,0,0]=4 3695 B12R0.142 CCC(O)CNC(=O)NCCSC 273464a_100020590264_100011218483 [0,1,0,0,0,0|3,0,0]=4 3696 B12R0.142 CCC(O)CNC(=O)NCCSC 512a_100011218483_100020590264 [0,1,0,0,0,0|3,0,0]=4 3697 B12R0.142 CCC(O)COC(C)CCCOC 34a_200011539412_100011218378 [0,1,0,0,0,0|2,0,1]=4 3698 B12R0.142 CCC(O)COC(C)CCCOC 7a_200011539412_100011218378 [0,1,0,0,0,0|2,0,1]=4 3699 B12R0.142 CCCC#CC(=O)NCC(C)CC 240690a_100020588543_200011218047 [0,1,0,0,0,0|1,0,2]=4 3700 B12R0.142 CCCC#CC(=O)NCC(O)CC 240690a_100011218483_200011218047 [0,1,0,0,0,0|1,0,2]=4 3701 B12R0.142 CCCC=CC(=O)NCC(C)CC 11a_100020588543_100000212230 [0,1,0,0,0,0|1,0,2]=4 3702 B12R0.142 CCCC=CC(=O)NCC(C)CC 1626a_100020588543_100000212230 [0,1,0,0,0,0|1,0,2]=4 3703 B12R0.142 CCCC=CC(=O)NCC(C)CC 240690a_100020588543_100000212230 [0,1,0,0,0,0|1,0,2]=4 3704 B12R0.142 CCCC=CC(=O)NCC(O)CC 11a_100011218483_100000212230 [0,1,0,0,0,0|1,0,2]=4 3705 B12R0.142 CCCC=CC(=O)NCC(O)CC 240690a_100011218483_100000212230 [0,1,0,0,0,0|1,0,2]=4 3706 B12R0.142 CCCCCC(=NNC(C)CC)C 4a_100000718999_100000211708 [0,1,0,0,0,0|3,0,0]=4 3707 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [0,1,0,0,0,0|2,0,1]=4 3708 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,1,0,0,0,0|2,0,1]=4 3709 B12R0.142 CCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210326 [0,1,0,0,0,0|1,0,0]=2 3710 B12R0.142 CCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210326 [0,1,0,0,0,0|2,0,0]=3 3711 B12R0.142 CCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210326 [0,1,0,0,0,0|2,0,0]=3 3712 B12R0.142 CCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210326 [0,1,0,0,0,0|2,0,1]=4 3713 B12R0.142 CCCCCC(=O)CNC(C)CC 2230a_100000209981_200012276598 [0,1,0,0,0,0|2,0,0]=3 3714 B12R0.142 CCCCCC(=O)CN[C@H](C)CO 2230a_100000737577_200012276598 [0,1,0,0,0,0|3,0,0]=4 3715 B12R0.142 CCCCCC(=O)COC(C)CC 7a_100000210228_200012276598 [0,1,0,0,0,0|2,0,0]=3 3716 B12R0.142 CCCCCC(=O)COC(C)CF 34a_100016041109_200012276598 [0,1,0,0,0,0|3,0,0]=4 3717 B12R0.142 CCCCCC(=O)COC(C)CF 7a_100016041109_200012276598 [0,1,0,0,0,0|3,0,0]=4 3718 B12R0.142 CCCCCC(=O)COC(C)CN 34a_100000210904_200012276598 [0,1,0,0,0,0|3,0,0]=4 3719 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_100000758301_200012276598 [0,1,0,0,0,0|2,0,0]=3 3720 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_200012276598_100000758301 [0,1,0,0,0,0|2,0,0]=3 3721 B12R0.142 CCCCCC(=O)CSC(C)CO 62a_100012180447_200012276598 [0,1,0,0,0,0|3,0,0]=4 3722 B12R0.142 CCCCCC(=O)CSC(C)OC 62a_100009879195_200012276598 [0,1,0,0,0,0|3,0,0]=4 3723 B12R0.142 CCCCCC(=O)CSC(C)OC 62a_200012276598_100009879195 [0,1,0,0,0,0|3,0,0]=4 3724 B12R0.142 CCCCCC(=O)CS[C@H](C)CO 62a_100016084084_200012276598 [0,1,0,0,0,0|3,0,0]=4 3725 B12R0.142 CCCCCC(=O)CS[C@H](C)CO 62a_200012276598_100016084084 [0,1,0,0,0,0|3,0,0]=4 3726 B12R0.142 CCCCCC(=O)NCC(=O)NC 11a_100000693194_100000212188 [0,1,0,0,0,0|2,0,1]=4 3727 B12R0.142 CCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000212188 [0,1,0,0,0,0|2,0,1]=4 3728 B12R0.142 CCCCCC(=O)NCC(=O)NC 527a_100000693194_100000212188 [0,1,0,0,0,0|2,0,1]=4 3729 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [0,1,0,0,0,0|2,0,1]=4 3730 B12R0.142 CCCCCC(=O)NCC(C)CC 11a_100020588543_100000212188 [0,1,0,0,0,0|1,0,0]=2 3731 B12R0.142 CCCCCC(=O)NCC(C)CC 1626a_100020588543_100000212188 [0,1,0,0,0,0|1,0,0]=2 3732 B12R0.142 CCCCCC(=O)NCC(C)CC 240690a_100020588543_100000212188 [0,1,0,0,0,0|1,0,0]=2 3733 B12R0.142 CCCCCC(=O)NCC(C)CC 527a_100020588543_100000212188 [0,1,0,0,0,0|1,0,0]=2 3734 B12R0.142 CCCCCC(=O)NCC(C)CO 240690a_100000744482_100000212188 [0,1,0,0,0,0|2,0,0]=3 3735 B12R0.142 CCCCCC(=O)NCC(C)CO 527a_100000744482_100000212188 [0,1,0,0,0,0|2,0,0]=3 3736 B12R0.142 CCCCCC(=O)NCC(O)CC 11a_100011218483_100000212188 [0,1,0,0,0,0|1,0,0]=2 3737 B12R0.142 CCCCCC(=O)NCC(O)CC 240690a_100011218483_100000212188 [0,1,0,0,0,0|1,0,0]=2 3738 B12R0.142 CCCCCC(=O)NCC(O)CC 527a_100011218483_100000212188 [0,1,0,0,0,0|1,0,0]=2 3739 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000212188 [0,1,0,0,0,0|2,0,0]=3 3740 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000212188 [0,1,0,0,0,0|2,0,0]=3 3741 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000212188 [0,1,0,0,0,0|2,0,0]=3 3742 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000212188 [0,1,0,0,0,0|2,0,0]=3 3743 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000212188 [0,1,0,0,0,0|2,0,0]=3 3744 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000212188 [0,1,0,0,0,0|2,0,0]=3 3745 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000212188 [0,1,0,0,0,0|2,0,0]=3 3746 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000212188 [0,1,0,0,0,0|2,0,0]=3 3747 B12R0.142 CCCCCC(=O)NNC(=O)CC 22a_100000183195_100000212188 [0,1,0,0,0,0|2,0,1]=4 3748 B12R0.142 CCCCCC(=O)NNC(=O)CC 22a_100000189784_100000210414 [0,1,0,0,0,0|2,0,1]=4 3749 B12R0.142 CCCCCC(=O)NNC(C)CC 22a_100000718999_100000212188 [0,1,0,0,0,0|2,0,0]=3 3750 B12R0.142 CCCCCC(C)NCC(C)CC 2230a_100000211957_100000748023 [0,1,0,0,0,0|2,0,1]=4 3751 B12R0.142 CCCCCC(C)NCC(C)CC 2230a_100020588543_200011218191 [0,1,0,0,0,0|2,0,1]=4 3752 B12R0.142 CCCCCC(C)NCC(C)CC 270004a_100000211957_100000243153 [0,1,0,0,0,0|2,0,1]=4 3753 B12R0.142 CCCCCC(C)NCC(C)CC 270004a_100020588543_100000211708 [0,1,0,0,0,0|2,0,1]=4 3754 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100000211957_100011218378 [0,1,0,0,0,0|2,0,1]=4 3755 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100011218483_200011218191 [0,1,0,0,0,0|2,0,1]=4 3756 B12R0.142 CCCCCC(C)NCC(O)CC 270004a_100011218483_100000211708 [0,1,0,0,0,0|2,0,1]=4 3757 B12R0.142 CCCCCC(C)NC[C@@H](C)CC 2230a_100000211957_100009816398 [0,1,0,0,0,0|2,0,1]=4 3758 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,1,0,0,0,0|1,0,2]=4 3759 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,1,0,0,0,0|1,0,2]=4 3760 B12R0.142 CCCCCC(C)OCC(C)CC 34a_100011215632_100000748023 [0,1,0,0,0,0|1,0,1]=3 3761 B12R0.142 CCCCCC(C)OCC(C)CC 7a_100011215632_100000748023 [0,1,0,0,0,0|1,0,1]=3 3762 B12R0.142 CCCCCC(C)OCC(C)CN 34a_100000744482_200011218191 [0,1,0,0,0,0|2,0,1]=4 3763 B12R0.142 CCCCCC(C)OCC(C)OC 34a_100000690652_200011218191 [0,1,0,0,0,0|2,0,1]=4 3764 B12R0.142 CCCCCC(C)OCC(Cl)CCl 34a_100000033668_200011218191 [0,1,0,0,0,0|2,0,1]=4 3765 B12R0.142 CCCCCC(C)OCC(O)CC 34a_100011215632_100011218378 [0,1,0,0,0,0|1,0,1]=3 3766 B12R0.142 CCCCCC(C)OCC(O)CC 7a_100011215632_100011218378 [0,1,0,0,0,0|1,0,1]=3 3767 B12R0.142 CCCCCC(C)OCC(O)CO 34a_100011215632_100011219619 [0,1,0,0,0,0|2,0,1]=4 3768 B12R0.142 CCCCCC(C)OCC(O)CO 7a_100011215632_100011219619 [0,1,0,0,0,0|2,0,1]=4 3769 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 34a_100011215632_100009816398 [0,1,0,0,0,0|1,0,1]=3 3770 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011218191 [0,1,0,0,0,0|1,0,1]=3 3771 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100011215632_100009816398 [0,1,0,0,0,0|1,0,1]=3 3772 B12R0.142 CCCCCC(C)OC[C@@H](C)CO 34a_100011215632_100000059175 [0,1,0,0,0,0|2,0,1]=4 3773 B12R0.142 CCCCCC(C)OC[C@@H](C)CO 7a_100011215632_100000059175 [0,1,0,0,0,0|2,0,1]=4 3774 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 34a_100011215632_100015614560 [0,1,0,0,0,0|2,0,1]=4 3775 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 7a_100011215632_100015614560 [0,1,0,0,0,0|2,0,1]=4 3776 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 34a_100011215632_100009815848 [0,1,0,0,0,0|2,0,1]=4 3777 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 7a_100011215632_100009815848 [0,1,0,0,0,0|2,0,1]=4 3778 B12R0.142 CCCCCC(C)OC[C@H](F)CN 34a_100015665980_200011218191 [0,1,0,0,0,0|2,0,1]=4 3779 B12R0.142 CCCCCC(C)SCC(C)CC 62a_100000748023_200011218191 [0,1,0,0,0,0|1,1,1]=4 3780 B12R0.142 CCCCCC(C)SCC(C)CC 62a_200011218191_100000748023 [0,1,0,0,0,0|1,1,1]=4 3781 B12R0.142 CCCCCC(C)SCC(O)CC 62a_100011218378_200011218191 [0,1,0,0,0,0|1,1,1]=4 3782 B12R0.142 CCCCCC(C)SCC(O)CC 62a_200011218191_100011218378 [0,1,0,0,0,0|1,1,1]=4 3783 B12R0.142 CCCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011218191 [0,1,0,0,0,0|1,1,1]=4 3784 B12R0.142 CCCCCC(C)SC[C@@H](C)CC 62a_200011218191_100009816398 [0,1,0,0,0,0|1,1,1]=4 3785 B12R0.142 CCCCNC(=O)CCC(=O)NC 11a_100000102301_100011309844 [0,1,0,0,0,0|2,0,1]=4 3786 B12R0.142 CCCCNC(=O)CCC(=O)NC 1626a_100000102301_100011309844 [0,1,0,0,0,0|2,0,1]=4 3787 B12R0.142 CCCCNC(=O)CCC(=O)NC 240690a_100000102301_100011309844 [0,1,0,0,0,0|2,0,1]=4 3788 B12R0.142 CCCCNC(=O)CCC(=O)NC 527a_100000102301_100011309844 [0,1,0,0,0,0|2,0,1]=4 3789 B12R0.142 CCCCNC(=O)CCC(=O)OC 11a_100000102301_100000187943 [0,1,0,0,0,0|2,0,1]=4 3790 B12R0.142 CCCCNC(=O)CCC(=O)OC 1626a_100000102301_100000187943 [0,1,0,0,0,0|2,0,1]=4 3791 B12R0.142 CCCCNC(=O)CCC(=O)OC 240690a_100000102301_100000187943 [0,1,0,0,0,0|2,0,1]=4 3792 B12R0.142 CCCCNC(=O)CCC(=O)OC 527a_100000102301_100000187943 [0,1,0,0,0,0|2,0,1]=4 3793 B12R0.142 CCCCNC(=O)CCC(C)CC 11a_100000102301_100000701222 [0,1,0,0,0,0|1,0,0]=2 3794 B12R0.142 CCCCNC(=O)CCC(C)CC 1626a_100000102301_100000701222 [0,1,0,0,0,0|1,0,0]=2 3795 B12R0.142 CCCCNC(=O)CCC(C)CC 240690a_100000102301_100000701222 [0,1,0,0,0,0|1,0,0]=2 3796 B12R0.142 CCCCNC(=O)CCC(C)CC 527a_100000102301_100000701222 [0,1,0,0,0,0|1,0,0]=2 3797 B12R0.142 CCCCNC(=O)CCC(O)CC 1626a_100000102301_203496584001 [0,1,0,0,0,0|1,0,0]=2 3798 B12R0.142 CCCCNC(=O)CCC(O)CC 240690a_100000102301_203496584001 [0,1,0,0,0,0|1,0,0]=2 3799 B12R0.142 CCCCNC(=O)CCN(C)CC 240690a_100000102301_100000755305 [0,1,0,0,0,0|2,0,0]=3 3800 B12R0.142 CCCCNC(=O)CCS(=O)CC 11a_100000102301_100011387550 [0,1,0,0,0,0|2,0,0]=3 3801 B12R0.142 CCCCNC(=O)CCS(=O)CC 1626a_100000102301_100011387550 [0,1,0,0,0,0|2,0,0]=3 3802 B12R0.142 CCCCNC(=O)CCS(=O)CC 240690a_100000102301_100011387550 [0,1,0,0,0,0|2,0,0]=3 3803 B12R0.142 CCCCNC(=O)CCS(=O)CC 527a_100000102301_100011387550 [0,1,0,0,0,0|2,0,0]=3 3804 B12R0.142 CCCCNC(=O)CNC(=O)CC 11a_100000102301_100000194589 [0,1,0,0,0,0|2,0,1]=4 3805 B12R0.142 CCCCNC(=O)CNC(=O)CC 1626a_100000102301_100000194589 [0,1,0,0,0,0|2,0,1]=4 3806 B12R0.142 CCCCNC(=O)CNC(=O)CC 240690a_100000102301_100000194589 [0,1,0,0,0,0|2,0,1]=4 3807 B12R0.142 CCCCNC(=O)CNC(=O)CC 527a_100000102301_100000194589 [0,1,0,0,0,0|2,0,1]=4 3808 B12R0.142 CCCCNC(=O)CNC(C)CC 2230a_100000209981_100000182744 [0,1,0,0,0,0|2,0,0]=3 3809 B12R0.142 CCCCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000182744 [0,1,0,0,0,0|3,0,0]=4 3810 B12R0.142 CCCCNC(=O)COC(C)CC 7a_100000210228_100000182744 [0,1,0,0,0,0|2,0,0]=3 3811 B12R0.142 CCCCNC(=O)COC(C)CF 34a_100016041109_100000182744 [0,1,0,0,0,0|3,0,0]=4 3812 B12R0.142 CCCCNC(=O)COC(C)CF 7a_100016041109_100000182744 [0,1,0,0,0,0|3,0,0]=4 3813 B12R0.142 CCCCNC(=O)COC(C)CN 34a_100000210904_100000182744 [0,1,0,0,0,0|3,0,0]=4 3814 B12R0.142 CCCCNC(=O)CSC(C)CC 62a_100000182744_100000758301 [0,1,0,0,0,0|2,0,0]=3 3815 B12R0.142 CCCCNC(=O)CSC(C)CC 62a_100000758301_100000182744 [0,1,0,0,0,0|2,0,0]=3 3816 B12R0.142 CCCCNC(=O)CSC(C)CO 62a_100012180447_100000182744 [0,1,0,0,0,0|3,0,0]=4 3817 B12R0.142 CCCCNC(=O)CSC(C)OC 62a_100000182744_100009879195 [0,1,0,0,0,0|3,0,0]=4 3818 B12R0.142 CCCCNC(=O)CSC(C)OC 62a_100009879195_100000182744 [0,1,0,0,0,0|3,0,0]=4 3819 B12R0.142 CCCCNC(=O)CS[C@H](C)CO 62a_100000182744_100016084084 [0,1,0,0,0,0|3,0,0]=4 3820 B12R0.142 CCCCNC(=O)CS[C@H](C)CO 62a_100016084084_100000182744 [0,1,0,0,0,0|3,0,0]=4 3821 B12R0.142 CCCCNC(=O)NCC(C)CC 2708a_100000102301_100020588543 [0,1,0,0,0,0|2,0,0]=3 3822 B12R0.142 CCCCNC(=O)NCC(C)CC 2708a_100020588543_100000102301 [0,1,0,0,0,0|2,0,0]=3 3823 B12R0.142 CCCCNC(=O)NCC(C)CC 273464a_100000102301_100020588543 [0,1,0,0,0,0|2,0,0]=3 3824 B12R0.142 CCCCNC(=O)NCC(C)CC 273464a_100020588543_100000102301 [0,1,0,0,0,0|2,0,0]=3 3825 B12R0.142 CCCCNC(=O)NCC(C)CC 512a_100000102301_100020588543 [0,1,0,0,0,0|2,0,0]=3 3826 B12R0.142 CCCCNC(=O)NCC(C)CC 512a_100020588543_100000102301 [0,1,0,0,0,0|2,0,0]=3 3827 B12R0.142 CCCCNC(=O)NCC(C)CO 2708a_100000102301_100000744482 [0,1,0,0,0,0|3,0,0]=4 3828 B12R0.142 CCCCNC(=O)NCC(C)CO 273464a_100000102301_100000744482 [0,1,0,0,0,0|3,0,0]=4 3829 B12R0.142 CCCCNC(=O)NCC(C)CO 273464a_100000744482_100000102301 [0,1,0,0,0,0|3,0,0]=4 3830 B12R0.142 CCCCNC(=O)NCC(C)CO 512a_100000102301_100000744482 [0,1,0,0,0,0|3,0,0]=4 3831 B12R0.142 CCCCNC(=O)NCC(C)CO 512a_100000744482_100000102301 [0,1,0,0,0,0|3,0,0]=4 3832 B12R0.142 CCCCNC(=O)NCC(O)CC 2708a_100000102301_100011218483 [0,1,0,0,0,0|2,0,0]=3 3833 B12R0.142 CCCCNC(=O)NCC(O)CC 273464a_100000102301_100011218483 [0,1,0,0,0,0|2,0,0]=3 3834 B12R0.142 CCCCNC(=O)NCC(O)CC 273464a_100011218483_100000102301 [0,1,0,0,0,0|2,0,0]=3 3835 B12R0.142 CCCCNC(=O)NCC(O)CC 512a_100011218483_100000102301 [0,1,0,0,0,0|2,0,0]=3 3836 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 2708a_100000102301_100020591295 [0,1,0,0,0,0|3,0,0]=4 3837 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100000102301 [0,1,0,0,0,0|3,0,0]=4 3838 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 273464a_100000102301_100020591295 [0,1,0,0,0,0|3,0,0]=4 3839 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000102301 [0,1,0,0,0,0|3,0,0]=4 3840 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 512a_100000102301_100020591295 [0,1,0,0,0,0|3,0,0]=4 3841 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 512a_100020591295_100000102301 [0,1,0,0,0,0|3,0,0]=4 3842 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 2708a_100000102301_100015665980 [0,1,0,0,0,0|3,0,0]=4 3843 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 273464a_100000102301_100015665980 [0,1,0,0,0,0|3,0,0]=4 3844 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100000102301 [0,1,0,0,0,0|3,0,0]=4 3845 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 512a_100000102301_100015665980 [0,1,0,0,0,0|3,0,0]=4 3846 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 512a_100015665980_100000102301 [0,1,0,0,0,0|3,0,0]=4 3847 B12R0.142 CCCCNC(=O)NC[C@H](O)CO 2708a_100000102301_100020644852 [0,1,0,0,0,0|3,0,0]=4 3848 B12R0.142 CCCCNC(=O)NC[C@H](O)CO 273464a_100000102301_100020644852 [0,1,0,0,0,0|3,0,0]=4 3849 B12R0.142 CCCCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000102301 [0,1,0,0,0,0|3,0,0]=4 3850 B12R0.142 CCCCNC(=O)NNC(C)CC 273464a_100000102301_100000718999 [0,1,0,0,0,0|3,0,0]=4 3851 B12R0.142 CCCCNC(=O)NNC(C)CC 512a_100000102301_100000718999 [0,1,0,0,0,0|3,0,0]=4 3852 B12R0.142 CCCCNC(=O)NNC(C)CC 512a_100000718999_100000102301 [0,1,0,0,0,0|3,0,0]=4 3853 B12R0.142 CCCCOC(=O)CNC(C)C#N 2230a_100000737613_100000211628 [0,1,0,0,0,0|2,0,1]=4 3854 B12R0.142 CCCCOC(=O)CNC(C)CC 2230a_100000209981_100000211628 [0,1,0,0,0,0|1,0,0]=2 3855 B12R0.142 CCCCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000211628 [0,1,0,0,0,0|2,0,0]=3 3856 B12R0.142 CCCCOC(=O)COC(C)C#N 34a_100011218135_100000211628 [0,1,0,0,0,0|2,0,1]=4 3857 B12R0.142 CCCCOC(=O)COC(C)CC 7a_100000210228_100000211628 [0,1,0,0,0,0|1,0,0]=2 3858 B12R0.142 CCCCOC(=O)COC(C)CF 34a_100016041109_100000211628 [0,1,0,0,0,0|2,0,0]=3 3859 B12R0.142 CCCCOC(=O)COC(C)CF 7a_100016041109_100000211628 [0,1,0,0,0,0|2,0,0]=3 3860 B12R0.142 CCCCOC(=O)COC(C)CN 34a_100000210904_100000211628 [0,1,0,0,0,0|2,0,0]=3 3861 B12R0.142 CCCCOC(=O)CSC(C)C#N 62a_100000211628_100000703298 [0,1,0,0,0,0|2,0,1]=4 3862 B12R0.142 CCCCOC(=O)CSC(C)C#N 62a_100000703298_100000211628 [0,1,0,0,0,0|2,0,1]=4 3863 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000211628_100000758301 [0,1,0,0,0,0|1,0,0]=2 3864 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000758301_100000211628 [0,1,0,0,0,0|1,0,0]=2 3865 B12R0.142 CCCCOC(=O)CSC(C)CO 62a_100012180447_100000211628 [0,1,0,0,0,0|2,0,0]=3 3866 B12R0.142 CCCCOC(=O)CSC(C)OC 62a_100000211628_100009879195 [0,1,0,0,0,0|2,0,0]=3 3867 B12R0.142 CCCCOC(=O)CSC(C)OC 62a_100009879195_100000211628 [0,1,0,0,0,0|2,0,0]=3 3868 B12R0.142 CCCCOC(=O)CSC(F)C#N 62a_100000211628_200000117898 [0,1,0,0,0,0|2,0,1]=4 3869 B12R0.142 CCCCOC(=O)CSC(F)C#N 62a_200000117898_100000211628 [0,1,0,0,0,0|2,0,1]=4 3870 B12R0.142 CCCCOC(=O)CS[C@H](C)CO 62a_100000211628_100016084084 [0,1,0,0,0,0|2,0,0]=3 3871 B12R0.142 CCCCOC(=O)CS[C@H](C)CO 62a_100016084084_100000211628 [0,1,0,0,0,0|2,0,0]=3 3872 B12R0.142 CCCCOC(C)CCC(C)CC 7a_200011216552_100000210211 [0,1,0,0,0,0|1,0,1]=3 3873 B12R0.142 CCCNNC(=O)CCC(C)CC 22a_100000740057_100000701222 [0,1,0,0,0,0|2,0,0]=3 3874 B12R0.142 CCCNNC(=O)CCC(O)CC 22a_100000740057_203496584001 [0,1,0,0,0,0|2,0,0]=3 3875 B12R0.142 CCCNNC(=O)CCN(C)CC 22a_100000740057_100000755305 [0,1,0,0,0,0|3,0,0]=4 3876 B12R0.142 CCCNNC(=O)NCC(C)CC 273464a_100020588543_100000740057 [0,1,0,0,0,0|3,0,0]=4 3877 B12R0.142 CCCNNC(=O)NCC(C)CC 512a_100000740057_100020588543 [0,1,0,0,0,0|3,0,0]=4 3878 B12R0.142 CCCNNC(=O)NCC(C)CC 512a_100020588543_100000740057 [0,1,0,0,0,0|3,0,0]=4 3879 B12R0.142 CCCNNC(=O)NCC(O)CC 273464a_100011218483_100000740057 [0,1,0,0,0,0|3,0,0]=4 3880 B12R0.142 CCCNNC(=O)NCC(O)CC 512a_100011218483_100000740057 [0,1,0,0,0,0|3,0,0]=4 3881 B12R0.142 CCCOCC(=O)NCC(C)CC 11a_100020588543_100000745993 [0,1,0,0,0,0|2,0,0]=3 3882 B12R0.142 CCCOCC(=O)NCC(C)CC 1626a_100020588543_100000745993 [0,1,0,0,0,0|2,0,0]=3 3883 B12R0.142 CCCOCC(=O)NCC(C)CC 240690a_100020588543_100000745993 [0,1,0,0,0,0|2,0,0]=3 3884 B12R0.142 CCCOCC(=O)NCC(C)CC 527a_100020588543_100000745993 [0,1,0,0,0,0|2,0,0]=3 3885 B12R0.142 CCCOCC(=O)NCC(C)CO 240690a_100000744482_100000745993 [0,1,0,0,0,0|3,0,0]=4 3886 B12R0.142 CCCOCC(=O)NCC(C)CO 527a_100000744482_100000745993 [0,1,0,0,0,0|3,0,0]=4 3887 B12R0.142 CCCOCC(=O)NCC(O)CC 11a_100011218483_100000745993 [0,1,0,0,0,0|2,0,0]=3 3888 B12R0.142 CCCOCC(=O)NCC(O)CC 240690a_100011218483_100000745993 [0,1,0,0,0,0|2,0,0]=3 3889 B12R0.142 CCCOCC(=O)NCC(O)CC 527a_100011218483_100000745993 [0,1,0,0,0,0|2,0,0]=3 3890 B12R0.142 CCCOCC(=O)NCC(O)CO 34a_100000210258_200012027429 [0,1,0,0,0,0|3,0,0]=4 3891 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 11a_100020591295_100000745993 [0,1,0,0,0,0|3,0,0]=4 3892 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000745993 [0,1,0,0,0,0|3,0,0]=4 3893 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000745993 [0,1,0,0,0,0|3,0,0]=4 3894 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 527a_100020591295_100000745993 [0,1,0,0,0,0|3,0,0]=4 3895 B12R0.142 CCCOCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000745993 [0,1,0,0,0,0|3,0,0]=4 3896 B12R0.142 CCCOCC(=O)NC[C@@H](F)CO 527a_100015665980_100000745993 [0,1,0,0,0,0|3,0,0]=4 3897 B12R0.142 CCCOCC(=O)NC[C@H](O)CO 240690a_100020644852_100000745993 [0,1,0,0,0,0|3,0,0]=4 3898 B12R0.142 CCCOCC(=O)NC[C@H](O)CO 527a_100020644852_100000745993 [0,1,0,0,0,0|3,0,0]=4 3899 B12R0.142 CCCOCC(=O)NNC(C)CC 22a_100000718999_100000745993 [0,1,0,0,0,0|3,0,0]=4 3900 B12R0.142 CCCSCC(=O)NCC(C)CC 11a_100020588543_100000217233 [0,1,0,0,0,0|2,0,0]=3 3901 B12R0.142 CCCSCC(=O)NCC(C)CC 1626a_100020588543_100000217233 [0,1,0,0,0,0|2,0,0]=3 3902 B12R0.142 CCCSCC(=O)NCC(C)CC 240690a_100020588543_100000217233 [0,1,0,0,0,0|2,0,0]=3 3903 B12R0.142 CCCSCC(=O)NCC(C)CC 527a_100020588543_100000217233 [0,1,0,0,0,0|2,0,0]=3 3904 B12R0.142 CCCSCC(=O)NCC(C)CO 240690a_100000744482_100000217233 [0,1,0,0,0,0|3,0,0]=4 3905 B12R0.142 CCCSCC(=O)NCC(C)CO 527a_100000744482_100000217233 [0,1,0,0,0,0|3,0,0]=4 3906 B12R0.142 CCCSCC(=O)NCC(O)CC 11a_100011218483_100000217233 [0,1,0,0,0,0|2,0,0]=3 3907 B12R0.142 CCCSCC(=O)NCC(O)CC 240690a_100011218483_100000217233 [0,1,0,0,0,0|2,0,0]=3 3908 B12R0.142 CCCSCC(=O)NCC(O)CC 527a_100011218483_100000217233 [0,1,0,0,0,0|2,0,0]=3 3909 B12R0.142 CCCSCC(=O)NCC(O)CO 62a_100000210303_200012027429 [0,1,0,0,0,0|3,0,0]=4 3910 B12R0.142 CCCSCC(=O)NCC(O)CO 62a_200012027429_100000210303 [0,1,0,0,0,0|3,0,0]=4 3911 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 11a_100020591295_100000217233 [0,1,0,0,0,0|3,0,0]=4 3912 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000217233 [0,1,0,0,0,0|3,0,0]=4 3913 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000217233 [0,1,0,0,0,0|3,0,0]=4 3914 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 527a_100020591295_100000217233 [0,1,0,0,0,0|3,0,0]=4 3915 B12R0.142 CCCSCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000217233 [0,1,0,0,0,0|3,0,0]=4 3916 B12R0.142 CCCSCC(=O)NC[C@@H](F)CO 527a_100015665980_100000217233 [0,1,0,0,0,0|3,0,0]=4 3917 B12R0.142 CCCSCC(=O)NC[C@H](O)CO 240690a_100020644852_100000217233 [0,1,0,0,0,0|3,0,0]=4 3918 B12R0.142 CCCSCC(=O)NC[C@H](O)CO 527a_100020644852_100000217233 [0,1,0,0,0,0|3,0,0]=4 3919 B12R0.142 CCCSCC(=O)NNC(C)CC 22a_100000718999_100000217233 [0,1,0,0,0,0|3,0,0]=4 3920 B12R0.142 CCN(C)CCC(=O)CCCCF 1458a_100000755305_100000729493 [0,1,0,0,0,0|3,0,0]=4 3921 B12R0.142 CCN(C)CCC(=O)CCCCO 1458a_100000755305_100000210776 [0,1,0,0,0,0|3,0,0]=4 3922 B12R0.142 CCN(C)CCC(=O)CCCOC 1458a_100000755305_100000740836 [0,1,0,0,0,0|3,0,0]=4 3923 B12R0.142 CCN(C)CCC(=O)NCCCF 240690a_100015189416_100000755305 [0,1,0,0,0,0|3,0,0]=4 3924 B12R0.142 CCN(C)CCC(=O)NCCCO 240690a_100000182051_100000755305 [0,1,0,0,0,0|3,0,0]=4 3925 B12R0.142 CCN(C)CCC(=O)NCCOC 240690a_100000209980_100000755305 [0,1,0,0,0,0|3,0,0]=4 3926 B12R0.142 CCN(C)CCC(=O)NCCSC 240690a_100020590264_100000755305 [0,1,0,0,0,0|3,0,0]=4 3927 B12R0.142 CCOCCC(=O)CCC(C)CC 1458a_100000701222_100011215890 [0,1,0,0,0,0|2,0,0]=3 3928 B12R0.142 CCOCCC(=O)CCN(C)CC 1458a_100000755305_100011215890 [0,1,0,0,0,0|3,0,0]=4 3929 B12R0.142 CCOCCC(=O)CCS(=O)CC 1458a_100011387550_100011215890 [0,1,0,0,0,0|3,0,0]=4 3930 B12R0.142 CCOCCC(=O)NCC(C)CC 11a_100020588543_100000749530 [0,1,0,0,0,0|2,0,0]=3 3931 B12R0.142 CCOCCC(=O)NCC(C)CC 1626a_100020588543_100000749530 [0,1,0,0,0,0|2,0,0]=3 3932 B12R0.142 CCOCCC(=O)NCC(C)CC 240690a_100020588543_100000749530 [0,1,0,0,0,0|2,0,0]=3 3933 B12R0.142 CCOCCC(=O)NCC(C)CC 527a_100020588543_100000749530 [0,1,0,0,0,0|2,0,0]=3 3934 B12R0.142 CCOCCC(=O)NCC(C)CO 240690a_100000744482_100000749530 [0,1,0,0,0,0|3,0,0]=4 3935 B12R0.142 CCOCCC(=O)NCC(C)CO 527a_100000744482_100000749530 [0,1,0,0,0,0|3,0,0]=4 3936 B12R0.142 CCOCCC(=O)NCC(O)CC 11a_100011218483_100000749530 [0,1,0,0,0,0|2,0,0]=3 3937 B12R0.142 CCOCCC(=O)NCC(O)CC 240690a_100011218483_100000749530 [0,1,0,0,0,0|2,0,0]=3 3938 B12R0.142 CCOCCC(=O)NCC(O)CC 527a_100011218483_100000749530 [0,1,0,0,0,0|2,0,0]=3 3939 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000749530 [0,1,0,0,0,0|3,0,0]=4 3940 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000749530 [0,1,0,0,0,0|3,0,0]=4 3941 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000749530 [0,1,0,0,0,0|3,0,0]=4 3942 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000749530 [0,1,0,0,0,0|3,0,0]=4 3943 B12R0.142 CCOCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000749530 [0,1,0,0,0,0|3,0,0]=4 3944 B12R0.142 CCOCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000749530 [0,1,0,0,0,0|3,0,0]=4 3945 B12R0.142 CCOCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000749530 [0,1,0,0,0,0|3,0,0]=4 3946 B12R0.142 CCOCCC(=O)NC[C@H](O)CO 527a_100020644852_100000749530 [0,1,0,0,0,0|3,0,0]=4 3947 B12R0.142 CCOCCC(=O)NNC(C)CC 22a_100000718999_100000749530 [0,1,0,0,0,0|3,0,0]=4 3948 B12R0.142 CCS(=O)CCC(=O)CCCCF 1458a_100011387550_100000729493 [0,1,0,0,0,0|3,0,0]=4 3949 B12R0.142 CCS(=O)CCC(=O)CCCCO 1458a_100011387550_100000210776 [0,1,0,0,0,0|3,0,0]=4 3950 B12R0.142 CCS(=O)CCC(=O)CCCOC 1458a_100011387550_100000740836 [0,1,0,0,0,0|3,0,0]=4 3951 B12R0.142 CCS(=O)CCC(=O)NCCCF 11a_100015189416_100011387550 [0,1,0,0,0,0|3,0,0]=4 3952 B12R0.142 CCS(=O)CCC(=O)NCCCF 1626a_100015189416_100011387550 [0,1,0,0,0,0|3,0,0]=4 3953 B12R0.142 CCS(=O)CCC(=O)NCCCF 240690a_100015189416_100011387550 [0,1,0,0,0,0|3,0,0]=4 3954 B12R0.142 CCS(=O)CCC(=O)NCCCF 527a_100015189416_100011387550 [0,1,0,0,0,0|3,0,0]=4 3955 B12R0.142 CCS(=O)CCC(=O)NCCCO 240690a_100000182051_100011387550 [0,1,0,0,0,0|3,0,0]=4 3956 B12R0.142 CCS(=O)CCC(=O)NCCCO 527a_100000182051_100011387550 [0,1,0,0,0,0|3,0,0]=4 3957 B12R0.142 CCS(=O)CCC(=O)NCCOC 1626a_100000209980_100011387550 [0,1,0,0,0,0|3,0,0]=4 3958 B12R0.142 CCS(=O)CCC(=O)NCCOC 240690a_100000209980_100011387550 [0,1,0,0,0,0|3,0,0]=4 3959 B12R0.142 CCS(=O)CCC(=O)NCCOC 527a_100000209980_100011387550 [0,1,0,0,0,0|3,0,0]=4 3960 B12R0.142 CCS(=O)CCC(=O)NCCSC 11a_100020590264_100011387550 [0,1,0,0,0,0|3,0,0]=4 3961 B12R0.142 CCS(=O)CCC(=O)NCCSC 1626a_100020590264_100011387550 [0,1,0,0,0,0|3,0,0]=4 3962 B12R0.142 CCS(=O)CCC(=O)NCCSC 240690a_100020590264_100011387550 [0,1,0,0,0,0|3,0,0]=4 3963 B12R0.142 CCS(=O)CCC(=O)NCCSC 527a_100020590264_100011387550 [0,1,0,0,0,0|3,0,0]=4 3964 B12R0.142 CCSCCC(=O)CCC(C)CC 1458a_100000701222_100000757381 [0,1,0,0,0,0|2,0,0]=3 3965 B12R0.142 CCSCCC(=O)CCN(C)CC 1458a_100000755305_100000757381 [0,1,0,0,0,0|3,0,0]=4 3966 B12R0.142 CCSCCC(=O)CCS(=O)CC 1458a_100011387550_100000757381 [0,1,0,0,0,0|3,0,0]=4 3967 B12R0.142 CCSCCC(=O)NCC(C)CC 11a_100020588543_100000230768 [0,1,0,0,0,0|2,0,0]=3 3968 B12R0.142 CCSCCC(=O)NCC(C)CC 1626a_100020588543_100000230768 [0,1,0,0,0,0|2,0,0]=3 3969 B12R0.142 CCSCCC(=O)NCC(C)CC 240690a_100020588543_100000230768 [0,1,0,0,0,0|2,0,0]=3 3970 B12R0.142 CCSCCC(=O)NCC(C)CC 527a_100020588543_100000230768 [0,1,0,0,0,0|2,0,0]=3 3971 B12R0.142 CCSCCC(=O)NCC(C)CO 240690a_100000744482_100000230768 [0,1,0,0,0,0|3,0,0]=4 3972 B12R0.142 CCSCCC(=O)NCC(C)CO 527a_100000744482_100000230768 [0,1,0,0,0,0|3,0,0]=4 3973 B12R0.142 CCSCCC(=O)NCC(O)CC 11a_100011218483_100000230768 [0,1,0,0,0,0|2,0,0]=3 3974 B12R0.142 CCSCCC(=O)NCC(O)CC 240690a_100011218483_100000230768 [0,1,0,0,0,0|2,0,0]=3 3975 B12R0.142 CCSCCC(=O)NCC(O)CC 527a_100011218483_100000230768 [0,1,0,0,0,0|2,0,0]=3 3976 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000230768 [0,1,0,0,0,0|3,0,0]=4 3977 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000230768 [0,1,0,0,0,0|3,0,0]=4 3978 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000230768 [0,1,0,0,0,0|3,0,0]=4 3979 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000230768 [0,1,0,0,0,0|3,0,0]=4 3980 B12R0.142 CCSCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000230768 [0,1,0,0,0,0|3,0,0]=4 3981 B12R0.142 CCSCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000230768 [0,1,0,0,0,0|3,0,0]=4 3982 B12R0.142 CCSCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000230768 [0,1,0,0,0,0|3,0,0]=4 3983 B12R0.142 CCSCCC(=O)NC[C@H](O)CO 527a_100020644852_100000230768 [0,1,0,0,0,0|3,0,0]=4 3984 B12R0.142 CCSCCC(=O)NNC(C)CC 22a_100000718999_100000230768 [0,1,0,0,0,0|3,0,0]=4 3985 B12R0.142 CC[C@H](C)COC(C)CCCOC 34a_200011539412_100009816398 [0,1,0,0,0,0|2,0,1]=4 3986 B12R0.142 CC[C@H](C)COC(C)CCCOC 7a_200011539412_100009816398 [0,1,0,0,0,0|2,0,1]=4 3987 B12R0.142 COCCCC(=O)NCC(C)CO 240690a_100000744482_100000741012 [0,1,0,0,0,0|3,0,0]=4 3988 B12R0.142 COCCCC(=O)NCC(C)CO 527a_100000744482_100000741012 [0,1,0,0,0,0|3,0,0]=4 3989 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000741012 [0,1,0,0,0,0|3,0,0]=4 3990 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000741012 [0,1,0,0,0,0|3,0,0]=4 3991 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000741012 [0,1,0,0,0,0|3,0,0]=4 3992 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000741012 [0,1,0,0,0,0|3,0,0]=4 3993 B12R0.142 COCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000741012 [0,1,0,0,0,0|3,0,0]=4 3994 B12R0.142 COCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000741012 [0,1,0,0,0,0|3,0,0]=4 3995 B12R0.142 COCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000741012 [0,1,0,0,0,0|3,0,0]=4 3996 B12R0.142 COCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000741012 [0,1,0,0,0,0|3,0,0]=4 3997 B12R0.142 COCCOC(=O)CN[C@H](C)CO 2230a_100000737577_200000040189 [0,1,0,0,0,0|3,0,0]=4 3998 B12R0.142 COCCOC(=O)COC(C)CF 34a_100016041109_200000040189 [0,1,0,0,0,0|3,0,0]=4 3999 B12R0.142 COCCOC(=O)COC(C)CF 7a_100016041109_200000040189 [0,1,0,0,0,0|3,0,0]=4 4000 B12R0.142 COCCOC(=O)COC(C)CN 34a_100000210904_200000040189 [0,1,0,0,0,0|3,0,0]=4 4001 B12R0.142 COCCOC(=O)CSC(C)CO 62a_100012180447_200000040189 [0,1,0,0,0,0|3,0,0]=4 4002 B12R0.142 COCCOC(=O)CSC(C)OC 62a_100009879195_200000040189 [0,1,0,0,0,0|3,0,0]=4 4003 B12R0.142 COCCOC(=O)CSC(C)OC 62a_200000040189_100009879195 [0,1,0,0,0,0|3,0,0]=4 4004 B12R0.142 COCCOC(=O)CS[C@H](C)CO 62a_100016084084_200000040189 [0,1,0,0,0,0|3,0,0]=4 4005 B12R0.142 COCCOC(=O)CS[C@H](C)CO 62a_200000040189_100016084084 [0,1,0,0,0,0|3,0,0]=4 4006 B12R0.142 CO[C@H](C)CNC(=O)CCCCO 1626a_100020591295_100000695505 [0,1,0,0,0,0|3,0,0]=4 4007 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 11a_100020591295_100000173376 [0,1,0,0,0,0|3,0,0]=4 4008 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 1626a_100020591295_100000173376 [0,1,0,0,0,0|3,0,0]=4 4009 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 240690a_100020591295_100000173376 [0,1,0,0,0,0|3,0,0]=4 4010 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 527a_100020591295_100000173376 [0,1,0,0,0,0|3,0,0]=4 4011 B12R0.142 CSCCCC(=O)NCC(C)CO 240690a_100000744482_100000173376 [0,1,0,0,0,0|3,0,0]=4 4012 B12R0.142 CSCCCC(=O)NCC(C)CO 527a_100000744482_100000173376 [0,1,0,0,0,0|3,0,0]=4 4013 B12R0.142 CSCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000173376 [0,1,0,0,0,0|3,0,0]=4 4014 B12R0.142 CSCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000173376 [0,1,0,0,0,0|3,0,0]=4 4015 B12R0.142 CSCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000173376 [0,1,0,0,0,0|3,0,0]=4 4016 B12R0.142 CSCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000173376 [0,1,0,0,0,0|3,0,0]=4 4017 B12R0.233 C#CCCCC(=O)CCCC(C)C 1458a_100000690238_100011214892 [0,1,0,0,0,0|1,0,2]=4 4018 B12R0.233 C#CCCCC(=O)CCCC(C)C 1458a_100011216857_100000731252 [0,1,0,0,0,0|1,0,2]=4 4019 B12R0.233 C#CCCCC(=O)CCCC(C)O 1458a_100000690238_200000718107 [0,1,0,0,0,0|1,0,2]=4 4020 B12R0.233 C#CCCCC(=O)NCCC(C)C 11a_100000210545_100000690238 [0,1,0,0,0,0|1,0,2]=4 4021 B12R0.233 C#CCCCC(=O)NCCC(C)C 1626a_100000210545_100000690238 [0,1,0,0,0,0|1,0,2]=4 4022 B12R0.233 C#CCCCC(=O)NCCC(C)C 240690a_100000210545_100000690238 [0,1,0,0,0,0|1,0,2]=4 4023 B12R0.233 C#CCCCC(=O)NCCC(C)C 527a_100000210545_100000690238 [0,1,0,0,0,0|1,0,2]=4 4024 B12R0.233 C#CCCCC(=O)NCCC(C)O 240690a_200000755665_100000690238 [0,1,0,0,0,0|1,0,2]=4 4025 B12R0.233 C#CCCCC(=O)NCCC(C)O 527a_200000755665_100000690238 [0,1,0,0,0,0|1,0,2]=4 4026 B12R0.233 C#CCCNC(=O)CCCC(C)C 11a_100000755551_100011216857 [0,1,0,0,0,0|1,0,2]=4 4027 B12R0.233 C#CCCNC(=O)CCCC(C)C 1626a_100000755551_100011216857 [0,1,0,0,0,0|1,0,2]=4 4028 B12R0.233 C#CCCNC(=O)CCCC(C)C 240690a_100000755551_100011216857 [0,1,0,0,0,0|1,0,2]=4 4029 B12R0.233 C#CCCNC(=O)CCCC(C)C 527a_100000755551_100011216857 [0,1,0,0,0,0|1,0,2]=4 4030 B12R0.233 C#CCCNC(=O)CCCC(C)O 1626a_100000755551_100000761597 [0,1,0,0,0,0|1,0,2]=4 4031 B12R0.233 C#CCCNC(=O)CCCC(C)O 527a_100000755551_100000761597 [0,1,0,0,0,0|1,0,2]=4 4032 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100000764851_200011218191 [0,1,0,0,0,0|1,0,2]=4 4033 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100011215632_100000730704 [0,1,0,0,0,0|1,0,2]=4 4034 B12R0.233 C=C(C)CCOC(C)CCCCC 7a_100011215632_100000730704 [0,1,0,0,0,0|1,0,2]=4 4035 B12R0.233 C=C(C)CNNC(=O)CCCCC 22a_100000729518_100000212188 [0,1,0,0,0,0|2,0,1]=4 4036 B12R0.233 C=C(C)COCC(=O)CCCCC 34a_100000210245_200012276598 [0,1,0,0,0,0|2,0,1]=4 4037 B12R0.233 C=C(C)COCC(=O)NCCCC 34a_100000210245_100000182744 [0,1,0,0,0,0|2,0,1]=4 4038 B12R0.233 C=C(C)COCC(=O)OCCCC 34a_100000210245_100000211628 [0,1,0,0,0,0|1,0,1]=3 4039 B12R0.233 C=C(C)COCC(=O)OCCOC 34a_100000210245_200000040189 [0,1,0,0,0,0|2,0,1]=4 4040 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_100000748629_200012276598 [0,1,0,0,0,0|2,0,1]=4 4041 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_200012276598_100000211660 [0,1,0,0,0,0|2,0,1]=4 4042 B12R0.233 C=C(C)CSCC(=O)NCCCC 62a_100000182744_100000211660 [0,1,0,0,0,0|2,0,1]=4 4043 B12R0.233 C=C(C)CSCC(=O)NCCCC 62a_100000748629_100000182744 [0,1,0,0,0,0|2,0,1]=4 4044 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000211628_100000211660 [0,1,0,0,0,0|1,0,1]=3 4045 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000748629_100000211628 [0,1,0,0,0,0|1,0,1]=3 4046 B12R0.233 C=C(C)CSCC(=O)OCCOC 62a_100000748629_200000040189 [0,1,0,0,0,0|2,0,1]=4 4047 B12R0.233 C=C(C)CSCC(=O)OCCOC 62a_200000040189_100000211660 [0,1,0,0,0,0|2,0,1]=4 4048 B12R0.233 C=C(F)COCC(=O)OCCCC 34a_200010262243_100000211628 [0,1,0,0,0,0|1,0,2]=4 4049 B12R0.233 C=C(F)CSCC(=O)OCCCC 62a_100000042424_100000211628 [0,1,0,0,0,0|1,0,2]=4 4050 B12R0.233 C=C(F)CSCC(=O)OCCCC 62a_100000211628_100000042424 [0,1,0,0,0,0|1,0,2]=4 4051 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100000766728_100011214892 [0,1,0,0,0,0|1,0,2]=4 4052 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100011216857_100000757094 [0,1,0,0,0,0|1,0,2]=4 4053 B12R0.233 C=CCCCC(=O)CCCC(C)O 1458a_100000766728_200000718107 [0,1,0,0,0,0|1,0,2]=4 4054 B12R0.233 C=CCCCC(=O)NCCC(C)C 11a_100000210545_100000766728 [0,1,0,0,0,0|1,0,2]=4 4055 B12R0.233 C=CCCCC(=O)NCCC(C)C 1626a_100000210545_100000766728 [0,1,0,0,0,0|1,0,2]=4 4056 B12R0.233 C=CCCCC(=O)NCCC(C)C 240690a_100000210545_100000766728 [0,1,0,0,0,0|1,0,2]=4 4057 B12R0.233 C=CCCCC(=O)NCCC(C)C 527a_100000210545_100000766728 [0,1,0,0,0,0|1,0,2]=4 4058 B12R0.233 C=CCCCC(=O)NCCC(C)O 240690a_200000755665_100000766728 [0,1,0,0,0,0|1,0,2]=4 4059 B12R0.233 C=CCCCC(=O)NCCC(C)O 527a_200000755665_100000766728 [0,1,0,0,0,0|1,0,2]=4 4060 B12R0.233 C=CCCNC(=O)CCCC(C)C 11a_100015191253_100011216857 [0,1,0,0,0,0|1,0,2]=4 4061 B12R0.233 C=CCCNC(=O)CCCC(C)C 1626a_100015191253_100011216857 [0,1,0,0,0,0|1,0,2]=4 4062 B12R0.233 C=CCCNC(=O)CCCC(C)C 240690a_100015191253_100011216857 [0,1,0,0,0,0|1,0,2]=4 4063 B12R0.233 C=CCCNC(=O)CCCC(C)C 527a_100015191253_100011216857 [0,1,0,0,0,0|1,0,2]=4 4064 B12R0.233 C=CCCNC(=O)CCCC(C)O 1626a_100015191253_100000761597 [0,1,0,0,0,0|1,0,2]=4 4065 B12R0.233 C=CCCNC(=O)CCCC(C)O 527a_100015191253_100000761597 [0,1,0,0,0,0|1,0,2]=4 4066 B12R0.233 CC#CCNC(=O)CCCC(C)C 11a_100000685387_100011216857 [0,1,0,0,0,0|1,0,2]=4 4067 B12R0.233 CC#CCNC(=O)CCCC(C)C 1626a_100000685387_100011216857 [0,1,0,0,0,0|1,0,2]=4 4068 B12R0.233 CC#CCNC(=O)CCCC(C)C 527a_100000685387_100011216857 [0,1,0,0,0,0|1,0,2]=4 4069 B12R0.233 CC#CCNC(=O)CCCC(C)O 1626a_100000685387_100000761597 [0,1,0,0,0,0|1,0,2]=4 4070 B12R0.233 CC#CCNC(=O)CCCC(C)O 527a_100000685387_100000761597 [0,1,0,0,0,0|1,0,2]=4 4071 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,1,0,0,0,0|2,0,1]=4 4072 B12R0.233 CC(C)CCCC(=O)CCCC#N 1458a_100000075515_100011214892 [0,1,0,0,0,0|2,0,1]=4 4073 B12R0.233 CC(C)CCCC(=O)CCCC#N 1458a_100011216857_100000211468 [0,1,0,0,0,0|2,0,1]=4 4074 B12R0.233 CC(C)CCCC(=O)CCCCF 1458a_100011216857_100000729493 [0,1,0,0,0,0|2,0,0]=3 4075 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100000695505_100011214892 [0,1,0,0,0,0|2,0,0]=3 4076 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100011216857_100000210776 [0,1,0,0,0,0|2,0,0]=3 4077 B12R0.233 CC(C)CCCC(=O)COCCO 1458a_100000708028_100011214892 [0,1,0,0,0,0|3,0,0]=4 4078 B12R0.233 CC(C)CCCC(=O)NCCC#N 11a_100000720768_100011216857 [0,1,0,0,0,0|2,0,1]=4 4079 B12R0.233 CC(C)CCCC(=O)NCCC#N 1626a_100000720768_100011216857 [0,1,0,0,0,0|2,0,1]=4 4080 B12R0.233 CC(C)CCCC(=O)NCCC#N 240690a_100000720768_100011216857 [0,1,0,0,0,0|2,0,1]=4 4081 B12R0.233 CC(C)CCCC(=O)NCCC#N 527a_100000720768_100011216857 [0,1,0,0,0,0|2,0,1]=4 4082 B12R0.233 CC(C)CCCC(=O)NCCCF 11a_100015189416_100011216857 [0,1,0,0,0,0|2,0,0]=3 4083 B12R0.233 CC(C)CCCC(=O)NCCCF 1626a_100015189416_100011216857 [0,1,0,0,0,0|2,0,0]=3 4084 B12R0.233 CC(C)CCCC(=O)NCCCF 240690a_100015189416_100011216857 [0,1,0,0,0,0|2,0,0]=3 4085 B12R0.233 CC(C)CCCC(=O)NCCCF 527a_100015189416_100011216857 [0,1,0,0,0,0|2,0,0]=3 4086 B12R0.233 CC(C)CCCC(=O)NCCCO 240690a_100000182051_100011216857 [0,1,0,0,0,0|2,0,0]=3 4087 B12R0.233 CC(C)CCCC(=O)NCCCO 527a_100000182051_100011216857 [0,1,0,0,0,0|2,0,0]=3 4088 B12R0.233 CC(C)CCCC(=O)NNCCO 22a_100000210001_100011216857 [0,1,0,0,0,0|3,0,0]=4 4089 B12R0.233 CC(C)CCCC(C)OCCCF 34a_200011218570_100011934791 [0,1,0,0,0,0|2,0,1]=4 4090 B12R0.233 CC(C)CCCC(C)OCCCF 7a_200011218570_100011934791 [0,1,0,0,0,0|2,0,1]=4 4091 B12R0.233 CC(C)CCCC(C)OCCCO 34a_200011218570_100000230001 [0,1,0,0,0,0|2,0,1]=4 4092 B12R0.233 CC(C)CCCC(C)OCCCO 7a_200011218570_100011215043 [0,1,0,0,0,0|2,0,1]=4 4093 B12R0.233 CC(C)CCNC(=O)CCCC#N 11a_100000210545_100000075515 [0,1,0,0,0,0|2,0,1]=4 4094 B12R0.233 CC(C)CCNC(=O)CCCC#N 1626a_100000210545_100000075515 [0,1,0,0,0,0|2,0,1]=4 4095 B12R0.233 CC(C)CCNC(=O)CCCC#N 240690a_100000210545_100000075515 [0,1,0,0,0,0|2,0,1]=4 4096 B12R0.233 CC(C)CCNC(=O)CCCC#N 527a_100000210545_100000075515 [0,1,0,0,0,0|2,0,1]=4 4097 B12R0.233 CC(C)CCNC(=O)CCCCO 1626a_100000210545_100000695505 [0,1,0,0,0,0|2,0,0]=3 4098 B12R0.233 CC(C)CCNC(=O)COCCO 1626a_100000210545_100000708028 [0,1,0,0,0,0|3,0,0]=4 4099 B12R0.233 CC(C)CCNC(=O)COCCO 240690a_100000210545_100000708028 [0,1,0,0,0,0|3,0,0]=4 4100 B12R0.233 CC(C)CCNC(=O)NCCCF 2708a_100000210545_100015189416 [0,1,0,0,0,0|3,0,0]=4 4101 B12R0.233 CC(C)CCNC(=O)NCCCF 2708a_100015189416_100000210545 [0,1,0,0,0,0|3,0,0]=4 4102 B12R0.233 CC(C)CCNC(=O)NCCCF 273464a_100000210545_100015189416 [0,1,0,0,0,0|3,0,0]=4 4103 B12R0.233 CC(C)CCNC(=O)NCCCF 273464a_100015189416_100000210545 [0,1,0,0,0,0|3,0,0]=4 4104 B12R0.233 CC(C)CCNC(=O)NCCCF 512a_100000210545_100015189416 [0,1,0,0,0,0|3,0,0]=4 4105 B12R0.233 CC(C)CCNC(=O)NCCCF 512a_100015189416_100000210545 [0,1,0,0,0,0|3,0,0]=4 4106 B12R0.233 CC(C)CCNC(=O)NCCCO 2708a_100000210545_100000182051 [0,1,0,0,0,0|3,0,0]=4 4107 B12R0.233 CC(C)CCNC(=O)NCCCO 273464a_100000182051_100000210545 [0,1,0,0,0,0|3,0,0]=4 4108 B12R0.233 CC(C)CCNC(=O)NCCCO 273464a_100000210545_100000182051 [0,1,0,0,0,0|3,0,0]=4 4109 B12R0.233 CC(C)CCNC(=O)NCCCO 512a_100000210545_100000182051 [0,1,0,0,0,0|3,0,0]=4 4110 B12R0.233 CC(C)COCC(=O)CCCCF 1458a_100011223364_100000729493 [0,1,0,0,0,0|3,0,0]=4 4111 B12R0.233 CC(C)COCC(=O)CCCCO 1458a_100011223364_100000210776 [0,1,0,0,0,0|3,0,0]=4 4112 B12R0.233 CC(C)COCC(=O)NCCCF 11a_100015189416_100011223364 [0,1,0,0,0,0|3,0,0]=4 4113 B12R0.233 CC(C)COCC(=O)NCCCF 1626a_100015189416_100011223364 [0,1,0,0,0,0|3,0,0]=4 4114 B12R0.233 CC(C)COCC(=O)NCCCF 240690a_100015189416_100011223364 [0,1,0,0,0,0|3,0,0]=4 4115 B12R0.233 CC(C)COCC(=O)NCCCF 527a_100015189416_100011223364 [0,1,0,0,0,0|3,0,0]=4 4116 B12R0.233 CC(C)COCC(=O)NCCCO 240690a_100000182051_100011223364 [0,1,0,0,0,0|3,0,0]=4 4117 B12R0.233 CC(C)COCC(=O)NCCCO 527a_100000182051_100011223364 [0,1,0,0,0,0|3,0,0]=4 4118 B12R0.233 CC(C)OCCC(=O)CCCCO 1458a_100000695505_100000211751 [0,1,0,0,0,0|3,0,0]=4 4119 B12R0.233 CC(C)SCCC(=O)CCCCO 1458a_100000695505_100000730970 [0,1,0,0,0,0|3,0,0]=4 4120 B12R0.233 CC(O)CCCC(=O)CCCC#N 1458a_100000075515_200000718107 [0,1,0,0,0,0|2,0,1]=4 4121 B12R0.233 CC(O)CCCC(=O)CCCCO 1458a_100000695505_200000718107 [0,1,0,0,0,0|2,0,0]=3 4122 B12R0.233 CC(O)CCCC(=O)COCCO 1458a_100000708028_200000718107 [0,1,0,0,0,0|3,0,0]=4 4123 B12R0.233 CC(O)CCCC(=O)NCCC#N 1626a_100000720768_100000761597 [0,1,0,0,0,0|2,0,1]=4 4124 B12R0.233 CC(O)CCCC(=O)NCCC#N 527a_100000720768_100000761597 [0,1,0,0,0,0|2,0,1]=4 4125 B12R0.233 CC(O)CCCC(=O)NCCCF 1626a_100015189416_100000761597 [0,1,0,0,0,0|2,0,0]=3 4126 B12R0.233 CC(O)CCCC(=O)NCCCF 527a_100015189416_100000761597 [0,1,0,0,0,0|2,0,0]=3 4127 B12R0.233 CC(O)CCCC(=O)NCCCO 527a_100000182051_100000761597 [0,1,0,0,0,0|2,0,0]=3 4128 B12R0.233 CC(O)CCCC(=O)NNCCO 22a_100000210001_100000761597 [0,1,0,0,0,0|3,0,0]=4 4129 B12R0.233 CC(O)CCNC(=O)CCCC#N 240690a_200000755665_100000075515 [0,1,0,0,0,0|2,0,1]=4 4130 B12R0.233 CC(O)CCNC(=O)CCCC#N 527a_200000755665_100000075515 [0,1,0,0,0,0|2,0,1]=4 4131 B12R0.233 CC(O)CCNC(=O)COCCO 240690a_200000755665_100000708028 [0,1,0,0,0,0|3,0,0]=4 4132 B12R0.233 CC(O)CCNC(=O)NCCCF 2708a_100015189416_200000755665 [0,1,0,0,0,0|3,0,0]=4 4133 B12R0.233 CC(O)CCNC(=O)NCCCF 273464a_200000755665_100015189416 [0,1,0,0,0,0|3,0,0]=4 4134 B12R0.233 CC(O)CCNC(=O)NCCCF 512a_100015189416_200000755665 [0,1,0,0,0,0|3,0,0]=4 4135 B12R0.233 CC(O)CCNC(=O)NCCCF 512a_200000755665_100015189416 [0,1,0,0,0,0|3,0,0]=4 4136 B12R0.233 CC(O)CCNC(=O)NCCCO 273464a_200000755665_100000182051 [0,1,0,0,0,0|3,0,0]=4 4137 B12R0.233 CC(O)CCNC(=O)NCCCO 512a_200000755665_100000182051 [0,1,0,0,0,0|3,0,0]=4 4138 B12R0.233 CC/C=C/CC(=O)CCCC(C)C 1458a_100016274230_100011214892 [0,1,0,0,0,0|1,0,2]=4 4139 B12R0.233 CC/C=C/CC(=O)CCCC(C)O 1458a_100016274230_200000718107 [0,1,0,0,0,0|1,0,2]=4 4140 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 11a_100000210545_100016274230 [0,1,0,0,0,0|1,0,2]=4 4141 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 1626a_100000210545_100016274230 [0,1,0,0,0,0|1,0,2]=4 4142 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 240690a_100000210545_100016274230 [0,1,0,0,0,0|1,0,2]=4 4143 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 527a_100000210545_100016274230 [0,1,0,0,0,0|1,0,2]=4 4144 B12R0.233 CC/C=C/CC(=O)NCCC(C)O 240690a_200000755665_100016274230 [0,1,0,0,0,0|1,0,2]=4 4145 B12R0.233 CC/C=C/CC(=O)NCCC(C)O 527a_200000755665_100016274230 [0,1,0,0,0,0|1,0,2]=4 4146 B12R0.233 CC/C=C\CC(=O)CCCC(C)C 1458a_100011216857_100103147603 [0,1,0,0,0,0|1,0,2]=4 4147 B12R0.233 CCC#CCC(=O)CCCC(C)C 1458a_100011216857_100009813939 [0,1,0,0,0,0|1,0,2]=4 4148 B12R0.233 CCCC#CC(=O)CCCC(=O)C 1458a_200011218047_100011215641 [0,1,0,0,0,0|1,0,2]=4 4149 B12R0.233 CCCC#CC(=O)CCCC(C)C 1458a_200011218047_100011214892 [0,1,0,0,0,0|1,0,1]=3 4150 B12R0.233 CCCC#CC(=O)CCCC(C)O 1458a_200011218047_200000718107 [0,1,0,0,0,0|1,0,1]=3 4151 B12R0.233 CCCC#CC(=O)CCCN(C)C 1458a_200011218047_100000695564 [0,1,0,0,0,0|2,0,1]=4 4152 B12R0.233 CCCC#CC(=O)CCOC(C)C 1458a_200011218047_100000211751 [0,1,0,0,0,0|2,0,1]=4 4153 B12R0.233 CCCC#CC(=O)CCSC(C)C 1458a_200011218047_100000730970 [0,1,0,0,0,0|2,0,1]=4 4154 B12R0.233 CCCC#CC(=O)NCCC(C)C 240690a_100000210545_200011218047 [0,1,0,0,0,0|1,0,2]=4 4155 B12R0.233 CCCC#CC(=O)NCCC(C)O 240690a_200000755665_200011218047 [0,1,0,0,0,0|1,0,2]=4 4156 B12R0.233 CCCC=CC(=O)CCCC(=O)C 1458a_100000212230_100011215641 [0,1,0,0,0,0|1,0,2]=4 4157 B12R0.233 CCCC=CC(=O)CCCC(C)C 1458a_100000212230_100011214892 [0,1,0,0,0,0|1,0,1]=3 4158 B12R0.233 CCCC=CC(=O)CCCC(C)O 1458a_100000212230_200000718107 [0,1,0,0,0,0|1,0,1]=3 4159 B12R0.233 CCCC=CC(=O)CCCN(C)C 1458a_100000212230_100000695564 [0,1,0,0,0,0|2,0,1]=4 4160 B12R0.233 CCCC=CC(=O)CCOC(C)C 1458a_100000212230_100000211751 [0,1,0,0,0,0|2,0,1]=4 4161 B12R0.233 CCCC=CC(=O)CCSC(C)C 1458a_100000212230_100000730970 [0,1,0,0,0,0|2,0,1]=4 4162 B12R0.233 CCCC=CC(=O)NCCC(C)C 11a_100000210545_100000212230 [0,1,0,0,0,0|1,0,2]=4 4163 B12R0.233 CCCC=CC(=O)NCCC(C)C 1626a_100000210545_100000212230 [0,1,0,0,0,0|1,0,2]=4 4164 B12R0.233 CCCC=CC(=O)NCCC(C)C 240690a_100000210545_100000212230 [0,1,0,0,0,0|1,0,2]=4 4165 B12R0.233 CCCC=CC(=O)NCCC(C)O 240690a_200000755665_100000212230 [0,1,0,0,0,0|1,0,2]=4 4166 B12R0.233 CCCCCC(=NNCC(C)O)C 4a_200000730056_100000211708 [0,1,0,0,0,0|3,0,0]=4 4167 B12R0.233 CCCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210326 [0,1,0,0,0,0|1,0,2]=4 4168 B12R0.233 CCCCCC(=O)C=CCN(C)C 1458a_100000754359_100000210326 [0,1,0,0,0,0|2,0,1]=4 4169 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [0,1,0,0,0,0|1,0,2]=4 4170 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,1,0,0,0,0|1,0,1]=3 4171 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,1,0,0,0,0|2,0,1]=4 4172 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100000212188_100011214892 [0,1,0,0,0,0|1,0,0]=2 4173 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210326 [0,1,0,0,0,0|1,0,0]=2 4174 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,1,0,0,0,0|1,0,0]=2 4175 B12R0.233 CCCCCC(=O)CCCN(C)C 1458a_100000212188_100000695564 [0,1,0,0,0,0|2,0,0]=3 4176 B12R0.233 CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210326 [0,1,0,0,0,0|3,0,0]=4 4177 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,1,0,0,0,0|2,0,1]=4 4178 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,1,0,0,0,0|2,0,1]=4 4179 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,1,0,0,0,0|2,0,1]=4 4180 B12R0.233 CCCCCC(=O)CCOC(C)C 1458a_100000212188_100000211751 [0,1,0,0,0,0|2,0,0]=3 4181 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,1,0,0,0,0|2,0,1]=4 4182 B12R0.233 CCCCCC(=O)CCSC(C)C 1458a_100000212188_100000730970 [0,1,0,0,0,0|2,0,0]=3 4183 B12R0.233 CCCCCC(=O)CNCC(C)C 2230a_100000210953_200012276598 [0,1,0,0,0,0|2,0,0]=3 4184 B12R0.233 CCCCCC(=O)CNCC(C)C 34a_100000210953_200012276598 [0,1,0,0,0,0|2,0,0]=3 4185 B12R0.233 CCCCCC(=O)CNCC(C)O 2230a_100000210904_200012276598 [0,1,0,0,0,0|2,0,0]=3 4186 B12R0.233 CCCCCC(=O)CNCC(C)O 34a_100000210904_200012276598 [0,1,0,0,0,0|2,0,0]=3 4187 B12R0.233 CCCCCC(=O)CNCC(F)F 34a_100000765723_200012276598 [0,1,0,0,0,0|3,0,0]=4 4188 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,1,0,0,0,0|2,0,1]=4 4189 B12R0.233 CCCCCC(=O)COCC(C)Br 34a_100012180447_200012276598 [0,1,0,0,0,0|2,0,0]=3 4190 B12R0.233 CCCCCC(=O)COCC(C)C 1458a_100011223364_100000210326 [0,1,0,0,0,0|2,0,0]=3 4191 B12R0.233 CCCCCC(=O)COCC(C)C 34a_100000210257_200012276598 [0,1,0,0,0,0|2,0,0]=3 4192 B12R0.233 CCCCCC(=O)COCC(C)F 34a_100015925927_200012276598 [0,1,0,0,0,0|2,0,0]=3 4193 B12R0.233 CCCCCC(=O)COCC(F)F 34a_100000743014_200012276598 [0,1,0,0,0,0|3,0,0]=4 4194 B12R0.233 CCCCCC(=O)COC[C@@H](C)Cl 34a_100016084084_200012276598 [0,1,0,0,0,0|2,0,0]=3 4195 B12R0.233 CCCCCC(=O)COC[C@@H](C)N 34a_100000737577_200012276598 [0,1,0,0,0,0|2,0,0]=3 4196 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_100000210624_200012276598 [0,1,0,0,0,0|2,0,0]=3 4197 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_200012276598_100000210760 [0,1,0,0,0,0|2,0,0]=3 4198 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_100011218427_200012276598 [0,1,0,0,0,0|2,0,0]=3 4199 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_200012276598_100011218427 [0,1,0,0,0,0|2,0,0]=3 4200 B12R0.233 CCCCCC(=O)CSCC(F)F 62a_100011934356_200012276598 [0,1,0,0,0,0|3,0,0]=4 4201 B12R0.233 CCCCCC(=O)CSCC(F)F 62a_200012276598_100011934356 [0,1,0,0,0,0|3,0,0]=4 4202 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_100009817552_200012276598 [0,1,0,0,0,0|2,0,0]=3 4203 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_200012276598_100009817552 [0,1,0,0,0,0|2,0,0]=3 4204 B12R0.233 CCCCCC(=O)NCC=C(C)C 11a_100000718196_100000212188 [0,1,0,0,0,0|1,0,2]=4 4205 B12R0.233 CCCCCC(=O)NCC=C(C)C 1626a_100000718196_100000212188 [0,1,0,0,0,0|1,0,2]=4 4206 B12R0.233 CCCCCC(=O)NCC=C(C)C 527a_100000718196_100000212188 [0,1,0,0,0,0|1,0,2]=4 4207 B12R0.233 CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000212188 [0,1,0,0,0,0|2,0,1]=4 4208 B12R0.233 CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000212188 [0,1,0,0,0,0|2,0,1]=4 4209 B12R0.233 CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000212188 [0,1,0,0,0,0|2,0,1]=4 4210 B12R0.233 CCCCCC(=O)NCCC(C)C 11a_100000210545_100000212188 [0,1,0,0,0,0|1,0,0]=2 4211 B12R0.233 CCCCCC(=O)NCCC(C)C 1626a_100000210545_100000212188 [0,1,0,0,0,0|1,0,0]=2 4212 B12R0.233 CCCCCC(=O)NCCC(C)C 240690a_100000210545_100000212188 [0,1,0,0,0,0|1,0,0]=2 4213 B12R0.233 CCCCCC(=O)NCCC(C)C 527a_100000210545_100000212188 [0,1,0,0,0,0|1,0,0]=2 4214 B12R0.233 CCCCCC(=O)NCCC(C)O 240690a_200000755665_100000212188 [0,1,0,0,0,0|1,0,0]=2 4215 B12R0.233 CCCCCC(=O)NCCC(C)O 527a_200000755665_100000212188 [0,1,0,0,0,0|1,0,0]=2 4216 B12R0.233 CCCCCC(=O)NCCN(C)C 240690a_100000210585_100000212188 [0,1,0,0,0,0|2,0,0]=3 4217 B12R0.233 CCCCCC(=O)NCCN(C)C 527a_100000210585_100000212188 [0,1,0,0,0,0|2,0,0]=3 4218 B12R0.233 CCCCCC(=O)NN=CC(C)C 4a_100000189784_100000210432 [0,1,0,0,0,0|2,0,1]=4 4219 B12R0.233 CCCCCC(=O)NNCC(C)C 22a_100000696102_100000212188 [0,1,0,0,0,0|2,0,0]=3 4220 B12R0.233 CCCCCC(=O)NNCC(C)O 22a_200000730056_100000212188 [0,1,0,0,0,0|2,0,0]=3 4221 B12R0.233 CCCCCC(C)NCCC(C)C 2230a_100000211957_100000210312 [0,1,0,0,0,0|2,0,1]=4 4222 B12R0.233 CCCCCC(C)NCCC(C)C 269862a_100000211957_100000185833 [0,1,0,0,0,0|2,0,1]=4 4223 B12R0.233 CCCCCC(C)NCCC(C)C 270004a_100000210545_100000211708 [0,1,0,0,0,0|2,0,1]=4 4224 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_100000211957_100012276601 [0,1,0,0,0,0|2,0,1]=4 4225 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_200000755665_200011218191 [0,1,0,0,0,0|2,0,1]=4 4226 B12R0.233 CCCCCC(C)NCCC(C)O 270004a_200000755665_100000211708 [0,1,0,0,0,0|2,0,1]=4 4227 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,1,0,0,0,0|1,0,2]=4 4228 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,1,0,0,0,0|1,0,2]=4 4229 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,1,0,0,0,0|1,0,2]=4 4230 B12R0.233 CCCCCC(C)OCCC(C)Br 34a_100009893172_200011218191 [0,1,0,0,0,0|1,0,1]=3 4231 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100000210254_200011218191 [0,1,0,0,0,0|1,0,1]=3 4232 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100011215632_100000210312 [0,1,0,0,0,0|1,0,1]=3 4233 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100000210254_200011218191 [0,1,0,0,0,0|1,0,1]=3 4234 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100011215632_100000210626 [0,1,0,0,0,0|1,0,1]=3 4235 B12R0.233 CCCCCC(C)OCCC(C)O 34a_100011215632_100012276601 [0,1,0,0,0,0|1,0,1]=3 4236 B12R0.233 CCCCCC(C)OCCC(C)O 7a_100011215632_100012276601 [0,1,0,0,0,0|1,0,1]=3 4237 B12R0.233 CCCCCC(C)OCCC(F)F 34a_100103093639_200011218191 [0,1,0,0,0,0|2,0,1]=4 4238 B12R0.233 CCCCCC(C)OCCN(C)C 7a_100011215632_100000755713 [0,1,0,0,0,0|2,0,1]=4 4239 B12R0.233 CCCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011218191 [0,1,0,0,0,0|1,0,1]=3 4240 B12R0.233 CCCCCC(C)OCOC(C)C 34a_100011215632_100000709892 [0,1,0,0,0,0|2,0,1]=4 4241 B12R0.233 CCCCCC(C)SCCC(C)C 62a_100000210312_200011218191 [0,1,0,0,0,0|1,1,1]=4 4242 B12R0.233 CCCCCC(C)SCCC(C)C 62a_200011218191_100000210312 [0,1,0,0,0,0|1,1,1]=4 4243 B12R0.233 CCCCCC(C)SCCC(C)O 62a_100012276601_200011218191 [0,1,0,0,0,0|1,1,1]=4 4244 B12R0.233 CCCCCC(C)SCCC(C)O 62a_200011218191_100012276601 [0,1,0,0,0,0|1,1,1]=4 4245 B12R0.233 CCCCCN(C)CCCC(C)C 2230a_100000223495_100011214892 [0,1,0,0,0,0|3,0,0]=4 4246 B12R0.233 CCCCCN(C)CCCC(C)C 269982a_100000223495_100011214892 [0,1,0,0,0,0|3,0,0]=4 4247 B12R0.233 CCCCCN(C)CCCC(C)O 2230a_100000223495_200000718107 [0,1,0,0,0,0|3,0,0]=4 4248 B12R0.233 CCCCCN(C)CCCC(C)O 269982a_100000223495_200000718107 [0,1,0,0,0,0|3,0,0]=4 4249 B12R0.233 CCCCNC(=O)C/C=C/C(C)C 11a_100000102301_100016292215 [0,1,0,0,0,0|1,0,2]=4 4250 B12R0.233 CCCCNC(=O)C/C=C/C(C)C 1626a_100000102301_100016292215 [0,1,0,0,0,0|1,0,2]=4 4251 B12R0.233 CCCCNC(=O)C/C=C/C(C)C 240690a_100000102301_100016292215 [0,1,0,0,0,0|1,0,2]=4 4252 B12R0.233 CCCCNC(=O)CCCC(C)C 11a_100000102301_100011216857 [0,1,0,0,0,0|1,0,0]=2 4253 B12R0.233 CCCCNC(=O)CCCC(C)C 1626a_100000102301_100011216857 [0,1,0,0,0,0|1,0,0]=2 4254 B12R0.233 CCCCNC(=O)CCCC(C)C 240690a_100000102301_100011216857 [0,1,0,0,0,0|1,0,0]=2 4255 B12R0.233 CCCCNC(=O)CCCC(C)C 527a_100000102301_100011216857 [0,1,0,0,0,0|1,0,0]=2 4256 B12R0.233 CCCCNC(=O)CCCC(C)O 1626a_100000102301_100000761597 [0,1,0,0,0,0|1,0,0]=2 4257 B12R0.233 CCCCNC(=O)CCCC(C)O 527a_100000102301_100000761597 [0,1,0,0,0,0|1,0,0]=2 4258 B12R0.233 CCCCNC(=O)CCCN(C)C 11a_100000102301_100000740757 [0,1,0,0,0,0|2,0,0]=3 4259 B12R0.233 CCCCNC(=O)CCCN(C)C 240690a_100000102301_100000740757 [0,1,0,0,0,0|2,0,0]=3 4260 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 11a_100000102301_100016109205 [0,1,0,0,0,0|3,0,0]=4 4261 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000102301_100016109205 [0,1,0,0,0,0|3,0,0]=4 4262 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000102301_100016109205 [0,1,0,0,0,0|3,0,0]=4 4263 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 527a_100000102301_100016109205 [0,1,0,0,0,0|3,0,0]=4 4264 B12R0.233 CCCCNC(=O)CCNC(=O)C 11a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 4265 B12R0.233 CCCCNC(=O)CCNC(=O)C 1626a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 4266 B12R0.233 CCCCNC(=O)CCNC(=O)C 240690a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 4267 B12R0.233 CCCCNC(=O)CCNC(=O)C 527a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 4268 B12R0.233 CCCCNC(=O)CCSC(=O)C 1626a_100000102301_100000048949 [0,1,0,0,0,0|2,0,1]=4 4269 B12R0.233 CCCCNC(=O)CCSC(=O)C 240690a_100000102301_100000048949 [0,1,0,0,0,0|2,0,1]=4 4270 B12R0.233 CCCCNC(=O)CNCC(C)C 2230a_100000210953_100000182744 [0,1,0,0,0,0|2,0,0]=3 4271 B12R0.233 CCCCNC(=O)CNCC(C)C 34a_100000210953_100000182744 [0,1,0,0,0,0|2,0,0]=3 4272 B12R0.233 CCCCNC(=O)CNCC(C)O 2230a_100000210904_100000182744 [0,1,0,0,0,0|2,0,0]=3 4273 B12R0.233 CCCCNC(=O)CNCC(C)O 34a_100000210904_100000182744 [0,1,0,0,0,0|2,0,0]=3 4274 B12R0.233 CCCCNC(=O)CNCC(F)F 34a_100000765723_100000182744 [0,1,0,0,0,0|3,0,0]=4 4275 B12R0.233 CCCCNC(=O)COCC(=O)C 34a_100000211253_100000182744 [0,1,0,0,0,0|2,0,1]=4 4276 B12R0.233 CCCCNC(=O)COCC(C)Br 34a_100012180447_100000182744 [0,1,0,0,0,0|2,0,0]=3 4277 B12R0.233 CCCCNC(=O)COCC(C)C 11a_100000102301_100011223364 [0,1,0,0,0,0|2,0,0]=3 4278 B12R0.233 CCCCNC(=O)COCC(C)C 1626a_100000102301_100011223364 [0,1,0,0,0,0|2,0,0]=3 4279 B12R0.233 CCCCNC(=O)COCC(C)C 240690a_100000102301_100011223364 [0,1,0,0,0,0|2,0,0]=3 4280 B12R0.233 CCCCNC(=O)COCC(C)C 34a_100000210257_100000182744 [0,1,0,0,0,0|2,0,0]=3 4281 B12R0.233 CCCCNC(=O)COCC(C)C 527a_100000102301_100011223364 [0,1,0,0,0,0|2,0,0]=3 4282 B12R0.233 CCCCNC(=O)COCC(C)F 34a_100015925927_100000182744 [0,1,0,0,0,0|2,0,0]=3 4283 B12R0.233 CCCCNC(=O)COCC(F)F 34a_100000743014_100000182744 [0,1,0,0,0,0|3,0,0]=4 4284 B12R0.233 CCCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000182744 [0,1,0,0,0,0|2,0,0]=3 4285 B12R0.233 CCCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000182744 [0,1,0,0,0,0|2,0,0]=3 4286 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000182744_100000210760 [0,1,0,0,0,0|2,0,0]=3 4287 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000210624_100000182744 [0,1,0,0,0,0|2,0,0]=3 4288 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100000182744_100011218427 [0,1,0,0,0,0|2,0,0]=3 4289 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100011218427_100000182744 [0,1,0,0,0,0|2,0,0]=3 4290 B12R0.233 CCCCNC(=O)CSCC(F)F 62a_100000182744_100011934356 [0,1,0,0,0,0|3,0,0]=4 4291 B12R0.233 CCCCNC(=O)CSCC(F)F 62a_100011934356_100000182744 [0,1,0,0,0,0|3,0,0]=4 4292 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100000182744_100009817552 [0,1,0,0,0,0|2,0,0]=3 4293 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000182744 [0,1,0,0,0,0|2,0,0]=3 4294 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000102301_100000210545 [0,1,0,0,0,0|2,0,0]=3 4295 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000210545_100000102301 [0,1,0,0,0,0|2,0,0]=3 4296 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000102301_100000210545 [0,1,0,0,0,0|2,0,0]=3 4297 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000210545_100000102301 [0,1,0,0,0,0|2,0,0]=3 4298 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000102301_100000210545 [0,1,0,0,0,0|2,0,0]=3 4299 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000210545_100000102301 [0,1,0,0,0,0|2,0,0]=3 4300 B12R0.233 CCCCNC(=O)NCCC(C)O 2708a_100000102301_200000755665 [0,1,0,0,0,0|2,0,0]=3 4301 B12R0.233 CCCCNC(=O)NCCC(C)O 273464a_200000755665_100000102301 [0,1,0,0,0,0|2,0,0]=3 4302 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_100000102301_200000755665 [0,1,0,0,0,0|2,0,0]=3 4303 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_200000755665_100000102301 [0,1,0,0,0,0|2,0,0]=3 4304 B12R0.233 CCCCNC(=O)NCCN(C)C 2708a_100000102301_100000210585 [0,1,0,0,0,0|3,0,0]=4 4305 B12R0.233 CCCCNC(=O)NCCN(C)C 273464a_100000102301_100000210585 [0,1,0,0,0,0|3,0,0]=4 4306 B12R0.233 CCCCNC(=O)NCCN(C)C 273464a_100000210585_100000102301 [0,1,0,0,0,0|3,0,0]=4 4307 B12R0.233 CCCCNC(=O)NCCN(C)C 512a_100000102301_100000210585 [0,1,0,0,0,0|3,0,0]=4 4308 B12R0.233 CCCCNC(=O)NNCC(C)C 273464a_100000102301_100000696102 [0,1,0,0,0,0|3,0,0]=4 4309 B12R0.233 CCCCNC(=O)NNCC(C)C 512a_100000102301_100000696102 [0,1,0,0,0,0|3,0,0]=4 4310 B12R0.233 CCCCNC(=O)NNCC(C)C 512a_100000696102_100000102301 [0,1,0,0,0,0|3,0,0]=4 4311 B12R0.233 CCCCNC(=O)NNCC(C)O 512a_100000102301_200000730056 [0,1,0,0,0,0|3,0,0]=4 4312 B12R0.233 CCCCNC(=O)NNCC(C)O 512a_200000730056_100000102301 [0,1,0,0,0,0|3,0,0]=4 4313 B12R0.233 CCCCNC(C)CCCC(C)C 2230a_100000210607_100000210211 [0,1,0,0,0,0|2,0,1]=4 4314 B12R0.233 CCCCNC(C)CCCC(C)C 270004a_100000102301_100000753411 [0,1,0,0,0,0|2,0,1]=4 4315 B12R0.233 CCCCOC(=O)CNCC(=O)N 2230a_100000711301_100000211628 [0,1,0,0,0,0|2,0,1]=4 4316 B12R0.233 CCCCOC(=O)CNCC(=O)O 269956a_100016091260_100000211628 [0,1,0,0,0,0|2,0,1]=4 4317 B12R0.233 CCCCOC(=O)CNCC(C)C 2230a_100000210953_100000211628 [0,1,0,0,0,0|1,0,0]=2 4318 B12R0.233 CCCCOC(=O)CNCC(C)C 34a_100000210953_100000211628 [0,1,0,0,0,0|1,0,0]=2 4319 B12R0.233 CCCCOC(=O)CNCC(C)O 2230a_100000210904_100000211628 [0,1,0,0,0,0|1,0,0]=2 4320 B12R0.233 CCCCOC(=O)CNCC(C)O 34a_100000210904_100000211628 [0,1,0,0,0,0|1,0,0]=2 4321 B12R0.233 CCCCOC(=O)CNCC(F)F 34a_100000765723_100000211628 [0,1,0,0,0,0|2,0,0]=3 4322 B12R0.233 CCCCOC(=O)COCC(=O)C 34a_100000211253_100000211628 [0,1,0,0,0,0|1,0,1]=3 4323 B12R0.233 CCCCOC(=O)COCC(C)Br 34a_100012180447_100000211628 [0,1,0,0,0,0|1,0,0]=2 4324 B12R0.233 CCCCOC(=O)COCC(C)C 34a_100000210257_100000211628 [0,1,0,0,0,0|1,0,0]=2 4325 B12R0.233 CCCCOC(=O)COCC(C)F 34a_100015925927_100000211628 [0,1,0,0,0,0|1,0,0]=2 4326 B12R0.233 CCCCOC(=O)COCC(F)F 34a_100000743014_100000211628 [0,1,0,0,0,0|2,0,0]=3 4327 B12R0.233 CCCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000211628 [0,1,0,0,0,0|1,0,0]=2 4328 B12R0.233 CCCCOC(=O)COC[C@@H](C)N 34a_100000737577_100000211628 [0,1,0,0,0,0|1,0,0]=2 4329 B12R0.233 CCCCOC(=O)CSCC(=O)N 62a_100000211628_100000747473 [0,1,0,0,0,0|2,0,1]=4 4330 B12R0.233 CCCCOC(=O)CSCC(=O)N 62a_100000747473_100000211628 [0,1,0,0,0,0|2,0,1]=4 4331 B12R0.233 CCCCOC(=O)CSCC(=O)[O-] 62a_100000211628_100020667443 [0,1,0,0,0,0|2,0,1]=4 4332 B12R0.233 CCCCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000211628 [0,1,0,0,0,0|2,0,1]=4 4333 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000210624_100000211628 [0,1,0,0,0,0|1,0,0]=2 4334 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000211628_100000210760 [0,1,0,0,0,0|1,0,0]=2 4335 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100000211628_100011218427 [0,1,0,0,0,0|1,0,0]=2 4336 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100011218427_100000211628 [0,1,0,0,0,0|1,0,0]=2 4337 B12R0.233 CCCCOC(=O)CSCC(F)F 62a_100000211628_100011934356 [0,1,0,0,0,0|2,0,0]=3 4338 B12R0.233 CCCCOC(=O)CSCC(F)F 62a_100011934356_100000211628 [0,1,0,0,0,0|2,0,0]=3 4339 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100000211628_100009817552 [0,1,0,0,0,0|1,0,0]=2 4340 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000211628 [0,1,0,0,0,0|1,0,0]=2 4341 B12R0.233 CCCCOC(=O)CSC[N+](=O)[O-] 62a_100000211628_100000761209 [0,1,0,0,0,0|3,0,0]=4 4342 B12R0.233 CCCCOC(C)CCCC(C)C 34a_200011218570_100000210210 [0,1,0,0,0,0|1,0,1]=3 4343 B12R0.233 CCCCOC(C)CCCC(C)C 7a_200011218570_100000210211 [0,1,0,0,0,0|1,0,1]=3 4344 B12R0.233 CCCNN=C(C)CCCC(C)C 4a_100000740057_100000753411 [0,1,0,0,0,0|3,0,0]=4 4345 B12R0.233 CCCNNC(=O)CCCC(C)C 22a_100000740057_100011216857 [0,1,0,0,0,0|2,0,0]=3 4346 B12R0.233 CCCNNC(=O)CCCC(C)O 22a_100000740057_100000761597 [0,1,0,0,0,0|2,0,0]=3 4347 B12R0.233 CCCNNC(=O)CCCN(C)C 22a_100000740057_100000740757 [0,1,0,0,0,0|3,0,0]=4 4348 B12R0.233 CCCNNC(=O)COCC(C)C 22a_100000740057_100011223364 [0,1,0,0,0,0|3,0,0]=4 4349 B12R0.233 CCCNNC(=O)NCCC(C)C 273464a_100000210545_100000740057 [0,1,0,0,0,0|3,0,0]=4 4350 B12R0.233 CCCNNC(=O)NCCC(C)C 512a_100000210545_100000740057 [0,1,0,0,0,0|3,0,0]=4 4351 B12R0.233 CCCNNC(=O)NCCC(C)C 512a_100000740057_100000210545 [0,1,0,0,0,0|3,0,0]=4 4352 B12R0.233 CCCNNC(=O)NCCC(C)O 273464a_200000755665_100000740057 [0,1,0,0,0,0|3,0,0]=4 4353 B12R0.233 CCCNNC(=O)NCCC(C)O 512a_100000740057_200000755665 [0,1,0,0,0,0|3,0,0]=4 4354 B12R0.233 CCCNNC(=O)NCCC(C)O 512a_200000755665_100000740057 [0,1,0,0,0,0|3,0,0]=4 4355 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,1,0,0,0,0|2,0,1]=4 4356 B12R0.233 CCCOCC(=O)CCCC(C)C 1458a_100000745993_100011214892 [0,1,0,0,0,0|2,0,0]=3 4357 B12R0.233 CCCOCC(=O)CCCC(C)O 1458a_100000745993_200000718107 [0,1,0,0,0,0|2,0,0]=3 4358 B12R0.233 CCCOCC(=O)CCCN(C)C 1458a_100000745993_100000695564 [0,1,0,0,0,0|3,0,0]=4 4359 B12R0.233 CCCOCC(=O)CCOC(C)C 1458a_100000745993_100000211751 [0,1,0,0,0,0|3,0,0]=4 4360 B12R0.233 CCCOCC(=O)CCSC(C)C 1458a_100000745993_100000730970 [0,1,0,0,0,0|3,0,0]=4 4361 B12R0.233 CCCOCC(=O)NCCC(C)C 11a_100000210545_100000745993 [0,1,0,0,0,0|2,0,0]=3 4362 B12R0.233 CCCOCC(=O)NCCC(C)C 1626a_100000210545_100000745993 [0,1,0,0,0,0|2,0,0]=3 4363 B12R0.233 CCCOCC(=O)NCCC(C)C 240690a_100000210545_100000745993 [0,1,0,0,0,0|2,0,0]=3 4364 B12R0.233 CCCOCC(=O)NCCC(C)C 527a_100000210545_100000745993 [0,1,0,0,0,0|2,0,0]=3 4365 B12R0.233 CCCOCC(=O)NCCC(C)O 240690a_200000755665_100000745993 [0,1,0,0,0,0|2,0,0]=3 4366 B12R0.233 CCCOCC(=O)NCCC(C)O 527a_200000755665_100000745993 [0,1,0,0,0,0|2,0,0]=3 4367 B12R0.233 CCCOCC(=O)NCCN(C)C 240690a_100000210585_100000745993 [0,1,0,0,0,0|3,0,0]=4 4368 B12R0.233 CCCOCC(=O)NCCN(C)C 527a_100000210585_100000745993 [0,1,0,0,0,0|3,0,0]=4 4369 B12R0.233 CCCOCC(=O)NNCC(C)C 22a_100000696102_100000745993 [0,1,0,0,0,0|3,0,0]=4 4370 B12R0.233 CCCOCC(=O)NNCC(C)O 22a_200000730056_100000745993 [0,1,0,0,0,0|3,0,0]=4 4371 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,1,0,0,0,0|2,0,1]=4 4372 B12R0.233 CCCSCC(=O)CCCC(C)C 1458a_100000217233_100011214892 [0,1,0,0,0,0|2,0,0]=3 4373 B12R0.233 CCCSCC(=O)CCCC(C)O 1458a_100000217233_200000718107 [0,1,0,0,0,0|2,0,0]=3 4374 B12R0.233 CCCSCC(=O)CCCN(C)C 1458a_100000217233_100000695564 [0,1,0,0,0,0|3,0,0]=4 4375 B12R0.233 CCCSCC(=O)CCOC(C)C 1458a_100000217233_100000211751 [0,1,0,0,0,0|3,0,0]=4 4376 B12R0.233 CCCSCC(=O)CCSC(C)C 1458a_100000217233_100000730970 [0,1,0,0,0,0|3,0,0]=4 4377 B12R0.233 CCCSCC(=O)NCCC(C)C 11a_100000210545_100000217233 [0,1,0,0,0,0|2,0,0]=3 4378 B12R0.233 CCCSCC(=O)NCCC(C)C 1626a_100000210545_100000217233 [0,1,0,0,0,0|2,0,0]=3 4379 B12R0.233 CCCSCC(=O)NCCC(C)C 240690a_100000210545_100000217233 [0,1,0,0,0,0|2,0,0]=3 4380 B12R0.233 CCCSCC(=O)NCCC(C)C 527a_100000210545_100000217233 [0,1,0,0,0,0|2,0,0]=3 4381 B12R0.233 CCCSCC(=O)NCCC(C)O 240690a_200000755665_100000217233 [0,1,0,0,0,0|2,0,0]=3 4382 B12R0.233 CCCSCC(=O)NCCC(C)O 527a_200000755665_100000217233 [0,1,0,0,0,0|2,0,0]=3 4383 B12R0.233 CCCSCC(=O)NCCN(C)C 240690a_100000210585_100000217233 [0,1,0,0,0,0|3,0,0]=4 4384 B12R0.233 CCCSCC(=O)NCCN(C)C 527a_100000210585_100000217233 [0,1,0,0,0,0|3,0,0]=4 4385 B12R0.233 CCCSCC(=O)NNCC(C)C 22a_100000696102_100000217233 [0,1,0,0,0,0|3,0,0]=4 4386 B12R0.233 CCCSCC(=O)NNCC(C)O 22a_200000730056_100000217233 [0,1,0,0,0,0|3,0,0]=4 4387 B12R0.233 CCOC=CC(=O)CCCC(C)C 1458a_100016266692_100011214892 [0,1,0,0,0,0|2,0,1]=4 4388 B12R0.233 CCOC=CC(=O)CCCC(C)O 1458a_100016266692_200000718107 [0,1,0,0,0,0|2,0,1]=4 4389 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,1,0,0,0,0|2,0,1]=4 4390 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100000749530_100011214892 [0,1,0,0,0,0|2,0,0]=3 4391 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215890 [0,1,0,0,0,0|2,0,0]=3 4392 B12R0.233 CCOCCC(=O)CCCC(C)O 1458a_100000749530_200000718107 [0,1,0,0,0,0|2,0,0]=3 4393 B12R0.233 CCOCCC(=O)CCCN(C)C 1458a_100000749530_100000695564 [0,1,0,0,0,0|3,0,0]=4 4394 B12R0.233 CCOCCC(=O)CCOC(C)C 1458a_100000749530_100000211751 [0,1,0,0,0,0|3,0,0]=4 4395 B12R0.233 CCOCCC(=O)CCSC(C)C 1458a_100000749530_100000730970 [0,1,0,0,0,0|3,0,0]=4 4396 B12R0.233 CCOCCC(=O)COCC(C)C 1458a_100011223364_100011215890 [0,1,0,0,0,0|3,0,0]=4 4397 B12R0.233 CCOCCC(=O)NCCC(C)C 11a_100000210545_100000749530 [0,1,0,0,0,0|2,0,0]=3 4398 B12R0.233 CCOCCC(=O)NCCC(C)C 1626a_100000210545_100000749530 [0,1,0,0,0,0|2,0,0]=3 4399 B12R0.233 CCOCCC(=O)NCCC(C)C 240690a_100000210545_100000749530 [0,1,0,0,0,0|2,0,0]=3 4400 B12R0.233 CCOCCC(=O)NCCC(C)C 527a_100000210545_100000749530 [0,1,0,0,0,0|2,0,0]=3 4401 B12R0.233 CCOCCC(=O)NCCC(C)O 240690a_200000755665_100000749530 [0,1,0,0,0,0|2,0,0]=3 4402 B12R0.233 CCOCCC(=O)NCCC(C)O 527a_200000755665_100000749530 [0,1,0,0,0,0|2,0,0]=3 4403 B12R0.233 CCOCCC(=O)NCCN(C)C 240690a_100000210585_100000749530 [0,1,0,0,0,0|3,0,0]=4 4404 B12R0.233 CCOCCC(=O)NCCN(C)C 527a_100000210585_100000749530 [0,1,0,0,0,0|3,0,0]=4 4405 B12R0.233 CCOCCC(=O)NNCC(C)C 22a_100000696102_100000749530 [0,1,0,0,0,0|3,0,0]=4 4406 B12R0.233 CCOCCC(=O)NNCC(C)O 22a_200000730056_100000749530 [0,1,0,0,0,0|3,0,0]=4 4407 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,1,0,0,0,0|2,0,1]=4 4408 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100000230768_100011214892 [0,1,0,0,0,0|2,0,0]=3 4409 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100011216857_100000757381 [0,1,0,0,0,0|2,0,0]=3 4410 B12R0.233 CCSCCC(=O)CCCC(C)O 1458a_100000230768_200000718107 [0,1,0,0,0,0|2,0,0]=3 4411 B12R0.233 CCSCCC(=O)CCCN(C)C 1458a_100000230768_100000695564 [0,1,0,0,0,0|3,0,0]=4 4412 B12R0.233 CCSCCC(=O)CCOC(C)C 1458a_100000230768_100000211751 [0,1,0,0,0,0|3,0,0]=4 4413 B12R0.233 CCSCCC(=O)CCSC(C)C 1458a_100000230768_100000730970 [0,1,0,0,0,0|3,0,0]=4 4414 B12R0.233 CCSCCC(=O)COCC(C)C 1458a_100011223364_100000757381 [0,1,0,0,0,0|3,0,0]=4 4415 B12R0.233 CCSCCC(=O)NCCC(C)C 11a_100000210545_100000230768 [0,1,0,0,0,0|2,0,0]=3 4416 B12R0.233 CCSCCC(=O)NCCC(C)C 1626a_100000210545_100000230768 [0,1,0,0,0,0|2,0,0]=3 4417 B12R0.233 CCSCCC(=O)NCCC(C)C 240690a_100000210545_100000230768 [0,1,0,0,0,0|2,0,0]=3 4418 B12R0.233 CCSCCC(=O)NCCC(C)C 527a_100000210545_100000230768 [0,1,0,0,0,0|2,0,0]=3 4419 B12R0.233 CCSCCC(=O)NCCC(C)O 240690a_200000755665_100000230768 [0,1,0,0,0,0|2,0,0]=3 4420 B12R0.233 CCSCCC(=O)NCCC(C)O 527a_200000755665_100000230768 [0,1,0,0,0,0|2,0,0]=3 4421 B12R0.233 CCSCCC(=O)NCCN(C)C 240690a_100000210585_100000230768 [0,1,0,0,0,0|3,0,0]=4 4422 B12R0.233 CCSCCC(=O)NCCN(C)C 527a_100000210585_100000230768 [0,1,0,0,0,0|3,0,0]=4 4423 B12R0.233 CCSCCC(=O)NNCC(C)C 22a_100000696102_100000230768 [0,1,0,0,0,0|3,0,0]=4 4424 B12R0.233 CCSCCC(=O)NNCC(C)O 22a_200000730056_100000230768 [0,1,0,0,0,0|3,0,0]=4 4425 B12R0.233 CN(C)CCCC(=O)CCCCO 1458a_100000695505_100000695564 [0,1,0,0,0,0|3,0,0]=4 4426 B12R0.233 CN(C)CCCC(=O)NCCCF 11a_100015189416_100000740757 [0,1,0,0,0,0|3,0,0]=4 4427 B12R0.233 CN(C)CCCC(=O)NCCCF 240690a_100015189416_100000740757 [0,1,0,0,0,0|3,0,0]=4 4428 B12R0.233 CN(C)CCCC(=O)NCCCO 240690a_100000182051_100000740757 [0,1,0,0,0,0|3,0,0]=4 4429 B12R0.233 COCC=CC(=O)CCCC(C)C 1458a_100016285016_100011214892 [0,1,0,0,0,0|2,0,1]=4 4430 B12R0.233 COCC=CC(=O)CCCC(C)O 1458a_100016285016_200000718107 [0,1,0,0,0,0|2,0,1]=4 4431 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,1,0,0,0,0|2,0,1]=4 4432 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100000741012_100011214892 [0,1,0,0,0,0|2,0,0]=3 4433 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100011216857_100000740836 [0,1,0,0,0,0|2,0,0]=3 4434 B12R0.233 COCCCC(=O)CCCC(C)O 1458a_100000741012_200000718107 [0,1,0,0,0,0|2,0,0]=3 4435 B12R0.233 COCCCC(=O)CCCN(C)C 1458a_100000741012_100000695564 [0,1,0,0,0,0|3,0,0]=4 4436 B12R0.233 COCCCC(=O)CCOC(C)C 1458a_100000741012_100000211751 [0,1,0,0,0,0|3,0,0]=4 4437 B12R0.233 COCCCC(=O)CCSC(C)C 1458a_100000741012_100000730970 [0,1,0,0,0,0|3,0,0]=4 4438 B12R0.233 COCCCC(=O)COCC(C)C 1458a_100011223364_100000740836 [0,1,0,0,0,0|3,0,0]=4 4439 B12R0.233 COCCCC(=O)NCCC(C)C 11a_100000210545_100000741012 [0,1,0,0,0,0|2,0,0]=3 4440 B12R0.233 COCCCC(=O)NCCC(C)C 1626a_100000210545_100000741012 [0,1,0,0,0,0|2,0,0]=3 4441 B12R0.233 COCCCC(=O)NCCC(C)C 240690a_100000210545_100000741012 [0,1,0,0,0,0|2,0,0]=3 4442 B12R0.233 COCCCC(=O)NCCC(C)C 527a_100000210545_100000741012 [0,1,0,0,0,0|2,0,0]=3 4443 B12R0.233 COCCCC(=O)NCCC(C)O 240690a_200000755665_100000741012 [0,1,0,0,0,0|2,0,0]=3 4444 B12R0.233 COCCCC(=O)NCCC(C)O 527a_200000755665_100000741012 [0,1,0,0,0,0|2,0,0]=3 4445 B12R0.233 COCCCC(=O)NCCN(C)C 240690a_100000210585_100000741012 [0,1,0,0,0,0|3,0,0]=4 4446 B12R0.233 COCCCC(=O)NCCN(C)C 527a_100000210585_100000741012 [0,1,0,0,0,0|3,0,0]=4 4447 B12R0.233 COCCCC(=O)NNCC(C)C 22a_100000696102_100000741012 [0,1,0,0,0,0|3,0,0]=4 4448 B12R0.233 COCCCC(=O)NNCC(C)O 22a_200000730056_100000741012 [0,1,0,0,0,0|3,0,0]=4 4449 B12R0.233 COCCCC(C)OCCC(C)C 34a_200011539412_100000210312 [0,1,0,0,0,0|2,0,1]=4 4450 B12R0.233 COCCCC(C)OCCC(C)C 7a_200011539412_100000210626 [0,1,0,0,0,0|2,0,1]=4 4451 B12R0.233 COCCCC(C)OCCC(C)O 34a_200011539412_100012276601 [0,1,0,0,0,0|2,0,1]=4 4452 B12R0.233 COCCCC(C)OCCC(C)O 7a_200011539412_100012276601 [0,1,0,0,0,0|2,0,1]=4 4453 B12R0.233 COCCNC(=O)CCCC(C)C 1626a_100000209980_100011216857 [0,1,0,0,0,0|2,0,0]=3 4454 B12R0.233 COCCNC(=O)CCCC(C)C 240690a_100000209980_100011216857 [0,1,0,0,0,0|2,0,0]=3 4455 B12R0.233 COCCNC(=O)CCCC(C)C 527a_100000209980_100011216857 [0,1,0,0,0,0|2,0,0]=3 4456 B12R0.233 COCCNC(=O)CCCC(C)O 1626a_100000209980_100000761597 [0,1,0,0,0,0|2,0,0]=3 4457 B12R0.233 COCCNC(=O)CCCC(C)O 527a_100000209980_100000761597 [0,1,0,0,0,0|2,0,0]=3 4458 B12R0.233 COCCNC(=O)CCCN(C)C 240690a_100000209980_100000740757 [0,1,0,0,0,0|3,0,0]=4 4459 B12R0.233 COCCNC(=O)CNCC(C)C 2230a_100000210953_100000183275 [0,1,0,0,0,0|3,0,0]=4 4460 B12R0.233 COCCNC(=O)CNCC(C)C 2230a_100000754632_100000210760 [0,1,0,0,0,0|3,0,0]=4 4461 B12R0.233 COCCNC(=O)CNCC(C)C 34a_100000210953_100000183275 [0,1,0,0,0,0|3,0,0]=4 4462 B12R0.233 COCCNC(=O)CNCC(C)O 2230a_100000210904_100000183275 [0,1,0,0,0,0|3,0,0]=4 4463 B12R0.233 COCCNC(=O)CNCC(C)O 2230a_100000754632_100011218427 [0,1,0,0,0,0|3,0,0]=4 4464 B12R0.233 COCCNC(=O)CNCC(C)O 34a_100000210904_100000183275 [0,1,0,0,0,0|3,0,0]=4 4465 B12R0.233 COCCNC(=O)CNC[C@@H](C)O 2230a_100000754632_100009817552 [0,1,0,0,0,0|3,0,0]=4 4466 B12R0.233 COCCNC(=O)COCC(C)Br 34a_100012180447_100000183275 [0,1,0,0,0,0|3,0,0]=4 4467 B12R0.233 COCCNC(=O)COCC(C)C 1626a_100000209980_100011223364 [0,1,0,0,0,0|3,0,0]=4 4468 B12R0.233 COCCNC(=O)COCC(C)C 240690a_100000209980_100011223364 [0,1,0,0,0,0|3,0,0]=4 4469 B12R0.233 COCCNC(=O)COCC(C)C 34a_100000210257_100000183275 [0,1,0,0,0,0|3,0,0]=4 4470 B12R0.233 COCCNC(=O)COCC(C)C 527a_100000209980_100011223364 [0,1,0,0,0,0|3,0,0]=4 4471 B12R0.233 COCCNC(=O)COCC(C)F 34a_100015925927_100000183275 [0,1,0,0,0,0|3,0,0]=4 4472 B12R0.233 COCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183275 [0,1,0,0,0,0|3,0,0]=4 4473 B12R0.233 COCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183275 [0,1,0,0,0,0|3,0,0]=4 4474 B12R0.233 COCCNC(=O)CSCC(C)C 62a_100000183275_100000210760 [0,1,0,0,0,0|3,0,0]=4 4475 B12R0.233 COCCNC(=O)CSCC(C)C 62a_100000210624_100000183275 [0,1,0,0,0,0|3,0,0]=4 4476 B12R0.233 COCCNC(=O)CSCC(C)O 62a_100000183275_100011218427 [0,1,0,0,0,0|3,0,0]=4 4477 B12R0.233 COCCNC(=O)CSCC(C)O 62a_100011218427_100000183275 [0,1,0,0,0,0|3,0,0]=4 4478 B12R0.233 COCCNC(=O)CSC[C@@H](C)O 62a_100000183275_100009817552 [0,1,0,0,0,0|3,0,0]=4 4479 B12R0.233 COCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183275 [0,1,0,0,0,0|3,0,0]=4 4480 B12R0.233 COCCNC(=O)NCCC(C)C 2708a_100000210545_100000209980 [0,1,0,0,0,0|3,0,0]=4 4481 B12R0.233 COCCNC(=O)NCCC(C)C 273464a_100000209980_100000210545 [0,1,0,0,0,0|3,0,0]=4 4482 B12R0.233 COCCNC(=O)NCCC(C)C 273464a_100000210545_100000209980 [0,1,0,0,0,0|3,0,0]=4 4483 B12R0.233 COCCNC(=O)NCCC(C)O 273464a_200000755665_100000209980 [0,1,0,0,0,0|3,0,0]=4 4484 B12R0.233 COCCOC(=O)CNCC(C)C 2230a_100000210953_200000040189 [0,1,0,0,0,0|2,0,0]=3 4485 B12R0.233 COCCOC(=O)CNCC(C)C 34a_100000210953_200000040189 [0,1,0,0,0,0|2,0,0]=3 4486 B12R0.233 COCCOC(=O)CNCC(C)O 2230a_100000210904_200000040189 [0,1,0,0,0,0|2,0,0]=3 4487 B12R0.233 COCCOC(=O)CNCC(C)O 34a_100000210904_200000040189 [0,1,0,0,0,0|2,0,0]=3 4488 B12R0.233 COCCOC(=O)CNCC(F)F 34a_100000765723_200000040189 [0,1,0,0,0,0|3,0,0]=4 4489 B12R0.233 COCCOC(=O)COCC(=O)C 34a_100000211253_200000040189 [0,1,0,0,0,0|2,0,1]=4 4490 B12R0.233 COCCOC(=O)COCC(C)Br 34a_100012180447_200000040189 [0,1,0,0,0,0|2,0,0]=3 4491 B12R0.233 COCCOC(=O)COCC(C)C 34a_100000210257_200000040189 [0,1,0,0,0,0|2,0,0]=3 4492 B12R0.233 COCCOC(=O)COCC(C)F 34a_100015925927_200000040189 [0,1,0,0,0,0|2,0,0]=3 4493 B12R0.233 COCCOC(=O)COCC(F)F 34a_100000743014_200000040189 [0,1,0,0,0,0|3,0,0]=4 4494 B12R0.233 COCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200000040189 [0,1,0,0,0,0|2,0,0]=3 4495 B12R0.233 COCCOC(=O)COC[C@@H](C)N 34a_100000737577_200000040189 [0,1,0,0,0,0|2,0,0]=3 4496 B12R0.233 COCCOC(=O)CSCC(C)C 62a_100000210624_200000040189 [0,1,0,0,0,0|2,0,0]=3 4497 B12R0.233 COCCOC(=O)CSCC(C)C 62a_200000040189_100000210760 [0,1,0,0,0,0|2,0,0]=3 4498 B12R0.233 COCCOC(=O)CSCC(C)O 62a_100011218427_200000040189 [0,1,0,0,0,0|2,0,0]=3 4499 B12R0.233 COCCOC(=O)CSCC(C)O 62a_200000040189_100011218427 [0,1,0,0,0,0|2,0,0]=3 4500 B12R0.233 COCCOC(=O)CSCC(F)F 62a_100011934356_200000040189 [0,1,0,0,0,0|3,0,0]=4 4501 B12R0.233 COCCOC(=O)CSCC(F)F 62a_200000040189_100011934356 [0,1,0,0,0,0|3,0,0]=4 4502 B12R0.233 COCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200000040189 [0,1,0,0,0,0|2,0,0]=3 4503 B12R0.233 COCCOC(=O)CSC[C@@H](C)O 62a_200000040189_100009817552 [0,1,0,0,0,0|2,0,0]=3 4504 B12R0.233 COCCOC(C)CCCC(C)C 34a_200011218570_100011201679 [0,1,0,0,0,0|2,0,1]=4 4505 B12R0.233 COCCOC(C)CCCC(C)C 7a_200011218570_100000233755 [0,1,0,0,0,0|2,0,1]=4 4506 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,1,0,0,0,0|2,0,1]=4 4507 B12R0.233 CSCCCC(=O)CCCC(C)C 1458a_100000173376_100011214892 [0,1,0,0,0,0|2,0,0]=3 4508 B12R0.233 CSCCCC(=O)CCCC(C)O 1458a_100000173376_200000718107 [0,1,0,0,0,0|2,0,0]=3 4509 B12R0.233 CSCCCC(=O)CCCN(C)C 1458a_100000173376_100000695564 [0,1,0,0,0,0|3,0,0]=4 4510 B12R0.233 CSCCCC(=O)CCOC(C)C 1458a_100000173376_100000211751 [0,1,0,0,0,0|3,0,0]=4 4511 B12R0.233 CSCCCC(=O)CCSC(C)C 1458a_100000173376_100000730970 [0,1,0,0,0,0|3,0,0]=4 4512 B12R0.233 CSCCCC(=O)NCCC(C)C 11a_100000210545_100000173376 [0,1,0,0,0,0|2,0,0]=3 4513 B12R0.233 CSCCCC(=O)NCCC(C)C 1626a_100000210545_100000173376 [0,1,0,0,0,0|2,0,0]=3 4514 B12R0.233 CSCCCC(=O)NCCC(C)C 240690a_100000210545_100000173376 [0,1,0,0,0,0|2,0,0]=3 4515 B12R0.233 CSCCCC(=O)NCCC(C)C 527a_100000210545_100000173376 [0,1,0,0,0,0|2,0,0]=3 4516 B12R0.233 CSCCCC(=O)NCCC(C)O 240690a_200000755665_100000173376 [0,1,0,0,0,0|2,0,0]=3 4517 B12R0.233 CSCCCC(=O)NCCC(C)O 527a_200000755665_100000173376 [0,1,0,0,0,0|2,0,0]=3 4518 B12R0.233 CSCCCC(=O)NCCN(C)C 240690a_100000210585_100000173376 [0,1,0,0,0,0|3,0,0]=4 4519 B12R0.233 CSCCCC(=O)NCCN(C)C 527a_100000210585_100000173376 [0,1,0,0,0,0|3,0,0]=4 4520 B12R0.233 CSCCCC(=O)NNCC(C)C 22a_100000696102_100000173376 [0,1,0,0,0,0|3,0,0]=4 4521 B12R0.233 CSCCCC(=O)NNCC(C)O 22a_200000730056_100000173376 [0,1,0,0,0,0|3,0,0]=4 4522 B12R0.233 CSCCNC(=O)CCCC(C)C 11a_100020590264_100011216857 [0,1,0,0,0,0|2,0,0]=3 4523 B12R0.233 CSCCNC(=O)CCCC(C)C 1626a_100020590264_100011216857 [0,1,0,0,0,0|2,0,0]=3 4524 B12R0.233 CSCCNC(=O)CCCC(C)C 240690a_100020590264_100011216857 [0,1,0,0,0,0|2,0,0]=3 4525 B12R0.233 CSCCNC(=O)CCCC(C)C 527a_100020590264_100011216857 [0,1,0,0,0,0|2,0,0]=3 4526 B12R0.233 CSCCNC(=O)CCCC(C)O 1626a_100020590264_100000761597 [0,1,0,0,0,0|2,0,0]=3 4527 B12R0.233 CSCCNC(=O)CCCC(C)O 527a_100020590264_100000761597 [0,1,0,0,0,0|2,0,0]=3 4528 B12R0.233 CSCCNC(=O)CCCN(C)C 11a_100020590264_100000740757 [0,1,0,0,0,0|3,0,0]=4 4529 B12R0.233 CSCCNC(=O)CCCN(C)C 240690a_100020590264_100000740757 [0,1,0,0,0,0|3,0,0]=4 4530 B12R0.233 CSCCNC(=O)COCC(C)C 11a_100020590264_100011223364 [0,1,0,0,0,0|3,0,0]=4 4531 B12R0.233 CSCCNC(=O)COCC(C)C 1626a_100020590264_100011223364 [0,1,0,0,0,0|3,0,0]=4 4532 B12R0.233 CSCCNC(=O)COCC(C)C 240690a_100020590264_100011223364 [0,1,0,0,0,0|3,0,0]=4 4533 B12R0.233 CSCCNC(=O)COCC(C)C 527a_100020590264_100011223364 [0,1,0,0,0,0|3,0,0]=4 4534 B12R0.233 CSCCNC(=O)NCCC(C)C 2708a_100000210545_100020590264 [0,1,0,0,0,0|3,0,0]=4 4535 B12R0.233 CSCCNC(=O)NCCC(C)C 2708a_100020590264_100000210545 [0,1,0,0,0,0|3,0,0]=4 4536 B12R0.233 CSCCNC(=O)NCCC(C)C 273464a_100000210545_100020590264 [0,1,0,0,0,0|3,0,0]=4 4537 B12R0.233 CSCCNC(=O)NCCC(C)C 273464a_100020590264_100000210545 [0,1,0,0,0,0|3,0,0]=4 4538 B12R0.233 CSCCNC(=O)NCCC(C)C 512a_100000210545_100020590264 [0,1,0,0,0,0|3,0,0]=4 4539 B12R0.233 CSCCNC(=O)NCCC(C)C 512a_100020590264_100000210545 [0,1,0,0,0,0|3,0,0]=4 4540 B12R0.233 CSCCNC(=O)NCCC(C)O 2708a_100020590264_200000755665 [0,1,0,0,0,0|3,0,0]=4 4541 B12R0.233 CSCCNC(=O)NCCC(C)O 273464a_200000755665_100020590264 [0,1,0,0,0,0|3,0,0]=4 4542 B12R0.233 CSCCNC(=O)NCCC(C)O 512a_100020590264_200000755665 [0,1,0,0,0,0|3,0,0]=4 4543 B12R0.233 CSCCNC(=O)NCCC(C)O 512a_200000755665_100020590264 [0,1,0,0,0,0|3,0,0]=4 4544 B12R0.233 CSCCOC(C)CCCC(C)C 34a_200011218570_100000212216 [0,1,0,0,0,0|2,0,1]=4 4545 B12R0.233 CSCCOC(C)CCCC(C)C 7a_200011218570_100000212216 [0,1,0,0,0,0|2,0,1]=4 4546 B12R0.239 C#CCC(=O)CC(=O)OCCCC 1458a_100011220946_100000211628 [0,1,0,0,0,0|0,0,3]=4 4547 B12R0.239 C#CCCCC(=O)CC(C)CCC 1458a_100000690238_100011216630 [0,1,0,0,0,0|1,0,2]=4 4548 B12R0.239 C#CCCCC(=O)CC(C)CCC 1458a_100000748435_100000731252 [0,1,0,0,0,0|1,0,2]=4 4549 B12R0.239 C#CCCCC(=O)NC(C)CCC 11a_100000741246_100000690238 [0,1,0,0,0,0|1,0,2]=4 4550 B12R0.239 C#CCCCC(=O)NC(C)CCC 1626a_100000741246_100000690238 [0,1,0,0,0,0|1,0,2]=4 4551 B12R0.239 C#CCCCC(=O)NC(C)CCC 240690a_100000741246_100000690238 [0,1,0,0,0,0|1,0,2]=4 4552 B12R0.239 C#CCCCC(=O)NC(C)CCC 527a_100000741246_100000690238 [0,1,0,0,0,0|1,0,2]=4 4553 B12R0.239 C#CCCNC(=O)CC(C)CCC 11a_100000755551_100000748435 [0,1,0,0,0,0|1,0,2]=4 4554 B12R0.239 C#CCCNC(=O)CC(C)CCC 1626a_100000755551_100000748435 [0,1,0,0,0,0|1,0,2]=4 4555 B12R0.239 C#CCCNC(=O)CC(C)CCC 240690a_100000755551_100000748435 [0,1,0,0,0,0|1,0,2]=4 4556 B12R0.239 C#CCCNC(=O)CC(C)CCC 527a_100000755551_100000748435 [0,1,0,0,0,0|1,0,2]=4 4557 B12R0.239 C#CCN(C)CC(=O)OCCCC 2230a_100000225692_100000211628 [0,1,0,0,0,0|1,0,2]=4 4558 B12R0.239 C#CCN(C)CC(=O)OCCCC 34a_100000225692_100000211628 [0,1,0,0,0,0|1,0,2]=4 4559 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [0,1,0,0,0,0|1,0,1]=3 4560 B12R0.239 C=C(CCC)CC(=O)CCCCF 1458a_100000138376_100000729493 [0,1,0,0,0,0|2,0,1]=4 4561 B12R0.239 C=C(CCC)CC(=O)CCCCO 1458a_100000138376_100000210776 [0,1,0,0,0,0|2,0,1]=4 4562 B12R0.239 C=C(CCC)CC(=O)CCCOC 1458a_100000138376_100000740836 [0,1,0,0,0,0|2,0,1]=4 4563 B12R0.239 C=C(CCC)CC(=O)CCOCC 1458a_100000138376_100011215890 [0,1,0,0,0,0|2,0,1]=4 4564 B12R0.239 C=C(CCC)CC(=O)CCSCC 1458a_100000138376_100000757381 [0,1,0,0,0,0|2,0,1]=4 4565 B12R0.239 C=C(CCC)CC(=O)NCCCC 11a_100000102301_100000138376 [0,1,0,0,0,0|1,0,1]=3 4566 B12R0.239 C=C(CCC)CC(=O)NCCCC 240690a_100000102301_100000138376 [0,1,0,0,0,0|1,0,1]=3 4567 B12R0.239 C=C(CCC)CC(=O)NCCCC 527a_100000102301_100000138376 [0,1,0,0,0,0|1,0,1]=3 4568 B12R0.239 C=C(CCC)CC(=O)NCCCF 11a_100015189416_100000138376 [0,1,0,0,0,0|2,0,1]=4 4569 B12R0.239 C=C(CCC)CC(=O)NCCCF 240690a_100015189416_100000138376 [0,1,0,0,0,0|2,0,1]=4 4570 B12R0.239 C=C(CCC)CC(=O)NCCCF 527a_100015189416_100000138376 [0,1,0,0,0,0|2,0,1]=4 4571 B12R0.239 C=C(CCC)CC(=O)NCCCO 240690a_100000182051_100000138376 [0,1,0,0,0,0|2,0,1]=4 4572 B12R0.239 C=C(CCC)CC(=O)NCCCO 527a_100000182051_100000138376 [0,1,0,0,0,0|2,0,1]=4 4573 B12R0.239 C=C(CCC)CC(=O)NCCOC 240690a_100000209980_100000138376 [0,1,0,0,0,0|2,0,1]=4 4574 B12R0.239 C=C(CCC)CC(=O)NCCOC 527a_100000209980_100000138376 [0,1,0,0,0,0|2,0,1]=4 4575 B12R0.239 C=C(CCC)CC(=O)NCCSC 11a_100020590264_100000138376 [0,1,0,0,0,0|2,0,1]=4 4576 B12R0.239 C=C(CCC)CC(=O)NCCSC 240690a_100020590264_100000138376 [0,1,0,0,0,0|2,0,1]=4 4577 B12R0.239 C=C(CCC)CC(=O)NCCSC 527a_100020590264_100000138376 [0,1,0,0,0,0|2,0,1]=4 4578 B12R0.239 C=C(CCC)CC(=O)NNCCC 22a_100000740057_100000138376 [0,1,0,0,0,0|2,0,1]=4 4579 B12R0.239 C=CCC(=O)CC(=O)OCCCC 1458a_100000210193_100000211628 [0,1,0,0,0,0|0,0,3]=4 4580 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000748435_100000757094 [0,1,0,0,0,0|1,0,2]=4 4581 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000766728_100011216630 [0,1,0,0,0,0|1,0,2]=4 4582 B12R0.239 C=CCCCC(=O)NC(C)CCC 11a_100000741246_100000766728 [0,1,0,0,0,0|1,0,2]=4 4583 B12R0.239 C=CCCCC(=O)NC(C)CCC 1626a_100000741246_100000766728 [0,1,0,0,0,0|1,0,2]=4 4584 B12R0.239 C=CCCCC(=O)NC(C)CCC 240690a_100000741246_100000766728 [0,1,0,0,0,0|1,0,2]=4 4585 B12R0.239 C=CCCCC(=O)NC(C)CCC 527a_100000741246_100000766728 [0,1,0,0,0,0|1,0,2]=4 4586 B12R0.239 C=CCCNC(=O)CC(C)CCC 11a_100015191253_100000748435 [0,1,0,0,0,0|1,0,2]=4 4587 B12R0.239 C=CCCNC(=O)CC(C)CCC 1626a_100015191253_100000748435 [0,1,0,0,0,0|1,0,2]=4 4588 B12R0.239 C=CCCNC(=O)CC(C)CCC 240690a_100015191253_100000748435 [0,1,0,0,0,0|1,0,2]=4 4589 B12R0.239 C=CCCNC(=O)CC(C)CCC 527a_100015191253_100000748435 [0,1,0,0,0,0|1,0,2]=4 4590 B12R0.239 C=CCN(C)CC(=O)OCCCC 2230a_100000225617_100000211628 [0,1,0,0,0,0|1,0,2]=4 4591 B12R0.239 C=CCN(C)CC(=O)OCCCC 269982a_100000225617_100000211628 [0,1,0,0,0,0|1,0,2]=4 4592 B12R0.239 CC#CC(=O)CC(=O)OCCCC 1458a_100000763181_100000211628 [0,1,0,0,0,0|0,0,3]=4 4593 B12R0.239 CC#CCNC(=O)CC(C)CCC 11a_100000685387_100000748435 [0,1,0,0,0,0|1,0,2]=4 4594 B12R0.239 CC#CCNC(=O)CC(C)CCC 1626a_100000685387_100000748435 [0,1,0,0,0,0|1,0,2]=4 4595 B12R0.239 CC#CCNC(=O)CC(C)CCC 527a_100000685387_100000748435 [0,1,0,0,0,0|1,0,2]=4 4596 B12R0.239 CC/C=C/CC(=O)CC(C)CCC 1458a_100016274230_100011216630 [0,1,0,0,0,0|1,0,2]=4 4597 B12R0.239 CC/C=C/CC(=O)NC(C)CCC 11a_100000741246_100016274230 [0,1,0,0,0,0|1,0,2]=4 4598 B12R0.239 CC/C=C/CC(=O)NC(C)CCC 1626a_100000741246_100016274230 [0,1,0,0,0,0|1,0,2]=4 4599 B12R0.239 CC/C=C/CC(=O)NC(C)CCC 240690a_100000741246_100016274230 [0,1,0,0,0,0|1,0,2]=4 4600 B12R0.239 CC/C=C/CC(=O)NC(C)CCC 527a_100000741246_100016274230 [0,1,0,0,0,0|1,0,2]=4 4601 B12R0.239 CC/C=C\CC(=O)CC(C)CCC 1458a_100000748435_100103147603 [0,1,0,0,0,0|1,0,2]=4 4602 B12R0.239 CC=CC(=O)CC(=O)OCCCC 1458a_100000210699_100000211628 [0,1,0,0,0,0|0,0,3]=4 4603 B12R0.239 CCC#CCC(=O)CC(C)CCC 1458a_100000748435_100009813939 [0,1,0,0,0,0|1,0,2]=4 4604 B12R0.239 CCCC#CC(=O)CC(=O)CCC 1458a_200011218047_100000747444 [0,1,0,0,0,0|1,0,2]=4 4605 B12R0.239 CCCC#CC(=O)CC(C)CCC 1458a_200011218047_100011216630 [0,1,0,0,0,0|1,0,1]=3 4606 B12R0.239 CCCC#CC(=O)NC(C)CCC 240690a_100000741246_200011218047 [0,1,0,0,0,0|1,0,2]=4 4607 B12R0.239 CCCC(=CC(=O)CCCCF)C 1458a_100020676950_100000729493 [0,1,0,0,0,0|2,0,1]=4 4608 B12R0.239 CCCC(=CC(=O)CCCCO)C 1458a_100020676950_100000210776 [0,1,0,0,0,0|2,0,1]=4 4609 B12R0.239 CCCC(=CC(=O)CCCOC)C 1458a_100020676950_100000740836 [0,1,0,0,0,0|2,0,1]=4 4610 B12R0.239 CCCC(=CC(=O)CCOCC)C 1458a_100020676950_100011215890 [0,1,0,0,0,0|2,0,1]=4 4611 B12R0.239 CCCC(=CC(=O)CCSCC)C 1458a_100020676950_100000757381 [0,1,0,0,0,0|2,0,1]=4 4612 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,1,0,0,0,0|2,0,1]=4 4613 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [0,1,0,0,0,0|2,0,1]=4 4614 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [0,1,0,0,0,0|2,0,1]=4 4615 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,1,0,0,0,0|2,0,1]=4 4616 B12R0.239 CCCC(=O)CC(=O)CCSCC 1458a_100000230768_100000747444 [0,1,0,0,0,0|2,0,1]=4 4617 B12R0.239 CCCC(=O)CC(=O)NCCOC 1458a_100000211992_100000183275 [0,1,0,0,0,0|2,0,1]=4 4618 B12R0.239 CCCC(=O)CC(=O)OCCOC 1458a_100000211992_200000040189 [0,1,0,0,0,0|1,0,1]=3 4619 B12R0.239 CCCC(C)CC(=O)C=CCOC 1458a_100016285016_100011216630 [0,1,0,0,0,0|2,0,1]=4 4620 B12R0.239 CCCC(C)CC(=O)C=COCC 1458a_100016266692_100011216630 [0,1,0,0,0,0|2,0,1]=4 4621 B12R0.239 CCCC(C)CC(=O)CCCC#N 1458a_100000075515_100011216630 [0,1,0,0,0,0|2,0,1]=4 4622 B12R0.239 CCCC(C)CC(=O)CCCC#N 1458a_100000748435_100000211468 [0,1,0,0,0,0|2,0,1]=4 4623 B12R0.239 CCCC(C)CC(=O)CCCCF 1458a_100000748435_100000729493 [0,1,0,0,0,0|2,0,0]=3 4624 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000695505_100011216630 [0,1,0,0,0,0|2,0,0]=3 4625 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000748435_100000210776 [0,1,0,0,0,0|2,0,0]=3 4626 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000741012_100011216630 [0,1,0,0,0,0|2,0,0]=3 4627 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000748435_100000740836 [0,1,0,0,0,0|2,0,0]=3 4628 B12R0.239 CCCC(C)CC(=O)CCCSC 1458a_100000173376_100011216630 [0,1,0,0,0,0|2,0,0]=3 4629 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000748435_100011215890 [0,1,0,0,0,0|2,0,0]=3 4630 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000749530_100011216630 [0,1,0,0,0,0|2,0,0]=3 4631 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000230768_100011216630 [0,1,0,0,0,0|2,0,0]=3 4632 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000748435_100000757381 [0,1,0,0,0,0|2,0,0]=3 4633 B12R0.239 CCCC(C)CC(=O)COCCO 1458a_100000708028_100011216630 [0,1,0,0,0,0|3,0,0]=4 4634 B12R0.239 CCCC(C)CC(=O)NCCC#N 11a_100000720768_100000748435 [0,1,0,0,0,0|2,0,1]=4 4635 B12R0.239 CCCC(C)CC(=O)NCCC#N 1626a_100000720768_100000748435 [0,1,0,0,0,0|2,0,1]=4 4636 B12R0.239 CCCC(C)CC(=O)NCCC#N 240690a_100000720768_100000748435 [0,1,0,0,0,0|2,0,1]=4 4637 B12R0.239 CCCC(C)CC(=O)NCCC#N 527a_100000720768_100000748435 [0,1,0,0,0,0|2,0,1]=4 4638 B12R0.239 CCCC(C)CC(=O)NCCCF 11a_100015189416_100000748435 [0,1,0,0,0,0|2,0,0]=3 4639 B12R0.239 CCCC(C)CC(=O)NCCCF 1626a_100015189416_100000748435 [0,1,0,0,0,0|2,0,0]=3 4640 B12R0.239 CCCC(C)CC(=O)NCCCF 240690a_100015189416_100000748435 [0,1,0,0,0,0|2,0,0]=3 4641 B12R0.239 CCCC(C)CC(=O)NCCCF 527a_100015189416_100000748435 [0,1,0,0,0,0|2,0,0]=3 4642 B12R0.239 CCCC(C)CC(=O)NCCCO 240690a_100000182051_100000748435 [0,1,0,0,0,0|2,0,0]=3 4643 B12R0.239 CCCC(C)CC(=O)NCCCO 527a_100000182051_100000748435 [0,1,0,0,0,0|2,0,0]=3 4644 B12R0.239 CCCC(C)CC(=O)NCCOC 1626a_100000209980_100000748435 [0,1,0,0,0,0|2,0,0]=3 4645 B12R0.239 CCCC(C)CC(=O)NCCOC 240690a_100000209980_100000748435 [0,1,0,0,0,0|2,0,0]=3 4646 B12R0.239 CCCC(C)CC(=O)NCCOC 527a_100000209980_100000748435 [0,1,0,0,0,0|2,0,0]=3 4647 B12R0.239 CCCC(C)CC(=O)NCCSC 11a_100020590264_100000748435 [0,1,0,0,0,0|2,0,0]=3 4648 B12R0.239 CCCC(C)CC(=O)NCCSC 1626a_100020590264_100000748435 [0,1,0,0,0,0|2,0,0]=3 4649 B12R0.239 CCCC(C)CC(=O)NCCSC 240690a_100020590264_100000748435 [0,1,0,0,0,0|2,0,0]=3 4650 B12R0.239 CCCC(C)CC(=O)NCCSC 527a_100020590264_100000748435 [0,1,0,0,0,0|2,0,0]=3 4651 B12R0.239 CCCC(C)CC(=O)NNCCO 22a_100000210001_100000748435 [0,1,0,0,0,0|3,0,0]=4 4652 B12R0.239 CCCC(C)NC(=O)CCCC#N 11a_100000741246_100000075515 [0,1,0,0,0,0|2,0,1]=4 4653 B12R0.239 CCCC(C)NC(=O)CCCC#N 1626a_100000741246_100000075515 [0,1,0,0,0,0|2,0,1]=4 4654 B12R0.239 CCCC(C)NC(=O)CCCC#N 240690a_100000741246_100000075515 [0,1,0,0,0,0|2,0,1]=4 4655 B12R0.239 CCCC(C)NC(=O)CCCC#N 527a_100000741246_100000075515 [0,1,0,0,0,0|2,0,1]=4 4656 B12R0.239 CCCC(C)NC(=O)CCCCO 1626a_100000741246_100000695505 [0,1,0,0,0,0|2,0,0]=3 4657 B12R0.239 CCCC(C)NC(=O)CCCOC 11a_100000741246_100000741012 [0,1,0,0,0,0|2,0,0]=3 4658 B12R0.239 CCCC(C)NC(=O)CCCOC 1626a_100000741246_100000741012 [0,1,0,0,0,0|2,0,0]=3 4659 B12R0.239 CCCC(C)NC(=O)CCCOC 240690a_100000741246_100000741012 [0,1,0,0,0,0|2,0,0]=3 4660 B12R0.239 CCCC(C)NC(=O)CCCOC 527a_100000741246_100000741012 [0,1,0,0,0,0|2,0,0]=3 4661 B12R0.239 CCCC(C)NC(=O)CCCSC 11a_100000741246_100000173376 [0,1,0,0,0,0|2,0,0]=3 4662 B12R0.239 CCCC(C)NC(=O)CCCSC 1626a_100000741246_100000173376 [0,1,0,0,0,0|2,0,0]=3 4663 B12R0.239 CCCC(C)NC(=O)CCCSC 240690a_100000741246_100000173376 [0,1,0,0,0,0|2,0,0]=3 4664 B12R0.239 CCCC(C)NC(=O)CCCSC 527a_100000741246_100000173376 [0,1,0,0,0,0|2,0,0]=3 4665 B12R0.239 CCCC(C)NC(=O)CCOCC 11a_100000741246_100000749530 [0,1,0,0,0,0|2,0,0]=3 4666 B12R0.239 CCCC(C)NC(=O)CCOCC 1626a_100000741246_100000749530 [0,1,0,0,0,0|2,0,0]=3 4667 B12R0.239 CCCC(C)NC(=O)CCOCC 240690a_100000741246_100000749530 [0,1,0,0,0,0|2,0,0]=3 4668 B12R0.239 CCCC(C)NC(=O)CCOCC 527a_100000741246_100000749530 [0,1,0,0,0,0|2,0,0]=3 4669 B12R0.239 CCCC(C)NC(=O)CCSCC 11a_100000741246_100000230768 [0,1,0,0,0,0|2,0,0]=3 4670 B12R0.239 CCCC(C)NC(=O)CCSCC 1626a_100000741246_100000230768 [0,1,0,0,0,0|2,0,0]=3 4671 B12R0.239 CCCC(C)NC(=O)CCSCC 240690a_100000741246_100000230768 [0,1,0,0,0,0|2,0,0]=3 4672 B12R0.239 CCCC(C)NC(=O)CCSCC 527a_100000741246_100000230768 [0,1,0,0,0,0|2,0,0]=3 4673 B12R0.239 CCCC(C)NC(=O)COCCO 1626a_100000741246_100000708028 [0,1,0,0,0,0|3,0,0]=4 4674 B12R0.239 CCCC(C)NC(=O)COCCO 240690a_100000741246_100000708028 [0,1,0,0,0,0|3,0,0]=4 4675 B12R0.239 CCCC(C)NC(=O)NCCCF 2708a_100000741246_100015189416 [0,1,0,0,0,0|3,0,0]=4 4676 B12R0.239 CCCC(C)NC(=O)NCCCF 2708a_100015189416_100000741246 [0,1,0,0,0,0|3,0,0]=4 4677 B12R0.239 CCCC(C)NC(=O)NCCCF 273464a_100000741246_100015189416 [0,1,0,0,0,0|3,0,0]=4 4678 B12R0.239 CCCC(C)NC(=O)NCCCF 512a_100000741246_100015189416 [0,1,0,0,0,0|3,0,0]=4 4679 B12R0.239 CCCC(C)NC(=O)NCCCF 512a_100015189416_100000741246 [0,1,0,0,0,0|3,0,0]=4 4680 B12R0.239 CCCC(C)NC(=O)NCCCO 2708a_100000741246_100000182051 [0,1,0,0,0,0|3,0,0]=4 4681 B12R0.239 CCCC(C)NC(=O)NCCCO 273464a_100000741246_100000182051 [0,1,0,0,0,0|3,0,0]=4 4682 B12R0.239 CCCC(C)NC(=O)NCCCO 512a_100000741246_100000182051 [0,1,0,0,0,0|3,0,0]=4 4683 B12R0.239 CCCC(C)NC(=O)NCCOC 2708a_100000741246_100000209980 [0,1,0,0,0,0|3,0,0]=4 4684 B12R0.239 CCCC(C)NC(=O)NCCOC 273464a_100000741246_100000209980 [0,1,0,0,0,0|3,0,0]=4 4685 B12R0.239 CCCC(C)NC(=O)NCCSC 2708a_100000741246_100020590264 [0,1,0,0,0,0|3,0,0]=4 4686 B12R0.239 CCCC(C)NC(=O)NCCSC 2708a_100020590264_100000741246 [0,1,0,0,0,0|3,0,0]=4 4687 B12R0.239 CCCC(C)NC(=O)NCCSC 273464a_100000741246_100020590264 [0,1,0,0,0,0|3,0,0]=4 4688 B12R0.239 CCCC(C)NC(=O)NCCSC 512a_100000741246_100020590264 [0,1,0,0,0,0|3,0,0]=4 4689 B12R0.239 CCCC(C)NC(=O)NCCSC 512a_100020590264_100000741246 [0,1,0,0,0,0|3,0,0]=4 4690 B12R0.239 CCCC(C)OC(C)CCCOC 34a_200011539412_100000766640 [0,1,0,0,0,0|2,0,1]=4 4691 B12R0.239 CCCC(C)OC(C)CCCOC 7a_200011539412_100000766640 [0,1,0,0,0,0|2,0,1]=4 4692 B12R0.239 CCCC=CC(=O)CC(=O)CCC 1458a_100000212230_100000747444 [0,1,0,0,0,0|1,0,2]=4 4693 B12R0.239 CCCC=CC(=O)CC(C)CCC 1458a_100000212230_100011216630 [0,1,0,0,0,0|1,0,1]=3 4694 B12R0.239 CCCC=CC(=O)NC(C)CCC 11a_100000741246_100000212230 [0,1,0,0,0,0|1,0,2]=4 4695 B12R0.239 CCCC=CC(=O)NC(C)CCC 1626a_100000741246_100000212230 [0,1,0,0,0,0|1,0,2]=4 4696 B12R0.239 CCCC=CC(=O)NC(C)CCC 240690a_100000741246_100000212230 [0,1,0,0,0,0|1,0,2]=4 4697 B12R0.239 CCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210326 [0,1,0,0,0,0|1,0,1]=3 4698 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,1,0,0,0,0|1,0,1]=3 4699 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,1,0,0,0,0|1,0,1]=3 4700 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,1,0,0,0,0|2,0,1]=4 4701 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,1,0,0,0,0|2,0,1]=4 4702 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,1,0,0,0,0|2,0,1]=4 4703 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,1,0,0,0,0|2,0,1]=4 4704 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,1,0,0,0,0|2,0,1]=4 4705 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,1,0,0,0,0|2,0,1]=4 4706 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000212188_100011216630 [0,1,0,0,0,0|1,0,0]=2 4707 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210326 [0,1,0,0,0,0|1,0,0]=2 4708 B12R0.239 CCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210326 [0,1,0,0,0,0|2,0,0]=3 4709 B12R0.239 CCCCCC(=O)CN(C)CCC 2230a_100000747261_200012276598 [0,1,0,0,0,0|2,0,0]=3 4710 B12R0.239 CCCCCC(=O)CN(C)CCC 269982a_100000747261_200012276598 [0,1,0,0,0,0|2,0,0]=3 4711 B12R0.239 CCCCCC(=O)CN(C)CCO 2230a_100000210263_200012276598 [0,1,0,0,0,0|3,0,0]=4 4712 B12R0.239 CCCCCC(=O)CN(C)CCO 269982a_100000210263_200012276598 [0,1,0,0,0,0|3,0,0]=4 4713 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [0,1,0,0,0,0|2,0,0]=3 4714 B12R0.239 CCCCCC(=O)NC(C)CCC 11a_100000741246_100000212188 [0,1,0,0,0,0|1,0,0]=2 4715 B12R0.239 CCCCCC(=O)NC(C)CCC 1626a_100000741246_100000212188 [0,1,0,0,0,0|1,0,0]=2 4716 B12R0.239 CCCCCC(=O)NC(C)CCC 240690a_100000741246_100000212188 [0,1,0,0,0,0|1,0,0]=2 4717 B12R0.239 CCCCCC(=O)NC(C)CCC 527a_100000741246_100000212188 [0,1,0,0,0,0|1,0,0]=2 4718 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000212188 [0,1,0,0,0,0|2,0,1]=4 4719 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000212188 [0,1,0,0,0,0|2,0,1]=4 4720 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000212188 [0,1,0,0,0,0|2,0,1]=4 4721 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000212188 [0,1,0,0,0,0|2,0,1]=4 4722 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000212188 [0,1,0,0,0,0|2,0,0]=3 4723 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000212188 [0,1,0,0,0,0|2,0,0]=3 4724 B12R0.239 CCCCCC(=O)N[C@H](C)COC 11a_100000764878_100000212188 [0,1,0,0,0,0|2,0,0]=3 4725 B12R0.239 CCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000212188 [0,1,0,0,0,0|2,0,0]=3 4726 B12R0.239 CCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000212188 [0,1,0,0,0,0|2,0,0]=3 4727 B12R0.239 CCCCCC(=O)N[C@H](C)COC 527a_100000764878_100000212188 [0,1,0,0,0,0|2,0,0]=3 4728 B12R0.239 CCCCCC(C)NC(C)CCC 2230a_100000211957_100000766640 [0,1,0,0,0,0|2,0,1]=4 4729 B12R0.239 CCCCCC(C)NC(C)CCC 2230a_100000741246_200011218191 [0,1,0,0,0,0|2,0,1]=4 4730 B12R0.239 CCCCCC(C)NC(C)CCC 270004a_100000211957_100000211909 [0,1,0,0,0,0|2,0,1]=4 4731 B12R0.239 CCCCCC(C)NC(C)CCC 270004a_100000741246_100000211708 [0,1,0,0,0,0|2,0,1]=4 4732 B12R0.239 CCCCCC(C)OC(C)CCBr 34a_100012276601_200011218191 [0,1,0,0,0,0|2,0,1]=4 4733 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100000764384_200011218191 [0,1,0,0,0,0|1,0,1]=3 4734 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100011215632_100000766640 [0,1,0,0,0,0|1,0,1]=3 4735 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100000764384_200011218191 [0,1,0,0,0,0|1,0,1]=3 4736 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100011215632_100000766640 [0,1,0,0,0,0|1,0,1]=3 4737 B12R0.239 CCCCCC(C)OC(C)CCO 34a_100011215632_100009893172 [0,1,0,0,0,0|2,0,1]=4 4738 B12R0.239 CCCCCC(C)OC(C)CCO 7a_100011215632_100009893172 [0,1,0,0,0,0|2,0,1]=4 4739 B12R0.239 CCCCCC(C)OC(C)COC 34a_100011215632_100000765312 [0,1,0,0,0,0|2,0,1]=4 4740 B12R0.239 CCCCCC(C)OC(C)COC 7a_100011215632_100000765312 [0,1,0,0,0,0|2,0,1]=4 4741 B12R0.239 CCCCCC(C)O[C@H](C)COC 34a_100011934205_200011218191 [0,1,0,0,0,0|2,0,1]=4 4742 B12R0.239 CCCCCC(C)SC(C)CCC 62a_100000766640_200011218191 [0,1,0,0,0,0|1,1,1]=4 4743 B12R0.239 CCCCCC(C)SC(C)CCC 62a_200011218191_100000766640 [0,1,0,0,0,0|1,1,1]=4 4744 B12R0.239 CCCCCN(C)CC(C)CCC 2230a_100000223495_100011216630 [0,1,0,0,0,0|3,0,0]=4 4745 B12R0.239 CCCCCN(C)CC(C)CCC 269982a_100000223495_100011216630 [0,1,0,0,0,0|3,0,0]=4 4746 B12R0.239 CCCCCN(C)CC(C)CCC 270004a_100000223495_100000243154 [0,1,0,0,0,0|3,0,0]=4 4747 B12R0.239 CCCCNC(=O)C=C(C)CCC 11a_100000102301_100020676950 [0,1,0,0,0,0|1,0,2]=4 4748 B12R0.239 CCCCNC(=O)C=C(C)CCC 1626a_100000102301_100020676950 [0,1,0,0,0,0|1,0,2]=4 4749 B12R0.239 CCCCNC(=O)C=C(C)CCC 240690a_100000102301_100020676950 [0,1,0,0,0,0|1,0,2]=4 4750 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [0,1,0,0,0,0|1,0,1]=3 4751 B12R0.239 CCCCNC(=O)CC(=O)CCO 1458a_100011216618_100000182744 [0,1,0,0,0,0|2,0,1]=4 4752 B12R0.239 CCCCNC(=O)CC(=O)COC 1458a_100000210968_100000182744 [0,1,0,0,0,0|2,0,1]=4 4753 B12R0.239 CCCCNC(=O)CC(=O)CSC 1458a_100000184570_100000182744 [0,1,0,0,0,0|2,0,1]=4 4754 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,1,0,0,0,0|2,0,1]=4 4755 B12R0.239 CCCCNC(=O)CC(C)CCC 11a_100000102301_100000748435 [0,1,0,0,0,0|1,0,0]=2 4756 B12R0.239 CCCCNC(=O)CC(C)CCC 1626a_100000102301_100000748435 [0,1,0,0,0,0|1,0,0]=2 4757 B12R0.239 CCCCNC(=O)CC(C)CCC 240690a_100000102301_100000748435 [0,1,0,0,0,0|1,0,0]=2 4758 B12R0.239 CCCCNC(=O)CC(C)CCC 527a_100000102301_100000748435 [0,1,0,0,0,0|1,0,0]=2 4759 B12R0.239 CCCCNC(=O)CC(C)SCC 11a_100000102301_200011311441 [0,1,0,0,0,0|2,0,0]=3 4760 B12R0.239 CCCCNC(=O)CC(C)SCC 1626a_100000102301_200011311441 [0,1,0,0,0,0|2,0,0]=3 4761 B12R0.239 CCCCNC(=O)CC(C)SCC 240690a_100000102301_200011311441 [0,1,0,0,0,0|2,0,0]=3 4762 B12R0.239 CCCCNC(=O)CC(C)SCC 527a_100000102301_200011311441 [0,1,0,0,0,0|2,0,0]=3 4763 B12R0.239 CCCCNC(=O)CN(C)CCC 2230a_100000747261_100000182744 [0,1,0,0,0,0|2,0,0]=3 4764 B12R0.239 CCCCNC(=O)CN(C)CCC 2230a_200000213093_100000210303 [0,1,0,0,0,0|2,0,0]=3 4765 B12R0.239 CCCCNC(=O)CN(C)CCC 269982a_100000747261_100000182744 [0,1,0,0,0,0|2,0,0]=3 4766 B12R0.239 CCCCNC(=O)CN(C)CCC 269982a_200000213093_100000210303 [0,1,0,0,0,0|2,0,0]=3 4767 B12R0.239 CCCCNC(=O)CN(C)CCF 2230a_200000213093_100011217306 [0,1,0,0,0,0|3,0,0]=4 4768 B12R0.239 CCCCNC(=O)CN(C)CCF 269982a_200000213093_100011217306 [0,1,0,0,0,0|3,0,0]=4 4769 B12R0.239 CCCCNC(=O)CN(C)CCO 2230a_100000210263_100000182744 [0,1,0,0,0,0|3,0,0]=4 4770 B12R0.239 CCCCNC(=O)CN(C)CCO 2230a_200000213093_100000211926 [0,1,0,0,0,0|3,0,0]=4 4771 B12R0.239 CCCCNC(=O)CN(C)CCO 269982a_100000210263_100000182744 [0,1,0,0,0,0|3,0,0]=4 4772 B12R0.239 CCCCNC(=O)CN(C)CCO 269982a_200000213093_100000211926 [0,1,0,0,0,0|3,0,0]=4 4773 B12R0.239 CCCCNC(=O)CN(C)COC 2230a_200000213093_100000766300 [0,1,0,0,0,0|3,0,0]=4 4774 B12R0.239 CCCCNC(=O)CN(C)COC 269982a_200000213093_100000766300 [0,1,0,0,0,0|3,0,0]=4 4775 B12R0.239 CCCCNC(=O)CN(C)CSC 2230a_200000213093_100011218213 [0,1,0,0,0,0|3,0,0]=4 4776 B12R0.239 CCCCNC(=O)CN(C)CSC 269982a_200000213093_100011218213 [0,1,0,0,0,0|3,0,0]=4 4777 B12R0.239 CCCCNC(=O)CS(=O)CCC 11a_100000102301_100011387404 [0,1,0,0,0,0|2,0,0]=3 4778 B12R0.239 CCCCNC(=O)CS(=O)CCC 1626a_100000102301_100011387404 [0,1,0,0,0,0|2,0,0]=3 4779 B12R0.239 CCCCNC(=O)CS(=O)CCC 240690a_100000102301_100011387404 [0,1,0,0,0,0|2,0,0]=3 4780 B12R0.239 CCCCNC(=O)CS(=O)CCC 527a_100000102301_100011387404 [0,1,0,0,0,0|2,0,0]=3 4781 B12R0.239 CCCCNC(=O)NC(C)CCC 2708a_100000102301_100000741246 [0,1,0,0,0,0|2,0,0]=3 4782 B12R0.239 CCCCNC(=O)NC(C)CCC 2708a_100000741246_100000102301 [0,1,0,0,0,0|2,0,0]=3 4783 B12R0.239 CCCCNC(=O)NC(C)CCC 273464a_100000741246_100000102301 [0,1,0,0,0,0|2,0,0]=3 4784 B12R0.239 CCCCNC(=O)NC(C)CCC 512a_100000102301_100000741246 [0,1,0,0,0,0|2,0,0]=3 4785 B12R0.239 CCCCNC(=O)NC(C)CCC 512a_100000741246_100000102301 [0,1,0,0,0,0|2,0,0]=3 4786 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 2708a_100000102301_100000706166 [0,1,0,0,0,0|3,0,0]=4 4787 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 273464a_100000706166_100000102301 [0,1,0,0,0,0|3,0,0]=4 4788 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 512a_100000102301_100000706166 [0,1,0,0,0,0|3,0,0]=4 4789 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 512a_100000706166_100000102301 [0,1,0,0,0,0|3,0,0]=4 4790 B12R0.239 CCCCNC(=O)N[C@H](C)COC 2708a_100000102301_100000764878 [0,1,0,0,0,0|3,0,0]=4 4791 B12R0.239 CCCCNC(=O)N[C@H](C)COC 2708a_100000764878_100000102301 [0,1,0,0,0,0|3,0,0]=4 4792 B12R0.239 CCCCNC(=O)N[C@H](C)COC 273464a_100000102301_100000764878 [0,1,0,0,0,0|3,0,0]=4 4793 B12R0.239 CCCCNC(=O)N[C@H](C)COC 273464a_100000764878_100000102301 [0,1,0,0,0,0|3,0,0]=4 4794 B12R0.239 CCCCNC(=O)N[C@H](C)COC 512a_100000102301_100000764878 [0,1,0,0,0,0|3,0,0]=4 4795 B12R0.239 CCCCNC(=O)N[C@H](C)COC 512a_100000764878_100000102301 [0,1,0,0,0,0|3,0,0]=4 4796 B12R0.239 CCCCOC(=O)CC(=O)CC#N 1458a_100051588842_100000211628 [0,1,0,0,0,0|1,0,2]=4 4797 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,1,0,0,0,0|0,0,1]=2 4798 B12R0.239 CCCCOC(=O)CC(=O)CCO 1458a_100011216618_100000211628 [0,1,0,0,0,0|1,0,1]=3 4799 B12R0.239 CCCCOC(=O)CC(=O)COC 1458a_100000210968_100000211628 [0,1,0,0,0,0|1,0,1]=3 4800 B12R0.239 CCCCOC(=O)CC(=O)CSC 1458a_100000184570_100000211628 [0,1,0,0,0,0|1,0,1]=3 4801 B12R0.239 CCCCOC(=O)CN(C)CC#N 2230a_100000748184_100000211628 [0,1,0,0,0,0|2,0,1]=4 4802 B12R0.239 CCCCOC(=O)CN(C)CCC 2230a_100000747261_100000211628 [0,1,0,0,0,0|1,0,0]=2 4803 B12R0.239 CCCCOC(=O)CN(C)CCC 269982a_100000747261_100000211628 [0,1,0,0,0,0|1,0,0]=2 4804 B12R0.239 CCCCOC(=O)CN(C)CCO 2230a_100000210263_100000211628 [0,1,0,0,0,0|2,0,0]=3 4805 B12R0.239 CCCCOC(=O)CN(C)CCO 269982a_100000210263_100000211628 [0,1,0,0,0,0|2,0,0]=3 4806 B12R0.239 CCCN(C)CC(=O)NCCOC 2230a_100000747261_100000183275 [0,1,0,0,0,0|3,0,0]=4 4807 B12R0.239 CCCN(C)CC(=O)NCCOC 2230a_100020672463_100000210303 [0,1,0,0,0,0|3,0,0]=4 4808 B12R0.239 CCCN(C)CC(=O)NCCOC 269982a_100000747261_100000183275 [0,1,0,0,0,0|3,0,0]=4 4809 B12R0.239 CCCN(C)CC(=O)NCCOC 269982a_100020672463_100000210303 [0,1,0,0,0,0|3,0,0]=4 4810 B12R0.239 CCCN(C)CC(=O)OCCOC 2230a_100000747261_200000040189 [0,1,0,0,0,0|2,0,0]=3 4811 B12R0.239 CCCN(C)CC(=O)OCCOC 269982a_100000747261_200000040189 [0,1,0,0,0,0|2,0,0]=3 4812 B12R0.239 CCCNNC(=O)CC(C)CCC 22a_100000740057_100000748435 [0,1,0,0,0,0|2,0,0]=3 4813 B12R0.239 CCCNNC(=O)CC(C)SCC 22a_100000740057_200011311441 [0,1,0,0,0,0|3,0,0]=4 4814 B12R0.239 CCCNNC(=O)CS(=O)CCC 22a_100000740057_100011387404 [0,1,0,0,0,0|3,0,0]=4 4815 B12R0.239 CCCNNC(=O)NC(C)CCC 273464a_100000741246_100000740057 [0,1,0,0,0,0|3,0,0]=4 4816 B12R0.239 CCCNNC(=O)NC(C)CCC 512a_100000740057_100000741246 [0,1,0,0,0,0|3,0,0]=4 4817 B12R0.239 CCCNNC(=O)NC(C)CCC 512a_100000741246_100000740057 [0,1,0,0,0,0|3,0,0]=4 4818 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,1,0,0,0,0|2,0,1]=4 4819 B12R0.239 CCCOCC(=O)CC(C)CCC 1458a_100000745993_100011216630 [0,1,0,0,0,0|2,0,0]=3 4820 B12R0.239 CCCOCC(=O)NC(C)CCC 11a_100000741246_100000745993 [0,1,0,0,0,0|2,0,0]=3 4821 B12R0.239 CCCOCC(=O)NC(C)CCC 1626a_100000741246_100000745993 [0,1,0,0,0,0|2,0,0]=3 4822 B12R0.239 CCCOCC(=O)NC(C)CCC 240690a_100000741246_100000745993 [0,1,0,0,0,0|2,0,0]=3 4823 B12R0.239 CCCOCC(=O)NC(C)CCC 527a_100000741246_100000745993 [0,1,0,0,0,0|2,0,0]=3 4824 B12R0.239 CCCOCC(=O)N[C@H](C)CCO 240690a_100000706166_100000745993 [0,1,0,0,0,0|3,0,0]=4 4825 B12R0.239 CCCOCC(=O)N[C@H](C)CCO 527a_100000706166_100000745993 [0,1,0,0,0,0|3,0,0]=4 4826 B12R0.239 CCCOCC(=O)N[C@H](C)COC 11a_100000764878_100000745993 [0,1,0,0,0,0|3,0,0]=4 4827 B12R0.239 CCCOCC(=O)N[C@H](C)COC 1626a_100000764878_100000745993 [0,1,0,0,0,0|3,0,0]=4 4828 B12R0.239 CCCOCC(=O)N[C@H](C)COC 240690a_100000764878_100000745993 [0,1,0,0,0,0|3,0,0]=4 4829 B12R0.239 CCCOCC(=O)N[C@H](C)COC 527a_100000764878_100000745993 [0,1,0,0,0,0|3,0,0]=4 4830 B12R0.239 CCCS(=O)CC(=O)CCCCF 1458a_100011387404_100000729493 [0,1,0,0,0,0|3,0,0]=4 4831 B12R0.239 CCCS(=O)CC(=O)CCCCO 1458a_100011387404_100000210776 [0,1,0,0,0,0|3,0,0]=4 4832 B12R0.239 CCCS(=O)CC(=O)CCCOC 1458a_100011387404_100000740836 [0,1,0,0,0,0|3,0,0]=4 4833 B12R0.239 CCCS(=O)CC(=O)CCOCC 1458a_100011387404_100011215890 [0,1,0,0,0,0|3,0,0]=4 4834 B12R0.239 CCCS(=O)CC(=O)CCSCC 1458a_100011387404_100000757381 [0,1,0,0,0,0|3,0,0]=4 4835 B12R0.239 CCCS(=O)CC(=O)NCCCF 11a_100015189416_100011387404 [0,1,0,0,0,0|3,0,0]=4 4836 B12R0.239 CCCS(=O)CC(=O)NCCCF 1626a_100015189416_100011387404 [0,1,0,0,0,0|3,0,0]=4 4837 B12R0.239 CCCS(=O)CC(=O)NCCCF 240690a_100015189416_100011387404 [0,1,0,0,0,0|3,0,0]=4 4838 B12R0.239 CCCS(=O)CC(=O)NCCCF 527a_100015189416_100011387404 [0,1,0,0,0,0|3,0,0]=4 4839 B12R0.239 CCCS(=O)CC(=O)NCCCO 240690a_100000182051_100011387404 [0,1,0,0,0,0|3,0,0]=4 4840 B12R0.239 CCCS(=O)CC(=O)NCCCO 527a_100000182051_100011387404 [0,1,0,0,0,0|3,0,0]=4 4841 B12R0.239 CCCS(=O)CC(=O)NCCOC 1626a_100000209980_100011387404 [0,1,0,0,0,0|3,0,0]=4 4842 B12R0.239 CCCS(=O)CC(=O)NCCOC 240690a_100000209980_100011387404 [0,1,0,0,0,0|3,0,0]=4 4843 B12R0.239 CCCS(=O)CC(=O)NCCOC 527a_100000209980_100011387404 [0,1,0,0,0,0|3,0,0]=4 4844 B12R0.239 CCCS(=O)CC(=O)NCCSC 11a_100020590264_100011387404 [0,1,0,0,0,0|3,0,0]=4 4845 B12R0.239 CCCS(=O)CC(=O)NCCSC 1626a_100020590264_100011387404 [0,1,0,0,0,0|3,0,0]=4 4846 B12R0.239 CCCS(=O)CC(=O)NCCSC 240690a_100020590264_100011387404 [0,1,0,0,0,0|3,0,0]=4 4847 B12R0.239 CCCS(=O)CC(=O)NCCSC 527a_100020590264_100011387404 [0,1,0,0,0,0|3,0,0]=4 4848 B12R0.239 CCCSCC(=O)CC(=O)CCC 1458a_100000217233_100000747444 [0,1,0,0,0,0|2,0,1]=4 4849 B12R0.239 CCCSCC(=O)CC(C)CCC 1458a_100000217233_100011216630 [0,1,0,0,0,0|2,0,0]=3 4850 B12R0.239 CCCSCC(=O)NC(C)CCC 11a_100000741246_100000217233 [0,1,0,0,0,0|2,0,0]=3 4851 B12R0.239 CCCSCC(=O)NC(C)CCC 1626a_100000741246_100000217233 [0,1,0,0,0,0|2,0,0]=3 4852 B12R0.239 CCCSCC(=O)NC(C)CCC 240690a_100000741246_100000217233 [0,1,0,0,0,0|2,0,0]=3 4853 B12R0.239 CCCSCC(=O)NC(C)CCC 527a_100000741246_100000217233 [0,1,0,0,0,0|2,0,0]=3 4854 B12R0.239 CCCSCC(=O)N[C@H](C)CCO 240690a_100000706166_100000217233 [0,1,0,0,0,0|3,0,0]=4 4855 B12R0.239 CCCSCC(=O)N[C@H](C)CCO 527a_100000706166_100000217233 [0,1,0,0,0,0|3,0,0]=4 4856 B12R0.239 CCCSCC(=O)N[C@H](C)COC 11a_100000764878_100000217233 [0,1,0,0,0,0|3,0,0]=4 4857 B12R0.239 CCCSCC(=O)N[C@H](C)COC 1626a_100000764878_100000217233 [0,1,0,0,0,0|3,0,0]=4 4858 B12R0.239 CCCSCC(=O)N[C@H](C)COC 240690a_100000764878_100000217233 [0,1,0,0,0,0|3,0,0]=4 4859 B12R0.239 CCCSCC(=O)N[C@H](C)COC 527a_100000764878_100000217233 [0,1,0,0,0,0|3,0,0]=4 4860 B12R0.239 CCOCCC(=O)CC(C)SCC 1458a_200011311441_100011215890 [0,1,0,0,0,0|3,0,0]=4 4861 B12R0.239 CCOCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000749530 [0,1,0,0,0,0|3,0,0]=4 4862 B12R0.239 CCOCCC(=O)N[C@H](C)CCO 527a_100000706166_100000749530 [0,1,0,0,0,0|3,0,0]=4 4863 B12R0.239 CCOCCC(=O)N[C@H](C)COC 11a_100000764878_100000749530 [0,1,0,0,0,0|3,0,0]=4 4864 B12R0.239 CCOCCC(=O)N[C@H](C)COC 1626a_100000764878_100000749530 [0,1,0,0,0,0|3,0,0]=4 4865 B12R0.239 CCOCCC(=O)N[C@H](C)COC 240690a_100000764878_100000749530 [0,1,0,0,0,0|3,0,0]=4 4866 B12R0.239 CCOCCC(=O)N[C@H](C)COC 527a_100000764878_100000749530 [0,1,0,0,0,0|3,0,0]=4 4867 B12R0.239 CCSC(C)CC(=O)CCCCF 1458a_200011311441_100000729493 [0,1,0,0,0,0|3,0,0]=4 4868 B12R0.239 CCSC(C)CC(=O)CCCCO 1458a_200011311441_100000210776 [0,1,0,0,0,0|3,0,0]=4 4869 B12R0.239 CCSC(C)CC(=O)CCCOC 1458a_200011311441_100000740836 [0,1,0,0,0,0|3,0,0]=4 4870 B12R0.239 CCSC(C)CC(=O)NCCCF 11a_100015189416_200011311441 [0,1,0,0,0,0|3,0,0]=4 4871 B12R0.239 CCSC(C)CC(=O)NCCCF 1626a_100015189416_200011311441 [0,1,0,0,0,0|3,0,0]=4 4872 B12R0.239 CCSC(C)CC(=O)NCCCF 240690a_100015189416_200011311441 [0,1,0,0,0,0|3,0,0]=4 4873 B12R0.239 CCSC(C)CC(=O)NCCCF 527a_100015189416_200011311441 [0,1,0,0,0,0|3,0,0]=4 4874 B12R0.239 CCSC(C)CC(=O)NCCCO 240690a_100000182051_200011311441 [0,1,0,0,0,0|3,0,0]=4 4875 B12R0.239 CCSC(C)CC(=O)NCCCO 527a_100000182051_200011311441 [0,1,0,0,0,0|3,0,0]=4 4876 B12R0.239 CCSC(C)CC(=O)NCCOC 1626a_100000209980_200011311441 [0,1,0,0,0,0|3,0,0]=4 4877 B12R0.239 CCSC(C)CC(=O)NCCOC 240690a_100000209980_200011311441 [0,1,0,0,0,0|3,0,0]=4 4878 B12R0.239 CCSC(C)CC(=O)NCCOC 527a_100000209980_200011311441 [0,1,0,0,0,0|3,0,0]=4 4879 B12R0.239 CCSC(C)CC(=O)NCCSC 11a_100020590264_200011311441 [0,1,0,0,0,0|3,0,0]=4 4880 B12R0.239 CCSC(C)CC(=O)NCCSC 1626a_100020590264_200011311441 [0,1,0,0,0,0|3,0,0]=4 4881 B12R0.239 CCSC(C)CC(=O)NCCSC 240690a_100020590264_200011311441 [0,1,0,0,0,0|3,0,0]=4 4882 B12R0.239 CCSC(C)CC(=O)NCCSC 527a_100020590264_200011311441 [0,1,0,0,0,0|3,0,0]=4 4883 B12R0.239 CCSCCC(=O)CC(C)SCC 1458a_200011311441_100000757381 [0,1,0,0,0,0|3,0,0]=4 4884 B12R0.239 CCSCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000230768 [0,1,0,0,0,0|3,0,0]=4 4885 B12R0.239 CCSCCC(=O)N[C@H](C)CCO 527a_100000706166_100000230768 [0,1,0,0,0,0|3,0,0]=4 4886 B12R0.239 CCSCCC(=O)N[C@H](C)COC 11a_100000764878_100000230768 [0,1,0,0,0,0|3,0,0]=4 4887 B12R0.239 CCSCCC(=O)N[C@H](C)COC 1626a_100000764878_100000230768 [0,1,0,0,0,0|3,0,0]=4 4888 B12R0.239 CCSCCC(=O)N[C@H](C)COC 240690a_100000764878_100000230768 [0,1,0,0,0,0|3,0,0]=4 4889 B12R0.239 CCSCCC(=O)N[C@H](C)COC 527a_100000764878_100000230768 [0,1,0,0,0,0|3,0,0]=4 4890 B12R0.239 COCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000741012 [0,1,0,0,0,0|3,0,0]=4 4891 B12R0.239 COCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000741012 [0,1,0,0,0,0|3,0,0]=4 4892 B12R0.239 COCCCC(=O)N[C@H](C)COC 11a_100000764878_100000741012 [0,1,0,0,0,0|3,0,0]=4 4893 B12R0.239 COCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000741012 [0,1,0,0,0,0|3,0,0]=4 4894 B12R0.239 COCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000741012 [0,1,0,0,0,0|3,0,0]=4 4895 B12R0.239 COCCCC(=O)N[C@H](C)COC 527a_100000764878_100000741012 [0,1,0,0,0,0|3,0,0]=4 4896 B12R0.239 COCCOC(=O)CC(=O)CCO 1458a_100011216618_200000040189 [0,1,0,0,0,0|2,0,1]=4 4897 B12R0.239 COCCOC(=O)CC(=O)COC 1458a_100000210968_200000040189 [0,1,0,0,0,0|2,0,1]=4 4898 B12R0.239 COCCOC(=O)CC(=O)CSC 1458a_100000184570_200000040189 [0,1,0,0,0,0|2,0,1]=4 4899 B12R0.239 COCCOC(=O)CN(C)CCO 2230a_100000210263_200000040189 [0,1,0,0,0,0|3,0,0]=4 4900 B12R0.239 COCCOC(=O)CN(C)CCO 269982a_100000210263_200000040189 [0,1,0,0,0,0|3,0,0]=4 4901 B12R0.239 COC[C@@H](C)NC(=O)CCCCO 1626a_100000764878_100000695505 [0,1,0,0,0,0|3,0,0]=4 4902 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 11a_100000764878_100000173376 [0,1,0,0,0,0|3,0,0]=4 4903 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 1626a_100000764878_100000173376 [0,1,0,0,0,0|3,0,0]=4 4904 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 240690a_100000764878_100000173376 [0,1,0,0,0,0|3,0,0]=4 4905 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 527a_100000764878_100000173376 [0,1,0,0,0,0|3,0,0]=4 4906 B12R0.239 CSCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000173376 [0,1,0,0,0,0|3,0,0]=4 4907 B12R0.239 CSCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000173376 [0,1,0,0,0,0|3,0,0]=4 4908 B12R0.634 CCCCCS(=O)(=O)NCCCC 270084a_100000102301_100000753860 [0,1,0,0,0,0|2,0,0]=3 4909 B12R0.634 CCCCCS(=O)(=O)NCCCC 274078a_100000102301_100000753860 [0,1,0,0,0,0|2,0,0]=3 4910 B12R0.634 CCCCCS(=O)(=O)NCCCF 270084a_100015189416_100000753860 [0,1,0,0,0,0|3,0,0]=4 4911 B12R0.634 CCCCCS(=O)(=O)NCCCF 274078a_100015189416_100000753860 [0,1,0,0,0,0|3,0,0]=4 4912 B12R0.634 CCCCCS(=O)(=O)NCCCO 270084a_100000182051_100000753860 [0,1,0,0,0,0|3,0,0]=4 4913 B12R0.634 CCCCCS(=O)(=O)NCCCO 274078a_100000182051_100000753860 [0,1,0,0,0,0|3,0,0]=4 4914 B12R0.634 CCCCCS(=O)(=O)NCCOC 270084a_100000209980_100000753860 [0,1,0,0,0,0|3,0,0]=4 4915 B12R0.634 CCCCCS(=O)(=O)NCCOC 274078a_100000209980_100000753860 [0,1,0,0,0,0|3,0,0]=4 4916 B12R0.634 CCCCCS(=O)(=O)NCCSC 270084a_100020590264_100000753860 [0,1,0,0,0,0|3,0,0]=4 4917 B12R0.634 CCCCCS(=O)(=O)NCCSC 274078a_100020590264_100000753860 [0,1,0,0,0,0|3,0,0]=4 4918 B12R0.634 CCCCNS(=O)(=O)CCCCCl 270084a_100000102301_100000021705 [0,1,0,0,0,0|3,0,0]=4 4919 B12R0.634 CCCCNS(=O)(=O)CCOCC 270084a_100000102301_100000747040 [0,1,0,0,0,0|3,0,0]=4 4920 B12R0.634 CCCCNS(=O)(=O)CCOCC 274078a_100000102301_100000747040 [0,1,0,0,0,0|3,0,0]=4 4921 B12R0.648 C#CCCCC(=O)C(C)CCCC 1458a_100000690238_200011215066 [0,1,0,0,0,0|1,0,2]=4 4922 B12R0.648 C#CCCCC(=O)C(C)CCCC 1458a_100000725509_100000731252 [0,1,0,0,0,0|1,0,2]=4 4923 B12R0.648 C#CCCCC(=O)C(O)CCCC 1458a_100000720857_100000731252 [0,1,0,0,0,0|1,0,2]=4 4924 B12R0.648 C#CCCCC(=O)N(C)CCCC 11a_100000207549_100000690238 [0,1,0,0,0,0|1,0,2]=4 4925 B12R0.648 C#CCCCC(=O)N(C)CCCC 1626a_100000207549_100000690238 [0,1,0,0,0,0|1,0,2]=4 4926 B12R0.648 C#CCCCC(=O)N(C)CCCC 240690a_100000207549_100000690238 [0,1,0,0,0,0|1,0,2]=4 4927 B12R0.648 C#CCCCC(=O)N(C)CCCC 527a_100000207549_100000690238 [0,1,0,0,0,0|1,0,2]=4 4928 B12R0.648 C#CCCNC(=O)C(C)CCCC 11a_100000755551_100000725509 [0,1,0,0,0,0|1,0,2]=4 4929 B12R0.648 C#CCCNC(=O)C(C)CCCC 1626a_100000755551_100000725509 [0,1,0,0,0,0|1,0,2]=4 4930 B12R0.648 C#CCCNC(=O)C(C)CCCC 240690a_100000755551_100000725509 [0,1,0,0,0,0|1,0,2]=4 4931 B12R0.648 C#CCCNC(=O)C(C)CCCC 527a_100000755551_100000725509 [0,1,0,0,0,0|1,0,2]=4 4932 B12R0.648 C#CCCNC(=O)C(O)CCCC 240690a_100000755551_100000720857 [0,1,0,0,0,0|1,0,2]=4 4933 B12R0.648 C#CCCNC(=O)C(O)CCCC 527a_100000755551_100000720857 [0,1,0,0,0,0|1,0,2]=4 4934 B12R0.648 C#CCNC(C)C(=O)OCCCC 34a_100000212058_100000759602 [0,1,0,0,0,0|1,0,2]=4 4935 B12R0.648 C#CCOC(C)C(=O)OCCCC 34a_100000038973_100000184674 [0,1,0,0,0,0|1,0,2]=4 4936 B12R0.648 C#CCOC(C)C(=O)OCCCC 34a_100000210247_100000759602 [0,1,0,0,0,0|1,0,2]=4 4937 B12R0.648 C#CCOC(C)C(=O)OCCCC 7a_100000038973_100000038162 [0,1,0,0,0,0|1,0,2]=4 4938 B12R0.648 C#CCSC(C)C(=O)OCCCC 62a_100000038162_100000759602 [0,1,0,0,0,0|1,0,2]=4 4939 B12R0.648 C=CCCCC(=O)C(C)CCCC 1458a_100000725509_100000757094 [0,1,0,0,0,0|1,0,2]=4 4940 B12R0.648 C=CCCCC(=O)C(C)CCCC 1458a_100000766728_200011215066 [0,1,0,0,0,0|1,0,2]=4 4941 B12R0.648 C=CCCCC(=O)C(O)CCCC 1458a_100000720857_100000757094 [0,1,0,0,0,0|1,0,2]=4 4942 B12R0.648 C=CCCCC(=O)N(C)CCCC 11a_100000207549_100000766728 [0,1,0,0,0,0|1,0,2]=4 4943 B12R0.648 C=CCCCC(=O)N(C)CCCC 1626a_100000207549_100000766728 [0,1,0,0,0,0|1,0,2]=4 4944 B12R0.648 C=CCCCC(=O)N(C)CCCC 240690a_100000207549_100000766728 [0,1,0,0,0,0|1,0,2]=4 4945 B12R0.648 C=CCCCC(=O)N(C)CCCC 527a_100000207549_100000766728 [0,1,0,0,0,0|1,0,2]=4 4946 B12R0.648 C=CCCN(C)C(=O)CCCCC 11a_100020639649_100000212188 [0,1,0,0,0,0|1,0,2]=4 4947 B12R0.648 C=CCCN(C)C(=O)CCCCC 1626a_100020639649_100000212188 [0,1,0,0,0,0|1,0,2]=4 4948 B12R0.648 C=CCCN(C)C(=O)CCCCC 240690a_100020639649_100000212188 [0,1,0,0,0,0|1,0,2]=4 4949 B12R0.648 C=CCCN(C)C(=O)CCCCC 527a_100020639649_100000212188 [0,1,0,0,0,0|1,0,2]=4 4950 B12R0.648 C=CCCNC(=O)C(C)CCCC 11a_100015191253_100000725509 [0,1,0,0,0,0|1,0,2]=4 4951 B12R0.648 C=CCCNC(=O)C(C)CCCC 1626a_100015191253_100000725509 [0,1,0,0,0,0|1,0,2]=4 4952 B12R0.648 C=CCCNC(=O)C(C)CCCC 240690a_100015191253_100000725509 [0,1,0,0,0,0|1,0,2]=4 4953 B12R0.648 C=CCCNC(=O)C(C)CCCC 527a_100015191253_100000725509 [0,1,0,0,0,0|1,0,2]=4 4954 B12R0.648 C=CCCNC(=O)C(O)CCCC 240690a_100015191253_100000720857 [0,1,0,0,0,0|1,0,2]=4 4955 B12R0.648 C=CCCNC(=O)C(O)CCCC 527a_100015191253_100000720857 [0,1,0,0,0,0|1,0,2]=4 4956 B12R0.648 C=CCNC(C)C(=O)OCCCC 2230a_100020586998_100000759602 [0,1,0,0,0,0|1,0,2]=4 4957 B12R0.648 C=CCOC(C)C(=O)OCCCC 34a_100000038973_100015514636 [0,1,0,0,0,0|1,0,2]=4 4958 B12R0.648 C=CCOC(C)C(=O)OCCCC 34a_200000210373_100000759602 [0,1,0,0,0,0|1,0,2]=4 4959 B12R0.648 C=CCOC(C)C(=O)OCCCC 7a_100000038973_100015514636 [0,1,0,0,0,0|1,0,2]=4 4960 B12R0.648 C=CCSC(C)C(=O)OCCCC 62a_100000210623_100000759602 [0,1,0,0,0,0|1,0,2]=4 4961 B12R0.648 C=CCSC(C)C(=O)OCCCC 62a_100000759602_100000210623 [0,1,0,0,0,0|1,0,2]=4 4962 B12R0.648 CC#CCNC(=O)C(C)CCCC 11a_100000685387_100000725509 [0,1,0,0,0,0|1,0,2]=4 4963 B12R0.648 CC#CCNC(=O)C(C)CCCC 1626a_100000685387_100000725509 [0,1,0,0,0,0|1,0,2]=4 4964 B12R0.648 CC#CCNC(=O)C(C)CCCC 527a_100000685387_100000725509 [0,1,0,0,0,0|1,0,2]=4 4965 B12R0.648 CC#CCNC(=O)C(O)CCCC 527a_100000685387_100000720857 [0,1,0,0,0,0|1,0,2]=4 4966 B12R0.648 CC/C=C/CC(=O)C(C)CCCC 1458a_100016274230_200011215066 [0,1,0,0,0,0|1,0,2]=4 4967 B12R0.648 CC/C=C/CC(=O)N(C)CCCC 11a_100000207549_100016274230 [0,1,0,0,0,0|1,0,2]=4 4968 B12R0.648 CC/C=C/CC(=O)N(C)CCCC 1626a_100000207549_100016274230 [0,1,0,0,0,0|1,0,2]=4 4969 B12R0.648 CC/C=C/CC(=O)N(C)CCCC 240690a_100000207549_100016274230 [0,1,0,0,0,0|1,0,2]=4 4970 B12R0.648 CC/C=C/CC(=O)N(C)CCCC 527a_100000207549_100016274230 [0,1,0,0,0,0|1,0,2]=4 4971 B12R0.648 CC/C=C\CC(=O)C(C)CCCC 1458a_100000725509_100103147603 [0,1,0,0,0,0|1,0,2]=4 4972 B12R0.648 CC/C=C\CC(=O)C(O)CCCC 1458a_100000720857_100103147603 [0,1,0,0,0,0|1,0,2]=4 4973 B12R0.648 CCC#CCC(=O)C(C)CCCC 1458a_100000725509_100009813939 [0,1,0,0,0,0|1,0,2]=4 4974 B12R0.648 CCC#CCC(=O)C(O)CCCC 1458a_100000720857_100009813939 [0,1,0,0,0,0|1,0,2]=4 4975 B12R0.648 CCC/C=C(\C)/C(=O)CCCCC 1458a_200020648666_100000210326 [0,1,0,0,0,0|1,0,1]=3 4976 B12R0.648 CCC/C=C(\C)/C(=O)CCCCF 1458a_200020648666_100000729493 [0,1,0,0,0,0|2,0,1]=4 4977 B12R0.648 CCC/C=C(\C)/C(=O)CCCCO 1458a_200020648666_100000210776 [0,1,0,0,0,0|2,0,1]=4 4978 B12R0.648 CCC/C=C(\C)/C(=O)CCCOC 1458a_200020648666_100000740836 [0,1,0,0,0,0|2,0,1]=4 4979 B12R0.648 CCC/C=C(\C)/C(=O)CCOCC 1458a_200020648666_100011215890 [0,1,0,0,0,0|2,0,1]=4 4980 B12R0.648 CCC/C=C(\C)/C(=O)CCSCC 1458a_200020648666_100000757381 [0,1,0,0,0,0|2,0,1]=4 4981 B12R0.648 CCC/C=C(\C)/C(=O)NCCCC 11a_100000102301_200020648666 [0,1,0,0,0,0|1,0,2]=4 4982 B12R0.648 CCC/C=C(\C)/C(=O)NCCCC 1626a_100000102301_200020648666 [0,1,0,0,0,0|1,0,2]=4 4983 B12R0.648 CCC/C=C(\C)/C(=O)NCCCC 240690a_100000102301_200020648666 [0,1,0,0,0,0|1,0,2]=4 4984 B12R0.648 CCCC#CC(=O)C(C)CCCC 1458a_200011218047_200011215066 [0,1,0,0,0,0|1,0,1]=3 4985 B12R0.648 CCCC#CC(=O)N(C)CCCC 240690a_100000207549_200011218047 [0,1,0,0,0,0|1,0,2]=4 4986 B12R0.648 CCCC=CC(=O)C(C)CCCC 1458a_100000212230_200011215066 [0,1,0,0,0,0|1,0,1]=3 4987 B12R0.648 CCCC=CC(=O)N(C)CCCC 11a_100000207549_100000212230 [0,1,0,0,0,0|1,0,2]=4 4988 B12R0.648 CCCC=CC(=O)N(C)CCCC 1626a_100000207549_100000212230 [0,1,0,0,0,0|1,0,2]=4 4989 B12R0.648 CCCC=CC(=O)N(C)CCCC 240690a_100000207549_100000212230 [0,1,0,0,0,0|1,0,2]=4 4990 B12R0.648 CCCCC(C)C(=O)C=CCOC 1458a_100016285016_200011215066 [0,1,0,0,0,0|2,0,1]=4 4991 B12R0.648 CCCCC(C)C(=O)C=COCC 1458a_100016266692_200011215066 [0,1,0,0,0,0|2,0,1]=4 4992 B12R0.648 CCCCC(C)C(=O)CCCC#N 1458a_100000075515_200011215066 [0,1,0,0,0,0|2,0,1]=4 4993 B12R0.648 CCCCC(C)C(=O)CCCC#N 1458a_100000725509_100000211468 [0,1,0,0,0,0|2,0,1]=4 4994 B12R0.648 CCCCC(C)C(=O)CCCCF 1458a_100000725509_100000729493 [0,1,0,0,0,0|2,0,0]=3 4995 B12R0.648 CCCCC(C)C(=O)CCCCO 1458a_100000695505_200011215066 [0,1,0,0,0,0|2,0,0]=3 4996 B12R0.648 CCCCC(C)C(=O)CCCCO 1458a_100000725509_100000210776 [0,1,0,0,0,0|2,0,0]=3 4997 B12R0.648 CCCCC(C)C(=O)CCCOC 1458a_100000725509_100000740836 [0,1,0,0,0,0|2,0,0]=3 4998 B12R0.648 CCCCC(C)C(=O)CCCOC 1458a_100000741012_200011215066 [0,1,0,0,0,0|2,0,0]=3 4999 B12R0.648 CCCCC(C)C(=O)CCCSC 1458a_100000173376_200011215066 [0,1,0,0,0,0|2,0,0]=3 5000 B12R0.648 CCCCC(C)C(=O)CCOCC 1458a_100000725509_100011215890 [0,1,0,0,0,0|2,0,0]=3 5001 B12R0.648 CCCCC(C)C(=O)CCOCC 1458a_100000749530_200011215066 [0,1,0,0,0,0|2,0,0]=3 5002 B12R0.648 CCCCC(C)C(=O)CCSCC 1458a_100000230768_200011215066 [0,1,0,0,0,0|2,0,0]=3 5003 B12R0.648 CCCCC(C)C(=O)CCSCC 1458a_100000725509_100000757381 [0,1,0,0,0,0|2,0,0]=3 5004 B12R0.648 CCCCC(C)C(=O)COCCC 1458a_100000745993_200011215066 [0,1,0,0,0,0|2,0,0]=3 5005 B12R0.648 CCCCC(C)C(=O)COCCO 1458a_100000708028_200011215066 [0,1,0,0,0,0|3,0,0]=4 5006 B12R0.648 CCCCC(C)C(=O)CSCCC 1458a_100000217233_200011215066 [0,1,0,0,0,0|2,0,0]=3 5007 B12R0.648 CCCCC(C)C(=O)NCCC#N 11a_100000720768_100000725509 [0,1,0,0,0,0|2,0,1]=4 5008 B12R0.648 CCCCC(C)C(=O)NCCC#N 1626a_100000720768_100000725509 [0,1,0,0,0,0|2,0,1]=4 5009 B12R0.648 CCCCC(C)C(=O)NCCC#N 240690a_100000720768_100000725509 [0,1,0,0,0,0|2,0,1]=4 5010 B12R0.648 CCCCC(C)C(=O)NCCC#N 527a_100000720768_100000725509 [0,1,0,0,0,0|2,0,1]=4 5011 B12R0.648 CCCCC(C)C(=O)NCCCF 11a_100015189416_100000725509 [0,1,0,0,0,0|2,0,0]=3 5012 B12R0.648 CCCCC(C)C(=O)NCCCF 1626a_100015189416_100000725509 [0,1,0,0,0,0|2,0,0]=3 5013 B12R0.648 CCCCC(C)C(=O)NCCCF 240690a_100015189416_100000725509 [0,1,0,0,0,0|2,0,0]=3 5014 B12R0.648 CCCCC(C)C(=O)NCCCF 527a_100015189416_100000725509 [0,1,0,0,0,0|2,0,0]=3 5015 B12R0.648 CCCCC(C)C(=O)NCCCO 240690a_100000182051_100000725509 [0,1,0,0,0,0|2,0,0]=3 5016 B12R0.648 CCCCC(C)C(=O)NCCCO 527a_100000182051_100000725509 [0,1,0,0,0,0|2,0,0]=3 5017 B12R0.648 CCCCC(C)C(=O)NCCOC 1626a_100000209980_100000725509 [0,1,0,0,0,0|2,0,0]=3 5018 B12R0.648 CCCCC(C)C(=O)NCCOC 240690a_100000209980_100000725509 [0,1,0,0,0,0|2,0,0]=3 5019 B12R0.648 CCCCC(C)C(=O)NCCOC 527a_100000209980_100000725509 [0,1,0,0,0,0|2,0,0]=3 5020 B12R0.648 CCCCC(C)C(=O)NCCSC 11a_100020590264_100000725509 [0,1,0,0,0,0|2,0,0]=3 5021 B12R0.648 CCCCC(C)C(=O)NCCSC 1626a_100020590264_100000725509 [0,1,0,0,0,0|2,0,0]=3 5022 B12R0.648 CCCCC(C)C(=O)NCCSC 240690a_100020590264_100000725509 [0,1,0,0,0,0|2,0,0]=3 5023 B12R0.648 CCCCC(C)C(=O)NCCSC 527a_100020590264_100000725509 [0,1,0,0,0,0|2,0,0]=3 5024 B12R0.648 CCCCC(C)C(=O)NNCCC 22a_100000740057_100000725509 [0,1,0,0,0,0|2,0,0]=3 5025 B12R0.648 CCCCC(C)C(=O)NNCCO 22a_100000210001_100000725509 [0,1,0,0,0,0|3,0,0]=4 5026 B12R0.648 CCCCC(O)C(=O)CCCC#N 1458a_100000720857_100000211468 [0,1,0,0,0,0|2,0,1]=4 5027 B12R0.648 CCCCC(O)C(=O)CCCCF 1458a_100000720857_100000729493 [0,1,0,0,0,0|2,0,0]=3 5028 B12R0.648 CCCCC(O)C(=O)CCCCO 1458a_100000720857_100000210776 [0,1,0,0,0,0|2,0,0]=3 5029 B12R0.648 CCCCC(O)C(=O)CCCOC 1458a_100000720857_100000740836 [0,1,0,0,0,0|2,0,0]=3 5030 B12R0.648 CCCCC(O)C(=O)CCOCC 1458a_100000720857_100011215890 [0,1,0,0,0,0|2,0,0]=3 5031 B12R0.648 CCCCC(O)C(=O)CCSCC 1458a_100000720857_100000757381 [0,1,0,0,0,0|2,0,0]=3 5032 B12R0.648 CCCCC(O)C(=O)NCCC#N 240690a_100000720768_100000720857 [0,1,0,0,0,0|2,0,1]=4 5033 B12R0.648 CCCCC(O)C(=O)NCCC#N 527a_100000720768_100000720857 [0,1,0,0,0,0|2,0,1]=4 5034 B12R0.648 CCCCC(O)C(=O)NCCCF 240690a_100015189416_100000720857 [0,1,0,0,0,0|2,0,0]=3 5035 B12R0.648 CCCCC(O)C(=O)NCCCF 527a_100015189416_100000720857 [0,1,0,0,0,0|2,0,0]=3 5036 B12R0.648 CCCCC(O)C(=O)NCCCO 240690a_100000182051_100000720857 [0,1,0,0,0,0|2,0,0]=3 5037 B12R0.648 CCCCC(O)C(=O)NCCCO 527a_100000182051_100000720857 [0,1,0,0,0,0|2,0,0]=3 5038 B12R0.648 CCCCC(O)C(=O)NCCOC 240690a_100000209980_100000720857 [0,1,0,0,0,0|2,0,0]=3 5039 B12R0.648 CCCCC(O)C(=O)NCCOC 527a_100000209980_100000720857 [0,1,0,0,0,0|2,0,0]=3 5040 B12R0.648 CCCCC(O)C(=O)NCCSC 240690a_100020590264_100000720857 [0,1,0,0,0,0|2,0,0]=3 5041 B12R0.648 CCCCC(O)C(=O)NCCSC 527a_100020590264_100000720857 [0,1,0,0,0,0|2,0,0]=3 5042 B12R0.648 CCCCC(O)C(=O)NNCCC 22a_100000740057_100000720857 [0,1,0,0,0,0|2,0,0]=3 5043 B12R0.648 CCCCC(O)C(=O)NNCCO 22a_100000210001_100000720857 [0,1,0,0,0,0|3,0,0]=4 5044 B12R0.648 CCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210326 [0,1,0,0,0,0|2,0,0]=3 5045 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000212188_200011215066 [0,1,0,0,0,0|1,0,0]=2 5046 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210326 [0,1,0,0,0,0|1,0,0]=2 5047 B12R0.648 CCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210326 [0,1,0,0,0,0|1,0,0]=2 5048 B12R0.648 CCCCCC(=O)C(O)CCSC 1458a_100000685904_100000210326 [0,1,0,0,0,0|2,0,0]=3 5049 B12R0.648 CCCCCC(=O)N(C)CCC#N 11a_100000184479_100000212188 [0,1,0,0,0,0|2,0,1]=4 5050 B12R0.648 CCCCCC(=O)N(C)CCC#N 1626a_100000184479_100000212188 [0,1,0,0,0,0|2,0,1]=4 5051 B12R0.648 CCCCCC(=O)N(C)CCC#N 240690a_100000184479_100000212188 [0,1,0,0,0,0|2,0,1]=4 5052 B12R0.648 CCCCCC(=O)N(C)CCC#N 527a_100000184479_100000212188 [0,1,0,0,0,0|2,0,1]=4 5053 B12R0.648 CCCCCC(=O)N(C)CCCC 11a_100000207549_100000212188 [0,1,0,0,0,0|1,0,0]=2 5054 B12R0.648 CCCCCC(=O)N(C)CCCC 1626a_100000207549_100000212188 [0,1,0,0,0,0|1,0,0]=2 5055 B12R0.648 CCCCCC(=O)N(C)CCCC 240690a_100000207549_100000212188 [0,1,0,0,0,0|1,0,0]=2 5056 B12R0.648 CCCCCC(=O)N(C)CCCC 527a_100000207549_100000212188 [0,1,0,0,0,0|1,0,0]=2 5057 B12R0.648 CCCCCC(=O)N(C)CCCO 240690a_100000213112_100000212188 [0,1,0,0,0,0|2,0,0]=3 5058 B12R0.648 CCCCCC(=O)N(C)CCCO 527a_100000213112_100000212188 [0,1,0,0,0,0|2,0,0]=3 5059 B12R0.648 CCCCCC(=O)N(C)CCOC 11a_100000743101_100000212188 [0,1,0,0,0,0|2,0,0]=3 5060 B12R0.648 CCCCCC(=O)N(C)CCOC 1626a_100000743101_100000212188 [0,1,0,0,0,0|2,0,0]=3 5061 B12R0.648 CCCCCC(=O)N(C)CCOC 240690a_100000743101_100000212188 [0,1,0,0,0,0|2,0,0]=3 5062 B12R0.648 CCCCCC(=O)N(C)CCOC 527a_100000743101_100000212188 [0,1,0,0,0,0|2,0,0]=3 5063 B12R0.648 CCCCCC(=O)N(C)CCSC 11a_100000686725_100000212188 [0,1,0,0,0,0|2,0,0]=3 5064 B12R0.648 CCCCCC(=O)N(C)CCSC 1626a_100000686725_100000212188 [0,1,0,0,0,0|2,0,0]=3 5065 B12R0.648 CCCCCC(=O)N(C)CCSC 240690a_100000686725_100000212188 [0,1,0,0,0,0|2,0,0]=3 5066 B12R0.648 CCCCCC(=O)N(C)CCSC 527a_100000686725_100000212188 [0,1,0,0,0,0|2,0,0]=3 5067 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218191 [0,1,0,0,0,0|2,0,1]=4 5068 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100011215998_100000210211 [0,1,0,0,0,0|2,0,1]=4 5069 B12R0.648 CCCCCC(C)N(C)CCCC 2230a_100000207549_200011218191 [0,1,0,0,0,0|2,0,1]=4 5070 B12R0.648 CCCCCC(C)N(C)CCCC 269982a_100000207549_200011218191 [0,1,0,0,0,0|2,0,1]=4 5071 B12R0.648 CCCCCC(C)N(C)CCCC 270004a_100000207549_100000211708 [0,1,0,0,0,0|2,0,1]=4 5072 B12R0.648 CCCCCN(C)C(=O)CCCC 11a_100000223495_100000210183 [0,1,0,0,0,0|3,0,0]=4 5073 B12R0.648 CCCCCN(C)C(=O)CCCC 1626a_100000223495_100000210183 [0,1,0,0,0,0|3,0,0]=4 5074 B12R0.648 CCCCCN(C)C(=O)CCCC 240690a_100000223495_100000210183 [0,1,0,0,0,0|3,0,0]=4 5075 B12R0.648 CCCCCN(C)C(=O)CCCC 527a_100000223495_100000210183 [0,1,0,0,0,0|3,0,0]=4 5076 B12R0.648 CCCCCN(C)C(C)CCCC 2230a_100000223495_200011215066 [0,1,0,0,0,0|3,0,0]=4 5077 B12R0.648 CCCCCN(C)C(C)CCCC 269982a_100000223495_200011215066 [0,1,0,0,0,0|3,0,0]=4 5078 B12R0.648 CCCCCN(C)C(C)CCCC 270004a_100000223495_100000210087 [0,1,0,0,0,0|3,0,0]=4 5079 B12R0.648 CCCCN(C)C(=O)CCCC#N 11a_100000207549_100000075515 [0,1,0,0,0,0|2,0,1]=4 5080 B12R0.648 CCCCN(C)C(=O)CCCC#N 1626a_100000207549_100000075515 [0,1,0,0,0,0|2,0,1]=4 5081 B12R0.648 CCCCN(C)C(=O)CCCC#N 240690a_100000207549_100000075515 [0,1,0,0,0,0|2,0,1]=4 5082 B12R0.648 CCCCN(C)C(=O)CCCC#N 527a_100000207549_100000075515 [0,1,0,0,0,0|2,0,1]=4 5083 B12R0.648 CCCCN(C)C(=O)CCCCO 1626a_100000207549_100000695505 [0,1,0,0,0,0|2,0,0]=3 5084 B12R0.648 CCCCN(C)C(=O)CCCOC 11a_100000207549_100000741012 [0,1,0,0,0,0|2,0,0]=3 5085 B12R0.648 CCCCN(C)C(=O)CCCOC 1626a_100000207549_100000741012 [0,1,0,0,0,0|2,0,0]=3 5086 B12R0.648 CCCCN(C)C(=O)CCCOC 240690a_100000207549_100000741012 [0,1,0,0,0,0|2,0,0]=3 5087 B12R0.648 CCCCN(C)C(=O)CCCOC 527a_100000207549_100000741012 [0,1,0,0,0,0|2,0,0]=3 5088 B12R0.648 CCCCN(C)C(=O)CCCSC 11a_100000207549_100000173376 [0,1,0,0,0,0|2,0,0]=3 5089 B12R0.648 CCCCN(C)C(=O)CCCSC 1626a_100000207549_100000173376 [0,1,0,0,0,0|2,0,0]=3 5090 B12R0.648 CCCCN(C)C(=O)CCCSC 240690a_100000207549_100000173376 [0,1,0,0,0,0|2,0,0]=3 5091 B12R0.648 CCCCN(C)C(=O)CCCSC 527a_100000207549_100000173376 [0,1,0,0,0,0|2,0,0]=3 5092 B12R0.648 CCCCN(C)C(=O)CCOCC 11a_100000207549_100000749530 [0,1,0,0,0,0|2,0,0]=3 5093 B12R0.648 CCCCN(C)C(=O)CCOCC 1626a_100000207549_100000749530 [0,1,0,0,0,0|2,0,0]=3 5094 B12R0.648 CCCCN(C)C(=O)CCOCC 240690a_100000207549_100000749530 [0,1,0,0,0,0|2,0,0]=3 5095 B12R0.648 CCCCN(C)C(=O)CCOCC 527a_100000207549_100000749530 [0,1,0,0,0,0|2,0,0]=3 5096 B12R0.648 CCCCN(C)C(=O)CCSCC 11a_100000207549_100000230768 [0,1,0,0,0,0|2,0,0]=3 5097 B12R0.648 CCCCN(C)C(=O)CCSCC 1626a_100000207549_100000230768 [0,1,0,0,0,0|2,0,0]=3 5098 B12R0.648 CCCCN(C)C(=O)CCSCC 240690a_100000207549_100000230768 [0,1,0,0,0,0|2,0,0]=3 5099 B12R0.648 CCCCN(C)C(=O)CCSCC 527a_100000207549_100000230768 [0,1,0,0,0,0|2,0,0]=3 5100 B12R0.648 CCCCN(C)C(=O)CNCCF 34a_100000724931_100000230175 [0,1,0,0,0,0|3,0,0]=4 5101 B12R0.648 CCCCN(C)C(=O)CNCCO 2230a_100016997473_100000230175 [0,1,0,0,0,0|3,0,0]=4 5102 B12R0.648 CCCCN(C)C(=O)CNCCO 34a_100016990907_100000230175 [0,1,0,0,0,0|3,0,0]=4 5103 B12R0.648 CCCCN(C)C(=O)COCCBr 34a_100000211926_100000230175 [0,1,0,0,0,0|3,0,0]=4 5104 B12R0.648 CCCCN(C)C(=O)COCCC 11a_100000207549_100000745993 [0,1,0,0,0,0|2,0,0]=3 5105 B12R0.648 CCCCN(C)C(=O)COCCC 1626a_100000207549_100000745993 [0,1,0,0,0,0|2,0,0]=3 5106 B12R0.648 CCCCN(C)C(=O)COCCC 240690a_100000207549_100000745993 [0,1,0,0,0,0|2,0,0]=3 5107 B12R0.648 CCCCN(C)C(=O)COCCC 34a_100000210258_100000230175 [0,1,0,0,0,0|2,0,0]=3 5108 B12R0.648 CCCCN(C)C(=O)COCCC 527a_100000207549_100000745993 [0,1,0,0,0,0|2,0,0]=3 5109 B12R0.648 CCCCN(C)C(=O)COCCN 34a_100000210304_100000230175 [0,1,0,0,0,0|3,0,0]=4 5110 B12R0.648 CCCCN(C)C(=O)COCCO 1626a_100000207549_100000708028 [0,1,0,0,0,0|3,0,0]=4 5111 B12R0.648 CCCCN(C)C(=O)COCCO 240690a_100000207549_100000708028 [0,1,0,0,0,0|3,0,0]=4 5112 B12R0.648 CCCCN(C)C(=O)CSCCC 11a_100000207549_100000217233 [0,1,0,0,0,0|2,0,0]=3 5113 B12R0.648 CCCCN(C)C(=O)CSCCC 1626a_100000207549_100000217233 [0,1,0,0,0,0|2,0,0]=3 5114 B12R0.648 CCCCN(C)C(=O)CSCCC 240690a_100000207549_100000217233 [0,1,0,0,0,0|2,0,0]=3 5115 B12R0.648 CCCCN(C)C(=O)CSCCC 527a_100000207549_100000217233 [0,1,0,0,0,0|2,0,0]=3 5116 B12R0.648 CCCCN(C)C(=O)CSCCC 62a_100000210303_100000230175 [0,1,0,0,0,0|2,0,0]=3 5117 B12R0.648 CCCCN(C)C(=O)CSCCC 62a_100000230175_100000210303 [0,1,0,0,0,0|2,0,0]=3 5118 B12R0.648 CCCCN(C)C(=O)CSCCF 62a_100000230175_100011217306 [0,1,0,0,0,0|3,0,0]=4 5119 B12R0.648 CCCCN(C)C(=O)CSCCF 62a_100011217306_100000230175 [0,1,0,0,0,0|3,0,0]=4 5120 B12R0.648 CCCCN(C)C(=O)CSCCO 62a_100000211926_100000230175 [0,1,0,0,0,0|3,0,0]=4 5121 B12R0.648 CCCCN(C)C(=O)CSCCO 62a_100000230175_100000211926 [0,1,0,0,0,0|3,0,0]=4 5122 B12R0.648 CCCCN(C)C(=O)CSCOC 62a_100000230175_100000766300 [0,1,0,0,0,0|3,0,0]=4 5123 B12R0.648 CCCCN(C)C(=O)CSCOC 62a_100000766300_100000230175 [0,1,0,0,0,0|3,0,0]=4 5124 B12R0.648 CCCCN(C)C(=O)CSCSC 62a_100000230175_100011218213 [0,1,0,0,0,0|3,0,0]=4 5125 B12R0.648 CCCCN(C)C(=O)CSCSC 62a_100011218213_100000230175 [0,1,0,0,0,0|3,0,0]=4 5126 B12R0.648 CCCCN(C)C(=O)NCCCF 2708a_100015189416_100000207549 [0,1,0,0,0,0|3,0,0]=4 5127 B12R0.648 CCCCN(C)C(=O)NCCCF 273464a_100015189416_100000207549 [0,1,0,0,0,0|3,0,0]=4 5128 B12R0.648 CCCCN(C)C(=O)NCCCO 273464a_100000182051_100000207549 [0,1,0,0,0,0|3,0,0]=4 5129 B12R0.648 CCCCN(C)C(=O)NCCOC 273464a_100000209980_100000207549 [0,1,0,0,0,0|3,0,0]=4 5130 B12R0.648 CCCCN(C)C(=O)NCCSC 2708a_100020590264_100000207549 [0,1,0,0,0,0|3,0,0]=4 5131 B12R0.648 CCCCN(C)C(=O)NCCSC 273464a_100020590264_100000207549 [0,1,0,0,0,0|3,0,0]=4 5132 B12R0.648 CCCCNC(=O)C(=O)NCCC 1626a_100000102301_200011297150 [0,1,0,0,0,0|2,0,1]=4 5133 B12R0.648 CCCCNC(=O)C(=O)NCCC 240690a_100000102301_200011297150 [0,1,0,0,0,0|2,0,1]=4 5134 B12R0.648 CCCCNC(=O)C(=O)NCCC 527a_100000102301_200011297150 [0,1,0,0,0,0|2,0,1]=4 5135 B12R0.648 CCCCNC(=O)C(C)CCCC 11a_100000102301_100000725509 [0,1,0,0,0,0|1,0,0]=2 5136 B12R0.648 CCCCNC(=O)C(C)CCCC 1626a_100000102301_100000725509 [0,1,0,0,0,0|1,0,0]=2 5137 B12R0.648 CCCCNC(=O)C(C)CCCC 240690a_100000102301_100000725509 [0,1,0,0,0,0|1,0,0]=2 5138 B12R0.648 CCCCNC(=O)C(C)CCCC 527a_100000102301_100000725509 [0,1,0,0,0,0|1,0,0]=2 5139 B12R0.648 CCCCNC(=O)C(C)NCCF 34a_100000724931_100000735917 [0,1,0,0,0,0|3,0,0]=4 5140 B12R0.648 CCCCNC(=O)C(C)NCCO 2230a_100016997473_100000735917 [0,1,0,0,0,0|3,0,0]=4 5141 B12R0.648 CCCCNC(=O)C(C)NCCO 34a_100016990907_100000735917 [0,1,0,0,0,0|3,0,0]=4 5142 B12R0.648 CCCCNC(=O)C(C)OCCBr 34a_100000211926_100000735917 [0,1,0,0,0,0|3,0,0]=4 5143 B12R0.648 CCCCNC(=O)C(C)OCCC 34a_100000210258_100000735917 [0,1,0,0,0,0|2,0,0]=3 5144 B12R0.648 CCCCNC(=O)C(C)OCCN 34a_100000210304_100000735917 [0,1,0,0,0,0|3,0,0]=4 5145 B12R0.648 CCCCNC(=O)C(C)SCCC 62a_100000210303_100000735917 [0,1,0,0,0,0|2,0,0]=3 5146 B12R0.648 CCCCNC(=O)C(C)SCCC 62a_100000735917_100000210303 [0,1,0,0,0,0|2,0,0]=3 5147 B12R0.648 CCCCNC(=O)C(C)SCCF 62a_100000735917_100011217306 [0,1,0,0,0,0|3,0,0]=4 5148 B12R0.648 CCCCNC(=O)C(C)SCCF 62a_100011217306_100000735917 [0,1,0,0,0,0|3,0,0]=4 5149 B12R0.648 CCCCNC(=O)C(C)SCCO 62a_100000211926_100000735917 [0,1,0,0,0,0|3,0,0]=4 5150 B12R0.648 CCCCNC(=O)C(C)SCCO 62a_100000735917_100000211926 [0,1,0,0,0,0|3,0,0]=4 5151 B12R0.648 CCCCNC(=O)C(C)SCOC 62a_100000735917_100000766300 [0,1,0,0,0,0|3,0,0]=4 5152 B12R0.648 CCCCNC(=O)C(C)SCOC 62a_100000766300_100000735917 [0,1,0,0,0,0|3,0,0]=4 5153 B12R0.648 CCCCNC(=O)C(C)SCSC 62a_100000735917_100011218213 [0,1,0,0,0,0|3,0,0]=4 5154 B12R0.648 CCCCNC(=O)C(C)SCSC 62a_100011218213_100000735917 [0,1,0,0,0,0|3,0,0]=4 5155 B12R0.648 CCCCNC(=O)C(O)CCCC 240690a_100000102301_100000720857 [0,1,0,0,0,0|1,0,0]=2 5156 B12R0.648 CCCCNC(=O)C(O)CCCC 527a_100000102301_100000720857 [0,1,0,0,0,0|1,0,0]=2 5157 B12R0.648 CCCCNC(=O)C(O)CCSC 240690a_100000102301_100000685904 [0,1,0,0,0,0|2,0,0]=3 5158 B12R0.648 CCCCNC(=O)N(C)CCCC 2708a_100000102301_100000207549 [0,1,0,0,0,0|2,0,0]=3 5159 B12R0.648 CCCCNC(=O)N(C)CCCC 273464a_100000102301_100000207549 [0,1,0,0,0,0|2,0,0]=3 5160 B12R0.648 CCCCNC(=O)N(C)CCCO 2708a_100000102301_100000213112 [0,1,0,0,0,0|3,0,0]=4 5161 B12R0.648 CCCCNC(=O)N(C)CCCO 273464a_100000102301_100000213112 [0,1,0,0,0,0|3,0,0]=4 5162 B12R0.648 CCCCNC(=O)N(C)CCOC 2708a_100000102301_100000743101 [0,1,0,0,0,0|3,0,0]=4 5163 B12R0.648 CCCCNC(=O)N(C)CCOC 273464a_100000102301_100000743101 [0,1,0,0,0,0|3,0,0]=4 5164 B12R0.648 CCCCNC(=O)N(C)CCSC 2708a_100000102301_100000686725 [0,1,0,0,0,0|3,0,0]=4 5165 B12R0.648 CCCCNC(=O)N(C)CCSC 273464a_100000102301_100000686725 [0,1,0,0,0,0|3,0,0]=4 5166 B12R0.648 CCCCOC(=O)C(C)NCCF 34a_100000724931_100000759602 [0,1,0,0,0,0|2,0,0]=3 5167 B12R0.648 CCCCOC(=O)C(C)NCCO 2230a_100016997473_100000759602 [0,1,0,0,0,0|2,0,0]=3 5168 B12R0.648 CCCCOC(=O)C(C)NCCO 34a_100016990907_100000759602 [0,1,0,0,0,0|2,0,0]=3 5169 B12R0.648 CCCCOC(=O)C(C)OCC#N 7a_100000038973_100011215382 [0,1,0,0,0,0|2,0,1]=4 5170 B12R0.648 CCCCOC(=O)C(C)OCC=O 34a_100000038973_200009817547 [0,1,0,0,0,0|2,0,1]=4 5171 B12R0.648 CCCCOC(=O)C(C)OCC=O 7a_100000038973_200015260668 [0,1,0,0,0,0|2,0,1]=4 5172 B12R0.648 CCCCOC(=O)C(C)OCCBr 34a_100000211926_100000759602 [0,1,0,0,0,0|2,0,0]=3 5173 B12R0.648 CCCCOC(=O)C(C)OCCC 34a_100000038973_100000210303 [0,1,0,0,0,0|1,0,0]=2 5174 B12R0.648 CCCCOC(=O)C(C)OCCC 34a_100000210258_100000759602 [0,1,0,0,0,0|1,0,0]=2 5175 B12R0.648 CCCCOC(=O)C(C)OCCC 7a_100000038973_100000210303 [0,1,0,0,0,0|1,0,0]=2 5176 B12R0.648 CCCCOC(=O)C(C)OCCF 34a_100000038973_100011217306 [0,1,0,0,0,0|2,0,0]=3 5177 B12R0.648 CCCCOC(=O)C(C)OCCF 7a_100000038973_100011217306 [0,1,0,0,0,0|2,0,0]=3 5178 B12R0.648 CCCCOC(=O)C(C)OCCN 34a_100000210304_100000759602 [0,1,0,0,0,0|2,0,0]=3 5179 B12R0.648 CCCCOC(=O)C(C)OCCO 34a_100000038973_100000211926 [0,1,0,0,0,0|2,0,0]=3 5180 B12R0.648 CCCCOC(=O)C(C)OCCO 7a_100000038973_100000211926 [0,1,0,0,0,0|2,0,0]=3 5181 B12R0.648 CCCCOC(=O)C(C)OCSC 34a_100000038973_100011218213 [0,1,0,0,0,0|2,0,0]=3 5182 B12R0.648 CCCCOC(=O)C(C)SCC#N 62a_100000759602_100011215382 [0,1,0,0,0,0|2,0,1]=4 5183 B12R0.648 CCCCOC(=O)C(C)SCC#N 62a_100011215382_100000759602 [0,1,0,0,0,0|2,0,1]=4 5184 B12R0.648 CCCCOC(=O)C(C)SCC=O 62a_100000759602_200015260668 [0,1,0,0,0,0|2,0,1]=4 5185 B12R0.648 CCCCOC(=O)C(C)SCC=O 62a_200015260668_100000759602 [0,1,0,0,0,0|2,0,1]=4 5186 B12R0.648 CCCCOC(=O)C(C)SCCC 62a_100000210303_100000759602 [0,1,0,0,0,0|1,0,0]=2 5187 B12R0.648 CCCCOC(=O)C(C)SCCC 62a_100000759602_100000210303 [0,1,0,0,0,0|1,0,0]=2 5188 B12R0.648 CCCCOC(=O)C(C)SCCF 62a_100000759602_100011217306 [0,1,0,0,0,0|2,0,0]=3 5189 B12R0.648 CCCCOC(=O)C(C)SCCF 62a_100011217306_100000759602 [0,1,0,0,0,0|2,0,0]=3 5190 B12R0.648 CCCCOC(=O)C(C)SCCO 62a_100000211926_100000759602 [0,1,0,0,0,0|2,0,0]=3 5191 B12R0.648 CCCCOC(=O)C(C)SCCO 62a_100000759602_100000211926 [0,1,0,0,0,0|2,0,0]=3 5192 B12R0.648 CCCCOC(=O)C(C)SCOC 62a_100000759602_100000766300 [0,1,0,0,0,0|2,0,0]=3 5193 B12R0.648 CCCCOC(=O)C(C)SCOC 62a_100000766300_100000759602 [0,1,0,0,0,0|2,0,0]=3 5194 B12R0.648 CCCCOC(=O)C(C)SCSC 62a_100000759602_100011218213 [0,1,0,0,0,0|2,0,0]=3 5195 B12R0.648 CCCCOC(=O)C(C)SCSC 62a_100011218213_100000759602 [0,1,0,0,0,0|2,0,0]=3 5196 B12R0.648 CCCNC(=O)C(=O)CCCCF 1458a_200011297150_100000729493 [0,1,0,0,0,0|3,0,0]=4 5197 B12R0.648 CCCNC(=O)C(=O)CCCCO 1458a_200011297150_100000210776 [0,1,0,0,0,0|3,0,0]=4 5198 B12R0.648 CCCNC(=O)C(=O)CCCOC 1458a_200011297150_100000740836 [0,1,0,0,0,0|3,0,0]=4 5199 B12R0.648 CCCNC(=O)C(=O)CCOCC 1458a_200011297150_100011215890 [0,1,0,0,0,0|3,0,0]=4 5200 B12R0.648 CCCNC(=O)C(=O)CCSCC 1458a_200011297150_100000757381 [0,1,0,0,0,0|3,0,0]=4 5201 B12R0.648 CCCNNC(=O)C(O)CCSC 22a_100000740057_100000685904 [0,1,0,0,0,0|3,0,0]=4 5202 B12R0.648 CCCOCC(=O)N(C)CCCO 240690a_100000213112_100000745993 [0,1,0,0,0,0|3,0,0]=4 5203 B12R0.648 CCCOCC(=O)N(C)CCCO 527a_100000213112_100000745993 [0,1,0,0,0,0|3,0,0]=4 5204 B12R0.648 CCCOCC(=O)N(C)CCOC 11a_100000743101_100000745993 [0,1,0,0,0,0|3,0,0]=4 5205 B12R0.648 CCCOCC(=O)N(C)CCOC 1626a_100000743101_100000745993 [0,1,0,0,0,0|3,0,0]=4 5206 B12R0.648 CCCOCC(=O)N(C)CCOC 240690a_100000743101_100000745993 [0,1,0,0,0,0|3,0,0]=4 5207 B12R0.648 CCCOCC(=O)N(C)CCOC 527a_100000743101_100000745993 [0,1,0,0,0,0|3,0,0]=4 5208 B12R0.648 CCCOCC(=O)N(C)CCSC 11a_100000686725_100000745993 [0,1,0,0,0,0|3,0,0]=4 5209 B12R0.648 CCCOCC(=O)N(C)CCSC 1626a_100000686725_100000745993 [0,1,0,0,0,0|3,0,0]=4 5210 B12R0.648 CCCOCC(=O)N(C)CCSC 240690a_100000686725_100000745993 [0,1,0,0,0,0|3,0,0]=4 5211 B12R0.648 CCCOCC(=O)N(C)CCSC 527a_100000686725_100000745993 [0,1,0,0,0,0|3,0,0]=4 5212 B12R0.648 CCCSC(C)C(=O)NCCOC 62a_100000210303_100000230274 [0,1,0,0,0,0|3,0,0]=4 5213 B12R0.648 CCCSC(C)C(=O)NCCOC 62a_100000230274_100000210303 [0,1,0,0,0,0|3,0,0]=4 5214 B12R0.648 CCCSCC(=O)N(C)CCCO 240690a_100000213112_100000217233 [0,1,0,0,0,0|3,0,0]=4 5215 B12R0.648 CCCSCC(=O)N(C)CCCO 527a_100000213112_100000217233 [0,1,0,0,0,0|3,0,0]=4 5216 B12R0.648 CCCSCC(=O)N(C)CCOC 11a_100000743101_100000217233 [0,1,0,0,0,0|3,0,0]=4 5217 B12R0.648 CCCSCC(=O)N(C)CCOC 1626a_100000743101_100000217233 [0,1,0,0,0,0|3,0,0]=4 5218 B12R0.648 CCCSCC(=O)N(C)CCOC 240690a_100000743101_100000217233 [0,1,0,0,0,0|3,0,0]=4 5219 B12R0.648 CCCSCC(=O)N(C)CCOC 527a_100000743101_100000217233 [0,1,0,0,0,0|3,0,0]=4 5220 B12R0.648 CCCSCC(=O)N(C)CCSC 11a_100000686725_100000217233 [0,1,0,0,0,0|3,0,0]=4 5221 B12R0.648 CCCSCC(=O)N(C)CCSC 1626a_100000686725_100000217233 [0,1,0,0,0,0|3,0,0]=4 5222 B12R0.648 CCCSCC(=O)N(C)CCSC 240690a_100000686725_100000217233 [0,1,0,0,0,0|3,0,0]=4 5223 B12R0.648 CCCSCC(=O)N(C)CCSC 527a_100000686725_100000217233 [0,1,0,0,0,0|3,0,0]=4 5224 B12R0.648 CCOCCC(=O)C(O)CCSC 1458a_100000685904_100011215890 [0,1,0,0,0,0|3,0,0]=4 5225 B12R0.648 CCOCCC(=O)N(C)CCCO 240690a_100000213112_100000749530 [0,1,0,0,0,0|3,0,0]=4 5226 B12R0.648 CCOCCC(=O)N(C)CCCO 527a_100000213112_100000749530 [0,1,0,0,0,0|3,0,0]=4 5227 B12R0.648 CCOCCC(=O)N(C)CCOC 11a_100000743101_100000749530 [0,1,0,0,0,0|3,0,0]=4 5228 B12R0.648 CCOCCC(=O)N(C)CCOC 1626a_100000743101_100000749530 [0,1,0,0,0,0|3,0,0]=4 5229 B12R0.648 CCOCCC(=O)N(C)CCOC 240690a_100000743101_100000749530 [0,1,0,0,0,0|3,0,0]=4 5230 B12R0.648 CCOCCC(=O)N(C)CCOC 527a_100000743101_100000749530 [0,1,0,0,0,0|3,0,0]=4 5231 B12R0.648 CCOCCC(=O)N(C)CCSC 11a_100000686725_100000749530 [0,1,0,0,0,0|3,0,0]=4 5232 B12R0.648 CCOCCC(=O)N(C)CCSC 1626a_100000686725_100000749530 [0,1,0,0,0,0|3,0,0]=4 5233 B12R0.648 CCOCCC(=O)N(C)CCSC 240690a_100000686725_100000749530 [0,1,0,0,0,0|3,0,0]=4 5234 B12R0.648 CCOCCC(=O)N(C)CCSC 527a_100000686725_100000749530 [0,1,0,0,0,0|3,0,0]=4 5235 B12R0.648 CCSCCC(=O)C(O)CCSC 1458a_100000685904_100000757381 [0,1,0,0,0,0|3,0,0]=4 5236 B12R0.648 CCSCCC(=O)N(C)CCCO 240690a_100000213112_100000230768 [0,1,0,0,0,0|3,0,0]=4 5237 B12R0.648 CCSCCC(=O)N(C)CCCO 527a_100000213112_100000230768 [0,1,0,0,0,0|3,0,0]=4 5238 B12R0.648 CCSCCC(=O)N(C)CCOC 11a_100000743101_100000230768 [0,1,0,0,0,0|3,0,0]=4 5239 B12R0.648 CCSCCC(=O)N(C)CCOC 1626a_100000743101_100000230768 [0,1,0,0,0,0|3,0,0]=4 5240 B12R0.648 CCSCCC(=O)N(C)CCOC 240690a_100000743101_100000230768 [0,1,0,0,0,0|3,0,0]=4 5241 B12R0.648 CCSCCC(=O)N(C)CCOC 527a_100000743101_100000230768 [0,1,0,0,0,0|3,0,0]=4 5242 B12R0.648 CCSCCC(=O)N(C)CCSC 11a_100000686725_100000230768 [0,1,0,0,0,0|3,0,0]=4 5243 B12R0.648 CCSCCC(=O)N(C)CCSC 1626a_100000686725_100000230768 [0,1,0,0,0,0|3,0,0]=4 5244 B12R0.648 CCSCCC(=O)N(C)CCSC 240690a_100000686725_100000230768 [0,1,0,0,0,0|3,0,0]=4 5245 B12R0.648 CCSCCC(=O)N(C)CCSC 527a_100000686725_100000230768 [0,1,0,0,0,0|3,0,0]=4 5246 B12R0.648 COCCCC(=O)C(O)CCSC 1458a_100000685904_100000740836 [0,1,0,0,0,0|3,0,0]=4 5247 B12R0.648 COCCCC(=O)N(C)CCCO 240690a_100000213112_100000741012 [0,1,0,0,0,0|3,0,0]=4 5248 B12R0.648 COCCCC(=O)N(C)CCCO 527a_100000213112_100000741012 [0,1,0,0,0,0|3,0,0]=4 5249 B12R0.648 COCCCC(=O)N(C)CCOC 11a_100000743101_100000741012 [0,1,0,0,0,0|3,0,0]=4 5250 B12R0.648 COCCCC(=O)N(C)CCOC 1626a_100000743101_100000741012 [0,1,0,0,0,0|3,0,0]=4 5251 B12R0.648 COCCCC(=O)N(C)CCOC 240690a_100000743101_100000741012 [0,1,0,0,0,0|3,0,0]=4 5252 B12R0.648 COCCCC(=O)N(C)CCOC 527a_100000743101_100000741012 [0,1,0,0,0,0|3,0,0]=4 5253 B12R0.648 COCCCC(=O)N(C)CCSC 11a_100000686725_100000741012 [0,1,0,0,0,0|3,0,0]=4 5254 B12R0.648 COCCCC(=O)N(C)CCSC 1626a_100000686725_100000741012 [0,1,0,0,0,0|3,0,0]=4 5255 B12R0.648 COCCCC(=O)N(C)CCSC 240690a_100000686725_100000741012 [0,1,0,0,0,0|3,0,0]=4 5256 B12R0.648 COCCCC(=O)N(C)CCSC 527a_100000686725_100000741012 [0,1,0,0,0,0|3,0,0]=4 5257 B12R0.648 COCCN(C)C(=O)CCCCO 1626a_100000743101_100000695505 [0,1,0,0,0,0|3,0,0]=4 5258 B12R0.648 COCCN(C)C(=O)CCCSC 11a_100000743101_100000173376 [0,1,0,0,0,0|3,0,0]=4 5259 B12R0.648 COCCN(C)C(=O)CCCSC 1626a_100000743101_100000173376 [0,1,0,0,0,0|3,0,0]=4 5260 B12R0.648 COCCN(C)C(=O)CCCSC 240690a_100000743101_100000173376 [0,1,0,0,0,0|3,0,0]=4 5261 B12R0.648 COCCN(C)C(=O)CCCSC 527a_100000743101_100000173376 [0,1,0,0,0,0|3,0,0]=4 5262 B12R0.648 COCCNC(=O)C(O)CCSC 240690a_100000209980_100000685904 [0,1,0,0,0,0|3,0,0]=4 5263 B12R0.648 CSCCC(O)C(=O)CCCCF 1458a_100000685904_100000729493 [0,1,0,0,0,0|3,0,0]=4 5264 B12R0.648 CSCCC(O)C(=O)CCCCO 1458a_100000685904_100000210776 [0,1,0,0,0,0|3,0,0]=4 5265 B12R0.648 CSCCC(O)C(=O)NCCCF 240690a_100015189416_100000685904 [0,1,0,0,0,0|3,0,0]=4 5266 B12R0.648 CSCCC(O)C(=O)NCCCO 240690a_100000182051_100000685904 [0,1,0,0,0,0|3,0,0]=4 5267 B12R0.648 CSCCCC(=O)N(C)CCCO 240690a_100000213112_100000173376 [0,1,0,0,0,0|3,0,0]=4 5268 B12R0.648 CSCCCC(=O)N(C)CCCO 527a_100000213112_100000173376 [0,1,0,0,0,0|3,0,0]=4 5269 B12R0.648 CSCCCC(=O)N(C)CCSC 11a_100000686725_100000173376 [0,1,0,0,0,0|3,0,0]=4 5270 B12R0.648 CSCCCC(=O)N(C)CCSC 1626a_100000686725_100000173376 [0,1,0,0,0,0|3,0,0]=4 5271 B12R0.648 CSCCCC(=O)N(C)CCSC 240690a_100000686725_100000173376 [0,1,0,0,0,0|3,0,0]=4 5272 B12R0.648 CSCCCC(=O)N(C)CCSC 527a_100000686725_100000173376 [0,1,0,0,0,0|3,0,0]=4 5273 B12R0.648 CSCCN(C)C(=O)CCCCO 1626a_100000686725_100000695505 [0,1,0,0,0,0|3,0,0]=4 5274 B12R0.648 CSCCNC(=O)C(O)CCSC 240690a_100020590264_100000685904 [0,1,0,0,0,0|3,0,0]=4 5275 B12R1.18 CCCNC1CCCCNC1=O 2230a_100000698827_100000210303 [0,0,0,1,0,0|2,0,0]=3 5276 B12R1.18 CCCNC1CCCCNC1=O 34a_100000698827_100000210303 [0,0,0,1,0,0|2,0,0]=3 5277 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,0,0,1,0,0|2,0,0]=3 5278 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,0,0,1,0,0|2,0,0]=3 5279 B12R1.18 CCCSC1CCCCNC1=O 62a_100000210303_100000735217 [0,0,0,1,0,0|2,0,0]=3 5280 B12R1.18 CCCSC1CCCCNC1=O 62a_100000735217_100000210303 [0,0,0,1,0,0|2,0,0]=3 5281 B12R1.18 COCNC1CCCCNC1=O 2230a_100000698827_100000766300 [0,0,0,1,0,0|3,0,0]=4 5282 B12R1.18 COCSC1CCCCCC1=O 62a_100000243696_100000766300 [0,0,0,1,0,0|3,0,0]=4 5283 B12R1.18 COCSC1CCCCCC1=O 62a_100000766300_100000243696 [0,0,0,1,0,0|3,0,0]=4 5284 B12R1.18 COCSC1CCCCNC1=O 62a_100000735217_100000766300 [0,0,0,1,0,0|3,0,0]=4 5285 B12R1.18 COCSC1CCCCNC1=O 62a_100000766300_100000735217 [0,0,0,1,0,0|3,0,0]=4 5286 B12R1.18 CSCNC1CCCCNC1=O 2230a_100000698827_100011218213 [0,0,0,1,0,0|3,0,0]=4 5287 B12R1.18 CSCNC1CCCCNC1=O 34a_100000698827_100011218213 [0,0,0,1,0,0|3,0,0]=4 5288 B12R1.18 CSCSC1CCCCCC1=O 62a_100000243696_100011218213 [0,0,0,1,0,0|3,0,0]=4 5289 B12R1.18 CSCSC1CCCCCC1=O 62a_100011218213_100000243696 [0,0,0,1,0,0|3,0,0]=4 5290 B12R1.18 CSCSC1CCCCNC1=O 62a_100000735217_100011218213 [0,0,0,1,0,0|3,0,0]=4 5291 B12R1.18 CSCSC1CCCCNC1=O 62a_100011218213_100000735217 [0,0,0,1,0,0|3,0,0]=4 5292 B12R1.18 O=C1CCCCCC1SCCF 62a_100000243696_100011217306 [0,0,0,1,0,0|3,0,0]=4 5293 B12R1.18 O=C1CCCCCC1SCCF 62a_100011217306_100000243696 [0,0,0,1,0,0|3,0,0]=4 5294 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [0,0,0,1,0,0|3,0,0]=4 5295 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [0,0,0,1,0,0|3,0,0]=4 5296 B12R1.18 O=C1NCCCCC1NCCF 2230a_100000698827_100011217306 [0,0,0,1,0,0|3,0,0]=4 5297 B12R1.18 O=C1NCCCCC1NCCF 34a_100000698827_100011217306 [0,0,0,1,0,0|3,0,0]=4 5298 B12R1.18 O=C1NCCCCC1NCCO 2230a_100000698827_100000211926 [0,0,0,1,0,0|3,0,0]=4 5299 B12R1.18 O=C1NCCCCC1NCCO 2230a_100016997473_100000735217 [0,0,0,1,0,0|3,0,0]=4 5300 B12R1.18 O=C1NCCCCC1NCCO 34a_100000698827_100000211926 [0,0,0,1,0,0|3,0,0]=4 5301 B12R1.18 O=C1NCCCCC1SCCF 62a_100000735217_100011217306 [0,0,0,1,0,0|3,0,0]=4 5302 B12R1.18 O=C1NCCCCC1SCCF 62a_100011217306_100000735217 [0,0,0,1,0,0|3,0,0]=4 5303 B12R1.18 O=C1NCCCCC1SCCO 62a_100000211926_100000735217 [0,0,0,1,0,0|3,0,0]=4 5304 B12R1.18 O=C1NCCCCC1SCCO 62a_100000735217_100000211926 [0,0,0,1,0,0|3,0,0]=4 5305 B12R1.28 CC1CCCC(C1)OCCCF 34a_100000211399_100011934791 [0,0,0,1,0,0|2,0,1]=4 5306 B12R1.28 CC1CCCC(C1)OCCCO 34a_100000211399_100000230001 [0,0,0,1,0,0|2,0,1]=4 5307 B12R1.28 CCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210326 [0,0,0,1,0,0|3,0,0]=4 5308 B12R1.28 CCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210215 [0,0,0,1,0,0|3,0,0]=4 5309 B12R1.28 CCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000718602 [0,0,0,1,0,0|3,0,0]=4 5310 B12R1.28 CCCCNC1CCCC(C1)C 2230a_100011194320_100000210211 [0,0,0,1,0,0|2,0,1]=4 5311 B12R1.28 CCCCNC1CCCC(C1)C 270004a_100000102301_100000183594 [0,0,0,1,0,0|2,0,1]=4 5312 B12R1.28 CCCCNC1CCCC(C1)C 34a_100011194320_100000210210 [0,0,0,1,0,0|2,0,1]=4 5313 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,0,0,1,0,0|1,0,2]=4 5314 B12R1.28 CCCCOC1CCCC(C1)C 34a_100000211399_100000210210 [0,0,0,1,0,0|1,0,1]=3 5315 B12R1.28 CCCCOC1CCOC(C1)C 34a_100011986385_100000210210 [0,0,0,1,0,0|2,0,1]=4 5316 B12R1.28 CCCCOC1CCOC(C1)C 7a_100011986385_100000210211 [0,0,0,1,0,0|2,0,1]=4 5317 B12R1.28 CCCNN=C1CCCC(C1)C 4a_100000740057_100000183594 [0,0,0,1,0,0|3,0,0]=4 5318 B12R1.28 COCCOC1CCCC(C1)C 34a_100000211399_100011201679 [0,0,0,1,0,0|2,0,1]=4 5319 B12R1.28 CSCCOC1CCCC(C1)C 34a_100000211399_100000212216 [0,0,0,1,0,0|2,0,1]=4 5320 B12R1.35 C#CCCCC(=O)C1CCCC1 1458a_100000210718_100000731252 [0,0,0,1,0,0|1,0,2]=4 5321 B12R1.35 C#CCCCC(=O)C1CCCC1 1458a_100000690238_100000179811 [0,0,0,1,0,0|1,0,2]=4 5322 B12R1.35 C#CCCCC(=O)N1CCCC1 240690a_100000188435_100000690238 [0,0,0,1,0,0|1,0,2]=4 5323 B12R1.35 C#CCCCC(=O)N1CCCC1 527a_100000188435_100000690238 [0,0,0,1,0,0|1,0,2]=4 5324 B12R1.35 C#CCCNC(=O)C1CCCC1 11a_100000755551_100000210718 [0,0,0,1,0,0|1,0,2]=4 5325 B12R1.35 C#CCCNC(=O)C1CCCC1 1626a_100000755551_100000210718 [0,0,0,1,0,0|1,0,2]=4 5326 B12R1.35 C#CCCNC(=O)C1CCCC1 240690a_100000755551_100000210718 [0,0,0,1,0,0|1,0,2]=4 5327 B12R1.35 C#CCCNC(=O)C1CCCC1 527a_100000755551_100000210718 [0,0,0,1,0,0|1,0,2]=4 5328 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000210718_100000757094 [0,0,0,1,0,0|1,0,2]=4 5329 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000766728_100000179811 [0,0,0,1,0,0|1,0,2]=4 5330 B12R1.35 C=CCCCC(=O)N1CCCC1 240690a_100000188435_100000766728 [0,0,0,1,0,0|1,0,2]=4 5331 B12R1.35 C=CCCCC(=O)N1CCCC1 527a_100000188435_100000766728 [0,0,0,1,0,0|1,0,2]=4 5332 B12R1.35 C=CCCNC(=O)C1CCCC1 11a_100015191253_100000210718 [0,0,0,1,0,0|1,0,2]=4 5333 B12R1.35 C=CCCNC(=O)C1CCCC1 1626a_100015191253_100000210718 [0,0,0,1,0,0|1,0,2]=4 5334 B12R1.35 C=CCCNC(=O)C1CCCC1 240690a_100015191253_100000210718 [0,0,0,1,0,0|1,0,2]=4 5335 B12R1.35 C=CCCNC(=O)C1CCCC1 527a_100015191253_100000210718 [0,0,0,1,0,0|1,0,2]=4 5336 B12R1.35 CC#CCNC(=O)C1CCCC1 11a_100000685387_100000210718 [0,0,0,1,0,0|1,0,2]=4 5337 B12R1.35 CC#CCNC(=O)C1CCCC1 1626a_100000685387_100000210718 [0,0,0,1,0,0|1,0,2]=4 5338 B12R1.35 CC#CCNC(=O)C1CCCC1 527a_100000685387_100000210718 [0,0,0,1,0,0|1,0,2]=4 5339 B12R1.35 CC(OCCCF)C1CCCC1 34a_100011216366_100011934791 [0,0,0,1,0,0|2,0,1]=4 5340 B12R1.35 CC(OCCCF)C1CCCC1 7a_100011216366_100011934791 [0,0,0,1,0,0|2,0,1]=4 5341 B12R1.35 CC(OCCCO)C1CCCC1 34a_100011216366_100000230001 [0,0,0,1,0,0|2,0,1]=4 5342 B12R1.35 CC(OCCCO)C1CCCC1 7a_100011216366_100011215043 [0,0,0,1,0,0|2,0,1]=4 5343 B12R1.35 CC/C=C/CC(=O)C1CCCC1 1458a_100016274230_100000179811 [0,0,0,1,0,0|1,0,2]=4 5344 B12R1.35 CC/C=C/CC(=O)N1CCCC1 240690a_100000188435_100016274230 [0,0,0,1,0,0|1,0,2]=4 5345 B12R1.35 CC/C=C/CC(=O)N1CCCC1 527a_100000188435_100016274230 [0,0,0,1,0,0|1,0,2]=4 5346 B12R1.35 CC/C=C\CC(=O)C1CCCC1 1458a_100000210718_100103147603 [0,0,0,1,0,0|1,0,2]=4 5347 B12R1.35 CCC#CCC(=O)C1CCCC1 1458a_100000210718_100009813939 [0,0,0,1,0,0|1,0,2]=4 5348 B12R1.35 CCC=NNC(=O)C1CCCC1 4a_100000189808_100000210100 [0,0,0,1,0,0|2,0,1]=4 5349 B12R1.35 CCCC#CC(=O)C1CCCC1 1458a_200011218047_100000179811 [0,0,0,1,0,0|1,0,1]=3 5350 B12R1.35 CCCC#CC(=O)C1CCOC1 1458a_200011218047_100000690089 [0,0,0,1,0,0|2,0,1]=4 5351 B12R1.35 CCCC#CC(=O)N1CCCC1 240690a_100000188435_200011218047 [0,0,0,1,0,0|1,0,2]=4 5352 B12R1.35 CCCC=CC(=O)C1CCCC1 1458a_100000212230_100000179811 [0,0,0,1,0,0|1,0,1]=3 5353 B12R1.35 CCCC=CC(=O)C1CCOC1 1458a_100000212230_100000690089 [0,0,0,1,0,0|2,0,1]=4 5354 B12R1.35 CCCC=CC(=O)N1CCCC1 240690a_100000188435_100000212230 [0,0,0,1,0,0|1,0,2]=4 5355 B12R1.35 CCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210326 [0,0,0,1,0,0|1,0,1]=3 5356 B12R1.35 CCCCCC(=O)C1=CCOC1 1458a_100000139269_100000210326 [0,0,0,1,0,0|2,0,1]=4 5357 B12R1.35 CCCCCC(=O)C1=COCC1 1458a_100000750620_100000210326 [0,0,0,1,0,0|2,0,1]=4 5358 B12R1.35 CCCCCC(=O)C1CC=CC1 1458a_100000759439_100000210326 [0,0,0,1,0,0|1,0,2]=4 5359 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000210718_100000210326 [0,0,0,1,0,0|1,0,0]=2 5360 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000212188_100000179811 [0,0,0,1,0,0|1,0,0]=2 5361 B12R1.35 CCCCCC(=O)C1CCCS1 1458a_100012002731_100000210326 [0,0,0,1,0,0|2,0,0]=3 5362 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100000212188_100000690089 [0,0,0,1,0,0|2,0,0]=3 5363 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100011219752_100000210326 [0,0,0,1,0,0|2,0,0]=3 5364 B12R1.35 CCCCCC(=O)N1CC=CC1 1626a_100015195280_100000212188 [0,0,0,1,0,0|1,0,2]=4 5365 B12R1.35 CCCCCC(=O)N1CC=CC1 240690a_100015195280_100000212188 [0,0,0,1,0,0|1,0,2]=4 5366 B12R1.35 CCCCCC(=O)N1CCCC1 240690a_100000188435_100000212188 [0,0,0,1,0,0|1,0,0]=2 5367 B12R1.35 CCCCCC(=O)N1CCCC1 527a_100000188435_100000212188 [0,0,0,1,0,0|1,0,0]=2 5368 B12R1.35 CCCCCC(=O)N1CCSC1 11a_100011215254_100000212188 [0,0,0,1,0,0|2,0,0]=3 5369 B12R1.35 CCCCCC(=O)N1CCSC1 240690a_100011215254_100000212188 [0,0,0,1,0,0|2,0,0]=3 5370 B12R1.35 CCCCCC(=O)N1CCSC1 527a_100011215254_100000212188 [0,0,0,1,0,0|2,0,0]=3 5371 B12R1.35 CCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210326 [0,0,0,1,0,0|2,0,0]=3 5372 B12R1.35 CCCCCC(C)N1CCCC1 2230a_100000188435_200011218191 [0,0,0,1,0,0|2,0,1]=4 5373 B12R1.35 CCCCCC(C)N1CCCC1 269982a_100000188435_200011218191 [0,0,0,1,0,0|2,0,1]=4 5374 B12R1.35 CCCCCC(C)N1CCCC1 270004a_100000188435_100000211708 [0,0,0,1,0,0|2,0,1]=4 5375 B12R1.35 CCCCCN(C)C1CCCC1 2230a_100000207505_100000210326 [0,0,0,1,0,0|3,0,0]=4 5376 B12R1.35 CCCCCN(C)C1CCCC1 2230a_100000223495_100000179811 [0,0,0,1,0,0|3,0,0]=4 5377 B12R1.35 CCCCCN(C)C1CCCC1 269982a_100000207505_100000210215 [0,0,0,1,0,0|3,0,0]=4 5378 B12R1.35 CCCCCN(C)C1CCCC1 269982a_100000223495_100000179811 [0,0,0,1,0,0|3,0,0]=4 5379 B12R1.35 CCCCCN(C)C1CCCC1 270004a_100000223495_100000210133 [0,0,0,1,0,0|3,0,0]=4 5380 B12R1.35 CCCCCN(C)C1CCCC1 34a_100000207505_100000718602 [0,0,0,1,0,0|3,0,0]=4 5381 B12R1.35 CCCCNC(=O)C1=CCCC1 11a_100000102301_100000038896 [0,0,0,1,0,0|1,0,2]=4 5382 B12R1.35 CCCCNC(=O)C1=CCCC1 1626a_100000102301_100000038896 [0,0,0,1,0,0|1,0,2]=4 5383 B12R1.35 CCCCNC(=O)C1=CCCC1 240690a_100000102301_100000038896 [0,0,0,1,0,0|1,0,2]=4 5384 B12R1.35 CCCCNC(=O)C1CC=CC1 11a_100000102301_100000759439 [0,0,0,1,0,0|1,0,2]=4 5385 B12R1.35 CCCCNC(=O)C1CC=CC1 1626a_100000102301_100000759439 [0,0,0,1,0,0|1,0,2]=4 5386 B12R1.35 CCCCNC(=O)C1CC=CC1 240690a_100000102301_100000759439 [0,0,0,1,0,0|1,0,2]=4 5387 B12R1.35 CCCCNC(=O)C1CC=CC1 527a_100000102301_100000759439 [0,0,0,1,0,0|1,0,2]=4 5388 B12R1.35 CCCCNC(=O)C1CCCC1 11a_100000102301_100000210718 [0,0,0,1,0,0|1,0,0]=2 5389 B12R1.35 CCCCNC(=O)C1CCCC1 1626a_100000102301_100000210718 [0,0,0,1,0,0|1,0,0]=2 5390 B12R1.35 CCCCNC(=O)C1CCCC1 240690a_100000102301_100000210718 [0,0,0,1,0,0|1,0,0]=2 5391 B12R1.35 CCCCNC(=O)C1CCCC1 527a_100000102301_100000210718 [0,0,0,1,0,0|1,0,0]=2 5392 B12R1.35 CCCCNC(=O)C1CCCS1 11a_100000102301_100012002731 [0,0,0,1,0,0|2,0,0]=3 5393 B12R1.35 CCCCNC(=O)C1CCCS1 1626a_100000102301_100012002731 [0,0,0,1,0,0|2,0,0]=3 5394 B12R1.35 CCCCNC(=O)C1CCCS1 240690a_100000102301_100012002731 [0,0,0,1,0,0|2,0,0]=3 5395 B12R1.35 CCCCNC(=O)C1CCCS1 527a_100000102301_100012002731 [0,0,0,1,0,0|2,0,0]=3 5396 B12R1.35 CCCCNC(=O)C1CCOC1 11a_100000102301_100011219752 [0,0,0,1,0,0|2,0,0]=3 5397 B12R1.35 CCCCNC(=O)C1CCOC1 1626a_100000102301_100011219752 [0,0,0,1,0,0|2,0,0]=3 5398 B12R1.35 CCCCNC(=O)C1CCOC1 240690a_100000102301_100011219752 [0,0,0,1,0,0|2,0,0]=3 5399 B12R1.35 CCCCNC(=O)C1CCOC1 527a_100000102301_100011219752 [0,0,0,1,0,0|2,0,0]=3 5400 B12R1.35 CCCCNC(=O)N1CCCC1 2708a_100000102301_100000188435 [0,0,0,1,0,0|2,0,0]=3 5401 B12R1.35 CCCCNC(=O)N1CCCC1 273464a_100000102301_100000188435 [0,0,0,1,0,0|2,0,0]=3 5402 B12R1.35 CCCCNC(=O)N1CCSC1 2708a_100000102301_100011215254 [0,0,0,1,0,0|3,0,0]=4 5403 B12R1.35 CCCCNC(=O)N1CCSC1 273464a_100000102301_100011215254 [0,0,0,1,0,0|3,0,0]=4 5404 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 11a_100000102301_100000686382 [0,0,0,1,0,0|2,0,0]=3 5405 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 1626a_100000102301_100000686382 [0,0,0,1,0,0|2,0,0]=3 5406 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 240690a_100000102301_100000686382 [0,0,0,1,0,0|2,0,0]=3 5407 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 527a_100000102301_100000686382 [0,0,0,1,0,0|2,0,0]=3 5408 B12R1.35 CCCCNC(C)C1CCCC1 2230a_100015185923_100000210211 [0,0,0,1,0,0|2,0,1]=4 5409 B12R1.35 CCCCNC(C)C1CCCC1 269862a_100000102301_100000749594 [0,0,0,1,0,0|2,0,1]=4 5410 B12R1.35 CCCCNC(C)C1CCCC1 270004a_100000102301_100000749594 [0,0,0,1,0,0|2,0,1]=4 5411 B12R1.35 CCCCNC(C)C1CCCC1 34a_100015185923_100000210210 [0,0,0,1,0,0|2,0,1]=4 5412 B12R1.35 CCCCOC(C)C1CCCC1 34a_100011216366_100000210210 [0,0,0,1,0,0|1,0,1]=3 5413 B12R1.35 CCCCOC(C)C1CCCC1 7a_100011216366_100000210211 [0,0,0,1,0,0|1,0,1]=3 5414 B12R1.35 CCCNCC(=O)N1CCCC1 2230a_100000751844_100000210303 [0,0,0,1,0,0|2,0,0]=3 5415 B12R1.35 CCCNN=C(C)C1CCCC1 4a_100000740057_100000749594 [0,0,0,1,0,0|3,0,0]=4 5416 B12R1.35 CCCNNC(=O)C1CCCC1 22a_100000740057_100000210718 [0,0,0,1,0,0|2,0,0]=3 5417 B12R1.35 CCCNNC(=O)C1CCCS1 22a_100000740057_100012002731 [0,0,0,1,0,0|3,0,0]=4 5418 B12R1.35 CCCNNC(=O)C1CCOC1 22a_100000740057_100011219752 [0,0,0,1,0,0|3,0,0]=4 5419 B12R1.35 CCCNNC(=O)[C@@H]1CCCO1 22a_100000740057_100000686382 [0,0,0,1,0,0|3,0,0]=4 5420 B12R1.35 CCCOCC(=O)C1CCCC1 1458a_100000745993_100000179811 [0,0,0,1,0,0|2,0,0]=3 5421 B12R1.35 CCCOCC(=O)C1CCOC1 1458a_100000745993_100000690089 [0,0,0,1,0,0|3,0,0]=4 5422 B12R1.35 CCCOCC(=O)N1CCCC1 240690a_100000188435_100000745993 [0,0,0,1,0,0|2,0,0]=3 5423 B12R1.35 CCCOCC(=O)N1CCCC1 34a_100000210258_100000183516 [0,0,0,1,0,0|2,0,0]=3 5424 B12R1.35 CCCOCC(=O)N1CCCC1 527a_100000188435_100000745993 [0,0,0,1,0,0|2,0,0]=3 5425 B12R1.35 CCCOCC(=O)N1CCCC1 7a_200000752455_100000210303 [0,0,0,1,0,0|2,0,0]=3 5426 B12R1.35 CCCOCC(=O)N1CCSC1 11a_100011215254_100000745993 [0,0,0,1,0,0|3,0,0]=4 5427 B12R1.35 CCCOCC(=O)N1CCSC1 240690a_100011215254_100000745993 [0,0,0,1,0,0|3,0,0]=4 5428 B12R1.35 CCCOCC(=O)N1CCSC1 527a_100011215254_100000745993 [0,0,0,1,0,0|3,0,0]=4 5429 B12R1.35 CCCSCC(=O)C1CCCC1 1458a_100000217233_100000179811 [0,0,0,1,0,0|2,0,0]=3 5430 B12R1.35 CCCSCC(=O)C1CCOC1 1458a_100000217233_100000690089 [0,0,0,1,0,0|3,0,0]=4 5431 B12R1.35 CCCSCC(=O)N1CCCC1 240690a_100000188435_100000217233 [0,0,0,1,0,0|2,0,0]=3 5432 B12R1.35 CCCSCC(=O)N1CCCC1 527a_100000188435_100000217233 [0,0,0,1,0,0|2,0,0]=3 5433 B12R1.35 CCCSCC(=O)N1CCCC1 62a_100000183516_100000210303 [0,0,0,1,0,0|2,0,0]=3 5434 B12R1.35 CCCSCC(=O)N1CCCC1 62a_100000210303_100000183516 [0,0,0,1,0,0|2,0,0]=3 5435 B12R1.35 CCCSCC(=O)N1CCSC1 11a_100011215254_100000217233 [0,0,0,1,0,0|3,0,0]=4 5436 B12R1.35 CCCSCC(=O)N1CCSC1 240690a_100011215254_100000217233 [0,0,0,1,0,0|3,0,0]=4 5437 B12R1.35 CCCSCC(=O)N1CCSC1 527a_100011215254_100000217233 [0,0,0,1,0,0|3,0,0]=4 5438 B12R1.35 CCNCCC(=O)N1CCCC1 2230a_100015525214_100011194422 [0,0,0,1,0,0|2,0,0]=3 5439 B12R1.35 CCOC=CC(=O)C1CCCC1 1458a_100016266692_100000179811 [0,0,0,1,0,0|2,0,1]=4 5440 B12R1.35 CCOCCC(=O)C1=CCCC1 1458a_100000038896_100011215890 [0,0,0,1,0,0|2,0,1]=4 5441 B12R1.35 CCOCCC(=O)C1CCCC1 1458a_100000210718_100011215890 [0,0,0,1,0,0|2,0,0]=3 5442 B12R1.35 CCOCCC(=O)C1CCCC1 1458a_100000749530_100000179811 [0,0,0,1,0,0|2,0,0]=3 5443 B12R1.35 CCOCCC(=O)C1CCCS1 1458a_100012002731_100011215890 [0,0,0,1,0,0|3,0,0]=4 5444 B12R1.35 CCOCCC(=O)C1CCOC1 1458a_100000749530_100000690089 [0,0,0,1,0,0|3,0,0]=4 5445 B12R1.35 CCOCCC(=O)C1CCOC1 1458a_100011219752_100011215890 [0,0,0,1,0,0|3,0,0]=4 5446 B12R1.35 CCOCCC(=O)N1CCCC1 240690a_100000188435_100000749530 [0,0,0,1,0,0|2,0,0]=3 5447 B12R1.35 CCOCCC(=O)N1CCCC1 34a_100121572206_100011194422 [0,0,0,1,0,0|2,0,0]=3 5448 B12R1.35 CCOCCC(=O)N1CCCC1 527a_100000188435_100000749530 [0,0,0,1,0,0|2,0,0]=3 5449 B12R1.35 CCOCCC(=O)N1CCSC1 11a_100011215254_100000749530 [0,0,0,1,0,0|3,0,0]=4 5450 B12R1.35 CCOCCC(=O)N1CCSC1 240690a_100011215254_100000749530 [0,0,0,1,0,0|3,0,0]=4 5451 B12R1.35 CCOCCC(=O)N1CCSC1 527a_100011215254_100000749530 [0,0,0,1,0,0|3,0,0]=4 5452 B12R1.35 CCOCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215890 [0,0,0,1,0,0|3,0,0]=4 5453 B12R1.35 CCSCCC(=O)C1=CCCC1 1458a_100000038896_100000757381 [0,0,0,1,0,0|2,0,1]=4 5454 B12R1.35 CCSCCC(=O)C1CCCC1 1458a_100000210718_100000757381 [0,0,0,1,0,0|2,0,0]=3 5455 B12R1.35 CCSCCC(=O)C1CCCC1 1458a_100000230768_100000179811 [0,0,0,1,0,0|2,0,0]=3 5456 B12R1.35 CCSCCC(=O)C1CCCS1 1458a_100012002731_100000757381 [0,0,0,1,0,0|3,0,0]=4 5457 B12R1.35 CCSCCC(=O)C1CCOC1 1458a_100000230768_100000690089 [0,0,0,1,0,0|3,0,0]=4 5458 B12R1.35 CCSCCC(=O)C1CCOC1 1458a_100011219752_100000757381 [0,0,0,1,0,0|3,0,0]=4 5459 B12R1.35 CCSCCC(=O)N1CCCC1 240690a_100000188435_100000230768 [0,0,0,1,0,0|2,0,0]=3 5460 B12R1.35 CCSCCC(=O)N1CCCC1 527a_100000188435_100000230768 [0,0,0,1,0,0|2,0,0]=3 5461 B12R1.35 CCSCCC(=O)N1CCCC1 62a_100000210202_100011194422 [0,0,0,1,0,0|2,0,0]=3 5462 B12R1.35 CCSCCC(=O)N1CCCC1 62a_100011194422_100000210202 [0,0,0,1,0,0|2,0,0]=3 5463 B12R1.35 CCSCCC(=O)N1CCSC1 11a_100011215254_100000230768 [0,0,0,1,0,0|3,0,0]=4 5464 B12R1.35 CCSCCC(=O)N1CCSC1 240690a_100011215254_100000230768 [0,0,0,1,0,0|3,0,0]=4 5465 B12R1.35 CCSCCC(=O)N1CCSC1 527a_100011215254_100000230768 [0,0,0,1,0,0|3,0,0]=4 5466 B12R1.35 CCSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000757381 [0,0,0,1,0,0|3,0,0]=4 5467 B12R1.35 COCC=CC(=O)C1CCCC1 1458a_100016285016_100000179811 [0,0,0,1,0,0|2,0,1]=4 5468 B12R1.35 COCCCC(=O)C1=CCCC1 1458a_100000038896_100000740836 [0,0,0,1,0,0|2,0,1]=4 5469 B12R1.35 COCCCC(=O)C1CCCC1 1458a_100000210718_100000740836 [0,0,0,1,0,0|2,0,0]=3 5470 B12R1.35 COCCCC(=O)C1CCCC1 1458a_100000741012_100000179811 [0,0,0,1,0,0|2,0,0]=3 5471 B12R1.35 COCCCC(=O)C1CCCS1 1458a_100012002731_100000740836 [0,0,0,1,0,0|3,0,0]=4 5472 B12R1.35 COCCCC(=O)C1CCOC1 1458a_100000741012_100000690089 [0,0,0,1,0,0|3,0,0]=4 5473 B12R1.35 COCCCC(=O)C1CCOC1 1458a_100011219752_100000740836 [0,0,0,1,0,0|3,0,0]=4 5474 B12R1.35 COCCCC(=O)N1CCCC1 240690a_100000188435_100000741012 [0,0,0,1,0,0|2,0,0]=3 5475 B12R1.35 COCCCC(=O)N1CCCC1 527a_100000188435_100000741012 [0,0,0,1,0,0|2,0,0]=3 5476 B12R1.35 COCCCC(=O)N1CCSC1 11a_100011215254_100000741012 [0,0,0,1,0,0|3,0,0]=4 5477 B12R1.35 COCCCC(=O)N1CCSC1 240690a_100011215254_100000741012 [0,0,0,1,0,0|3,0,0]=4 5478 B12R1.35 COCCCC(=O)N1CCSC1 527a_100011215254_100000741012 [0,0,0,1,0,0|3,0,0]=4 5479 B12R1.35 COCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000740836 [0,0,0,1,0,0|3,0,0]=4 5480 B12R1.35 COCCNC(=O)C1CCCC1 1626a_100000209980_100000210718 [0,0,0,1,0,0|2,0,0]=3 5481 B12R1.35 COCCNC(=O)C1CCCC1 240690a_100000209980_100000210718 [0,0,0,1,0,0|2,0,0]=3 5482 B12R1.35 COCCNC(=O)C1CCCC1 527a_100000209980_100000210718 [0,0,0,1,0,0|2,0,0]=3 5483 B12R1.35 COCCNC(=O)C1CCCS1 1626a_100000209980_100012002731 [0,0,0,1,0,0|3,0,0]=4 5484 B12R1.35 COCCNC(=O)C1CCCS1 240690a_100000209980_100012002731 [0,0,0,1,0,0|3,0,0]=4 5485 B12R1.35 COCCNC(=O)C1CCCS1 527a_100000209980_100012002731 [0,0,0,1,0,0|3,0,0]=4 5486 B12R1.35 COCCNC(=O)C1CCOC1 1626a_100000209980_100011219752 [0,0,0,1,0,0|3,0,0]=4 5487 B12R1.35 COCCNC(=O)C1CCOC1 240690a_100000209980_100011219752 [0,0,0,1,0,0|3,0,0]=4 5488 B12R1.35 COCCNC(=O)C1CCOC1 527a_100000209980_100011219752 [0,0,0,1,0,0|3,0,0]=4 5489 B12R1.35 COCCNC(=O)N1CCCC1 273464a_100000209980_100000188435 [0,0,0,1,0,0|3,0,0]=4 5490 B12R1.35 COCCNC(=O)[C@@H]1CCCO1 1626a_100000209980_100000686382 [0,0,0,1,0,0|3,0,0]=4 5491 B12R1.35 COCCNC(=O)[C@@H]1CCCO1 240690a_100000209980_100000686382 [0,0,0,1,0,0|3,0,0]=4 5492 B12R1.35 COCCNC(=O)[C@@H]1CCCO1 527a_100000209980_100000686382 [0,0,0,1,0,0|3,0,0]=4 5493 B12R1.35 COCCOC(C)C1CCCC1 34a_100011216366_100011201679 [0,0,0,1,0,0|2,0,1]=4 5494 B12R1.35 COCCOC(C)C1CCCC1 7a_100011216366_100000233755 [0,0,0,1,0,0|2,0,1]=4 5495 B12R1.35 COCNCC(=O)N1CCCC1 2230a_100000751844_100000766300 [0,0,0,1,0,0|3,0,0]=4 5496 B12R1.35 COCSCC(=O)N1CCCC1 62a_100000183516_100000766300 [0,0,0,1,0,0|3,0,0]=4 5497 B12R1.35 COCSCC(=O)N1CCCC1 62a_100000766300_100000183516 [0,0,0,1,0,0|3,0,0]=4 5498 B12R1.35 CSCCCC(=O)C1CCCC1 1458a_100000173376_100000179811 [0,0,0,1,0,0|2,0,0]=3 5499 B12R1.35 CSCCCC(=O)C1CCOC1 1458a_100000173376_100000690089 [0,0,0,1,0,0|3,0,0]=4 5500 B12R1.35 CSCCCC(=O)N1CCCC1 240690a_100000188435_100000173376 [0,0,0,1,0,0|2,0,0]=3 5501 B12R1.35 CSCCCC(=O)N1CCCC1 527a_100000188435_100000173376 [0,0,0,1,0,0|2,0,0]=3 5502 B12R1.35 CSCCCC(=O)N1CCSC1 11a_100011215254_100000173376 [0,0,0,1,0,0|3,0,0]=4 5503 B12R1.35 CSCCCC(=O)N1CCSC1 240690a_100011215254_100000173376 [0,0,0,1,0,0|3,0,0]=4 5504 B12R1.35 CSCCCC(=O)N1CCSC1 527a_100011215254_100000173376 [0,0,0,1,0,0|3,0,0]=4 5505 B12R1.35 CSCCNC(=O)C1CCCC1 11a_100020590264_100000210718 [0,0,0,1,0,0|2,0,0]=3 5506 B12R1.35 CSCCNC(=O)C1CCCC1 1626a_100020590264_100000210718 [0,0,0,1,0,0|2,0,0]=3 5507 B12R1.35 CSCCNC(=O)C1CCCC1 240690a_100020590264_100000210718 [0,0,0,1,0,0|2,0,0]=3 5508 B12R1.35 CSCCNC(=O)C1CCCC1 527a_100020590264_100000210718 [0,0,0,1,0,0|2,0,0]=3 5509 B12R1.35 CSCCNC(=O)C1CCCS1 11a_100020590264_100012002731 [0,0,0,1,0,0|3,0,0]=4 5510 B12R1.35 CSCCNC(=O)C1CCCS1 1626a_100020590264_100012002731 [0,0,0,1,0,0|3,0,0]=4 5511 B12R1.35 CSCCNC(=O)C1CCCS1 240690a_100020590264_100012002731 [0,0,0,1,0,0|3,0,0]=4 5512 B12R1.35 CSCCNC(=O)C1CCCS1 527a_100020590264_100012002731 [0,0,0,1,0,0|3,0,0]=4 5513 B12R1.35 CSCCNC(=O)C1CCOC1 11a_100020590264_100011219752 [0,0,0,1,0,0|3,0,0]=4 5514 B12R1.35 CSCCNC(=O)C1CCOC1 1626a_100020590264_100011219752 [0,0,0,1,0,0|3,0,0]=4 5515 B12R1.35 CSCCNC(=O)C1CCOC1 240690a_100020590264_100011219752 [0,0,0,1,0,0|3,0,0]=4 5516 B12R1.35 CSCCNC(=O)C1CCOC1 527a_100020590264_100011219752 [0,0,0,1,0,0|3,0,0]=4 5517 B12R1.35 CSCCNC(=O)N1CCCC1 2708a_100020590264_100000188435 [0,0,0,1,0,0|3,0,0]=4 5518 B12R1.35 CSCCNC(=O)N1CCCC1 273464a_100020590264_100000188435 [0,0,0,1,0,0|3,0,0]=4 5519 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 11a_100020590264_100000686382 [0,0,0,1,0,0|3,0,0]=4 5520 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 1626a_100020590264_100000686382 [0,0,0,1,0,0|3,0,0]=4 5521 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 240690a_100020590264_100000686382 [0,0,0,1,0,0|3,0,0]=4 5522 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 527a_100020590264_100000686382 [0,0,0,1,0,0|3,0,0]=4 5523 B12R1.35 CSCCOC(C)C1CCCC1 34a_100011216366_100000212216 [0,0,0,1,0,0|2,0,1]=4 5524 B12R1.35 CSCCOC(C)C1CCCC1 7a_100011216366_100000212216 [0,0,0,1,0,0|2,0,1]=4 5525 B12R1.35 CSCNCC(=O)N1CCCC1 2230a_100000751844_100011218213 [0,0,0,1,0,0|3,0,0]=4 5526 B12R1.35 CSCSCC(=O)N1CCCC1 62a_100000183516_100011218213 [0,0,0,1,0,0|3,0,0]=4 5527 B12R1.35 CSCSCC(=O)N1CCCC1 62a_100011218213_100000183516 [0,0,0,1,0,0|3,0,0]=4 5528 B12R1.35 N#CCCCC(=O)C1CCCC1 1458a_100000075515_100000179811 [0,0,0,1,0,0|2,0,1]=4 5529 B12R1.35 N#CCCCC(=O)C1CCCC1 1458a_100000210718_100000211468 [0,0,0,1,0,0|2,0,1]=4 5530 B12R1.35 N#CCCCC(=O)N1CCCC1 240690a_100000188435_100000075515 [0,0,0,1,0,0|2,0,1]=4 5531 B12R1.35 N#CCCCC(=O)N1CCCC1 527a_100000188435_100000075515 [0,0,0,1,0,0|2,0,1]=4 5532 B12R1.35 N#CCCNC(=O)C1CCCC1 11a_100000720768_100000210718 [0,0,0,1,0,0|2,0,1]=4 5533 B12R1.35 N#CCCNC(=O)C1CCCC1 1626a_100000720768_100000210718 [0,0,0,1,0,0|2,0,1]=4 5534 B12R1.35 N#CCCNC(=O)C1CCCC1 240690a_100000720768_100000210718 [0,0,0,1,0,0|2,0,1]=4 5535 B12R1.35 N#CCCNC(=O)C1CCCC1 527a_100000720768_100000210718 [0,0,0,1,0,0|2,0,1]=4 5536 B12R1.35 NCCOCC(=O)N1CCCC1 34a_100000210304_100000183516 [0,0,0,1,0,0|3,0,0]=4 5537 B12R1.35 O=C(CCCCF)C1=CCCC1 1458a_100000038896_100000729493 [0,0,0,1,0,0|2,0,1]=4 5538 B12R1.35 O=C(CCCCF)C1CCCC1 1458a_100000210718_100000729493 [0,0,0,1,0,0|2,0,0]=3 5539 B12R1.35 O=C(CCCCF)C1CCCS1 1458a_100012002731_100000729493 [0,0,0,1,0,0|3,0,0]=4 5540 B12R1.35 O=C(CCCCF)C1CCOC1 1458a_100011219752_100000729493 [0,0,0,1,0,0|3,0,0]=4 5541 B12R1.35 O=C(CCCCF)[C@@H]1CCCO1 1458a_100000686382_100000729493 [0,0,0,1,0,0|3,0,0]=4 5542 B12R1.35 O=C(CCCCO)C1=CCCC1 1458a_100000038896_100000210776 [0,0,0,1,0,0|2,0,1]=4 5543 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000210718_100000210776 [0,0,0,1,0,0|2,0,0]=3 5544 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000695505_100000179811 [0,0,0,1,0,0|2,0,0]=3 5545 B12R1.35 O=C(CCCCO)C1CCCS1 1458a_100012002731_100000210776 [0,0,0,1,0,0|3,0,0]=4 5546 B12R1.35 O=C(CCCCO)C1CCOC1 1458a_100000695505_100000690089 [0,0,0,1,0,0|3,0,0]=4 5547 B12R1.35 O=C(CCCCO)C1CCOC1 1458a_100011219752_100000210776 [0,0,0,1,0,0|3,0,0]=4 5548 B12R1.35 O=C(CCCCO)[C@@H]1CCCO1 1458a_100000686382_100000210776 [0,0,0,1,0,0|3,0,0]=4 5549 B12R1.35 O=C(CCSCF)N1CCCC1 62a_100011194422_100015361967 [0,0,0,1,0,0|3,0,0]=4 5550 B12R1.35 O=C(CCSCF)N1CCCC1 62a_100015361967_100011194422 [0,0,0,1,0,0|3,0,0]=4 5551 B12R1.35 O=C(CNCCF)N1CCCC1 2230a_100000751844_100011217306 [0,0,0,1,0,0|3,0,0]=4 5552 B12R1.35 O=C(CNCCF)N1CCCC1 34a_100000724931_100000183516 [0,0,0,1,0,0|3,0,0]=4 5553 B12R1.35 O=C(CNCCO)N1CCCC1 2230a_100000751844_100000211926 [0,0,0,1,0,0|3,0,0]=4 5554 B12R1.35 O=C(CNCCO)N1CCCC1 2230a_100016997473_100000183516 [0,0,0,1,0,0|3,0,0]=4 5555 B12R1.35 O=C(CNCCO)N1CCCC1 34a_100016990907_100000183516 [0,0,0,1,0,0|3,0,0]=4 5556 B12R1.35 O=C(COCCBr)N1CCCC1 34a_100000211926_100000183516 [0,0,0,1,0,0|3,0,0]=4 5557 B12R1.35 O=C(COCCF)N1CCCC1 7a_200000752455_100011217306 [0,0,0,1,0,0|3,0,0]=4 5558 B12R1.35 O=C(COCCO)C1CCCC1 1458a_100000708028_100000179811 [0,0,0,1,0,0|3,0,0]=4 5559 B12R1.35 O=C(COCCO)N1CCCC1 240690a_100000188435_100000708028 [0,0,0,1,0,0|3,0,0]=4 5560 B12R1.35 O=C(COCCO)N1CCCC1 7a_200000752455_100000211926 [0,0,0,1,0,0|3,0,0]=4 5561 B12R1.35 O=C(CSCCF)N1CCCC1 62a_100000183516_100011217306 [0,0,0,1,0,0|3,0,0]=4 5562 B12R1.35 O=C(CSCCF)N1CCCC1 62a_100011217306_100000183516 [0,0,0,1,0,0|3,0,0]=4 5563 B12R1.35 O=C(CSCCO)N1CCCC1 62a_100000183516_100000211926 [0,0,0,1,0,0|3,0,0]=4 5564 B12R1.35 O=C(CSCCO)N1CCCC1 62a_100000211926_100000183516 [0,0,0,1,0,0|3,0,0]=4 5565 B12R1.35 O=C(NCCCF)C1CCCC1 11a_100015189416_100000210718 [0,0,0,1,0,0|2,0,0]=3 5566 B12R1.35 O=C(NCCCF)C1CCCC1 1626a_100015189416_100000210718 [0,0,0,1,0,0|2,0,0]=3 5567 B12R1.35 O=C(NCCCF)C1CCCC1 240690a_100015189416_100000210718 [0,0,0,1,0,0|2,0,0]=3 5568 B12R1.35 O=C(NCCCF)C1CCCC1 527a_100015189416_100000210718 [0,0,0,1,0,0|2,0,0]=3 5569 B12R1.35 O=C(NCCCF)C1CCCS1 11a_100015189416_100012002731 [0,0,0,1,0,0|3,0,0]=4 5570 B12R1.35 O=C(NCCCF)C1CCCS1 1626a_100015189416_100012002731 [0,0,0,1,0,0|3,0,0]=4 5571 B12R1.35 O=C(NCCCF)C1CCCS1 240690a_100015189416_100012002731 [0,0,0,1,0,0|3,0,0]=4 5572 B12R1.35 O=C(NCCCF)C1CCCS1 527a_100015189416_100012002731 [0,0,0,1,0,0|3,0,0]=4 5573 B12R1.35 O=C(NCCCF)C1CCOC1 11a_100015189416_100011219752 [0,0,0,1,0,0|3,0,0]=4 5574 B12R1.35 O=C(NCCCF)C1CCOC1 1626a_100015189416_100011219752 [0,0,0,1,0,0|3,0,0]=4 5575 B12R1.35 O=C(NCCCF)C1CCOC1 240690a_100015189416_100011219752 [0,0,0,1,0,0|3,0,0]=4 5576 B12R1.35 O=C(NCCCF)C1CCOC1 527a_100015189416_100011219752 [0,0,0,1,0,0|3,0,0]=4 5577 B12R1.35 O=C(NCCCF)N1CCCC1 2708a_100015189416_100000188435 [0,0,0,1,0,0|3,0,0]=4 5578 B12R1.35 O=C(NCCCF)N1CCCC1 273464a_100015189416_100000188435 [0,0,0,1,0,0|3,0,0]=4 5579 B12R1.35 O=C(NCCCF)[C@@H]1CCCO1 11a_100015189416_100000686382 [0,0,0,1,0,0|3,0,0]=4 5580 B12R1.35 O=C(NCCCF)[C@@H]1CCCO1 1626a_100015189416_100000686382 [0,0,0,1,0,0|3,0,0]=4 5581 B12R1.35 O=C(NCCCF)[C@@H]1CCCO1 240690a_100015189416_100000686382 [0,0,0,1,0,0|3,0,0]=4 5582 B12R1.35 O=C(NCCCF)[C@@H]1CCCO1 527a_100015189416_100000686382 [0,0,0,1,0,0|3,0,0]=4 5583 B12R1.35 O=C(NCCCO)C1CCCC1 240690a_100000182051_100000210718 [0,0,0,1,0,0|2,0,0]=3 5584 B12R1.35 O=C(NCCCO)C1CCCC1 527a_100000182051_100000210718 [0,0,0,1,0,0|2,0,0]=3 5585 B12R1.35 O=C(NCCCO)C1CCCS1 240690a_100000182051_100012002731 [0,0,0,1,0,0|3,0,0]=4 5586 B12R1.35 O=C(NCCCO)C1CCCS1 527a_100000182051_100012002731 [0,0,0,1,0,0|3,0,0]=4 5587 B12R1.35 O=C(NCCCO)C1CCOC1 240690a_100000182051_100011219752 [0,0,0,1,0,0|3,0,0]=4 5588 B12R1.35 O=C(NCCCO)C1CCOC1 527a_100000182051_100011219752 [0,0,0,1,0,0|3,0,0]=4 5589 B12R1.35 O=C(NCCCO)N1CCCC1 273464a_100000182051_100000188435 [0,0,0,1,0,0|3,0,0]=4 5590 B12R1.35 O=C(NCCCO)[C@@H]1CCCO1 240690a_100000182051_100000686382 [0,0,0,1,0,0|3,0,0]=4 5591 B12R1.35 O=C(NCCCO)[C@@H]1CCCO1 527a_100000182051_100000686382 [0,0,0,1,0,0|3,0,0]=4 5592 B12R1.35 O=C(NNCCO)C1CCCC1 22a_100000210001_100000210718 [0,0,0,1,0,0|3,0,0]=4 5593 B12R1.455 CCCCCc1nc(no1)CC 270196a_200000212204_100000212188 [0,0,0,1,0,0|2,0,1]=4 5594 B12R1.455 CCCCNC1CCC(C1)CC 270004a_100000102301_100011218773 [0,0,0,1,0,0|2,0,1]=4 5595 B12R1.455 CCCCOC1CCN(C1)CC 7a_100000210227_200011861547 [0,0,0,1,0,0|2,0,1]=4 5596 B12R1.455 CCCNN=C1CCC(C1)CC 4a_100000740057_100011218773 [0,0,0,1,0,0|3,0,0]=4 5597 B12R1.481 C#CCCCC(=O)C1CC1CC 1458a_200011661523_100000731252 [0,0,0,1,0,0|1,0,2]=4 5598 B12R1.481 C#CCCNC(=O)C1CC1CC 11a_100000755551_200011661523 [0,0,0,1,0,0|1,0,2]=4 5599 B12R1.481 C#CCCNC(=O)C1CC1CC 1626a_100000755551_200011661523 [0,0,0,1,0,0|1,0,2]=4 5600 B12R1.481 C#CCCNC(=O)C1CC1CC 240690a_100000755551_200011661523 [0,0,0,1,0,0|1,0,2]=4 5601 B12R1.481 C#CCCNC(=O)C1CC1CC 527a_100000755551_200011661523 [0,0,0,1,0,0|1,0,2]=4 5602 B12R1.481 C=CCCCC(=O)C1CC1CC 1458a_200011661523_100000757094 [0,0,0,1,0,0|1,0,2]=4 5603 B12R1.481 C=CCCNC(=O)C1CC1CC 11a_100015191253_200011661523 [0,0,0,1,0,0|1,0,2]=4 5604 B12R1.481 C=CCCNC(=O)C1CC1CC 1626a_100015191253_200011661523 [0,0,0,1,0,0|1,0,2]=4 5605 B12R1.481 C=CCCNC(=O)C1CC1CC 240690a_100015191253_200011661523 [0,0,0,1,0,0|1,0,2]=4 5606 B12R1.481 C=CCCNC(=O)C1CC1CC 527a_100015191253_200011661523 [0,0,0,1,0,0|1,0,2]=4 5607 B12R1.481 CC#CCNC(=O)C1CC1CC 11a_100000685387_200011661523 [0,0,0,1,0,0|1,0,2]=4 5608 B12R1.481 CC#CCNC(=O)C1CC1CC 1626a_100000685387_200011661523 [0,0,0,1,0,0|1,0,2]=4 5609 B12R1.481 CC#CCNC(=O)C1CC1CC 527a_100000685387_200011661523 [0,0,0,1,0,0|1,0,2]=4 5610 B12R1.481 CC/C=C\CC(=O)C1CC1CC 1458a_200011661523_100103147603 [0,0,0,1,0,0|1,0,2]=4 5611 B12R1.481 CCC#CCC(=O)C1CC1CC 1458a_200011661523_100009813939 [0,0,0,1,0,0|1,0,2]=4 5612 B12R1.481 CCC1CC1C(=O)CCCC#N 1458a_200011661523_100000211468 [0,0,0,1,0,0|2,0,1]=4 5613 B12R1.481 CCC1CC1C(=O)CCCCF 1458a_200011661523_100000729493 [0,0,0,1,0,0|2,0,0]=3 5614 B12R1.481 CCC1CC1C(=O)CCCCO 1458a_200011661523_100000210776 [0,0,0,1,0,0|2,0,0]=3 5615 B12R1.481 CCC1CC1C(=O)CCCOC 1458a_200011661523_100000740836 [0,0,0,1,0,0|2,0,0]=3 5616 B12R1.481 CCC1CC1C(=O)NCCC#N 11a_100000720768_200011661523 [0,0,0,1,0,0|2,0,1]=4 5617 B12R1.481 CCC1CC1C(=O)NCCC#N 1626a_100000720768_200011661523 [0,0,0,1,0,0|2,0,1]=4 5618 B12R1.481 CCC1CC1C(=O)NCCC#N 240690a_100000720768_200011661523 [0,0,0,1,0,0|2,0,1]=4 5619 B12R1.481 CCC1CC1C(=O)NCCC#N 527a_100000720768_200011661523 [0,0,0,1,0,0|2,0,1]=4 5620 B12R1.481 CCC1CC1C(=O)NCCCF 11a_100015189416_200011661523 [0,0,0,1,0,0|2,0,0]=3 5621 B12R1.481 CCC1CC1C(=O)NCCCF 1626a_100015189416_200011661523 [0,0,0,1,0,0|2,0,0]=3 5622 B12R1.481 CCC1CC1C(=O)NCCCF 240690a_100015189416_200011661523 [0,0,0,1,0,0|2,0,0]=3 5623 B12R1.481 CCC1CC1C(=O)NCCCF 527a_100015189416_200011661523 [0,0,0,1,0,0|2,0,0]=3 5624 B12R1.481 CCC1CC1C(=O)NCCCO 240690a_100000182051_200011661523 [0,0,0,1,0,0|2,0,0]=3 5625 B12R1.481 CCC1CC1C(=O)NCCCO 527a_100000182051_200011661523 [0,0,0,1,0,0|2,0,0]=3 5626 B12R1.481 CCC1CC1C(=O)NCCOC 1626a_100000209980_200011661523 [0,0,0,1,0,0|2,0,0]=3 5627 B12R1.481 CCC1CC1C(=O)NCCOC 240690a_100000209980_200011661523 [0,0,0,1,0,0|2,0,0]=3 5628 B12R1.481 CCC1CC1C(=O)NCCOC 527a_100000209980_200011661523 [0,0,0,1,0,0|2,0,0]=3 5629 B12R1.481 CCC1CC1C(=O)NCCSC 11a_100020590264_200011661523 [0,0,0,1,0,0|2,0,0]=3 5630 B12R1.481 CCC1CC1C(=O)NCCSC 1626a_100020590264_200011661523 [0,0,0,1,0,0|2,0,0]=3 5631 B12R1.481 CCC1CC1C(=O)NCCSC 240690a_100020590264_200011661523 [0,0,0,1,0,0|2,0,0]=3 5632 B12R1.481 CCC1CC1C(=O)NCCSC 527a_100020590264_200011661523 [0,0,0,1,0,0|2,0,0]=3 5633 B12R1.481 CCC1CC1C(=O)NNCCO 22a_100000210001_200011661523 [0,0,0,1,0,0|3,0,0]=4 5634 B12R1.481 CCCCCC(=O)C1CC1CC 1458a_200011661523_100000210326 [0,0,0,1,0,0|1,0,0]=2 5635 B12R1.481 CCCCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210326 [0,0,0,1,0,0|2,0,1]=4 5636 B12R1.481 CCCCNC(=O)C1CC1CC 11a_100000102301_200011661523 [0,0,0,1,0,0|1,0,0]=2 5637 B12R1.481 CCCCNC(=O)C1CC1CC 1626a_100000102301_200011661523 [0,0,0,1,0,0|1,0,0]=2 5638 B12R1.481 CCCCNC(=O)C1CC1CC 240690a_100000102301_200011661523 [0,0,0,1,0,0|1,0,0]=2 5639 B12R1.481 CCCCNC(=O)C1CC1CC 527a_100000102301_200011661523 [0,0,0,1,0,0|1,0,0]=2 5640 B12R1.481 CCCCNC(=O)[C@@H]1C[C@H]1C#N 11a_100000102301_100015294237 [0,0,0,1,0,0|2,0,1]=4 5641 B12R1.481 CCCCNC(=O)[C@@H]1C[C@H]1C#N 1626a_100000102301_100015294237 [0,0,0,1,0,0|2,0,1]=4 5642 B12R1.481 CCCCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100000102301_100015294237 [0,0,0,1,0,0|2,0,1]=4 5643 B12R1.481 CCCNNC(=O)C1CC1CC 22a_100000740057_200011661523 [0,0,0,1,0,0|2,0,0]=3 5644 B12R1.481 CCOCCC(=O)C1CC1CC 1458a_200011661523_100011215890 [0,0,0,1,0,0|2,0,0]=3 5645 B12R1.481 CCSCCC(=O)C1CC1CC 1458a_200011661523_100000757381 [0,0,0,1,0,0|2,0,0]=3 5646 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000212188 [0,0,0,1,0,0|2,0,0]=3 5647 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000212188 [0,0,0,1,0,0|2,0,0]=3 5648 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000212188 [0,0,0,1,0,0|2,0,0]=3 5649 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000212188 [0,0,0,1,0,0|2,0,0]=3 5650 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000212188 [0,0,0,1,0,0|2,0,0]=3 5651 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000212188 [0,0,0,1,0,0|2,0,0]=3 5652 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100000102301_100015190264 [0,0,0,1,0,0|3,0,0]=4 5653 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100000102301_100015190264 [0,0,0,1,0,0|3,0,0]=4 5654 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100000102301 [0,0,0,1,0,0|3,0,0]=4 5655 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 512a_100000102301_100015190264 [0,0,0,1,0,0|3,0,0]=4 5656 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 2708a_100000102301_100025746932 [0,0,0,1,0,0|3,0,0]=4 5657 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 273464a_100000102301_100025746932 [0,0,0,1,0,0|3,0,0]=4 5658 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100000102301_100025746932 [0,0,0,1,0,0|3,0,0]=4 5659 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100000102301 [0,0,0,1,0,0|3,0,0]=4 5660 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000745993 [0,0,0,1,0,0|3,0,0]=4 5661 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000745993 [0,0,0,1,0,0|3,0,0]=4 5662 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000745993 [0,0,0,1,0,0|3,0,0]=4 5663 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000745993 [0,0,0,1,0,0|3,0,0]=4 5664 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000745993 [0,0,0,1,0,0|3,0,0]=4 5665 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000745993 [0,0,0,1,0,0|3,0,0]=4 5666 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000217233 [0,0,0,1,0,0|3,0,0]=4 5667 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000217233 [0,0,0,1,0,0|3,0,0]=4 5668 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000217233 [0,0,0,1,0,0|3,0,0]=4 5669 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000217233 [0,0,0,1,0,0|3,0,0]=4 5670 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000217233 [0,0,0,1,0,0|3,0,0]=4 5671 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000217233 [0,0,0,1,0,0|3,0,0]=4 5672 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000749530 [0,0,0,1,0,0|3,0,0]=4 5673 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000749530 [0,0,0,1,0,0|3,0,0]=4 5674 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000749530 [0,0,0,1,0,0|3,0,0]=4 5675 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000749530 [0,0,0,1,0,0|3,0,0]=4 5676 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000749530 [0,0,0,1,0,0|3,0,0]=4 5677 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000749530 [0,0,0,1,0,0|3,0,0]=4 5678 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000230768 [0,0,0,1,0,0|3,0,0]=4 5679 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000230768 [0,0,0,1,0,0|3,0,0]=4 5680 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000230768 [0,0,0,1,0,0|3,0,0]=4 5681 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000230768 [0,0,0,1,0,0|3,0,0]=4 5682 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000230768 [0,0,0,1,0,0|3,0,0]=4 5683 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000230768 [0,0,0,1,0,0|3,0,0]=4 5684 B12R1.482 COCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000741012 [0,0,0,1,0,0|3,0,0]=4 5685 B12R1.482 COCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000741012 [0,0,0,1,0,0|3,0,0]=4 5686 B12R1.482 COCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000741012 [0,0,0,1,0,0|3,0,0]=4 5687 B12R1.482 COCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000741012 [0,0,0,1,0,0|3,0,0]=4 5688 B12R1.482 COCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000741012 [0,0,0,1,0,0|3,0,0]=4 5689 B12R1.482 COCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000741012 [0,0,0,1,0,0|3,0,0]=4 5690 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000173376 [0,0,0,1,0,0|3,0,0]=4 5691 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000173376 [0,0,0,1,0,0|3,0,0]=4 5692 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000173376 [0,0,0,1,0,0|3,0,0]=4 5693 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000173376 [0,0,0,1,0,0|3,0,0]=4 5694 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000173376 [0,0,0,1,0,0|3,0,0]=4 5695 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000173376 [0,0,0,1,0,0|3,0,0]=4 5696 B12R1.482 O=C(CCCCO)N[C@@H]1C[C@H]1F 1626a_100025746932_100000695505 [0,0,0,1,0,0|3,0,0]=4 5697 B12R1.483 C#CCCCC(=O)CC1CCC1 1458a_100000690238_100000763275 [0,0,0,1,0,0|1,0,2]=4 5698 B12R1.483 C#CCCCC(=O)CC1CCC1 1458a_100000763092_100000731252 [0,0,0,1,0,0|1,0,2]=4 5699 B12R1.483 C#CCCCC(=O)NC1CCC1 11a_100000749019_100000690238 [0,0,0,1,0,0|1,0,2]=4 5700 B12R1.483 C#CCCCC(=O)NC1CCC1 1626a_100000749019_100000690238 [0,0,0,1,0,0|1,0,2]=4 5701 B12R1.483 C#CCCCC(=O)NC1CCC1 240690a_100000749019_100000690238 [0,0,0,1,0,0|1,0,2]=4 5702 B12R1.483 C#CCCCC(=O)NC1CCC1 527a_100000749019_100000690238 [0,0,0,1,0,0|1,0,2]=4 5703 B12R1.483 C#CCCNC(=O)CC1CCC1 11a_100000755551_100000763092 [0,0,0,1,0,0|1,0,2]=4 5704 B12R1.483 C#CCCNC(=O)CC1CCC1 1626a_100000755551_100000763092 [0,0,0,1,0,0|1,0,2]=4 5705 B12R1.483 C#CCCNC(=O)CC1CCC1 240690a_100000755551_100000763092 [0,0,0,1,0,0|1,0,2]=4 5706 B12R1.483 C#CCCNC(=O)CC1CCC1 527a_100000755551_100000763092 [0,0,0,1,0,0|1,0,2]=4 5707 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000763092_100000757094 [0,0,0,1,0,0|1,0,2]=4 5708 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000766728_100000763275 [0,0,0,1,0,0|1,0,2]=4 5709 B12R1.483 C=CCCCC(=O)NC1CCC1 11a_100000749019_100000766728 [0,0,0,1,0,0|1,0,2]=4 5710 B12R1.483 C=CCCCC(=O)NC1CCC1 1626a_100000749019_100000766728 [0,0,0,1,0,0|1,0,2]=4 5711 B12R1.483 C=CCCCC(=O)NC1CCC1 240690a_100000749019_100000766728 [0,0,0,1,0,0|1,0,2]=4 5712 B12R1.483 C=CCCCC(=O)NC1CCC1 527a_100000749019_100000766728 [0,0,0,1,0,0|1,0,2]=4 5713 B12R1.483 C=CCCNC(=O)CC1CCC1 11a_100015191253_100000763092 [0,0,0,1,0,0|1,0,2]=4 5714 B12R1.483 C=CCCNC(=O)CC1CCC1 1626a_100015191253_100000763092 [0,0,0,1,0,0|1,0,2]=4 5715 B12R1.483 C=CCCNC(=O)CC1CCC1 240690a_100015191253_100000763092 [0,0,0,1,0,0|1,0,2]=4 5716 B12R1.483 C=CCCNC(=O)CC1CCC1 527a_100015191253_100000763092 [0,0,0,1,0,0|1,0,2]=4 5717 B12R1.483 CC#CCNC(=O)CC1CCC1 11a_100000685387_100000763092 [0,0,0,1,0,0|1,0,2]=4 5718 B12R1.483 CC#CCNC(=O)CC1CCC1 1626a_100000685387_100000763092 [0,0,0,1,0,0|1,0,2]=4 5719 B12R1.483 CC#CCNC(=O)CC1CCC1 527a_100000685387_100000763092 [0,0,0,1,0,0|1,0,2]=4 5720 B12R1.483 CC/C=C/CC(=O)CC1CCC1 1458a_100016274230_100000763275 [0,0,0,1,0,0|1,0,2]=4 5721 B12R1.483 CC/C=C/CC(=O)NC1CCC1 11a_100000749019_100016274230 [0,0,0,1,0,0|1,0,2]=4 5722 B12R1.483 CC/C=C/CC(=O)NC1CCC1 1626a_100000749019_100016274230 [0,0,0,1,0,0|1,0,2]=4 5723 B12R1.483 CC/C=C/CC(=O)NC1CCC1 240690a_100000749019_100016274230 [0,0,0,1,0,0|1,0,2]=4 5724 B12R1.483 CC/C=C/CC(=O)NC1CCC1 527a_100000749019_100016274230 [0,0,0,1,0,0|1,0,2]=4 5725 B12R1.483 CC/C=C\CC(=O)CC1CCC1 1458a_100000763092_100103147603 [0,0,0,1,0,0|1,0,2]=4 5726 B12R1.483 CCC#CCC(=O)CC1CCC1 1458a_100000763092_100009813939 [0,0,0,1,0,0|1,0,2]=4 5727 B12R1.483 CCCC#CC(=O)CC1CCC1 1458a_200011218047_100000763275 [0,0,0,1,0,0|1,0,1]=3 5728 B12R1.483 CCCC#CC(=O)CC1CCO1 1458a_200011218047_100000103362 [0,0,0,1,0,0|2,0,1]=4 5729 B12R1.483 CCCC#CC(=O)CC1COC1 1458a_200011218047_100010264016 [0,0,0,1,0,0|2,0,1]=4 5730 B12R1.483 CCCC#CC(=O)NC1CCC1 240690a_100000749019_200011218047 [0,0,0,1,0,0|1,0,2]=4 5731 B12R1.483 CCCC=CC(=O)CC1CCC1 1458a_100000212230_100000763275 [0,0,0,1,0,0|1,0,1]=3 5732 B12R1.483 CCCC=CC(=O)CC1CCO1 1458a_100000212230_100000103362 [0,0,0,1,0,0|2,0,1]=4 5733 B12R1.483 CCCC=CC(=O)CC1COC1 1458a_100000212230_100010264016 [0,0,0,1,0,0|2,0,1]=4 5734 B12R1.483 CCCC=CC(=O)NC1CCC1 11a_100000749019_100000212230 [0,0,0,1,0,0|1,0,2]=4 5735 B12R1.483 CCCC=CC(=O)NC1CCC1 1626a_100000749019_100000212230 [0,0,0,1,0,0|1,0,2]=4 5736 B12R1.483 CCCC=CC(=O)NC1CCC1 240690a_100000749019_100000212230 [0,0,0,1,0,0|1,0,2]=4 5737 B12R1.483 CCCCCC(=O)C=C1CCC1 1458a_100000686340_100000210326 [0,0,0,1,0,0|1,0,1]=3 5738 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000212188_100000763275 [0,0,0,1,0,0|1,0,0]=2 5739 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000763092_100000210326 [0,0,0,1,0,0|1,0,0]=2 5740 B12R1.483 CCCCCC(=O)CC1CCO1 1458a_100000212188_100000103362 [0,0,0,1,0,0|2,0,0]=3 5741 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000212188_100010264016 [0,0,0,1,0,0|2,0,0]=3 5742 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000687760_100000210326 [0,0,0,1,0,0|2,0,0]=3 5743 B12R1.483 CCCCCC(=O)CN1CCC1 269982a_100000754969_200012276598 [0,0,0,1,0,0|2,0,0]=3 5744 B12R1.483 CCCCCC(=O)NC1CCC1 11a_100000749019_100000212188 [0,0,0,1,0,0|1,0,0]=2 5745 B12R1.483 CCCCCC(=O)NC1CCC1 1626a_100000749019_100000212188 [0,0,0,1,0,0|1,0,0]=2 5746 B12R1.483 CCCCCC(=O)NC1CCC1 240690a_100000749019_100000212188 [0,0,0,1,0,0|1,0,0]=2 5747 B12R1.483 CCCCCC(=O)NC1CCC1 527a_100000749019_100000212188 [0,0,0,1,0,0|1,0,0]=2 5748 B12R1.483 CCCCCC(=O)NC1COC1 11a_100016991112_100000212188 [0,0,0,1,0,0|2,0,0]=3 5749 B12R1.483 CCCCCC(=O)NC1COC1 1626a_100016991112_100000212188 [0,0,0,1,0,0|2,0,0]=3 5750 B12R1.483 CCCCCC(=O)NC1COC1 240690a_100016991112_100000212188 [0,0,0,1,0,0|2,0,0]=3 5751 B12R1.483 CCCCCC(=O)NC1COC1 527a_100016991112_100000212188 [0,0,0,1,0,0|2,0,0]=3 5752 B12R1.483 CCCCCC(=O)NC1CSC1 11a_100016994217_100000212188 [0,0,0,1,0,0|2,0,0]=3 5753 B12R1.483 CCCCCC(=O)NC1CSC1 1626a_100016994217_100000212188 [0,0,0,1,0,0|2,0,0]=3 5754 B12R1.483 CCCCCC(=O)NC1CSC1 240690a_100016994217_100000212188 [0,0,0,1,0,0|2,0,0]=3 5755 B12R1.483 CCCCCC(=O)NC1CSC1 527a_100016994217_100000212188 [0,0,0,1,0,0|2,0,0]=3 5756 B12R1.483 CCCCCC(C)NC1CCC1 2230a_100000749019_200011218191 [0,0,0,1,0,0|2,0,1]=4 5757 B12R1.483 CCCCCC(C)NC1CCC1 270004a_100000211957_100000241760 [0,0,0,1,0,0|2,0,1]=4 5758 B12R1.483 CCCCCC(C)NC1CCC1 34a_100000749019_200011218191 [0,0,0,1,0,0|2,0,1]=4 5759 B12R1.483 CCCCCC(C)OC1CCC1 34a_100000748187_200011218191 [0,0,0,1,0,0|1,0,1]=3 5760 B12R1.483 CCCCCC(C)OC1CCC1 34a_100011215632_100000749161 [0,0,0,1,0,0|1,0,1]=3 5761 B12R1.483 CCCCCC(C)OC1COC1 34a_100011215632_100009818527 [0,0,0,1,0,0|2,0,1]=4 5762 B12R1.483 CCCCCC(C)OC1COC1 7a_100011215632_100009818527 [0,0,0,1,0,0|2,0,1]=4 5763 B12R1.483 CCCCCC(C)OC1CSC1 7a_100000072292_200011218191 [0,0,0,1,0,0|2,0,1]=4 5764 B12R1.483 CCCCCC(C)SC1CCC1 62a_200011218191_100000749161 [0,0,0,1,0,0|1,1,1]=4 5765 B12R1.483 CCCCCN(C)CC1CCC1 2230a_100000223495_100000763275 [0,0,0,1,0,0|3,0,0]=4 5766 B12R1.483 CCCCCN(C)CC1CCC1 2230a_200000750244_100000210326 [0,0,0,1,0,0|3,0,0]=4 5767 B12R1.483 CCCCCN(C)CC1CCC1 269982a_100000223495_100000763275 [0,0,0,1,0,0|3,0,0]=4 5768 B12R1.483 CCCCCN(C)CC1CCC1 269982a_200000750244_100000210215 [0,0,0,1,0,0|3,0,0]=4 5769 B12R1.483 CCCCCN(C)CC1CCC1 34a_200000750244_100000718602 [0,0,0,1,0,0|3,0,0]=4 5770 B12R1.483 CCCCNC(=O)C=C1CCC1 11a_100000102301_100000686340 [0,0,0,1,0,0|1,0,2]=4 5771 B12R1.483 CCCCNC(=O)C=C1CCC1 240690a_100000102301_100000686340 [0,0,0,1,0,0|1,0,2]=4 5772 B12R1.483 CCCCNC(=O)CC1CCC1 11a_100000102301_100000763092 [0,0,0,1,0,0|1,0,0]=2 5773 B12R1.483 CCCCNC(=O)CC1CCC1 1626a_100000102301_100000763092 [0,0,0,1,0,0|1,0,0]=2 5774 B12R1.483 CCCCNC(=O)CC1CCC1 240690a_100000102301_100000763092 [0,0,0,1,0,0|1,0,0]=2 5775 B12R1.483 CCCCNC(=O)CC1CCC1 527a_100000102301_100000763092 [0,0,0,1,0,0|1,0,0]=2 5776 B12R1.483 CCCCNC(=O)CC1COC1 11a_100000102301_100000687760 [0,0,0,1,0,0|2,0,0]=3 5777 B12R1.483 CCCCNC(=O)CC1COC1 1626a_100000102301_100000687760 [0,0,0,1,0,0|2,0,0]=3 5778 B12R1.483 CCCCNC(=O)CN1CCC1 269982a_100000754969_100000182744 [0,0,0,1,0,0|2,0,0]=3 5779 B12R1.483 CCCCNC(=O)NC1CCC1 2708a_100000102301_100000749019 [0,0,0,1,0,0|2,0,0]=3 5780 B12R1.483 CCCCNC(=O)NC1CCC1 273464a_100000102301_100000749019 [0,0,0,1,0,0|2,0,0]=3 5781 B12R1.483 CCCCNC(=O)NC1CCC1 273464a_100000749019_100000102301 [0,0,0,1,0,0|2,0,0]=3 5782 B12R1.483 CCCCNC(=O)NC1CCC1 512a_100000102301_100000749019 [0,0,0,1,0,0|2,0,0]=3 5783 B12R1.483 CCCCNC(=O)NC1CCC1 512a_100000749019_100000102301 [0,0,0,1,0,0|2,0,0]=3 5784 B12R1.483 CCCCNC(=O)NC1COC1 2708a_100000102301_100016991112 [0,0,0,1,0,0|3,0,0]=4 5785 B12R1.483 CCCCNC(=O)NC1COC1 2708a_100016991112_100000102301 [0,0,0,1,0,0|3,0,0]=4 5786 B12R1.483 CCCCNC(=O)NC1COC1 273464a_100000102301_100016991112 [0,0,0,1,0,0|3,0,0]=4 5787 B12R1.483 CCCCNC(=O)NC1COC1 273464a_100016991112_100000102301 [0,0,0,1,0,0|3,0,0]=4 5788 B12R1.483 CCCCNC(=O)NC1COC1 512a_100000102301_100016991112 [0,0,0,1,0,0|3,0,0]=4 5789 B12R1.483 CCCCNC(=O)NC1COC1 512a_100016991112_100000102301 [0,0,0,1,0,0|3,0,0]=4 5790 B12R1.483 CCCCNC(=O)NC1CSC1 2708a_100000102301_100016994217 [0,0,0,1,0,0|3,0,0]=4 5791 B12R1.483 CCCCNC(=O)NC1CSC1 2708a_100016994217_100000102301 [0,0,0,1,0,0|3,0,0]=4 5792 B12R1.483 CCCCNC(=O)NC1CSC1 273464a_100000102301_100016994217 [0,0,0,1,0,0|3,0,0]=4 5793 B12R1.483 CCCCNC(=O)NC1CSC1 273464a_100016994217_100000102301 [0,0,0,1,0,0|3,0,0]=4 5794 B12R1.483 CCCCNC(=O)NC1CSC1 512a_100000102301_100016994217 [0,0,0,1,0,0|3,0,0]=4 5795 B12R1.483 CCCCNC(=O)NC1CSC1 512a_100016994217_100000102301 [0,0,0,1,0,0|3,0,0]=4 5796 B12R1.483 CCCCOC(=O)CN1CCC1 269982a_100000754969_100000211628 [0,0,0,1,0,0|1,0,0]=2 5797 B12R1.483 CCCNNC(=O)CC1CCC1 22a_100000740057_100000763092 [0,0,0,1,0,0|2,0,0]=3 5798 B12R1.483 CCCNNC(=O)CC1COC1 22a_100000740057_100000687760 [0,0,0,1,0,0|3,0,0]=4 5799 B12R1.483 CCCNNC(=O)NC1CCC1 273464a_100000749019_100000740057 [0,0,0,1,0,0|3,0,0]=4 5800 B12R1.483 CCCNNC(=O)NC1CCC1 512a_100000740057_100000749019 [0,0,0,1,0,0|3,0,0]=4 5801 B12R1.483 CCCNNC(=O)NC1CCC1 512a_100000749019_100000740057 [0,0,0,1,0,0|3,0,0]=4 5802 B12R1.483 CCCOCC(=O)CC1CCC1 1458a_100000745993_100000763275 [0,0,0,1,0,0|2,0,0]=3 5803 B12R1.483 CCCOCC(=O)CC1CCO1 1458a_100000745993_100000103362 [0,0,0,1,0,0|3,0,0]=4 5804 B12R1.483 CCCOCC(=O)CC1COC1 1458a_100000745993_100010264016 [0,0,0,1,0,0|3,0,0]=4 5805 B12R1.483 CCCOCC(=O)NC1CCC1 11a_100000749019_100000745993 [0,0,0,1,0,0|2,0,0]=3 5806 B12R1.483 CCCOCC(=O)NC1CCC1 1626a_100000749019_100000745993 [0,0,0,1,0,0|2,0,0]=3 5807 B12R1.483 CCCOCC(=O)NC1CCC1 240690a_100000749019_100000745993 [0,0,0,1,0,0|2,0,0]=3 5808 B12R1.483 CCCOCC(=O)NC1CCC1 527a_100000749019_100000745993 [0,0,0,1,0,0|2,0,0]=3 5809 B12R1.483 CCCOCC(=O)NC1COC1 11a_100016991112_100000745993 [0,0,0,1,0,0|3,0,0]=4 5810 B12R1.483 CCCOCC(=O)NC1COC1 1626a_100016991112_100000745993 [0,0,0,1,0,0|3,0,0]=4 5811 B12R1.483 CCCOCC(=O)NC1COC1 240690a_100016991112_100000745993 [0,0,0,1,0,0|3,0,0]=4 5812 B12R1.483 CCCOCC(=O)NC1COC1 527a_100016991112_100000745993 [0,0,0,1,0,0|3,0,0]=4 5813 B12R1.483 CCCOCC(=O)NC1CSC1 11a_100016994217_100000745993 [0,0,0,1,0,0|3,0,0]=4 5814 B12R1.483 CCCOCC(=O)NC1CSC1 1626a_100016994217_100000745993 [0,0,0,1,0,0|3,0,0]=4 5815 B12R1.483 CCCOCC(=O)NC1CSC1 240690a_100016994217_100000745993 [0,0,0,1,0,0|3,0,0]=4 5816 B12R1.483 CCCOCC(=O)NC1CSC1 527a_100016994217_100000745993 [0,0,0,1,0,0|3,0,0]=4 5817 B12R1.483 CCCSCC(=O)CC1CCC1 1458a_100000217233_100000763275 [0,0,0,1,0,0|2,0,0]=3 5818 B12R1.483 CCCSCC(=O)CC1CCO1 1458a_100000217233_100000103362 [0,0,0,1,0,0|3,0,0]=4 5819 B12R1.483 CCCSCC(=O)CC1COC1 1458a_100000217233_100010264016 [0,0,0,1,0,0|3,0,0]=4 5820 B12R1.483 CCCSCC(=O)NC1CCC1 11a_100000749019_100000217233 [0,0,0,1,0,0|2,0,0]=3 5821 B12R1.483 CCCSCC(=O)NC1CCC1 1626a_100000749019_100000217233 [0,0,0,1,0,0|2,0,0]=3 5822 B12R1.483 CCCSCC(=O)NC1CCC1 240690a_100000749019_100000217233 [0,0,0,1,0,0|2,0,0]=3 5823 B12R1.483 CCCSCC(=O)NC1CCC1 527a_100000749019_100000217233 [0,0,0,1,0,0|2,0,0]=3 5824 B12R1.483 CCCSCC(=O)NC1COC1 11a_100016991112_100000217233 [0,0,0,1,0,0|3,0,0]=4 5825 B12R1.483 CCCSCC(=O)NC1COC1 1626a_100016991112_100000217233 [0,0,0,1,0,0|3,0,0]=4 5826 B12R1.483 CCCSCC(=O)NC1COC1 240690a_100016991112_100000217233 [0,0,0,1,0,0|3,0,0]=4 5827 B12R1.483 CCCSCC(=O)NC1COC1 527a_100016991112_100000217233 [0,0,0,1,0,0|3,0,0]=4 5828 B12R1.483 CCCSCC(=O)NC1CSC1 11a_100016994217_100000217233 [0,0,0,1,0,0|3,0,0]=4 5829 B12R1.483 CCCSCC(=O)NC1CSC1 1626a_100016994217_100000217233 [0,0,0,1,0,0|3,0,0]=4 5830 B12R1.483 CCCSCC(=O)NC1CSC1 240690a_100016994217_100000217233 [0,0,0,1,0,0|3,0,0]=4 5831 B12R1.483 CCCSCC(=O)NC1CSC1 527a_100016994217_100000217233 [0,0,0,1,0,0|3,0,0]=4 5832 B12R1.483 CCOC=CC(=O)CC1CCC1 1458a_100016266692_100000763275 [0,0,0,1,0,0|2,0,1]=4 5833 B12R1.483 CCOCCC(=O)C=C1CCC1 1458a_100000686340_100011215890 [0,0,0,1,0,0|2,0,1]=4 5834 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000749530_100000763275 [0,0,0,1,0,0|2,0,0]=3 5835 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000763092_100011215890 [0,0,0,1,0,0|2,0,0]=3 5836 B12R1.483 CCOCCC(=O)CC1CCO1 1458a_100000749530_100000103362 [0,0,0,1,0,0|3,0,0]=4 5837 B12R1.483 CCOCCC(=O)CC1COC1 1458a_100000687760_100011215890 [0,0,0,1,0,0|3,0,0]=4 5838 B12R1.483 CCOCCC(=O)CC1COC1 1458a_100000749530_100010264016 [0,0,0,1,0,0|3,0,0]=4 5839 B12R1.483 CCOCCC(=O)NC1CCC1 11a_100000749019_100000749530 [0,0,0,1,0,0|2,0,0]=3 5840 B12R1.483 CCOCCC(=O)NC1CCC1 1626a_100000749019_100000749530 [0,0,0,1,0,0|2,0,0]=3 5841 B12R1.483 CCOCCC(=O)NC1CCC1 240690a_100000749019_100000749530 [0,0,0,1,0,0|2,0,0]=3 5842 B12R1.483 CCOCCC(=O)NC1CCC1 527a_100000749019_100000749530 [0,0,0,1,0,0|2,0,0]=3 5843 B12R1.483 CCOCCC(=O)NC1COC1 11a_100016991112_100000749530 [0,0,0,1,0,0|3,0,0]=4 5844 B12R1.483 CCOCCC(=O)NC1COC1 1626a_100016991112_100000749530 [0,0,0,1,0,0|3,0,0]=4 5845 B12R1.483 CCOCCC(=O)NC1COC1 240690a_100016991112_100000749530 [0,0,0,1,0,0|3,0,0]=4 5846 B12R1.483 CCOCCC(=O)NC1COC1 527a_100016991112_100000749530 [0,0,0,1,0,0|3,0,0]=4 5847 B12R1.483 CCOCCC(=O)NC1CSC1 11a_100016994217_100000749530 [0,0,0,1,0,0|3,0,0]=4 5848 B12R1.483 CCOCCC(=O)NC1CSC1 1626a_100016994217_100000749530 [0,0,0,1,0,0|3,0,0]=4 5849 B12R1.483 CCOCCC(=O)NC1CSC1 240690a_100016994217_100000749530 [0,0,0,1,0,0|3,0,0]=4 5850 B12R1.483 CCOCCC(=O)NC1CSC1 527a_100016994217_100000749530 [0,0,0,1,0,0|3,0,0]=4 5851 B12R1.483 CCSCCC(=O)C=C1CCC1 1458a_100000686340_100000757381 [0,0,0,1,0,0|2,0,1]=4 5852 B12R1.483 CCSCCC(=O)CC1CCC1 1458a_100000230768_100000763275 [0,0,0,1,0,0|2,0,0]=3 5853 B12R1.483 CCSCCC(=O)CC1CCC1 1458a_100000763092_100000757381 [0,0,0,1,0,0|2,0,0]=3 5854 B12R1.483 CCSCCC(=O)CC1CCO1 1458a_100000230768_100000103362 [0,0,0,1,0,0|3,0,0]=4 5855 B12R1.483 CCSCCC(=O)CC1COC1 1458a_100000230768_100010264016 [0,0,0,1,0,0|3,0,0]=4 5856 B12R1.483 CCSCCC(=O)CC1COC1 1458a_100000687760_100000757381 [0,0,0,1,0,0|3,0,0]=4 5857 B12R1.483 CCSCCC(=O)NC1CCC1 11a_100000749019_100000230768 [0,0,0,1,0,0|2,0,0]=3 5858 B12R1.483 CCSCCC(=O)NC1CCC1 1626a_100000749019_100000230768 [0,0,0,1,0,0|2,0,0]=3 5859 B12R1.483 CCSCCC(=O)NC1CCC1 240690a_100000749019_100000230768 [0,0,0,1,0,0|2,0,0]=3 5860 B12R1.483 CCSCCC(=O)NC1CCC1 527a_100000749019_100000230768 [0,0,0,1,0,0|2,0,0]=3 5861 B12R1.483 CCSCCC(=O)NC1COC1 11a_100016991112_100000230768 [0,0,0,1,0,0|3,0,0]=4 5862 B12R1.483 CCSCCC(=O)NC1COC1 1626a_100016991112_100000230768 [0,0,0,1,0,0|3,0,0]=4 5863 B12R1.483 CCSCCC(=O)NC1COC1 240690a_100016991112_100000230768 [0,0,0,1,0,0|3,0,0]=4 5864 B12R1.483 CCSCCC(=O)NC1COC1 527a_100016991112_100000230768 [0,0,0,1,0,0|3,0,0]=4 5865 B12R1.483 CCSCCC(=O)NC1CSC1 11a_100016994217_100000230768 [0,0,0,1,0,0|3,0,0]=4 5866 B12R1.483 CCSCCC(=O)NC1CSC1 1626a_100016994217_100000230768 [0,0,0,1,0,0|3,0,0]=4 5867 B12R1.483 CCSCCC(=O)NC1CSC1 240690a_100016994217_100000230768 [0,0,0,1,0,0|3,0,0]=4 5868 B12R1.483 CCSCCC(=O)NC1CSC1 527a_100016994217_100000230768 [0,0,0,1,0,0|3,0,0]=4 5869 B12R1.483 COCC=CC(=O)CC1CCC1 1458a_100016285016_100000763275 [0,0,0,1,0,0|2,0,1]=4 5870 B12R1.483 COCCCC(=O)C=C1CCC1 1458a_100000686340_100000740836 [0,0,0,1,0,0|2,0,1]=4 5871 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000741012_100000763275 [0,0,0,1,0,0|2,0,0]=3 5872 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000763092_100000740836 [0,0,0,1,0,0|2,0,0]=3 5873 B12R1.483 COCCCC(=O)CC1CCO1 1458a_100000741012_100000103362 [0,0,0,1,0,0|3,0,0]=4 5874 B12R1.483 COCCCC(=O)CC1COC1 1458a_100000687760_100000740836 [0,0,0,1,0,0|3,0,0]=4 5875 B12R1.483 COCCCC(=O)CC1COC1 1458a_100000741012_100010264016 [0,0,0,1,0,0|3,0,0]=4 5876 B12R1.483 COCCCC(=O)NC1CCC1 11a_100000749019_100000741012 [0,0,0,1,0,0|2,0,0]=3 5877 B12R1.483 COCCCC(=O)NC1CCC1 1626a_100000749019_100000741012 [0,0,0,1,0,0|2,0,0]=3 5878 B12R1.483 COCCCC(=O)NC1CCC1 240690a_100000749019_100000741012 [0,0,0,1,0,0|2,0,0]=3 5879 B12R1.483 COCCCC(=O)NC1CCC1 527a_100000749019_100000741012 [0,0,0,1,0,0|2,0,0]=3 5880 B12R1.483 COCCCC(=O)NC1COC1 11a_100016991112_100000741012 [0,0,0,1,0,0|3,0,0]=4 5881 B12R1.483 COCCCC(=O)NC1COC1 1626a_100016991112_100000741012 [0,0,0,1,0,0|3,0,0]=4 5882 B12R1.483 COCCCC(=O)NC1COC1 240690a_100016991112_100000741012 [0,0,0,1,0,0|3,0,0]=4 5883 B12R1.483 COCCCC(=O)NC1COC1 527a_100016991112_100000741012 [0,0,0,1,0,0|3,0,0]=4 5884 B12R1.483 COCCCC(=O)NC1CSC1 11a_100016994217_100000741012 [0,0,0,1,0,0|3,0,0]=4 5885 B12R1.483 COCCCC(=O)NC1CSC1 1626a_100016994217_100000741012 [0,0,0,1,0,0|3,0,0]=4 5886 B12R1.483 COCCCC(=O)NC1CSC1 240690a_100016994217_100000741012 [0,0,0,1,0,0|3,0,0]=4 5887 B12R1.483 COCCCC(=O)NC1CSC1 527a_100016994217_100000741012 [0,0,0,1,0,0|3,0,0]=4 5888 B12R1.483 COCCCC(C)OC1CCC1 34a_200011539412_100000749161 [0,0,0,1,0,0|2,0,1]=4 5889 B12R1.483 COCCNC(=O)CC1CCC1 1626a_100000209980_100000763092 [0,0,0,1,0,0|2,0,0]=3 5890 B12R1.483 COCCNC(=O)CC1CCC1 240690a_100000209980_100000763092 [0,0,0,1,0,0|2,0,0]=3 5891 B12R1.483 COCCNC(=O)CC1CCC1 527a_100000209980_100000763092 [0,0,0,1,0,0|2,0,0]=3 5892 B12R1.483 COCCNC(=O)CC1COC1 1626a_100000209980_100000687760 [0,0,0,1,0,0|3,0,0]=4 5893 B12R1.483 COCCNC(=O)CN1CCC1 269982a_100000754969_100000183275 [0,0,0,1,0,0|3,0,0]=4 5894 B12R1.483 COCCNC(=O)NC1CCC1 273464a_100000209980_100000749019 [0,0,0,1,0,0|3,0,0]=4 5895 B12R1.483 COCCNC(=O)NC1CCC1 273464a_100000749019_100000209980 [0,0,0,1,0,0|3,0,0]=4 5896 B12R1.483 COCCOC(=O)CN1CCC1 269982a_100000754969_200000040189 [0,0,0,1,0,0|2,0,0]=3 5897 B12R1.483 CSCCCC(=O)CC1CCC1 1458a_100000173376_100000763275 [0,0,0,1,0,0|2,0,0]=3 5898 B12R1.483 CSCCCC(=O)CC1CCO1 1458a_100000173376_100000103362 [0,0,0,1,0,0|3,0,0]=4 5899 B12R1.483 CSCCCC(=O)CC1COC1 1458a_100000173376_100010264016 [0,0,0,1,0,0|3,0,0]=4 5900 B12R1.483 CSCCCC(=O)NC1CCC1 11a_100000749019_100000173376 [0,0,0,1,0,0|2,0,0]=3 5901 B12R1.483 CSCCCC(=O)NC1CCC1 1626a_100000749019_100000173376 [0,0,0,1,0,0|2,0,0]=3 5902 B12R1.483 CSCCCC(=O)NC1CCC1 240690a_100000749019_100000173376 [0,0,0,1,0,0|2,0,0]=3 5903 B12R1.483 CSCCCC(=O)NC1CCC1 527a_100000749019_100000173376 [0,0,0,1,0,0|2,0,0]=3 5904 B12R1.483 CSCCCC(=O)NC1COC1 11a_100016991112_100000173376 [0,0,0,1,0,0|3,0,0]=4 5905 B12R1.483 CSCCCC(=O)NC1COC1 1626a_100016991112_100000173376 [0,0,0,1,0,0|3,0,0]=4 5906 B12R1.483 CSCCCC(=O)NC1COC1 240690a_100016991112_100000173376 [0,0,0,1,0,0|3,0,0]=4 5907 B12R1.483 CSCCCC(=O)NC1COC1 527a_100016991112_100000173376 [0,0,0,1,0,0|3,0,0]=4 5908 B12R1.483 CSCCCC(=O)NC1CSC1 11a_100016994217_100000173376 [0,0,0,1,0,0|3,0,0]=4 5909 B12R1.483 CSCCCC(=O)NC1CSC1 1626a_100016994217_100000173376 [0,0,0,1,0,0|3,0,0]=4 5910 B12R1.483 CSCCCC(=O)NC1CSC1 240690a_100016994217_100000173376 [0,0,0,1,0,0|3,0,0]=4 5911 B12R1.483 CSCCCC(=O)NC1CSC1 527a_100016994217_100000173376 [0,0,0,1,0,0|3,0,0]=4 5912 B12R1.483 CSCCNC(=O)CC1CCC1 11a_100020590264_100000763092 [0,0,0,1,0,0|2,0,0]=3 5913 B12R1.483 CSCCNC(=O)CC1CCC1 1626a_100020590264_100000763092 [0,0,0,1,0,0|2,0,0]=3 5914 B12R1.483 CSCCNC(=O)CC1CCC1 240690a_100020590264_100000763092 [0,0,0,1,0,0|2,0,0]=3 5915 B12R1.483 CSCCNC(=O)CC1CCC1 527a_100020590264_100000763092 [0,0,0,1,0,0|2,0,0]=3 5916 B12R1.483 CSCCNC(=O)CC1COC1 11a_100020590264_100000687760 [0,0,0,1,0,0|3,0,0]=4 5917 B12R1.483 CSCCNC(=O)CC1COC1 1626a_100020590264_100000687760 [0,0,0,1,0,0|3,0,0]=4 5918 B12R1.483 CSCCNC(=O)NC1CCC1 2708a_100020590264_100000749019 [0,0,0,1,0,0|3,0,0]=4 5919 B12R1.483 CSCCNC(=O)NC1CCC1 273464a_100000749019_100020590264 [0,0,0,1,0,0|3,0,0]=4 5920 B12R1.483 CSCCNC(=O)NC1CCC1 273464a_100020590264_100000749019 [0,0,0,1,0,0|3,0,0]=4 5921 B12R1.483 CSCCNC(=O)NC1CCC1 512a_100000749019_100020590264 [0,0,0,1,0,0|3,0,0]=4 5922 B12R1.483 CSCCNC(=O)NC1CCC1 512a_100020590264_100000749019 [0,0,0,1,0,0|3,0,0]=4 5923 B12R1.483 N#CCCCC(=O)CC1CCC1 1458a_100000075515_100000763275 [0,0,0,1,0,0|2,0,1]=4 5924 B12R1.483 N#CCCCC(=O)CC1CCC1 1458a_100000763092_100000211468 [0,0,0,1,0,0|2,0,1]=4 5925 B12R1.483 N#CCCCC(=O)NC1CCC1 11a_100000749019_100000075515 [0,0,0,1,0,0|2,0,1]=4 5926 B12R1.483 N#CCCCC(=O)NC1CCC1 1626a_100000749019_100000075515 [0,0,0,1,0,0|2,0,1]=4 5927 B12R1.483 N#CCCCC(=O)NC1CCC1 240690a_100000749019_100000075515 [0,0,0,1,0,0|2,0,1]=4 5928 B12R1.483 N#CCCCC(=O)NC1CCC1 527a_100000749019_100000075515 [0,0,0,1,0,0|2,0,1]=4 5929 B12R1.483 N#CCCNC(=O)CC1CCC1 11a_100000720768_100000763092 [0,0,0,1,0,0|2,0,1]=4 5930 B12R1.483 N#CCCNC(=O)CC1CCC1 1626a_100000720768_100000763092 [0,0,0,1,0,0|2,0,1]=4 5931 B12R1.483 N#CCCNC(=O)CC1CCC1 240690a_100000720768_100000763092 [0,0,0,1,0,0|2,0,1]=4 5932 B12R1.483 N#CCCNC(=O)CC1CCC1 527a_100000720768_100000763092 [0,0,0,1,0,0|2,0,1]=4 5933 B12R1.483 O=C(C=C1CCC1)CCCCF 1458a_100000686340_100000729493 [0,0,0,1,0,0|2,0,1]=4 5934 B12R1.483 O=C(C=C1CCC1)CCCCO 1458a_100000686340_100000210776 [0,0,0,1,0,0|2,0,1]=4 5935 B12R1.483 O=C(CC1CCC1)NCCCF 11a_100015189416_100000763092 [0,0,0,1,0,0|2,0,0]=3 5936 B12R1.483 O=C(CC1CCC1)NCCCF 1626a_100015189416_100000763092 [0,0,0,1,0,0|2,0,0]=3 5937 B12R1.483 O=C(CC1CCC1)NCCCF 240690a_100015189416_100000763092 [0,0,0,1,0,0|2,0,0]=3 5938 B12R1.483 O=C(CC1CCC1)NCCCF 527a_100015189416_100000763092 [0,0,0,1,0,0|2,0,0]=3 5939 B12R1.483 O=C(CC1CCC1)NCCCO 240690a_100000182051_100000763092 [0,0,0,1,0,0|2,0,0]=3 5940 B12R1.483 O=C(CC1CCC1)NCCCO 527a_100000182051_100000763092 [0,0,0,1,0,0|2,0,0]=3 5941 B12R1.483 O=C(CC1CCC1)NNCCO 22a_100000210001_100000763092 [0,0,0,1,0,0|3,0,0]=4 5942 B12R1.483 O=C(CC1COC1)NCCCF 11a_100015189416_100000687760 [0,0,0,1,0,0|3,0,0]=4 5943 B12R1.483 O=C(CC1COC1)NCCCF 1626a_100015189416_100000687760 [0,0,0,1,0,0|3,0,0]=4 5944 B12R1.483 O=C(CCCCF)CC1CCC1 1458a_100000763092_100000729493 [0,0,0,1,0,0|2,0,0]=3 5945 B12R1.483 O=C(CCCCF)CC1COC1 1458a_100000687760_100000729493 [0,0,0,1,0,0|3,0,0]=4 5946 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000695505_100000763275 [0,0,0,1,0,0|2,0,0]=3 5947 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000763092_100000210776 [0,0,0,1,0,0|2,0,0]=3 5948 B12R1.483 O=C(CCCCO)CC1CCO1 1458a_100000695505_100000103362 [0,0,0,1,0,0|3,0,0]=4 5949 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000687760_100000210776 [0,0,0,1,0,0|3,0,0]=4 5950 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000695505_100010264016 [0,0,0,1,0,0|3,0,0]=4 5951 B12R1.483 O=C(CCCCO)NC1CCC1 1626a_100000749019_100000695505 [0,0,0,1,0,0|2,0,0]=3 5952 B12R1.483 O=C(CCCCO)NC1COC1 1626a_100016991112_100000695505 [0,0,0,1,0,0|3,0,0]=4 5953 B12R1.483 O=C(CCCCO)NC1CSC1 1626a_100016994217_100000695505 [0,0,0,1,0,0|3,0,0]=4 5954 B12R1.483 O=C(COCCO)CC1CCC1 1458a_100000708028_100000763275 [0,0,0,1,0,0|3,0,0]=4 5955 B12R1.483 O=C(COCCO)NC1CCC1 1626a_100000749019_100000708028 [0,0,0,1,0,0|3,0,0]=4 5956 B12R1.483 O=C(COCCO)NC1CCC1 240690a_100000749019_100000708028 [0,0,0,1,0,0|3,0,0]=4 5957 B12R1.483 O=C(NCCCF)NC1CCC1 2708a_100015189416_100000749019 [0,0,0,1,0,0|3,0,0]=4 5958 B12R1.483 O=C(NCCCF)NC1CCC1 273464a_100000749019_100015189416 [0,0,0,1,0,0|3,0,0]=4 5959 B12R1.483 O=C(NCCCF)NC1CCC1 273464a_100015189416_100000749019 [0,0,0,1,0,0|3,0,0]=4 5960 B12R1.483 O=C(NCCCF)NC1CCC1 512a_100000749019_100015189416 [0,0,0,1,0,0|3,0,0]=4 5961 B12R1.483 O=C(NCCCF)NC1CCC1 512a_100015189416_100000749019 [0,0,0,1,0,0|3,0,0]=4 5962 B12R1.483 O=C(NCCCO)NC1CCC1 273464a_100000182051_100000749019 [0,0,0,1,0,0|3,0,0]=4 5963 B12R1.483 O=C(NCCCO)NC1CCC1 273464a_100000749019_100000182051 [0,0,0,1,0,0|3,0,0]=4 5964 B12R1.483 O=C(NCCCO)NC1CCC1 512a_100000749019_100000182051 [0,0,0,1,0,0|3,0,0]=4 5965 B12R1.484 C#CCCCC(=O)CCC1CC1 1458a_100000690238_100000694398 [0,0,0,1,0,0|1,0,2]=4 5966 B12R1.484 C#CCCCC(=O)CCC1CC1 1458a_100000756386_100000731252 [0,0,0,1,0,0|1,0,2]=4 5967 B12R1.484 C#CCCCC(=O)NCC1CC1 11a_100000735609_100000690238 [0,0,0,1,0,0|1,0,2]=4 5968 B12R1.484 C#CCCCC(=O)NCC1CC1 1626a_100000735609_100000690238 [0,0,0,1,0,0|1,0,2]=4 5969 B12R1.484 C#CCCCC(=O)NCC1CC1 240690a_100000735609_100000690238 [0,0,0,1,0,0|1,0,2]=4 5970 B12R1.484 C#CCCCC(=O)NCC1CC1 527a_100000735609_100000690238 [0,0,0,1,0,0|1,0,2]=4 5971 B12R1.484 C#CCCNC(=O)CCC1CC1 11a_100000755551_100000756386 [0,0,0,1,0,0|1,0,2]=4 5972 B12R1.484 C#CCCNC(=O)CCC1CC1 1626a_100000755551_100000756386 [0,0,0,1,0,0|1,0,2]=4 5973 B12R1.484 C#CCCNC(=O)CCC1CC1 240690a_100000755551_100000756386 [0,0,0,1,0,0|1,0,2]=4 5974 B12R1.484 C#CCCNC(=O)CCC1CC1 527a_100000755551_100000756386 [0,0,0,1,0,0|1,0,2]=4 5975 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000756386_100000757094 [0,0,0,1,0,0|1,0,2]=4 5976 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000766728_100000694398 [0,0,0,1,0,0|1,0,2]=4 5977 B12R1.484 C=CCCCC(=O)NCC1CC1 11a_100000735609_100000766728 [0,0,0,1,0,0|1,0,2]=4 5978 B12R1.484 C=CCCCC(=O)NCC1CC1 1626a_100000735609_100000766728 [0,0,0,1,0,0|1,0,2]=4 5979 B12R1.484 C=CCCCC(=O)NCC1CC1 240690a_100000735609_100000766728 [0,0,0,1,0,0|1,0,2]=4 5980 B12R1.484 C=CCCCC(=O)NCC1CC1 527a_100000735609_100000766728 [0,0,0,1,0,0|1,0,2]=4 5981 B12R1.484 C=CCCNC(=O)CCC1CC1 11a_100015191253_100000756386 [0,0,0,1,0,0|1,0,2]=4 5982 B12R1.484 C=CCCNC(=O)CCC1CC1 1626a_100015191253_100000756386 [0,0,0,1,0,0|1,0,2]=4 5983 B12R1.484 C=CCCNC(=O)CCC1CC1 240690a_100015191253_100000756386 [0,0,0,1,0,0|1,0,2]=4 5984 B12R1.484 C=CCCNC(=O)CCC1CC1 527a_100015191253_100000756386 [0,0,0,1,0,0|1,0,2]=4 5985 B12R1.484 CC#CCNC(=O)CCC1CC1 11a_100000685387_100000756386 [0,0,0,1,0,0|1,0,2]=4 5986 B12R1.484 CC#CCNC(=O)CCC1CC1 1626a_100000685387_100000756386 [0,0,0,1,0,0|1,0,2]=4 5987 B12R1.484 CC#CCNC(=O)CCC1CC1 527a_100000685387_100000756386 [0,0,0,1,0,0|1,0,2]=4 5988 B12R1.484 CC/C=C/CC(=O)CCC1CC1 1458a_100016274230_100000694398 [0,0,0,1,0,0|1,0,2]=4 5989 B12R1.484 CC/C=C/CC(=O)NCC1CC1 11a_100000735609_100016274230 [0,0,0,1,0,0|1,0,2]=4 5990 B12R1.484 CC/C=C/CC(=O)NCC1CC1 1626a_100000735609_100016274230 [0,0,0,1,0,0|1,0,2]=4 5991 B12R1.484 CC/C=C/CC(=O)NCC1CC1 240690a_100000735609_100016274230 [0,0,0,1,0,0|1,0,2]=4 5992 B12R1.484 CC/C=C/CC(=O)NCC1CC1 527a_100000735609_100016274230 [0,0,0,1,0,0|1,0,2]=4 5993 B12R1.484 CC/C=C\CC(=O)CCC1CC1 1458a_100000756386_100103147603 [0,0,0,1,0,0|1,0,2]=4 5994 B12R1.484 CCC#CCC(=O)CCC1CC1 1458a_100000756386_100009813939 [0,0,0,1,0,0|1,0,2]=4 5995 B12R1.484 CCCC#CC(=O)CCC1CC1 1458a_200011218047_100000694398 [0,0,0,1,0,0|1,0,1]=3 5996 B12R1.484 CCCC#CC(=O)CCC1CO1 1458a_200011218047_100000732470 [0,0,0,1,0,0|2,0,1]=4 5997 B12R1.484 CCCC#CC(=O)NCC1CC1 240690a_100000735609_200011218047 [0,0,0,1,0,0|1,0,2]=4 5998 B12R1.484 CCCC=CC(=O)CCC1CC1 1458a_100000212230_100000694398 [0,0,0,1,0,0|1,0,1]=3 5999 B12R1.484 CCCC=CC(=O)CCC1CO1 1458a_100000212230_100000732470 [0,0,0,1,0,0|2,0,1]=4 6000 B12R1.484 CCCC=CC(=O)NCC1CC1 11a_100000735609_100000212230 [0,0,0,1,0,0|1,0,2]=4 6001 B12R1.484 CCCC=CC(=O)NCC1CC1 1626a_100000735609_100000212230 [0,0,0,1,0,0|1,0,2]=4 6002 B12R1.484 CCCC=CC(=O)NCC1CC1 240690a_100000735609_100000212230 [0,0,0,1,0,0|1,0,2]=4 6003 B12R1.484 CCCCCC(=NNC1CC1)C 4a_100000701032_100000211708 [0,0,0,1,0,0|3,0,0]=4 6004 B12R1.484 CCCCCC(=O)C=CC1CC1 1458a_100102529529_100000210326 [0,0,0,1,0,0|1,0,1]=3 6005 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000212188_100000694398 [0,0,0,1,0,0|1,0,0]=2 6006 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000756386_100000210326 [0,0,0,1,0,0|1,0,0]=2 6007 B12R1.484 CCCCCC(=O)CCC1CO1 1458a_100000212188_100000732470 [0,0,0,1,0,0|2,0,0]=3 6008 B12R1.484 CCCCCC(=O)CNC1CC1 34a_100000212008_200012276598 [0,0,0,1,0,0|2,0,0]=3 6009 B12R1.484 CCCCCC(=O)CSC1CC1 62a_200012276598_100000211595 [0,0,0,1,0,0|2,0,0]=3 6010 B12R1.484 CCCCCC(=O)NCC1CC1 11a_100000735609_100000212188 [0,0,0,1,0,0|1,0,0]=2 6011 B12R1.484 CCCCCC(=O)NCC1CC1 1626a_100000735609_100000212188 [0,0,0,1,0,0|1,0,0]=2 6012 B12R1.484 CCCCCC(=O)NCC1CC1 240690a_100000735609_100000212188 [0,0,0,1,0,0|1,0,0]=2 6013 B12R1.484 CCCCCC(=O)NCC1CC1 527a_100000735609_100000212188 [0,0,0,1,0,0|1,0,0]=2 6014 B12R1.484 CCCCCC(=O)NNC1CC1 22a_100000701032_100000212188 [0,0,0,1,0,0|2,0,0]=3 6015 B12R1.484 CCCCCC(C)NCC1CC1 2230a_100000211957_100000742324 [0,0,0,1,0,0|2,0,1]=4 6016 B12R1.484 CCCCCC(C)NCC1CC1 2230a_100000735609_200011218191 [0,0,0,1,0,0|2,0,1]=4 6017 B12R1.484 CCCCCC(C)NCC1CC1 269862a_100000211957_100000741477 [0,0,0,1,0,0|2,0,1]=4 6018 B12R1.484 CCCCCC(C)NCC1CC1 270004a_100000735609_100000211708 [0,0,0,1,0,0|2,0,1]=4 6019 B12R1.484 CCCCCC(C)NCC1CC1 34a_100000735609_200011218191 [0,0,0,1,0,0|2,0,1]=4 6020 B12R1.484 CCCCCC(C)OCC1CC1 34a_100000211283_200011218191 [0,0,0,1,0,0|1,0,1]=3 6021 B12R1.484 CCCCCC(C)OCC1CC1 34a_100011215632_100000742324 [0,0,0,1,0,0|1,0,1]=3 6022 B12R1.484 CCCCCC(C)OCC1CC1 7a_100011215632_100000742324 [0,0,0,1,0,0|1,0,1]=3 6023 B12R1.484 CCCCCC(C)OCC1CO1 34a_100011215632_102125554688 [0,0,0,1,0,0|2,0,1]=4 6024 B12R1.484 CCCCCC(C)OCC1CO1 7a_100011215632_102125554688 [0,0,0,1,0,0|2,0,1]=4 6025 B12R1.484 CCCCCC(C)OCC1CS1 7a_100011215632_100000031435 [0,0,0,1,0,0|2,0,1]=4 6026 B12R1.484 CCCCCC(C)OC[C@@H]1CO1 34a_100000757423_200011218191 [0,0,0,1,0,0|2,0,1]=4 6027 B12R1.484 CCCCCC(C)OC[C@@H]1CO1 7a_100011215632_100000745022 [0,0,0,1,0,0|2,0,1]=4 6028 B12R1.484 CCCCCC(C)SCC1CC1 62a_100000756562_200011218191 [0,0,0,1,0,0|1,1,1]=4 6029 B12R1.484 CCCCCC(C)SCC1CC1 62a_200011218191_100000742324 [0,0,0,1,0,0|1,1,1]=4 6030 B12R1.484 CCCCCN(C)CCC1CC1 2230a_100000223495_100000694398 [0,0,0,1,0,0|3,0,0]=4 6031 B12R1.484 CCCCCN(C)CCC1CC1 269982a_100000223495_100000694398 [0,0,0,1,0,0|3,0,0]=4 6032 B12R1.484 CCCCNC(=O)C=CC1CC1 11a_100000102301_100102529529 [0,0,0,1,0,0|1,0,2]=4 6033 B12R1.484 CCCCNC(=O)C=CC1CC1 1626a_100000102301_100102529529 [0,0,0,1,0,0|1,0,2]=4 6034 B12R1.484 CCCCNC(=O)C=CC1CC1 240690a_100000102301_100102529529 [0,0,0,1,0,0|1,0,2]=4 6035 B12R1.484 CCCCNC(=O)CCC1CC1 11a_100000102301_100000756386 [0,0,0,1,0,0|1,0,0]=2 6036 B12R1.484 CCCCNC(=O)CCC1CC1 1626a_100000102301_100000756386 [0,0,0,1,0,0|1,0,0]=2 6037 B12R1.484 CCCCNC(=O)CCC1CC1 240690a_100000102301_100000756386 [0,0,0,1,0,0|1,0,0]=2 6038 B12R1.484 CCCCNC(=O)CCC1CC1 527a_100000102301_100000756386 [0,0,0,1,0,0|1,0,0]=2 6039 B12R1.484 CCCCNC(=O)CNC1CC1 34a_100000212008_100000182744 [0,0,0,1,0,0|2,0,0]=3 6040 B12R1.484 CCCCNC(=O)CSC1CC1 62a_100000182744_100000211595 [0,0,0,1,0,0|2,0,0]=3 6041 B12R1.484 CCCCNC(=O)NCC1CC1 2708a_100000102301_100000735609 [0,0,0,1,0,0|2,0,0]=3 6042 B12R1.484 CCCCNC(=O)NCC1CC1 2708a_100000735609_100000102301 [0,0,0,1,0,0|2,0,0]=3 6043 B12R1.484 CCCCNC(=O)NCC1CC1 273464a_100000102301_100000735609 [0,0,0,1,0,0|2,0,0]=3 6044 B12R1.484 CCCCNC(=O)NCC1CC1 273464a_100000735609_100000102301 [0,0,0,1,0,0|2,0,0]=3 6045 B12R1.484 CCCCNC(=O)NCC1CC1 512a_100000102301_100000735609 [0,0,0,1,0,0|2,0,0]=3 6046 B12R1.484 CCCCNC(=O)NCC1CC1 512a_100000735609_100000102301 [0,0,0,1,0,0|2,0,0]=3 6047 B12R1.484 CCCCNC(=O)NNC1CC1 273464a_100000102301_100000701032 [0,0,0,1,0,0|3,0,0]=4 6048 B12R1.484 CCCCNC(=O)NNC1CC1 512a_100000102301_100000701032 [0,0,0,1,0,0|3,0,0]=4 6049 B12R1.484 CCCCNC(=O)NNC1CC1 512a_100000701032_100000102301 [0,0,0,1,0,0|3,0,0]=4 6050 B12R1.484 CCCCOC(=O)CNC1CC1 34a_100000212008_100000211628 [0,0,0,1,0,0|1,0,0]=2 6051 B12R1.484 CCCCOC(=O)CSC1CC1 62a_100000211628_100000211595 [0,0,0,1,0,0|1,0,0]=2 6052 B12R1.484 CCCNNC(=O)CCC1CC1 22a_100000740057_100000756386 [0,0,0,1,0,0|2,0,0]=3 6053 B12R1.484 CCCNNC(=O)NCC1CC1 273464a_100000735609_100000740057 [0,0,0,1,0,0|3,0,0]=4 6054 B12R1.484 CCCNNC(=O)NCC1CC1 512a_100000735609_100000740057 [0,0,0,1,0,0|3,0,0]=4 6055 B12R1.484 CCCNNC(=O)NCC1CC1 512a_100000740057_100000735609 [0,0,0,1,0,0|3,0,0]=4 6056 B12R1.484 CCCOCC(=O)CCC1CC1 1458a_100000745993_100000694398 [0,0,0,1,0,0|2,0,0]=3 6057 B12R1.484 CCCOCC(=O)CCC1CO1 1458a_100000745993_100000732470 [0,0,0,1,0,0|3,0,0]=4 6058 B12R1.484 CCCOCC(=O)NCC1CC1 11a_100000735609_100000745993 [0,0,0,1,0,0|2,0,0]=3 6059 B12R1.484 CCCOCC(=O)NCC1CC1 1626a_100000735609_100000745993 [0,0,0,1,0,0|2,0,0]=3 6060 B12R1.484 CCCOCC(=O)NCC1CC1 240690a_100000735609_100000745993 [0,0,0,1,0,0|2,0,0]=3 6061 B12R1.484 CCCOCC(=O)NCC1CC1 527a_100000735609_100000745993 [0,0,0,1,0,0|2,0,0]=3 6062 B12R1.484 CCCOCC(=O)NNC1CC1 22a_100000701032_100000745993 [0,0,0,1,0,0|3,0,0]=4 6063 B12R1.484 CCCSCC(=O)CCC1CC1 1458a_100000217233_100000694398 [0,0,0,1,0,0|2,0,0]=3 6064 B12R1.484 CCCSCC(=O)CCC1CO1 1458a_100000217233_100000732470 [0,0,0,1,0,0|3,0,0]=4 6065 B12R1.484 CCCSCC(=O)NCC1CC1 11a_100000735609_100000217233 [0,0,0,1,0,0|2,0,0]=3 6066 B12R1.484 CCCSCC(=O)NCC1CC1 1626a_100000735609_100000217233 [0,0,0,1,0,0|2,0,0]=3 6067 B12R1.484 CCCSCC(=O)NCC1CC1 240690a_100000735609_100000217233 [0,0,0,1,0,0|2,0,0]=3 6068 B12R1.484 CCCSCC(=O)NCC1CC1 527a_100000735609_100000217233 [0,0,0,1,0,0|2,0,0]=3 6069 B12R1.484 CCCSCC(=O)NNC1CC1 22a_100000701032_100000217233 [0,0,0,1,0,0|3,0,0]=4 6070 B12R1.484 CCOC=CC(=O)CCC1CC1 1458a_100016266692_100000694398 [0,0,0,1,0,0|2,0,1]=4 6071 B12R1.484 CCOCCC(=O)C=CC1CC1 1458a_100102529529_100011215890 [0,0,0,1,0,0|2,0,1]=4 6072 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000749530_100000694398 [0,0,0,1,0,0|2,0,0]=3 6073 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000756386_100011215890 [0,0,0,1,0,0|2,0,0]=3 6074 B12R1.484 CCOCCC(=O)CCC1CO1 1458a_100000749530_100000732470 [0,0,0,1,0,0|3,0,0]=4 6075 B12R1.484 CCOCCC(=O)NCC1CC1 11a_100000735609_100000749530 [0,0,0,1,0,0|2,0,0]=3 6076 B12R1.484 CCOCCC(=O)NCC1CC1 1626a_100000735609_100000749530 [0,0,0,1,0,0|2,0,0]=3 6077 B12R1.484 CCOCCC(=O)NCC1CC1 240690a_100000735609_100000749530 [0,0,0,1,0,0|2,0,0]=3 6078 B12R1.484 CCOCCC(=O)NCC1CC1 527a_100000735609_100000749530 [0,0,0,1,0,0|2,0,0]=3 6079 B12R1.484 CCOCCC(=O)NNC1CC1 22a_100000701032_100000749530 [0,0,0,1,0,0|3,0,0]=4 6080 B12R1.484 CCSCCC(=O)C=CC1CC1 1458a_100102529529_100000757381 [0,0,0,1,0,0|2,0,1]=4 6081 B12R1.484 CCSCCC(=O)CCC1CC1 1458a_100000230768_100000694398 [0,0,0,1,0,0|2,0,0]=3 6082 B12R1.484 CCSCCC(=O)CCC1CC1 1458a_100000756386_100000757381 [0,0,0,1,0,0|2,0,0]=3 6083 B12R1.484 CCSCCC(=O)CCC1CO1 1458a_100000230768_100000732470 [0,0,0,1,0,0|3,0,0]=4 6084 B12R1.484 CCSCCC(=O)NCC1CC1 11a_100000735609_100000230768 [0,0,0,1,0,0|2,0,0]=3 6085 B12R1.484 CCSCCC(=O)NCC1CC1 1626a_100000735609_100000230768 [0,0,0,1,0,0|2,0,0]=3 6086 B12R1.484 CCSCCC(=O)NCC1CC1 240690a_100000735609_100000230768 [0,0,0,1,0,0|2,0,0]=3 6087 B12R1.484 CCSCCC(=O)NCC1CC1 527a_100000735609_100000230768 [0,0,0,1,0,0|2,0,0]=3 6088 B12R1.484 CCSCCC(=O)NNC1CC1 22a_100000701032_100000230768 [0,0,0,1,0,0|3,0,0]=4 6089 B12R1.484 COCC=CC(=O)CCC1CC1 1458a_100016285016_100000694398 [0,0,0,1,0,0|2,0,1]=4 6090 B12R1.484 COCCCC(=O)C=CC1CC1 1458a_100102529529_100000740836 [0,0,0,1,0,0|2,0,1]=4 6091 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000741012_100000694398 [0,0,0,1,0,0|2,0,0]=3 6092 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000756386_100000740836 [0,0,0,1,0,0|2,0,0]=3 6093 B12R1.484 COCCCC(=O)CCC1CO1 1458a_100000741012_100000732470 [0,0,0,1,0,0|3,0,0]=4 6094 B12R1.484 COCCCC(=O)NCC1CC1 11a_100000735609_100000741012 [0,0,0,1,0,0|2,0,0]=3 6095 B12R1.484 COCCCC(=O)NCC1CC1 1626a_100000735609_100000741012 [0,0,0,1,0,0|2,0,0]=3 6096 B12R1.484 COCCCC(=O)NCC1CC1 240690a_100000735609_100000741012 [0,0,0,1,0,0|2,0,0]=3 6097 B12R1.484 COCCCC(=O)NCC1CC1 527a_100000735609_100000741012 [0,0,0,1,0,0|2,0,0]=3 6098 B12R1.484 COCCCC(=O)NNC1CC1 22a_100000701032_100000741012 [0,0,0,1,0,0|3,0,0]=4 6099 B12R1.484 COCCCC(C)OCC1CC1 34a_200011539412_100000742324 [0,0,0,1,0,0|2,0,1]=4 6100 B12R1.484 COCCCC(C)OCC1CC1 7a_200011539412_100000742324 [0,0,0,1,0,0|2,0,1]=4 6101 B12R1.484 COCCNC(=O)CCC1CC1 1626a_100000209980_100000756386 [0,0,0,1,0,0|2,0,0]=3 6102 B12R1.484 COCCNC(=O)CCC1CC1 240690a_100000209980_100000756386 [0,0,0,1,0,0|2,0,0]=3 6103 B12R1.484 COCCNC(=O)CCC1CC1 527a_100000209980_100000756386 [0,0,0,1,0,0|2,0,0]=3 6104 B12R1.484 COCCNC(=O)CNC1CC1 34a_100000212008_100000183275 [0,0,0,1,0,0|3,0,0]=4 6105 B12R1.484 COCCNC(=O)CSC1CC1 62a_100000183275_100000211595 [0,0,0,1,0,0|3,0,0]=4 6106 B12R1.484 COCCNC(=O)NCC1CC1 2708a_100000735609_100000209980 [0,0,0,1,0,0|3,0,0]=4 6107 B12R1.484 COCCNC(=O)NCC1CC1 273464a_100000209980_100000735609 [0,0,0,1,0,0|3,0,0]=4 6108 B12R1.484 COCCNC(=O)NCC1CC1 273464a_100000735609_100000209980 [0,0,0,1,0,0|3,0,0]=4 6109 B12R1.484 COCCOC(=O)CNC1CC1 34a_100000212008_200000040189 [0,0,0,1,0,0|2,0,0]=3 6110 B12R1.484 COCCOC(=O)CSC1CC1 62a_200000040189_100000211595 [0,0,0,1,0,0|2,0,0]=3 6111 B12R1.484 CSCCCC(=O)CCC1CC1 1458a_100000173376_100000694398 [0,0,0,1,0,0|2,0,0]=3 6112 B12R1.484 CSCCCC(=O)CCC1CO1 1458a_100000173376_100000732470 [0,0,0,1,0,0|3,0,0]=4 6113 B12R1.484 CSCCCC(=O)NCC1CC1 11a_100000735609_100000173376 [0,0,0,1,0,0|2,0,0]=3 6114 B12R1.484 CSCCCC(=O)NCC1CC1 1626a_100000735609_100000173376 [0,0,0,1,0,0|2,0,0]=3 6115 B12R1.484 CSCCCC(=O)NCC1CC1 240690a_100000735609_100000173376 [0,0,0,1,0,0|2,0,0]=3 6116 B12R1.484 CSCCCC(=O)NCC1CC1 527a_100000735609_100000173376 [0,0,0,1,0,0|2,0,0]=3 6117 B12R1.484 CSCCCC(=O)NNC1CC1 22a_100000701032_100000173376 [0,0,0,1,0,0|3,0,0]=4 6118 B12R1.484 CSCCNC(=O)CCC1CC1 11a_100020590264_100000756386 [0,0,0,1,0,0|2,0,0]=3 6119 B12R1.484 CSCCNC(=O)CCC1CC1 1626a_100020590264_100000756386 [0,0,0,1,0,0|2,0,0]=3 6120 B12R1.484 CSCCNC(=O)CCC1CC1 240690a_100020590264_100000756386 [0,0,0,1,0,0|2,0,0]=3 6121 B12R1.484 CSCCNC(=O)CCC1CC1 527a_100020590264_100000756386 [0,0,0,1,0,0|2,0,0]=3 6122 B12R1.484 CSCCNC(=O)NCC1CC1 2708a_100000735609_100020590264 [0,0,0,1,0,0|3,0,0]=4 6123 B12R1.484 CSCCNC(=O)NCC1CC1 2708a_100020590264_100000735609 [0,0,0,1,0,0|3,0,0]=4 6124 B12R1.484 CSCCNC(=O)NCC1CC1 273464a_100000735609_100020590264 [0,0,0,1,0,0|3,0,0]=4 6125 B12R1.484 CSCCNC(=O)NCC1CC1 273464a_100020590264_100000735609 [0,0,0,1,0,0|3,0,0]=4 6126 B12R1.484 CSCCNC(=O)NCC1CC1 512a_100000735609_100020590264 [0,0,0,1,0,0|3,0,0]=4 6127 B12R1.484 CSCCNC(=O)NCC1CC1 512a_100020590264_100000735609 [0,0,0,1,0,0|3,0,0]=4 6128 B12R1.484 N#CCCCC(=O)CCC1CC1 1458a_100000075515_100000694398 [0,0,0,1,0,0|2,0,1]=4 6129 B12R1.484 N#CCCCC(=O)CCC1CC1 1458a_100000756386_100000211468 [0,0,0,1,0,0|2,0,1]=4 6130 B12R1.484 N#CCCCC(=O)NCC1CC1 11a_100000735609_100000075515 [0,0,0,1,0,0|2,0,1]=4 6131 B12R1.484 N#CCCCC(=O)NCC1CC1 1626a_100000735609_100000075515 [0,0,0,1,0,0|2,0,1]=4 6132 B12R1.484 N#CCCCC(=O)NCC1CC1 240690a_100000735609_100000075515 [0,0,0,1,0,0|2,0,1]=4 6133 B12R1.484 N#CCCCC(=O)NCC1CC1 527a_100000735609_100000075515 [0,0,0,1,0,0|2,0,1]=4 6134 B12R1.484 N#CCCNC(=O)CCC1CC1 11a_100000720768_100000756386 [0,0,0,1,0,0|2,0,1]=4 6135 B12R1.484 N#CCCNC(=O)CCC1CC1 1626a_100000720768_100000756386 [0,0,0,1,0,0|2,0,1]=4 6136 B12R1.484 N#CCCNC(=O)CCC1CC1 240690a_100000720768_100000756386 [0,0,0,1,0,0|2,0,1]=4 6137 B12R1.484 N#CCCNC(=O)CCC1CC1 527a_100000720768_100000756386 [0,0,0,1,0,0|2,0,1]=4 6138 B12R1.484 O=C(C=CC1CC1)CCCCF 1458a_100102529529_100000729493 [0,0,0,1,0,0|2,0,1]=4 6139 B12R1.484 O=C(C=CC1CC1)CCCCO 1458a_100102529529_100000210776 [0,0,0,1,0,0|2,0,1]=4 6140 B12R1.484 O=C(CCC1CC1)COCCO 1458a_100000708028_100000694398 [0,0,0,1,0,0|3,0,0]=4 6141 B12R1.484 O=C(CCC1CC1)NCCCF 11a_100015189416_100000756386 [0,0,0,1,0,0|2,0,0]=3 6142 B12R1.484 O=C(CCC1CC1)NCCCF 1626a_100015189416_100000756386 [0,0,0,1,0,0|2,0,0]=3 6143 B12R1.484 O=C(CCC1CC1)NCCCF 240690a_100015189416_100000756386 [0,0,0,1,0,0|2,0,0]=3 6144 B12R1.484 O=C(CCC1CC1)NCCCF 527a_100015189416_100000756386 [0,0,0,1,0,0|2,0,0]=3 6145 B12R1.484 O=C(CCC1CC1)NCCCO 240690a_100000182051_100000756386 [0,0,0,1,0,0|2,0,0]=3 6146 B12R1.484 O=C(CCC1CC1)NCCCO 527a_100000182051_100000756386 [0,0,0,1,0,0|2,0,0]=3 6147 B12R1.484 O=C(CCC1CC1)NNCCO 22a_100000210001_100000756386 [0,0,0,1,0,0|3,0,0]=4 6148 B12R1.484 O=C(CCCCF)CCC1CC1 1458a_100000756386_100000729493 [0,0,0,1,0,0|2,0,0]=3 6149 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000695505_100000694398 [0,0,0,1,0,0|2,0,0]=3 6150 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000756386_100000210776 [0,0,0,1,0,0|2,0,0]=3 6151 B12R1.484 O=C(CCCCO)CCC1CO1 1458a_100000695505_100000732470 [0,0,0,1,0,0|3,0,0]=4 6152 B12R1.484 O=C(CCCCO)NCC1CC1 1626a_100000735609_100000695505 [0,0,0,1,0,0|2,0,0]=3 6153 B12R1.484 O=C(COCCO)NCC1CC1 1626a_100000735609_100000708028 [0,0,0,1,0,0|3,0,0]=4 6154 B12R1.484 O=C(COCCO)NCC1CC1 240690a_100000735609_100000708028 [0,0,0,1,0,0|3,0,0]=4 6155 B12R1.484 O=C(NCCCF)NCC1CC1 2708a_100000735609_100015189416 [0,0,0,1,0,0|3,0,0]=4 6156 B12R1.484 O=C(NCCCF)NCC1CC1 2708a_100015189416_100000735609 [0,0,0,1,0,0|3,0,0]=4 6157 B12R1.484 O=C(NCCCF)NCC1CC1 273464a_100000735609_100015189416 [0,0,0,1,0,0|3,0,0]=4 6158 B12R1.484 O=C(NCCCF)NCC1CC1 273464a_100015189416_100000735609 [0,0,0,1,0,0|3,0,0]=4 6159 B12R1.484 O=C(NCCCF)NCC1CC1 512a_100000735609_100015189416 [0,0,0,1,0,0|3,0,0]=4 6160 B12R1.484 O=C(NCCCF)NCC1CC1 512a_100015189416_100000735609 [0,0,0,1,0,0|3,0,0]=4 6161 B12R1.484 O=C(NCCCO)NCC1CC1 2708a_100000735609_100000182051 [0,0,0,1,0,0|3,0,0]=4 6162 B12R1.484 O=C(NCCCO)NCC1CC1 273464a_100000182051_100000735609 [0,0,0,1,0,0|3,0,0]=4 6163 B12R1.484 O=C(NCCCO)NCC1CC1 273464a_100000735609_100000182051 [0,0,0,1,0,0|3,0,0]=4 6164 B12R1.484 O=C(NCCCO)NCC1CC1 512a_100000735609_100000182051 [0,0,0,1,0,0|3,0,0]=4 6165 B12R1.485 C#CCCCC(=O)N1CCC1C 11a_100000755817_100000690238 [0,0,0,1,0,0|1,0,2]=4 6166 B12R1.485 C#CCCCC(=O)N1CCC1C 240690a_100000755817_100000690238 [0,0,0,1,0,0|1,0,2]=4 6167 B12R1.485 C#CCCCC(=O)N1CCC1C 527a_100000755817_100000690238 [0,0,0,1,0,0|1,0,2]=4 6168 B12R1.485 C=CCCCC(=O)N1CCC1C 11a_100000755817_100000766728 [0,0,0,1,0,0|1,0,2]=4 6169 B12R1.485 C=CCCCC(=O)N1CCC1C 240690a_100000755817_100000766728 [0,0,0,1,0,0|1,0,2]=4 6170 B12R1.485 C=CCCCC(=O)N1CCC1C 527a_100000755817_100000766728 [0,0,0,1,0,0|1,0,2]=4 6171 B12R1.485 CC/C=C/CC(=O)N1CCC1C 11a_100000755817_100016274230 [0,0,0,1,0,0|1,0,2]=4 6172 B12R1.485 CC/C=C/CC(=O)N1CCC1C 240690a_100000755817_100016274230 [0,0,0,1,0,0|1,0,2]=4 6173 B12R1.485 CC/C=C/CC(=O)N1CCC1C 527a_100000755817_100016274230 [0,0,0,1,0,0|1,0,2]=4 6174 B12R1.485 CC1CCN1C(=O)CCCC#N 11a_100000755817_100000075515 [0,0,0,1,0,0|2,0,1]=4 6175 B12R1.485 CC1CCN1C(=O)CCCC#N 240690a_100000755817_100000075515 [0,0,0,1,0,0|2,0,1]=4 6176 B12R1.485 CC1CCN1C(=O)CCCC#N 527a_100000755817_100000075515 [0,0,0,1,0,0|2,0,1]=4 6177 B12R1.485 CC1CCN1C(=O)COCCO 240690a_100000755817_100000708028 [0,0,0,1,0,0|3,0,0]=4 6178 B12R1.485 CC1CCN1C(=O)NCCCF 2708a_100015189416_100000755817 [0,0,0,1,0,0|3,0,0]=4 6179 B12R1.485 CC1CCN1C(=O)NCCCF 273464a_100015189416_100000755817 [0,0,0,1,0,0|3,0,0]=4 6180 B12R1.485 CC1CCN1C(=O)NCCCO 273464a_100000182051_100000755817 [0,0,0,1,0,0|3,0,0]=4 6181 B12R1.485 CCCC#CC(=O)N1CCC1C 240690a_100000755817_200011218047 [0,0,0,1,0,0|1,0,2]=4 6182 B12R1.485 CCCC=CC(=O)N1CCC1C 11a_100000755817_100000212230 [0,0,0,1,0,0|1,0,2]=4 6183 B12R1.485 CCCC=CC(=O)N1CCC1C 240690a_100000755817_100000212230 [0,0,0,1,0,0|1,0,2]=4 6184 B12R1.485 CCCCCC(=O)C1CCC1=O 1458a_100000212188_100009892977 [0,0,0,1,0,0|2,0,1]=4 6185 B12R1.485 CCCCCC(=O)N1CCC1C 11a_100000755817_100000212188 [0,0,0,1,0,0|1,0,0]=2 6186 B12R1.485 CCCCCC(=O)N1CCC1C 240690a_100000755817_100000212188 [0,0,0,1,0,0|1,0,0]=2 6187 B12R1.485 CCCCCC(=O)N1CCC1C 527a_100000755817_100000212188 [0,0,0,1,0,0|1,0,0]=2 6188 B12R1.485 CCCCCC(C)N1CCC1C 269982a_100000755817_200011218191 [0,0,0,1,0,0|2,0,1]=4 6189 B12R1.485 CCCCCC(C)N1CCC1C 34a_100000755817_200011218191 [0,0,0,1,0,0|2,0,1]=4 6190 B12R1.485 CCCCNC(=O)N1CCC1C 2708a_100000102301_100000755817 [0,0,0,1,0,0|2,0,0]=3 6191 B12R1.485 CCCCNC(=O)N1CCC1C 273464a_100000102301_100000755817 [0,0,0,1,0,0|2,0,0]=3 6192 B12R1.485 CCCOCC(=O)N1CCC1C 11a_100000755817_100000745993 [0,0,0,1,0,0|2,0,0]=3 6193 B12R1.485 CCCOCC(=O)N1CCC1C 240690a_100000755817_100000745993 [0,0,0,1,0,0|2,0,0]=3 6194 B12R1.485 CCCOCC(=O)N1CCC1C 527a_100000755817_100000745993 [0,0,0,1,0,0|2,0,0]=3 6195 B12R1.485 CCCSCC(=O)N1CCC1C 11a_100000755817_100000217233 [0,0,0,1,0,0|2,0,0]=3 6196 B12R1.485 CCCSCC(=O)N1CCC1C 240690a_100000755817_100000217233 [0,0,0,1,0,0|2,0,0]=3 6197 B12R1.485 CCCSCC(=O)N1CCC1C 527a_100000755817_100000217233 [0,0,0,1,0,0|2,0,0]=3 6198 B12R1.485 CCOCCC(=O)N1CCC1C 11a_100000755817_100000749530 [0,0,0,1,0,0|2,0,0]=3 6199 B12R1.485 CCOCCC(=O)N1CCC1C 240690a_100000755817_100000749530 [0,0,0,1,0,0|2,0,0]=3 6200 B12R1.485 CCOCCC(=O)N1CCC1C 527a_100000755817_100000749530 [0,0,0,1,0,0|2,0,0]=3 6201 B12R1.485 CCSCCC(=O)N1CCC1C 11a_100000755817_100000230768 [0,0,0,1,0,0|2,0,0]=3 6202 B12R1.485 CCSCCC(=O)N1CCC1C 240690a_100000755817_100000230768 [0,0,0,1,0,0|2,0,0]=3 6203 B12R1.485 CCSCCC(=O)N1CCC1C 527a_100000755817_100000230768 [0,0,0,1,0,0|2,0,0]=3 6204 B12R1.485 COCCCC(=O)N1CCC1C 11a_100000755817_100000741012 [0,0,0,1,0,0|2,0,0]=3 6205 B12R1.485 COCCCC(=O)N1CCC1C 240690a_100000755817_100000741012 [0,0,0,1,0,0|2,0,0]=3 6206 B12R1.485 COCCCC(=O)N1CCC1C 527a_100000755817_100000741012 [0,0,0,1,0,0|2,0,0]=3 6207 B12R1.485 COCCNC(=O)N1CCC1C 273464a_100000209980_100000755817 [0,0,0,1,0,0|3,0,0]=4 6208 B12R1.485 CSCCCC(=O)N1CCC1C 11a_100000755817_100000173376 [0,0,0,1,0,0|2,0,0]=3 6209 B12R1.485 CSCCCC(=O)N1CCC1C 240690a_100000755817_100000173376 [0,0,0,1,0,0|2,0,0]=3 6210 B12R1.485 CSCCCC(=O)N1CCC1C 527a_100000755817_100000173376 [0,0,0,1,0,0|2,0,0]=3 6211 B12R1.485 CSCCNC(=O)N1CCC1C 2708a_100020590264_100000755817 [0,0,0,1,0,0|3,0,0]=4 6212 B12R1.485 CSCCNC(=O)N1CCC1C 273464a_100020590264_100000755817 [0,0,0,1,0,0|3,0,0]=4 6213 B12R1.1414 BrCCCOC1CCCCCC1 34a_100011217188_100011217769 [0,0,0,1,0,0|2,0,1]=4 6214 B12R1.1414 CCCCCN1CCCCCC1 2230a_100000185865_100000210326 [0,0,0,1,0,0|3,0,0]=4 6215 B12R1.1414 CCCCCN1CCCCCC1 269982a_100000185865_100000210215 [0,0,0,1,0,0|3,0,0]=4 6216 B12R1.1414 CCCCCN1CCCCCC1 34a_100000185865_100000718602 [0,0,0,1,0,0|3,0,0]=4 6217 B12R1.1414 CCCCNC1CCCCCC1 2230a_100000210984_100000210211 [0,0,0,1,0,0|2,0,1]=4 6218 B12R1.1414 CCCCNC1CCCCCC1 270004a_100000102301_100000210131 [0,0,0,1,0,0|2,0,1]=4 6219 B12R1.1414 CCCCNC1CCCCCC1 34a_100000210984_100000210210 [0,0,0,1,0,0|2,0,1]=4 6220 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210227_100011217769 [0,0,0,1,0,0|1,0,1]=3 6221 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210887_100000210210 [0,0,0,1,0,0|1,0,1]=3 6222 B12R1.1414 CCCCOC1CCCCCC1 7a_100000210887_100000210211 [0,0,0,1,0,0|1,0,1]=3 6223 B12R1.1414 CCCCSC1CCCCCC1 62a_100000210211_100011217769 [0,0,0,1,0,0|1,1,1]=4 6224 B12R1.1414 CCCCSC1CCCCCC1 62a_100011217769_100000210210 [0,0,0,1,0,0|1,1,1]=4 6225 B12R1.1414 CCCNN=C1CCCCCC1 4a_100000740057_100000210131 [0,0,0,1,0,0|3,0,0]=4 6226 B12R1.1414 COCCOC1CCCCCC1 34a_100000210237_100011217769 [0,0,0,1,0,0|2,0,1]=4 6227 B12R1.1414 COCCOC1CCCCCC1 34a_100000210887_100011201679 [0,0,0,1,0,0|2,0,1]=4 6228 B12R1.1414 COCCOC1CCCCCC1 7a_100000210887_100000233755 [0,0,0,1,0,0|2,0,1]=4 6229 B12R1.1414 CSCCOC1CCCCCC1 34a_100000210887_100000212216 [0,0,0,1,0,0|2,0,1]=4 6230 B12R1.1414 CSCCOC1CCCCCC1 34a_100000230434_100011217769 [0,0,0,1,0,0|2,0,1]=4 6231 B12R1.1414 CSCCOC1CCCCCC1 7a_100000210887_100000212216 [0,0,0,1,0,0|2,0,1]=4 6232 B12R1.1414 ClCCCOC1CCCCCC1 34a_100000230001_100011217769 [0,0,0,1,0,0|2,0,1]=4 6233 B12R1.1414 FCCCOC1CCCCCC1 34a_100000210887_100011934791 [0,0,0,1,0,0|2,0,1]=4 6234 B12R1.1414 FCCCOC1CCCCCC1 34a_100000759539_100011217769 [0,0,0,1,0,0|2,0,1]=4 6235 B12R1.1414 FCCCOC1CCCCCC1 7a_100000210887_100011934791 [0,0,0,1,0,0|2,0,1]=4 6236 B12R1.1414 NCCCOC1CCCCCC1 34a_100000182051_100011217769 [0,0,0,1,0,0|2,0,1]=4 6237 B12R1.1414 OCCCOC1CCCCCC1 34a_100000210887_100000230001 [0,0,0,1,0,0|2,0,1]=4 6238 B12R1.1414 OCCCOC1CCCCCC1 7a_100000210887_100011215043 [0,0,0,1,0,0|2,0,1]=4 6239 B12R1.1631 CCCCN1C(CCCC1C)C 2230a_100000210447_100000210211 [0,0,0,1,0,0|2,0,1]=4 6240 B12R1.1631 CCCCN1C(CCCC1C)C 269982a_100000210447_100000210211 [0,0,0,1,0,0|2,0,1]=4 6241 B12R1.1631 CCCCN1C(CCCC1C)C 34a_100000210447_100000210210 [0,0,0,1,0,0|2,0,1]=4 6242 B12R1.1631 CCNCC1C(=CCCC1C)C 270004a_100015525214_100000066159 [0,0,0,1,0,0|3,0,0]=4 6243 B12R1.1997 CC1(CCCCC1)OCCCF 34a_100011215885_100011934791 [0,0,0,1,0,0|2,0,1]=4 6244 B12R1.1997 CC1(CCCCC1)OCCCF 7a_100011215885_100011934791 [0,0,0,1,0,0|2,0,1]=4 6245 B12R1.1997 CC1(CCCCC1)OCCCO 34a_100011215885_100000230001 [0,0,0,1,0,0|2,0,1]=4 6246 B12R1.1997 CC1(CCCCC1)OCCCO 7a_100011215885_100011215043 [0,0,0,1,0,0|2,0,1]=4 6247 B12R1.1997 CCCCNC1(CCCCC1)C 2230a_100000741114_100000210211 [0,0,0,1,0,0|2,0,1]=4 6248 B12R1.1997 CCCCNC1(CCCCC1)C 34a_100000741114_100000210210 [0,0,0,1,0,0|2,0,1]=4 6249 B12R1.1997 CCCCOC1(CCCCC1)C 34a_100011215885_100000210210 [0,0,0,1,0,0|1,0,1]=3 6250 B12R1.1997 CCCCOC1(CCCCC1)C 7a_100011215885_100000210211 [0,0,0,1,0,0|1,0,1]=3 6251 B12R1.1997 CCCCOC1(CCOCC1)C 34a_100011827762_100000210210 [0,0,0,1,0,0|2,0,1]=4 6252 B12R1.1997 CCCCOC1(CCOCC1)C 7a_100011827762_100000210211 [0,0,0,1,0,0|2,0,1]=4 6253 B12R1.1997 CCCCOC1(CCSCC1)C 34a_200011004327_100000210210 [0,0,0,1,0,0|2,0,1]=4 6254 B12R1.1997 CCCCOC1(CCSCC1)C 7a_200011004327_100000210211 [0,0,0,1,0,0|2,0,1]=4 6255 B12R1.1997 COCCOC1(CCCCC1)C 34a_100011215885_100011201679 [0,0,0,1,0,0|2,0,1]=4 6256 B12R1.1997 COCCOC1(CCCCC1)C 7a_100011215885_100000233755 [0,0,0,1,0,0|2,0,1]=4 6257 B12R1.1997 CSCCOC1(CCCCC1)C 34a_100011215885_100000212216 [0,0,0,1,0,0|2,0,1]=4 6258 B12R1.1997 CSCCOC1(CCCCC1)C 7a_100011215885_100000212216 [0,0,0,1,0,0|2,0,1]=4 6259 B12R1.3204 CCCCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000210210 [0,0,0,1,0,0|2,0,1]=4 6260 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [2,0,0,0,0,0|0,0,2]=4 6261 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [2,0,0,0,0,0|0,0,2]=4 6262 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [2,0,0,0,0,0|0,0,2]=4 6263 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [2,0,0,0,0,0|0,0,2]=4 6264 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [2,0,0,0,0,0|0,0,2]=4 6265 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [2,0,0,0,0,0|0,0,2]=4 6266 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [2,0,0,0,0,0|0,0,2]=4 6267 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [2,0,0,0,0,0|0,0,2]=4 6268 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [2,0,0,0,0,0|0,0,2]=4 6269 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [2,0,0,0,0,0|0,0,2]=4 6270 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [2,0,0,0,0,0|0,0,2]=4 6271 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|0,0,2]=4 6272 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|0,0,2]=4 6273 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|0,0,2]=4 6274 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|0,0,2]=4 6275 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|0,0,2]=4 6276 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|0,0,2]=4 6277 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|0,0,2]=4 6278 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [2,0,0,0,0,0|0,0,2]=4 6279 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [2,0,0,0,0,0|0,0,2]=4 6280 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [2,0,0,0,0,0|0,0,2]=4 6281 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [2,0,0,0,0,0|0,0,2]=4 6282 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [2,0,0,0,0,0|0,0,2]=4 6283 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [2,0,0,0,0,0|0,0,2]=4 6284 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [2,0,0,0,0,0|0,0,2]=4 6285 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [2,0,0,0,0,0|0,0,2]=4 6286 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [2,0,0,0,0,0|0,0,2]=4 6287 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [2,0,0,0,0,0|0,0,2]=4 6288 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [2,0,0,0,0,0|0,0,2]=4 6289 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [2,0,0,0,0,0|0,0,2]=4 6290 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [2,0,0,0,0,0|1,0,1]=4 6291 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [2,0,0,0,0,0|1,0,1]=4 6292 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [2,0,0,0,0,0|1,0,1]=4 6293 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [2,0,0,0,0,0|1,0,1]=4 6294 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [2,0,0,0,0,0|1,0,1]=4 6295 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [2,0,0,0,0,0|1,0,1]=4 6296 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [2,0,0,0,0,0|1,0,1]=4 6297 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [2,0,0,0,0,0|1,0,1]=4 6298 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [2,0,0,0,0,0|1,0,1]=4 6299 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [2,0,0,0,0,0|1,0,1]=4 6300 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [2,0,0,0,0,0|1,0,1]=4 6301 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [2,0,0,0,0,0|1,0,1]=4 6302 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [2,0,0,0,0,0|2,0,0]=4 6303 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [2,0,0,0,0,0|2,0,0]=4 6304 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|1,0,1]=4 6305 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|1,0,1]=4 6306 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|1,0,1]=4 6307 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|1,0,1]=4 6308 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|1,0,1]=4 6309 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|1,0,1]=4 6310 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|1,0,1]=4 6311 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|1,0,1]=4 6312 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|1,0,1]=4 6313 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|1,0,1]=4 6314 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|1,0,1]=4 6315 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|1,0,1]=4 6316 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|1,0,1]=4 6317 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|1,0,1]=4 6318 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|1,0,1]=4 6319 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|1,0,1]=4 6320 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [2,0,0,0,0,0|1,0,1]=4 6321 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [2,0,0,0,0,0|1,0,1]=4 6322 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|1,0,1]=4 6323 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|1,0,1]=4 6324 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|1,0,1]=4 6325 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [2,0,0,0,0,0|1,0,1]=4 6326 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [2,0,0,0,0,0|1,0,1]=4 6327 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [2,0,0,0,0,0|1,0,1]=4 6328 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [2,0,0,0,0,0|1,0,1]=4 6329 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|0,0,1]=3 6330 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|0,0,1]=3 6331 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|0,0,1]=3 6332 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [2,0,0,0,0,0|1,0,1]=4 6333 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [2,0,0,0,0,0|1,0,1]=4 6334 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [2,0,0,0,0,0|1,0,1]=4 6335 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 6336 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 6337 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [2,0,0,0,0,0|1,0,1]=4 6338 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [2,0,0,0,0,0|0,1,1]=4 6339 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [2,0,0,0,0,0|0,1,1]=4 6340 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [2,0,0,0,0,0|1,0,0]=3 6341 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [2,0,0,0,0,0|1,0,0]=3 6342 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [2,0,0,0,0,0|1,0,0]=3 6343 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [2,0,0,0,0,0|2,0,0]=4 6344 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [2,0,0,0,0,0|2,0,0]=4 6345 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [2,0,0,0,0,0|2,0,0]=4 6346 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [2,0,0,0,0,0|2,0,0]=4 6347 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [2,0,0,0,0,0|2,0,0]=4 6348 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [2,0,0,0,0,0|2,0,0]=4 6349 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [2,0,0,0,0,0|2,0,0]=4 6350 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [2,0,0,0,0,0|2,0,0]=4 6351 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [2,0,0,0,0,0|2,0,0]=4 6352 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [2,0,0,0,0,0|2,0,0]=4 6353 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [2,0,0,0,0,0|1,0,1]=4 6354 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [2,0,0,0,0,0|1,0,0]=3 6355 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|0,0,0]=2 6356 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|0,0,0]=2 6357 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|0,0,0]=2 6358 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|0,0,0]=2 6359 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [2,0,0,0,0,0|1,0,0]=3 6360 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [2,0,0,0,0,0|1,0,0]=3 6361 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [2,0,0,0,0,0|1,0,0]=3 6362 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [2,0,0,0,0,0|1,0,0]=3 6363 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [2,0,0,0,0,0|1,0,0]=3 6364 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [2,0,0,0,0,0|1,0,0]=3 6365 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [2,0,0,0,0,0|1,0,0]=3 6366 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [2,0,0,0,0,0|1,0,0]=3 6367 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [2,0,0,0,0,0|1,0,0]=3 6368 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [2,0,0,0,0,0|1,0,0]=3 6369 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [2,0,0,0,0,0|1,0,0]=3 6370 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [2,0,0,0,0,0|1,0,0]=3 6371 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [2,0,0,0,0,0|2,0,0]=4 6372 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [2,0,0,0,0,0|1,0,0]=3 6373 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [2,0,0,0,0,0|1,0,0]=3 6374 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [2,0,0,0,0,0|1,0,0]=3 6375 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [2,0,0,0,0,0|1,0,0]=3 6376 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [2,0,0,0,0,0|1,0,0]=3 6377 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [2,0,0,0,0,0|1,0,0]=3 6378 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [2,0,0,0,0,0|0,1,0]=3 6379 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [2,0,0,0,0,0|0,1,0]=3 6380 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [2,0,0,0,0,0|1,1,0]=4 6381 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [2,0,0,0,0,0|1,1,0]=4 6382 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [2,0,0,0,0,0|1,1,0]=4 6383 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [2,0,0,0,0,0|1,1,0]=4 6384 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [2,0,0,0,0,0|1,1,0]=4 6385 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [2,0,0,0,0,0|1,1,0]=4 6386 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [2,0,0,0,0,0|1,1,0]=4 6387 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [2,0,0,0,0,0|1,1,0]=4 6388 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [2,0,0,0,0,0|1,1,0]=4 6389 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [2,0,0,0,0,0|1,1,0]=4 6390 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [2,0,0,0,0,0|2,0,0]=4 6391 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [2,0,0,0,0,0|2,0,0]=4 6392 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [2,0,0,0,0,0|2,0,0]=4 6393 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [2,0,0,0,0,0|2,0,0]=4 6394 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [2,0,0,0,0,0|2,0,0]=4 6395 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [2,0,0,0,0,0|2,0,0]=4 6396 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [2,0,0,0,0,0|2,0,0]=4 6397 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [2,0,0,0,0,0|2,0,0]=4 6398 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [2,0,0,0,0,0|2,0,0]=4 6399 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [2,0,0,0,0,0|2,0,0]=4 6400 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [2,0,0,0,0,0|2,0,0]=4 6401 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [2,0,0,0,0,0|2,0,0]=4 6402 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [2,0,0,0,0,0|2,0,0]=4 6403 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [2,0,0,0,0,0|2,0,0]=4 6404 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [2,0,0,0,0,0|2,0,0]=4 6405 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [2,0,0,0,0,0|2,0,0]=4 6406 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [2,0,0,0,0,0|2,0,0]=4 6407 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [2,0,0,0,0,0|1,0,1]=4 6408 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|1,0,1]=4 6409 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [2,0,0,0,0,0|1,0,0]=3 6410 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [2,0,0,0,0,0|1,0,0]=3 6411 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [2,0,0,0,0,0|1,0,0]=3 6412 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [2,0,0,0,0,0|1,0,0]=3 6413 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [2,0,0,0,0,0|1,0,0]=3 6414 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [2,0,0,0,0,0|1,0,0]=3 6415 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [2,0,0,0,0,0|1,0,0]=3 6416 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [2,0,0,0,0,0|1,0,0]=3 6417 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [2,0,0,0,0,0|1,0,0]=3 6418 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [2,0,0,0,0,0|1,0,0]=3 6419 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [2,0,0,0,0,0|1,0,0]=3 6420 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [2,0,0,0,0,0|1,0,0]=3 6421 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [2,0,0,0,0,0|1,0,0]=3 6422 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [2,0,0,0,0,0|1,0,0]=3 6423 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [2,0,0,0,0,0|1,0,0]=3 6424 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [2,0,0,0,0,0|1,0,0]=3 6425 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [2,0,0,0,0,0|1,0,0]=3 6426 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [2,0,0,0,0,0|1,0,0]=3 6427 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [2,0,0,0,0,0|1,0,0]=3 6428 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [2,0,0,0,0,0|1,0,0]=3 6429 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [2,0,0,0,0,0|1,0,0]=3 6430 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [2,0,0,0,0,0|1,0,0]=3 6431 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [2,0,0,0,0,0|1,0,0]=3 6432 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [2,0,0,0,0,0|1,0,0]=3 6433 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [2,0,0,0,0,0|1,0,0]=3 6434 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [2,0,0,0,0,0|1,0,0]=3 6435 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [2,0,0,0,0,0|1,0,0]=3 6436 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [2,0,0,0,0,0|1,0,0]=3 6437 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [2,0,0,0,0,0|1,0,0]=3 6438 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [2,0,0,0,0,0|1,0,0]=3 6439 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [2,0,0,0,0,0|1,0,0]=3 6440 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [2,0,0,0,0,0|1,0,0]=3 6441 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [2,0,0,0,0,0|1,0,0]=3 6442 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [2,0,0,0,0,0|2,0,0]=4 6443 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [2,0,0,0,0,0|2,0,0]=4 6444 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [2,0,0,0,0,0|1,0,0]=3 6445 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [2,0,0,0,0,0|1,0,0]=3 6446 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [2,0,0,0,0,0|1,0,0]=3 6447 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [2,0,0,0,0,0|1,0,0]=3 6448 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [2,0,0,0,0,0|1,0,0]=3 6449 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [2,0,0,0,0,0|1,0,0]=3 6450 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [2,0,0,0,0,0|2,0,0]=4 6451 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [2,0,0,0,0,0|2,0,0]=4 6452 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [2,0,0,0,0,0|2,0,0]=4 6453 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [2,0,0,0,0,0|2,0,0]=4 6454 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [2,0,0,0,0,0|2,0,0]=4 6455 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [2,0,0,0,0,0|2,0,0]=4 6456 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [2,0,0,0,0,0|1,0,0]=3 6457 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [2,0,0,0,0,0|2,0,0]=4 6458 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [2,0,0,0,0,0|1,0,0]=3 6459 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [2,0,0,0,0,0|1,0,0]=3 6460 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [2,0,0,0,0,0|2,0,0]=4 6461 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [2,0,0,0,0,0|2,0,0]=4 6462 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [2,0,0,0,0,0|2,0,0]=4 6463 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [2,0,0,0,0,0|2,0,0]=4 6464 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [2,0,0,0,0,0|2,0,0]=4 6465 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [2,0,0,0,0,0|2,0,0]=4 6466 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [2,0,0,0,0,0|2,0,0]=4 6467 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [2,0,0,0,0,0|2,0,0]=4 6468 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [2,0,0,0,0,0|1,1,0]=4 6469 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [2,0,0,0,0,0|1,1,0]=4 6470 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [2,0,0,0,0,0|1,1,0]=4 6471 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [2,0,0,0,0,0|1,1,0]=4 6472 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [2,0,0,0,0,0|1,1,0]=4 6473 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [2,0,0,0,0,0|1,1,0]=4 6474 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [2,0,0,0,0,0|1,1,0]=4 6475 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [2,0,0,0,0,0|1,1,0]=4 6476 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [2,0,0,0,0,0|1,1,0]=4 6477 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [2,0,0,0,0,0|1,1,0]=4 6478 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [2,0,0,0,0,0|1,1,0]=4 6479 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [2,0,0,0,0,0|1,1,0]=4 6480 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [2,0,0,0,0,0|1,1,0]=4 6481 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [2,0,0,0,0,0|1,0,1]=4 6482 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [2,0,0,0,0,0|1,0,1]=4 6483 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [2,0,0,0,0,0|1,0,1]=4 6484 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [2,0,0,0,0,0|1,0,1]=4 6485 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [2,0,0,0,0,0|1,0,1]=4 6486 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [2,0,0,0,0,0|1,0,1]=4 6487 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [2,0,0,0,0,0|1,0,1]=4 6488 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [2,0,0,0,0,0|1,0,1]=4 6489 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [2,0,0,0,0,0|1,0,1]=4 6490 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [2,0,0,0,0,0|1,0,1]=4 6491 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [2,0,0,0,0,0|1,0,1]=4 6492 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [2,0,0,0,0,0|1,0,1]=4 6493 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [2,0,0,0,0,0|1,0,1]=4 6494 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [2,0,0,0,0,0|1,0,1]=4 6495 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [2,0,0,0,0,0|1,0,1]=4 6496 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [2,0,0,0,0,0|1,0,1]=4 6497 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [2,0,0,0,0,0|1,0,1]=4 6498 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [2,0,0,0,0,0|1,0,1]=4 6499 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [2,0,0,0,0,0|1,0,1]=4 6500 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [2,0,0,0,0,0|1,0,1]=4 6501 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [2,0,0,0,0,0|1,0,1]=4 6502 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [2,0,0,0,0,0|1,0,1]=4 6503 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [2,0,0,0,0,0|1,0,1]=4 6504 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [2,0,0,0,0,0|1,0,1]=4 6505 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [2,0,0,0,0,0|1,0,1]=4 6506 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [2,0,0,0,0,0|1,0,1]=4 6507 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [2,0,0,0,0,0|1,0,1]=4 6508 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [2,0,0,0,0,0|1,0,1]=4 6509 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [2,0,0,0,0,0|1,0,1]=4 6510 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [2,0,0,0,0,0|2,0,0]=4 6511 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [2,0,0,0,0,0|2,0,0]=4 6512 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [2,0,0,0,0,0|2,0,0]=4 6513 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [2,0,0,0,0,0|2,0,0]=4 6514 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [2,0,0,0,0,0|2,0,0]=4 6515 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [2,0,0,0,0,0|2,0,0]=4 6516 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [2,0,0,0,0,0|2,0,0]=4 6517 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [2,0,0,0,0,0|2,0,0]=4 6518 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [2,0,0,0,0,0|2,0,0]=4 6519 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [2,0,0,0,0,0|2,0,0]=4 6520 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [2,0,0,0,0,0|2,0,0]=4 6521 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [2,0,0,0,0,0|2,0,0]=4 6522 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [2,0,0,0,0,0|2,0,0]=4 6523 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [2,0,0,0,0,0|2,0,0]=4 6524 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [2,0,0,0,0,0|2,0,0]=4 6525 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [2,0,0,0,0,0|2,0,0]=4 6526 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [2,0,0,0,0,0|2,0,0]=4 6527 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [2,0,0,0,0,0|2,0,0]=4 6528 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [2,0,0,0,0,0|2,0,0]=4 6529 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [2,0,0,0,0,0|2,0,0]=4 6530 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [2,0,0,0,0,0|2,0,0]=4 6531 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [2,0,0,0,0,0|2,0,0]=4 6532 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [2,0,0,0,0,0|2,0,0]=4 6533 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [2,0,0,0,0,0|2,0,0]=4 6534 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [2,0,0,0,0,0|2,0,0]=4 6535 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [2,0,0,0,0,0|2,0,0]=4 6536 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [2,0,0,0,0,0|2,0,0]=4 6537 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [2,0,0,0,0,0|2,0,0]=4 6538 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [2,0,0,0,0,0|2,0,0]=4 6539 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [2,0,0,0,0,0|2,0,0]=4 6540 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [2,0,0,0,0,0|2,0,0]=4 6541 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [2,0,0,0,0,0|2,0,0]=4 6542 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [2,0,0,0,0,0|2,0,0]=4 6543 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [2,0,0,0,0,0|2,0,0]=4 6544 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [2,0,0,0,0,0|2,0,0]=4 6545 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [2,0,0,0,0,0|2,0,0]=4 6546 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [2,0,0,0,0,0|2,0,0]=4 6547 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [2,0,0,0,0,0|2,0,0]=4 6548 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [2,0,0,0,0,0|2,0,0]=4 6549 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [2,0,0,0,0,0|2,0,0]=4 6550 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [2,0,0,0,0,0|2,0,0]=4 6551 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [2,0,0,0,0,0|2,0,0]=4 6552 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [2,0,0,0,0,0|2,0,0]=4 6553 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [2,0,0,0,0,0|2,0,0]=4 6554 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [2,0,0,0,0,0|2,0,0]=4 6555 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [2,0,0,0,0,0|2,0,0]=4 6556 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [2,0,0,0,0,0|2,0,0]=4 6557 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [2,0,0,0,0,0|2,0,0]=4 6558 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [2,0,0,0,0,0|2,0,0]=4 6559 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [2,0,0,0,0,0|2,0,0]=4 6560 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [2,0,0,0,0,0|2,0,0]=4 6561 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [2,0,0,0,0,0|2,0,0]=4 6562 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [2,0,0,0,0,0|2,0,0]=4 6563 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [2,0,0,0,0,0|2,0,0]=4 6564 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [2,0,0,0,0,0|2,0,0]=4 6565 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [2,0,0,0,0,0|2,0,0]=4 6566 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [2,0,0,0,0,0|2,0,0]=4 6567 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [2,0,0,0,0,0|2,0,0]=4 6568 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 6569 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [2,0,0,0,0,0|2,0,0]=4 6570 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 6571 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [2,0,0,0,0,0|2,0,0]=4 6572 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [2,0,0,0,0,0|2,0,0]=4 6573 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [2,0,0,0,0,0|2,0,0]=4 6574 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [2,0,0,0,0,0|2,0,0]=4 6575 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [2,0,0,0,0,0|2,0,0]=4 6576 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [2,0,0,0,0,0|2,0,0]=4 6577 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [2,0,0,0,0,0|2,0,0]=4 6578 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [2,0,0,0,0,0|2,0,0]=4 6579 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [2,0,0,0,0,0|2,0,0]=4 6580 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [2,0,0,0,0,0|2,0,0]=4 6581 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [2,0,0,0,0,0|2,0,0]=4 6582 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [2,0,0,0,0,0|2,0,0]=4 6583 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 6584 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [2,0,0,0,0,0|2,0,0]=4 6585 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [2,0,0,0,0,0|2,0,0]=4 6586 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [2,0,0,0,0,0|2,0,0]=4 6587 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [2,0,0,0,0,0|2,0,0]=4 6588 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [2,0,0,0,0,0|2,0,0]=4 6589 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [2,0,0,0,0,0|2,0,0]=4 6590 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [2,0,0,0,0,0|2,0,0]=4 6591 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [2,0,0,0,0,0|2,0,0]=4 6592 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [2,0,0,0,0,0|2,0,0]=4 6593 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [2,0,0,0,0,0|2,0,0]=4 6594 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [2,0,0,0,0,0|2,0,0]=4 6595 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [2,0,0,0,0,0|2,0,0]=4 6596 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [2,0,0,0,0,0|2,0,0]=4 6597 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [2,0,0,0,0,0|2,0,0]=4 6598 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 6599 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [2,0,0,0,0,0|2,0,0]=4 6600 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [2,0,0,0,0,0|2,0,0]=4 6601 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [2,0,0,0,0,0|2,0,0]=4 6602 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [2,0,0,0,0,0|2,0,0]=4 6603 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [2,0,0,0,0,0|2,0,0]=4 6604 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [2,0,0,0,0,0|2,0,0]=4 6605 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [2,0,0,0,0,0|2,0,0]=4 6606 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [2,0,0,0,0,0|2,0,0]=4 6607 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [2,0,0,0,0,0|2,0,0]=4 6608 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [2,0,0,0,0,0|2,0,0]=4 6609 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [2,0,0,0,0,0|2,0,0]=4 6610 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [2,0,0,0,0,0|2,0,0]=4 6611 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [2,0,0,0,0,0|2,0,0]=4 6612 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [2,0,0,0,0,0|2,0,0]=4 6613 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [2,0,0,0,0,0|2,0,0]=4 6614 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [2,0,0,0,0,0|2,0,0]=4 6615 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [2,0,0,0,0,0|2,0,0]=4 6616 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [2,0,0,0,0,0|2,0,0]=4 6617 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [2,0,0,0,0,0|2,0,0]=4 6618 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [2,0,0,0,0,0|2,0,0]=4 6619 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [2,0,0,0,0,0|2,0,0]=4 6620 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [2,0,0,0,0,0|2,0,0]=4 6621 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [2,0,0,0,0,0|2,0,0]=4 6622 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [2,0,0,0,0,0|2,0,0]=4 6623 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [2,0,0,0,0,0|2,0,0]=4 6624 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [2,0,0,0,0,0|2,0,0]=4 6625 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [2,0,0,0,0,0|2,0,0]=4 6626 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [2,0,0,0,0,0|2,0,0]=4 6627 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [2,0,0,0,0,0|2,0,0]=4 6628 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [2,0,0,0,0,0|2,0,0]=4 6629 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [2,0,0,0,0,0|2,0,0]=4 6630 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [2,0,0,0,0,0|2,0,0]=4 6631 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [2,0,0,0,0,0|2,0,0]=4 6632 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [2,0,0,0,0,0|2,0,0]=4 6633 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [2,0,0,0,0,0|2,0,0]=4 6634 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [2,0,0,0,0,0|2,0,0]=4 6635 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 6636 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [2,0,0,0,0,0|2,0,0]=4 6637 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [2,0,0,0,0,0|2,0,0]=4 6638 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [2,0,0,0,0,0|2,0,0]=4 6639 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [2,0,0,0,0,0|2,0,0]=4 6640 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [2,0,0,0,0,0|2,0,0]=4 6641 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [2,0,0,0,0,0|2,0,0]=4 6642 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [2,0,0,0,0,0|2,0,0]=4 6643 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [2,0,0,0,0,0|2,0,0]=4 6644 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [2,0,0,0,0,0|2,0,0]=4 6645 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [2,0,0,0,0,0|2,0,0]=4 6646 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [2,0,0,0,0,0|2,0,0]=4 6647 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 6648 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 6649 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 6650 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [2,0,0,0,0,0|0,0,2]=4 6651 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [2,0,0,0,0,0|0,0,2]=4 6652 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [2,0,0,0,0,0|0,0,2]=4 6653 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [2,0,0,0,0,0|0,0,2]=4 6654 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [2,0,0,0,0,0|0,0,2]=4 6655 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [2,0,0,0,0,0|0,0,2]=4 6656 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [2,0,0,0,0,0|0,0,2]=4 6657 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [2,0,0,0,0,0|0,0,2]=4 6658 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [2,0,0,0,0,0|0,0,2]=4 6659 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [2,0,0,0,0,0|0,0,2]=4 6660 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [2,0,0,0,0,0|0,0,2]=4 6661 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [2,0,0,0,0,0|0,0,2]=4 6662 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [2,0,0,0,0,0|0,0,2]=4 6663 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [2,0,0,0,0,0|0,0,2]=4 6664 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [2,0,0,0,0,0|1,0,1]=4 6665 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [2,0,0,0,0,0|1,0,1]=4 6666 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [2,0,0,0,0,0|1,0,0]=3 6667 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [2,0,0,0,0,0|1,0,0]=3 6668 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [2,0,0,0,0,0|1,0,0]=3 6669 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [2,0,0,0,0,0|1,0,0]=3 6670 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [2,0,0,0,0,0|1,0,0]=3 6671 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [2,0,0,0,0,0|1,0,0]=3 6672 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [2,0,0,0,0,0|1,0,0]=3 6673 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [2,0,0,0,0,0|1,0,0]=3 6674 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [2,0,0,0,0,0|1,0,0]=3 6675 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [2,0,0,0,0,0|1,0,0]=3 6676 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [2,0,0,0,0,0|2,0,0]=4 6677 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [2,0,0,0,0,0|2,0,0]=4 6678 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [2,0,0,0,0,0|2,0,0]=4 6679 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [2,0,0,0,0,0|2,0,0]=4 6680 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [2,0,0,0,0,0|2,0,0]=4 6681 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [2,0,0,0,0,0|2,0,0]=4 6682 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [2,0,0,0,0,0|2,0,0]=4 6683 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [2,0,0,0,0,0|2,0,0]=4 6684 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [2,0,0,0,0,0|2,0,0]=4 6685 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [2,0,0,0,0,0|2,0,0]=4 6686 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 6687 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 6688 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 6689 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 6690 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [2,0,0,0,0,0|2,0,0]=4 6691 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [2,0,0,0,0,0|2,0,0]=4 6692 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [2,0,0,0,0,0|2,0,0]=4 6693 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [2,0,0,0,0,0|2,0,0]=4 6694 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [2,0,0,0,0,0|2,0,0]=4 6695 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 6696 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 6697 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 6698 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 6699 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [2,0,0,0,0,0|1,0,0]=3 6700 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [2,0,0,0,0,0|1,0,0]=3 6701 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [2,0,0,0,0,0|1,0,0]=3 6702 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [2,0,0,0,0,0|2,0,0]=4 6703 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [2,0,0,0,0,0|0,0,2]=4 6704 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [2,0,0,0,0,0|1,0,1]=4 6705 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [2,0,0,0,0,0|1,0,1]=4 6706 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [2,0,0,0,0,0|0,0,0]=2 6707 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [2,0,0,0,0,0|0,0,0]=2 6708 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [2,0,0,0,0,0|1,0,0]=3 6709 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [2,0,0,0,0,0|1,0,0]=3 6710 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [2,0,0,0,0,0|1,0,0]=3 6711 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [2,0,0,0,0,0|1,0,0]=3 6712 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [2,0,0,0,0,0|1,0,0]=3 6713 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [2,0,0,0,0,0|1,0,0]=3 6714 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [2,0,0,0,0,0|1,0,0]=3 6715 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [2,0,0,0,0,0|1,0,0]=3 6716 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [2,0,0,0,0,0|1,0,0]=3 6717 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [2,0,0,0,0,0|1,0,0]=3 6718 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [2,0,0,0,0,0|1,0,0]=3 6719 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [2,0,0,0,0,0|1,0,0]=3 6720 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [2,0,0,0,0,0|1,0,0]=3 6721 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 6722 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 6723 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 6724 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [2,0,0,0,0,0|2,0,0]=4 6725 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [2,0,0,0,0,0|1,0,1]=4 6726 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [2,0,0,0,0,0|1,0,1]=4 6727 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [2,0,0,0,0,0|1,0,1]=4 6728 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [2,0,0,0,0,0|2,0,0]=4 6729 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [2,0,0,0,0,0|2,0,0]=4 6730 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [2,0,0,0,0,0|2,0,0]=4 6731 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [2,0,0,0,0,0|2,0,0]=4 6732 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [2,0,0,0,0,0|2,0,0]=4 6733 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [2,0,0,0,0,0|2,0,0]=4 6734 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [2,0,0,0,0,0|2,0,0]=4 6735 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [2,0,0,0,0,0|2,0,0]=4 6736 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 6737 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 6738 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 6739 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 6740 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [2,0,0,0,0,0|2,0,0]=4 6741 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [2,0,0,0,0,0|2,0,0]=4 6742 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [2,0,0,0,0,0|2,0,0]=4 6743 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [2,0,0,0,0,0|2,0,0]=4 6744 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 6745 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 6746 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 6747 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [2,0,0,0,0,0|2,0,0]=4 6748 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 6749 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 6750 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 6751 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 6752 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 6753 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [2,0,0,0,0,0|2,0,0]=4 6754 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [2,0,0,0,0,0|2,0,0]=4 6755 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [2,0,0,0,0,0|2,0,0]=4 6756 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [2,0,0,0,0,0|2,0,0]=4 6757 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 6758 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 6759 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 6760 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 6761 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 6762 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 6763 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [2,0,0,0,0,0|1,0,0]=3 6764 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [2,0,0,0,0,0|1,0,0]=3 6765 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [2,0,0,0,0,0|1,0,0]=3 6766 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [2,0,0,0,0,0|1,0,0]=3 6767 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [2,0,0,0,0,0|1,0,0]=3 6768 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [2,0,0,0,0,0|1,0,0]=3 6769 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [2,0,0,0,0,0|1,0,0]=3 6770 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [2,0,0,0,0,0|1,0,0]=3 6771 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [2,0,0,0,0,0|1,0,1]=4 6772 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [2,0,0,0,0,0|1,0,1]=4 6773 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [2,0,0,0,0,0|1,0,1]=4 6774 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [2,0,0,0,0,0|1,0,1]=4 6775 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [2,0,0,0,0,0|2,0,0]=4 6776 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [2,0,0,0,0,0|2,0,0]=4 6777 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [2,0,0,0,0,0|1,0,0]=3 6778 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [2,0,0,0,0,0|2,0,0]=4 6779 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [2,0,0,0,0,0|2,0,0]=4 6780 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 6781 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 6782 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [2,0,0,0,0,0|2,0,0]=4 6783 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 6784 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [2,0,0,0,0,0|1,0,0]=3 6785 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [2,0,0,0,0,0|1,0,0]=3 6786 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [2,0,0,0,0,0|1,0,0]=3 6787 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [2,0,0,0,0,0|1,0,0]=3 6788 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [2,0,0,0,0,0|2,0,0]=4 6789 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [2,0,0,0,0,0|2,0,0]=4 6790 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 6791 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 6792 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 6793 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [2,0,0,0,0,0|2,0,0]=4 6794 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [2,0,0,0,0,0|2,0,0]=4 6795 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [2,0,0,0,0,0|1,0,0]=3 6796 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [2,0,0,0,0,0|1,0,0]=3 6797 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 6798 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 6799 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 6800 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 6801 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 6802 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 6803 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 6804 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 6805 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 6806 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 6807 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 6808 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 6809 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [2,0,0,0,0,0|2,0,0]=4 6810 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [2,0,0,0,0,0|2,0,0]=4 6811 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [2,0,0,0,0,0|2,0,0]=4 6812 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [2,0,0,0,0,0|2,0,0]=4 6813 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [2,0,0,0,0,0|1,0,0]=3 6814 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [2,0,0,0,0,0|1,0,0]=3 6815 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [2,0,0,0,0,0|1,0,0]=3 6816 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [2,0,0,0,0,0|1,0,0]=3 6817 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [2,0,0,0,0,0|1,0,0]=3 6818 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [2,0,0,0,0,0|1,0,0]=3 6819 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [2,0,0,0,0,0|1,0,0]=3 6820 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [2,0,0,0,0,0|1,0,0]=3 6821 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [2,0,0,0,0,0|1,0,0]=3 6822 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [2,0,0,0,0,0|1,0,0]=3 6823 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [2,0,0,0,0,0|1,0,0]=3 6824 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [2,0,0,0,0,0|1,0,0]=3 6825 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [2,0,0,0,0,0|1,0,0]=3 6826 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [2,0,0,0,0,0|2,0,0]=4 6827 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [2,0,0,0,0,0|2,0,0]=4 6828 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [2,0,0,0,0,0|2,0,0]=4 6829 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [2,0,0,0,0,0|2,0,0]=4 6830 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [2,0,0,0,0,0|2,0,0]=4 6831 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [2,0,0,0,0,0|2,0,0]=4 6832 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [2,0,0,0,0,0|2,0,0]=4 6833 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [2,0,0,0,0,0|2,0,0]=4 6834 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [2,0,0,0,0,0|2,0,0]=4 6835 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [2,0,0,0,0,0|2,0,0]=4 6836 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [2,0,0,0,0,0|2,0,0]=4 6837 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [2,0,0,0,0,0|2,0,0]=4 6838 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [2,0,0,0,0,0|2,0,0]=4 6839 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [2,0,0,0,0,0|2,0,0]=4 6840 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [2,0,0,0,0,0|2,0,0]=4 6841 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [2,0,0,0,0,0|2,0,0]=4 6842 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [2,0,0,0,0,0|2,0,0]=4 6843 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [2,0,0,0,0,0|2,0,0]=4 6844 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [2,0,0,0,0,0|2,0,0]=4 6845 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [2,0,0,0,0,0|2,0,0]=4 6846 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [2,0,0,0,0,0|2,0,0]=4 6847 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [2,0,0,0,0,0|2,0,0]=4 6848 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [2,0,0,0,0,0|2,0,0]=4 6849 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [2,0,0,0,0,0|2,0,0]=4 6850 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [2,0,0,0,0,0|2,0,0]=4 6851 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [2,0,0,0,0,0|2,0,0]=4 6852 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [2,0,0,0,0,0|1,0,0]=3 6853 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [2,0,0,0,0,0|2,0,0]=4 6854 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [2,0,0,0,0,0|2,0,0]=4 6855 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [2,0,0,0,0,0|2,0,0]=4 6856 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [2,0,0,0,0,0|2,0,0]=4 6857 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [2,0,0,0,0,0|2,0,0]=4 6858 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [2,0,0,0,0,0|2,0,0]=4 6859 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [2,0,0,0,0,0|2,0,0]=4 6860 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [2,0,0,0,0,0|2,0,0]=4 6861 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [2,0,0,0,0,0|2,0,0]=4 6862 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [2,0,0,0,0,0|2,0,0]=4 6863 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [2,0,0,0,0,0|2,0,0]=4 6864 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [2,0,0,0,0,0|2,0,0]=4 6865 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [2,0,0,0,0,0|2,0,0]=4 6866 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [2,0,0,0,0,0|2,0,0]=4 6867 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [2,0,0,0,0,0|2,0,0]=4 6868 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [2,0,0,0,0,0|2,0,0]=4 6869 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [2,0,0,0,0,0|2,0,0]=4 6870 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [2,0,0,0,0,0|2,0,0]=4 6871 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [2,0,0,0,0,0|2,0,0]=4 6872 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [2,0,0,0,0,0|2,0,0]=4 6873 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [2,0,0,0,0,0|2,0,0]=4 6874 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [2,0,0,0,0,0|2,0,0]=4 6875 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [2,0,0,0,0,0|2,0,0]=4 6876 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [2,0,0,0,0,0|2,0,0]=4 6877 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [2,0,0,0,0,0|2,0,0]=4 6878 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [2,0,0,0,0,0|2,0,0]=4 6879 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [2,0,0,0,0,0|2,0,0]=4 6880 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [2,0,0,0,0,0|2,0,0]=4 6881 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [2,0,0,0,0,0|0,0,2]=4 6882 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [2,0,0,0,0,0|0,0,2]=4 6883 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [2,0,0,0,0,0|0,0,2]=4 6884 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [2,0,0,0,0,0|0,0,2]=4 6885 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [2,0,0,0,0,0|0,0,2]=4 6886 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [2,0,0,0,0,0|0,0,2]=4 6887 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [2,0,0,0,0,0|0,0,2]=4 6888 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [2,0,0,0,0,0|0,0,2]=4 6889 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [2,0,0,0,0,0|0,0,2]=4 6890 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [2,0,0,0,0,0|0,0,2]=4 6891 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [2,0,0,0,0,0|1,0,1]=4 6892 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [2,0,0,0,0,0|1,0,1]=4 6893 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [2,0,0,0,0,0|0,0,0]=2 6894 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [2,0,0,0,0,0|1,0,0]=3 6895 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [2,0,0,0,0,0|1,0,0]=3 6896 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [2,0,0,0,0,0|1,0,0]=3 6897 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [2,0,0,0,0,0|1,0,0]=3 6898 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [2,0,0,0,0,0|1,0,0]=3 6899 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [2,0,0,0,0,0|1,0,0]=3 6900 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [2,0,0,0,0,0|1,0,0]=3 6901 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [2,0,0,0,0,0|1,0,0]=3 6902 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [2,0,0,0,0,0|1,0,0]=3 6903 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [2,0,0,0,0,0|1,0,0]=3 6904 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [2,0,0,0,0,0|1,0,0]=3 6905 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [2,0,0,0,0,0|1,0,0]=3 6906 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [2,0,0,0,0,0|2,0,0]=4 6907 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [2,0,0,0,0,0|2,0,0]=4 6908 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [2,0,0,0,0,0|2,0,0]=4 6909 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [2,0,0,0,0,0|2,0,0]=4 6910 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [2,0,0,0,0,0|2,0,0]=4 6911 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [2,0,0,0,0,0|2,0,0]=4 6912 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [2,0,0,0,0,0|2,0,0]=4 6913 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [2,0,0,0,0,0|1,0,1]=4 6914 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [2,0,0,0,0,0|1,0,1]=4 6915 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [2,0,0,0,0,0|1,0,1]=4 6916 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [2,0,0,0,0,0|2,0,0]=4 6917 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [2,0,0,0,0,0|2,0,0]=4 6918 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [2,0,0,0,0,0|2,0,0]=4 6919 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [2,0,0,0,0,0|2,0,0]=4 6920 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [2,0,0,0,0,0|2,0,0]=4 6921 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [2,0,0,0,0,0|2,0,0]=4 6922 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [2,0,0,0,0,0|2,0,0]=4 6923 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [2,0,0,0,0,0|2,0,0]=4 6924 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [2,0,0,0,0,0|2,0,0]=4 6925 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [2,0,0,0,0,0|2,0,0]=4 6926 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [2,0,0,0,0,0|2,0,0]=4 6927 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [2,0,0,0,0,0|2,0,0]=4 6928 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [2,0,0,0,0,0|2,0,0]=4 6929 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [2,0,0,0,0,0|2,0,0]=4 6930 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [2,0,0,0,0,0|2,0,0]=4 6931 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [2,0,0,0,0,0|2,0,0]=4 6932 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [2,0,0,0,0,0|2,0,0]=4 6933 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [2,0,0,0,0,0|2,0,0]=4 6934 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [2,0,0,0,0,0|2,0,0]=4 6935 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [2,0,0,0,0,0|2,0,0]=4 6936 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [2,0,0,0,0,0|2,0,0]=4 6937 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [2,0,0,0,0,0|2,0,0]=4 6938 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [2,0,0,0,0,0|2,0,0]=4 6939 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [2,0,0,0,0,0|2,0,0]=4 6940 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [2,0,0,0,0,0|2,0,0]=4 6941 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [2,0,0,0,0,0|2,0,0]=4 6942 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [2,0,0,0,0,0|2,0,0]=4 6943 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [2,0,0,0,0,0|2,0,0]=4 6944 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [2,0,0,0,0,0|2,0,0]=4 6945 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [2,0,0,0,0,0|2,0,0]=4 6946 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [2,0,0,0,0,0|1,0,0]=3 6947 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [2,0,0,0,0,0|1,0,0]=3 6948 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [2,0,0,0,0,0|1,0,0]=3 6949 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [2,0,0,0,0,0|1,0,0]=3 6950 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [2,0,0,0,0,0|2,0,0]=4 6951 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [2,0,0,0,0,0|2,0,0]=4 6952 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [2,0,0,0,0,0|2,0,0]=4 6953 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [2,0,0,0,0,0|2,0,0]=4 6954 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [2,0,0,0,0,0|2,0,0]=4 6955 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [2,0,0,0,0,0|2,0,0]=4 6956 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [2,0,0,0,0,0|2,0,0]=4 6957 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [2,0,0,0,0,0|2,0,0]=4 6958 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [2,0,0,0,0,0|2,0,0]=4 6959 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [2,0,0,0,0,0|2,0,0]=4 6960 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [2,0,0,0,0,0|2,0,0]=4 6961 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [2,0,0,0,0,0|2,0,0]=4 6962 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [2,0,0,0,0,0|2,0,0]=4 6963 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [2,0,0,0,0,0|2,0,0]=4 6964 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [2,0,0,0,0,0|2,0,0]=4 6965 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [2,0,0,0,0,0|2,0,0]=4 6966 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [2,0,0,0,0,0|2,0,0]=4 6967 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [2,0,0,0,0,0|2,0,0]=4 6968 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [2,0,0,0,0,0|2,0,0]=4 6969 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [2,0,0,0,0,0|2,0,0]=4 6970 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [2,0,0,0,0,0|2,0,0]=4 6971 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [2,0,0,0,0,0|2,0,0]=4 6972 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [2,0,0,0,0,0|2,0,0]=4 6973 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [1,1,0,0,0,0|0,0,2]=4 6974 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [1,1,0,0,0,0|0,0,2]=4 6975 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [1,1,0,0,0,0|0,0,2]=4 6976 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [1,1,0,0,0,0|0,0,2]=4 6977 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [1,1,0,0,0,0|0,0,2]=4 6978 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [1,1,0,0,0,0|0,0,2]=4 6979 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [1,1,0,0,0,0|0,0,2]=4 6980 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [1,1,0,0,0,0|0,0,2]=4 6981 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,1,0,0,0,0|0,0,2]=4 6982 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [1,1,0,0,0,0|0,0,2]=4 6983 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [1,1,0,0,0,0|0,0,2]=4 6984 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [1,1,0,0,0,0|0,0,2]=4 6985 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [1,1,0,0,0,0|0,0,2]=4 6986 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,1,0,0,0,0|0,0,2]=4 6987 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,1,0,0,0,0|0,0,2]=4 6988 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,1,0,0,0,0|0,0,2]=4 6989 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,1,0,0,0,0|0,0,2]=4 6990 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [1,1,0,0,0,0|0,0,2]=4 6991 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,1,0,0,0,0|0,0,2]=4 6992 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,1,0,0,0,0|0,0,2]=4 6993 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,1,0,0,0,0|0,0,2]=4 6994 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,1,0,0,0,0|0,0,2]=4 6995 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,1,0,0,0,0|0,0,2]=4 6996 B11R0.3 CCC#CCOCCCCCC 34a_100000032950_100000210314 [1,1,0,0,0,0|0,0,2]=4 6997 B11R0.3 CCC#CCOCCCCCC 34a_100000210259_100009813939 [1,1,0,0,0,0|0,0,2]=4 6998 B11R0.3 CCC#CCOCCCCCC 7a_100000210259_100009813939 [1,1,0,0,0,0|0,0,2]=4 6999 B11R0.3 CCCC#CCCOCCCC 34a_100000042726_100000210210 [1,1,0,0,0,0|0,0,2]=4 7000 B11R0.3 CCCC#CCCOCCCC 7a_100000042726_100000210211 [1,1,0,0,0,0|0,0,2]=4 7001 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [1,1,0,0,0,0|1,0,0]=3 7002 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [1,1,0,0,0,0|1,0,0]=3 7003 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [1,1,0,0,0,0|1,0,0]=3 7004 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [1,1,0,0,0,0|1,0,0]=3 7005 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [1,1,0,0,0,0|0,0,1]=3 7006 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [1,1,0,0,0,0|0,0,1]=3 7007 B11R0.3 CCCC/C=C/COCCCF 34a_200016272032_100011934791 [1,1,0,0,0,0|1,0,1]=4 7008 B11R0.3 CCCC/C=C/COCCCF 7a_200016272032_100011934791 [1,1,0,0,0,0|1,0,1]=4 7009 B11R0.3 CCCC/C=C/COCCCO 34a_200016272032_100000230001 [1,1,0,0,0,0|1,0,1]=4 7010 B11R0.3 CCCC/C=C/COCCCO 7a_200016272032_100011215043 [1,1,0,0,0,0|1,0,1]=4 7011 B11R0.3 CCCC/C=C/COCCOC 34a_200016272032_100011201679 [1,1,0,0,0,0|1,0,1]=4 7012 B11R0.3 CCCC/C=C/COCCOC 7a_200016272032_100000233755 [1,1,0,0,0,0|1,0,1]=4 7013 B11R0.3 CCCC/C=C/COCCSC 34a_200016272032_100000212216 [1,1,0,0,0,0|1,0,1]=4 7014 B11R0.3 CCCC/C=C/COCCSC 7a_200016272032_100000212216 [1,1,0,0,0,0|1,0,1]=4 7015 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [1,1,0,0,0,0|1,0,0]=3 7016 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [1,1,0,0,0,0|1,0,0]=3 7017 B11R0.3 CCCC/C=C\CCOCCF 34a_200016286491_100011217306 [1,1,0,0,0,0|2,0,0]=4 7018 B11R0.3 CCCC/C=C\CCOCCF 7a_200016286491_100011217306 [1,1,0,0,0,0|2,0,0]=4 7019 B11R0.3 CCCC/C=C\CCOCCO 34a_200016286491_100000211926 [1,1,0,0,0,0|2,0,0]=4 7020 B11R0.3 CCCC/C=C\CCOCCO 7a_200016286491_100000211926 [1,1,0,0,0,0|2,0,0]=4 7021 B11R0.3 CCCC/C=C\CCOCSC 34a_200016286491_100011218213 [1,1,0,0,0,0|2,0,0]=4 7022 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [1,1,0,0,0,0|1,0,1]=4 7023 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [1,1,0,0,0,0|1,0,1]=4 7024 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [1,1,0,0,0,0|1,0,1]=4 7025 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [1,1,0,0,0,0|1,0,1]=4 7026 B11R0.3 CCCCC#CCCCNCC 2230a_100015525214_200000047210 [1,1,0,0,0,0|1,0,1]=4 7027 B11R0.3 CCCCC#CCCCOCC 34a_100121572206_200000047210 [1,1,0,0,0,0|1,0,1]=4 7028 B11R0.3 CCCCC#CCCCSCC 62a_100000210202_200000047210 [1,1,0,0,0,0|1,0,1]=4 7029 B11R0.3 CCCCC#CCCCSCC 62a_200000047210_100000210202 [1,1,0,0,0,0|1,0,1]=4 7030 B11R0.3 CCCCC#CCCOCCC 34a_100000037610_100000210303 [1,1,0,0,0,0|1,0,1]=4 7031 B11R0.3 CCCCC#CCCOCCC 7a_100000037610_100000210303 [1,1,0,0,0,0|1,0,1]=4 7032 B11R0.3 CCCCC#CCOCCCC 34a_200000034558_100000210210 [1,1,0,0,0,0|0,0,2]=4 7033 B11R0.3 CCCCC#CCOCCCC 7a_200000034558_100000210211 [1,1,0,0,0,0|0,0,2]=4 7034 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [1,1,0,0,0,0|1,0,0]=3 7035 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [1,1,0,0,0,0|1,0,0]=3 7036 B11R0.3 CCCCC/C=C/COCCF 34a_100016258190_100011217306 [1,1,0,0,0,0|2,0,0]=4 7037 B11R0.3 CCCCC/C=C/COCCF 7a_100016258190_100011217306 [1,1,0,0,0,0|2,0,0]=4 7038 B11R0.3 CCCCC/C=C/COCCO 34a_100016258190_100000211926 [1,1,0,0,0,0|2,0,0]=4 7039 B11R0.3 CCCCC/C=C/COCCO 7a_100016258190_100000211926 [1,1,0,0,0,0|2,0,0]=4 7040 B11R0.3 CCCCC/C=C/COCSC 34a_100016258190_100011218213 [1,1,0,0,0,0|2,0,0]=4 7041 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [1,1,0,0,0,0|1,0,0]=3 7042 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [1,1,0,0,0,0|1,0,0]=3 7043 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [1,1,0,0,0,0|1,0,0]=3 7044 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [1,1,0,0,0,0|1,0,0]=3 7045 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [1,1,0,0,0,0|1,0,0]=3 7046 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [1,1,0,0,0,0|1,0,0]=3 7047 B11R0.3 CCCCC/C=C\CCOCF 34a_100016277358_100015361967 [1,1,0,0,0,0|2,0,0]=4 7048 B11R0.3 CCCCC/C=C\CCOCF 7a_100016277358_100015361967 [1,1,0,0,0,0|2,0,0]=4 7049 B11R0.3 CCCCC=NNCCCCC 4a_100000694160_100000210104 [1,1,0,0,0,0|2,0,0]=4 7050 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [1,1,0,0,0,0|1,0,1]=4 7051 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [1,1,0,0,0,0|1,0,1]=4 7052 B11R0.3 CCCCCC#CCOCCC 34a_100000210258_100009816472 [1,1,0,0,0,0|1,0,1]=4 7053 B11R0.3 CCCCCC#CCOCCC 34a_200000033628_100000210303 [1,1,0,0,0,0|1,0,1]=4 7054 B11R0.3 CCCCCC#CCOCCC 7a_200000033628_100000210303 [1,1,0,0,0,0|1,0,1]=4 7055 B11R0.3 CCCCCC#CCSCCC 62a_100000210303_100009816472 [1,1,0,0,0,0|1,0,1]=4 7056 B11R0.3 CCCCCC#CCSCCC 62a_100009816472_100000210303 [1,1,0,0,0,0|1,0,1]=4 7057 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [1,1,0,0,0,0|2,0,0]=4 7058 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [1,1,0,0,0,0|2,0,0]=4 7059 B11R0.3 CCCCCC=NNCCCC 4a_100025702795_100000737632 [1,1,0,0,0,0|1,0,0]=3 7060 B11R0.3 CCCCCCC=NNCCC 4a_100000740057_100000234349 [1,1,0,0,0,0|2,0,0]=4 7061 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,1,0,0,0,0|1,0,1]=4 7062 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,1,0,0,0,0|1,0,1]=4 7063 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,1,0,0,0,0|1,0,1]=4 7064 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,1,0,0,0,0|1,0,1]=4 7065 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,1,0,0,0,0|1,0,1]=4 7066 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,1,0,0,0,0|1,0,1]=4 7067 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,1,0,0,0,0|1,0,1]=4 7068 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,1,0,0,0,0|1,0,1]=4 7069 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,1,0,0,0,0|1,0,1]=4 7070 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,1,0,0,0,0|1,0,1]=4 7071 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,1,0,0,0,0|1,0,1]=4 7072 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,1,0,0,0,0|1,0,1]=4 7073 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,1,0,0,0,0|1,0,1]=4 7074 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,1,0,0,0,0|1,0,1]=4 7075 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [1,1,0,0,0,0|1,0,1]=4 7076 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [1,1,0,0,0,0|1,0,1]=4 7077 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [1,1,0,0,0,0|1,0,1]=4 7078 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,1,0,0,0,0|1,0,1]=4 7079 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,1,0,0,0,0|1,0,1]=4 7080 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,1,0,0,0,0|1,0,1]=4 7081 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [1,1,0,0,0,0|1,0,1]=4 7082 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,1,0,0,0,0|1,0,1]=4 7083 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,1,0,0,0,0|1,0,1]=4 7084 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,1,0,0,0,0|1,0,1]=4 7085 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,1,0,0,0,0|1,0,1]=4 7086 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,1,0,0,0,0|1,0,1]=4 7087 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,1,0,0,0,0|1,0,1]=4 7088 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,1,0,0,0,0|1,0,1]=4 7089 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [1,1,0,0,0,0|1,0,1]=4 7090 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [1,1,0,0,0,0|1,0,1]=4 7091 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [1,1,0,0,0,0|1,0,1]=4 7092 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [1,1,0,0,0,0|1,0,1]=4 7093 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [1,1,0,0,0,0|0,0,1]=3 7094 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [1,1,0,0,0,0|0,0,1]=3 7095 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [1,1,0,0,0,0|0,0,1]=3 7096 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [1,1,0,0,0,0|0,0,1]=3 7097 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [1,1,0,0,0,0|1,0,1]=4 7098 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [1,1,0,0,0,0|1,0,1]=4 7099 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [1,1,0,0,0,0|1,0,1]=4 7100 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [1,1,0,0,0,0|1,0,1]=4 7101 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [1,1,0,0,0,0|1,0,1]=4 7102 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [1,1,0,0,0,0|1,0,1]=4 7103 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [1,1,0,0,0,0|1,0,1]=4 7104 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [1,1,0,0,0,0|1,0,1]=4 7105 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [1,1,0,0,0,0|1,0,1]=4 7106 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [1,1,0,0,0,0|1,0,1]=4 7107 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [1,1,0,0,0,0|1,0,1]=4 7108 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [1,1,0,0,0,0|1,0,1]=4 7109 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [1,1,0,0,0,0|1,0,1]=4 7110 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [1,1,0,0,0,0|1,0,1]=4 7111 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [1,1,0,0,0,0|0,1,1]=4 7112 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [1,1,0,0,0,0|0,1,1]=4 7113 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [1,1,0,0,0,0|1,0,1]=4 7114 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [1,1,0,0,0,0|1,0,1]=4 7115 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [1,1,0,0,0,0|1,0,1]=4 7116 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [1,1,0,0,0,0|1,0,1]=4 7117 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [1,1,0,0,0,0|1,0,1]=4 7118 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [1,1,0,0,0,0|1,0,1]=4 7119 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [1,1,0,0,0,0|1,0,1]=4 7120 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [1,1,0,0,0,0|1,0,1]=4 7121 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [1,1,0,0,0,0|1,0,1]=4 7122 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [1,1,0,0,0,0|1,0,1]=4 7123 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [1,1,0,0,0,0|1,0,1]=4 7124 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [1,1,0,0,0,0|1,0,1]=4 7125 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [1,1,0,0,0,0|1,0,1]=4 7126 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [1,1,0,0,0,0|1,0,1]=4 7127 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [1,1,0,0,0,0|0,0,2]=4 7128 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,1,0,0,0,0|0,0,2]=4 7129 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [1,1,0,0,0,0|0,0,1]=3 7130 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,1,0,0,0,0|0,0,1]=3 7131 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,1,0,0,0,0|0,0,1]=3 7132 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,1,0,0,0,0|0,0,1]=3 7133 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,1,0,0,0,0|0,0,1]=3 7134 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [1,1,0,0,0,0|0,0,1]=3 7135 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [1,1,0,0,0,0|0,0,1]=3 7136 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [1,1,0,0,0,0|0,0,1]=3 7137 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [1,1,0,0,0,0|0,0,1]=3 7138 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [1,1,0,0,0,0|0,0,1]=3 7139 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [1,1,0,0,0,0|0,0,1]=3 7140 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [1,1,0,0,0,0|0,0,1]=3 7141 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [1,1,0,0,0,0|0,0,1]=3 7142 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [1,1,0,0,0,0|0,0,1]=3 7143 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [1,1,0,0,0,0|0,0,1]=3 7144 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [1,1,0,0,0,0|0,0,1]=3 7145 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [1,1,0,0,0,0|0,0,1]=3 7146 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [1,1,0,0,0,0|0,0,1]=3 7147 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [1,1,0,0,0,0|0,0,1]=3 7148 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [1,1,0,0,0,0|0,0,1]=3 7149 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [1,1,0,0,0,0|0,0,1]=3 7150 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [1,1,0,0,0,0|0,0,1]=3 7151 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [1,1,0,0,0,0|0,0,1]=3 7152 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [1,1,0,0,0,0|0,0,1]=3 7153 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [1,1,0,0,0,0|0,0,1]=3 7154 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [1,1,0,0,0,0|0,0,1]=3 7155 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [1,1,0,0,0,0|0,0,1]=3 7156 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [1,1,0,0,0,0|1,0,1]=4 7157 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [1,1,0,0,0,0|1,0,1]=4 7158 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [1,1,0,0,0,0|0,0,1]=3 7159 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [1,1,0,0,0,0|0,0,1]=3 7160 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [1,1,0,0,0,0|0,0,1]=3 7161 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [1,1,0,0,0,0|0,0,1]=3 7162 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [1,1,0,0,0,0|0,1,1]=4 7163 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [1,1,0,0,0,0|0,1,1]=4 7164 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [1,1,0,0,0,0|0,1,1]=4 7165 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [1,1,0,0,0,0|0,1,1]=4 7166 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [1,1,0,0,0,0|0,1,1]=4 7167 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [1,1,0,0,0,0|0,1,1]=4 7168 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [1,1,0,0,0,0|0,1,1]=4 7169 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [1,1,0,0,0,0|0,1,1]=4 7170 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [1,1,0,0,0,0|0,1,1]=4 7171 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [1,1,0,0,0,0|0,1,1]=4 7172 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [1,1,0,0,0,0|0,1,1]=4 7173 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [1,1,0,0,0,0|0,1,1]=4 7174 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [1,1,0,0,0,0|2,0,0]=4 7175 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [1,1,0,0,0,0|2,0,0]=4 7176 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [1,1,0,0,0,0|2,0,0]=4 7177 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [1,1,0,0,0,0|2,0,0]=4 7178 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [1,1,0,0,0,0|2,0,0]=4 7179 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [1,1,0,0,0,0|2,0,0]=4 7180 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [1,1,0,0,0,0|2,0,0]=4 7181 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [1,1,0,0,0,0|2,0,0]=4 7182 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [1,1,0,0,0,0|2,0,0]=4 7183 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [1,1,0,0,0,0|2,0,0]=4 7184 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [1,1,0,0,0,0|2,0,0]=4 7185 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [1,1,0,0,0,0|2,0,0]=4 7186 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [1,1,0,0,0,0|2,0,0]=4 7187 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [1,1,0,0,0,0|0,0,1]=3 7188 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [1,1,0,0,0,0|1,0,1]=4 7189 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [1,1,0,0,0,0|1,0,1]=4 7190 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [1,1,0,0,0,0|1,0,1]=4 7191 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [1,1,0,0,0,0|1,0,1]=4 7192 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [1,1,0,0,0,0|1,0,1]=4 7193 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [1,1,0,0,0,0|1,0,1]=4 7194 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [1,1,0,0,0,0|1,0,1]=4 7195 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [1,1,0,0,0,0|1,0,1]=4 7196 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [1,1,0,0,0,0|1,0,1]=4 7197 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [1,1,0,0,0,0|1,0,1]=4 7198 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [1,1,0,0,0,0|1,0,1]=4 7199 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [1,1,0,0,0,0|1,0,1]=4 7200 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [1,1,0,0,0,0|1,0,1]=4 7201 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [1,1,0,0,0,0|1,0,1]=4 7202 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [1,1,0,0,0,0|1,0,1]=4 7203 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [1,1,0,0,0,0|1,0,1]=4 7204 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [1,1,0,0,0,0|1,0,1]=4 7205 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [1,1,0,0,0,0|1,0,1]=4 7206 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [1,1,0,0,0,0|1,0,1]=4 7207 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [1,1,0,0,0,0|1,0,1]=4 7208 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [1,1,0,0,0,0|1,0,1]=4 7209 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [1,1,0,0,0,0|1,0,1]=4 7210 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [1,1,0,0,0,0|1,0,1]=4 7211 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [1,1,0,0,0,0|1,0,1]=4 7212 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [1,1,0,0,0,0|1,0,1]=4 7213 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [1,1,0,0,0,0|1,0,1]=4 7214 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [1,1,0,0,0,0|1,0,1]=4 7215 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [1,1,0,0,0,0|1,0,1]=4 7216 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [1,1,0,0,0,0|1,0,1]=4 7217 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [1,1,0,0,0,0|1,0,1]=4 7218 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [1,1,0,0,0,0|1,0,1]=4 7219 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [1,1,0,0,0,0|0,0,1]=3 7220 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [1,1,0,0,0,0|2,0,0]=4 7221 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [1,1,0,0,0,0|2,0,0]=4 7222 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [1,1,0,0,0,0|2,0,0]=4 7223 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [1,1,0,0,0,0|2,0,0]=4 7224 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [1,1,0,0,0,0|2,0,0]=4 7225 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [1,1,0,0,0,0|2,0,0]=4 7226 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [1,1,0,0,0,0|2,0,0]=4 7227 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [1,1,0,0,0,0|2,0,0]=4 7228 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [1,1,0,0,0,0|2,0,0]=4 7229 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [1,1,0,0,0,0|2,0,0]=4 7230 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [1,1,0,0,0,0|0,0,1]=3 7231 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [1,1,0,0,0,0|0,0,1]=3 7232 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [1,1,0,0,0,0|1,0,1]=4 7233 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [1,1,0,0,0,0|1,0,1]=4 7234 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [1,1,0,0,0,0|1,0,1]=4 7235 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [1,1,0,0,0,0|1,0,1]=4 7236 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [1,1,0,0,0,0|1,0,1]=4 7237 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [1,1,0,0,0,0|1,0,1]=4 7238 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [1,1,0,0,0,0|1,0,1]=4 7239 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [1,1,0,0,0,0|1,0,1]=4 7240 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [1,1,0,0,0,0|1,0,1]=4 7241 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [1,1,0,0,0,0|1,0,1]=4 7242 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [1,1,0,0,0,0|1,0,1]=4 7243 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [1,1,0,0,0,0|1,0,1]=4 7244 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [1,1,0,0,0,0|1,0,1]=4 7245 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [1,1,0,0,0,0|0,0,1]=3 7246 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [1,1,0,0,0,0|0,0,1]=3 7247 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [1,1,0,0,0,0|1,0,1]=4 7248 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [1,1,0,0,0,0|1,0,1]=4 7249 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [1,1,0,0,0,0|1,0,1]=4 7250 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [1,1,0,0,0,0|1,0,1]=4 7251 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [1,1,0,0,0,0|0,1,1]=4 7252 B11R0.3 CCCCNN=CCCCCO 4a_100025702795_100000031955 [1,1,0,0,0,0|2,0,0]=4 7253 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [1,1,0,0,0,0|0,0,2]=4 7254 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,1,0,0,0,0|0,0,2]=4 7255 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [1,1,0,0,0,0|0,0,1]=3 7256 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [1,1,0,0,0,0|0,0,1]=3 7257 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [1,1,0,0,0,0|0,0,1]=3 7258 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [1,1,0,0,0,0|0,0,1]=3 7259 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [1,1,0,0,0,0|0,0,1]=3 7260 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [1,1,0,0,0,0|0,0,1]=3 7261 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [1,1,0,0,0,0|0,0,1]=3 7262 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [1,1,0,0,0,0|0,0,1]=3 7263 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [1,1,0,0,0,0|0,0,1]=3 7264 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [1,1,0,0,0,0|0,0,1]=3 7265 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [1,1,0,0,0,0|0,0,1]=3 7266 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [1,1,0,0,0,0|0,0,1]=3 7267 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [1,1,0,0,0,0|0,0,1]=3 7268 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [1,1,0,0,0,0|0,0,1]=3 7269 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [1,1,0,0,0,0|1,0,1]=4 7270 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [1,1,0,0,0,0|1,0,1]=4 7271 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [1,1,0,0,0,0|0,0,1]=3 7272 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [1,1,0,0,0,0|0,0,1]=3 7273 B11R0.3 CCCCOCCCNCCF 2230a_200000211371_100011217306 [1,1,0,0,0,0|1,0,1]=4 7274 B11R0.3 CCCCOCCCNCCF 34a_200000211371_100011217306 [1,1,0,0,0,0|1,0,1]=4 7275 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [1,1,0,0,0,0|1,0,1]=4 7276 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [1,1,0,0,0,0|1,0,1]=4 7277 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [1,1,0,0,0,0|1,0,1]=4 7278 B11R0.3 CCCCOCCCNCSC 2230a_200000211371_100011218213 [1,1,0,0,0,0|1,0,1]=4 7279 B11R0.3 CCCCOCCCNCSC 34a_200000211371_100011218213 [1,1,0,0,0,0|1,0,1]=4 7280 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [1,1,0,0,0,0|0,0,1]=3 7281 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [1,1,0,0,0,0|0,0,1]=3 7282 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [1,1,0,0,0,0|1,0,1]=4 7283 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [1,1,0,0,0,0|1,0,1]=4 7284 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [1,1,0,0,0,0|1,0,1]=4 7285 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [1,1,0,0,0,0|1,0,1]=4 7286 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [1,1,0,0,0,0|1,0,1]=4 7287 B11R0.3 CCCCOCCNCCCF 2230a_100015189416_100000743108 [1,1,0,0,0,0|1,0,1]=4 7288 B11R0.3 CCCCOCCNCCCF 34a_100015189416_100000743108 [1,1,0,0,0,0|1,0,1]=4 7289 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [1,1,0,0,0,0|1,0,1]=4 7290 B11R0.3 CCCCOCCNCCSC 2230a_100020590264_100000743108 [1,1,0,0,0,0|1,0,1]=4 7291 B11R0.3 CCCCOCCOCCCBr 34a_100011217188_100000743108 [1,1,0,0,0,0|1,0,1]=4 7292 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [1,1,0,0,0,0|0,0,1]=3 7293 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [1,1,0,0,0,0|0,0,1]=3 7294 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [1,1,0,0,0,0|0,0,1]=3 7295 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [1,1,0,0,0,0|0,0,1]=3 7296 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [1,1,0,0,0,0|1,0,1]=4 7297 B11R0.3 CCCCOCCOCCCF 34a_100000210238_100011934791 [1,1,0,0,0,0|1,0,1]=4 7298 B11R0.3 CCCCOCCOCCCF 34a_100000759539_100000743108 [1,1,0,0,0,0|1,0,1]=4 7299 B11R0.3 CCCCOCCOCCCF 7a_100000210238_100011934791 [1,1,0,0,0,0|1,0,1]=4 7300 B11R0.3 CCCCOCCOCCCN 34a_100000182051_100000743108 [1,1,0,0,0,0|1,0,1]=4 7301 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [1,1,0,0,0,0|1,0,1]=4 7302 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [1,1,0,0,0,0|1,0,1]=4 7303 B11R0.3 CCCCOCCOCCNC 34a_100000228057_100000210210 [1,1,0,0,0,0|1,0,1]=4 7304 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [1,1,0,0,0,0|1,0,1]=4 7305 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [1,1,0,0,0,0|1,0,1]=4 7306 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [1,1,0,0,0,0|1,0,1]=4 7307 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [1,1,0,0,0,0|1,0,1]=4 7308 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [1,1,0,0,0,0|1,0,1]=4 7309 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [1,1,0,0,0,0|1,0,1]=4 7310 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [1,1,0,0,0,0|1,0,1]=4 7311 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [1,1,0,0,0,0|1,0,1]=4 7312 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [1,1,0,0,0,0|1,0,1]=4 7313 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [1,1,0,0,0,0|1,0,1]=4 7314 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [1,1,0,0,0,0|1,0,1]=4 7315 B11R0.3 CCCCOCCOCCSC 34a_100000210238_100000212216 [1,1,0,0,0,0|1,0,1]=4 7316 B11R0.3 CCCCOCCOCCSC 34a_100000230434_100000743108 [1,1,0,0,0,0|1,0,1]=4 7317 B11R0.3 CCCCOCCOCCSC 7a_100000210238_100000212216 [1,1,0,0,0,0|1,0,1]=4 7318 B11R0.3 CCCCOCCOCCSC 7a_100000230434_100000743108 [1,1,0,0,0,0|1,0,1]=4 7319 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [1,1,0,0,0,0|0,0,1]=3 7320 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [1,1,0,0,0,0|0,0,1]=3 7321 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [1,1,0,0,0,0|0,0,1]=3 7322 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [1,1,0,0,0,0|0,0,1]=3 7323 B11R0.3 CCCCOCCSCCCF 62a_100000743108_100011934791 [1,1,0,0,0,0|1,0,1]=4 7324 B11R0.3 CCCCOCCSCCCF 62a_100011934791_100000743108 [1,1,0,0,0,0|1,0,1]=4 7325 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [1,1,0,0,0,0|1,0,1]=4 7326 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [1,1,0,0,0,0|1,0,1]=4 7327 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [1,1,0,0,0,0|1,0,1]=4 7328 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [1,1,0,0,0,0|1,0,1]=4 7329 B11R0.3 CCCCOCCSCCSC 62a_100000212216_100000743108 [1,1,0,0,0,0|1,0,1]=4 7330 B11R0.3 CCCCOCCSCCSC 62a_100000743108_100000751147 [1,1,0,0,0,0|1,0,1]=4 7331 B11R0.3 CCCCOCCSCOCC 62a_100000739092_100000743108 [1,1,0,0,0,0|1,0,1]=4 7332 B11R0.3 CCCCOCCSCOCC 62a_100000743108_100000739092 [1,1,0,0,0,0|1,0,1]=4 7333 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [1,1,0,0,0,0|1,0,1]=4 7334 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [1,1,0,0,0,0|1,0,1]=4 7335 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [1,1,0,0,0,0|1,0,1]=4 7336 B11R0.3 CCCCOCNCCCSC 2230a_100000749238_100011995733 [1,1,0,0,0,0|1,0,1]=4 7337 B11R0.3 CCCCOCNCCOCC 2230a_102516460346_100011995733 [1,1,0,0,0,0|1,0,1]=4 7338 B11R0.3 CCCCOCNCCOCC 34a_102516460346_100011995733 [1,1,0,0,0,0|1,0,1]=4 7339 B11R0.3 CCCCOCNCCSCC 2230a_100000106463_100011995733 [1,1,0,0,0,0|1,0,1]=4 7340 B11R0.3 CCCCOCOCCCCBr 34a_100011216708_100011995733 [1,1,0,0,0,0|1,0,1]=4 7341 B11R0.3 CCCCOCOCCCCCl 34a_100000210776_100011995733 [1,1,0,0,0,0|1,0,1]=4 7342 B11R0.3 CCCCOCOCCCCF 34a_100011995726_100011995733 [1,1,0,0,0,0|1,0,1]=4 7343 B11R0.3 CCCCOCOCCCCI 34a_200012148704_100011995733 [1,1,0,0,0,0|1,0,1]=4 7344 B11R0.3 CCCCOCOCCCCN 34a_100000750430_100011995733 [1,1,0,0,0,0|1,0,1]=4 7345 B11R0.3 CCCCOCOCCCNC 34a_100000213112_100011995733 [1,1,0,0,0,0|1,0,1]=4 7346 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [1,1,0,0,0,0|1,0,1]=4 7347 B11R0.3 CCCCOCOCCCSC 34a_100000690336_100011995733 [1,1,0,0,0,0|1,0,1]=4 7348 B11R0.3 CCCCOCOCCOCC 34a_100000210136_100011995733 [1,1,0,0,0,0|1,0,1]=4 7349 B11R0.3 CCCCOCOCCSCC 34a_100000212035_100011995733 [1,1,0,0,0,0|1,0,1]=4 7350 B11R0.3 CCCCOCSCCCCF 62a_100000729493_100011995733 [1,1,0,0,0,0|1,0,1]=4 7351 B11R0.3 CCCCOCSCCCCF 62a_100011995733_100000729493 [1,1,0,0,0,0|1,0,1]=4 7352 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [1,1,0,0,0,0|1,0,1]=4 7353 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [1,1,0,0,0,0|1,0,1]=4 7354 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [1,1,0,0,0,0|1,0,1]=4 7355 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [1,1,0,0,0,0|1,0,1]=4 7356 B11R0.3 CCCCOCSCCOCC 62a_100000210147_100011995733 [1,1,0,0,0,0|1,0,1]=4 7357 B11R0.3 CCCCOCSCCOCC 62a_100011995733_100011215890 [1,1,0,0,0,0|1,0,1]=4 7358 B11R0.3 CCCCOCSCCSCC 62a_100000757381_100011995733 [1,1,0,0,0,0|1,0,1]=4 7359 B11R0.3 CCCCOCSCCSCC 62a_100011995733_100000757381 [1,1,0,0,0,0|1,0,1]=4 7360 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [1,1,0,0,0,0|0,1,1]=4 7361 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [1,1,0,0,0,0|0,1,1]=4 7362 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [1,1,0,0,0,0|0,1,1]=4 7363 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [1,1,0,0,0,0|0,1,1]=4 7364 B11R0.3 CCCCSCCOCCCF 34a_200000230436_100011934791 [1,1,0,0,0,0|1,0,1]=4 7365 B11R0.3 CCCCSCCOCCCF 7a_200000230436_100011934791 [1,1,0,0,0,0|1,0,1]=4 7366 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [1,1,0,0,0,0|1,0,1]=4 7367 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [1,1,0,0,0,0|1,0,1]=4 7368 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [1,1,0,0,0,0|1,0,1]=4 7369 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [1,1,0,0,0,0|1,0,1]=4 7370 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [1,1,0,0,0,0|1,0,1]=4 7371 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [1,1,0,0,0,0|1,0,1]=4 7372 B11R0.3 CCCCSCCOCCSC 34a_200000230436_100000212216 [1,1,0,0,0,0|1,0,1]=4 7373 B11R0.3 CCCCSCCOCCSC 7a_200000230436_100000212216 [1,1,0,0,0,0|1,0,1]=4 7374 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [1,1,0,0,0,0|1,0,1]=4 7375 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [1,1,0,0,0,0|1,0,1]=4 7376 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [1,1,0,0,0,0|1,0,1]=4 7377 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [1,1,0,0,0,0|1,0,1]=4 7378 B11R0.3 CCCNCCOCCOCC 2230a_100102712874_100000210303 [1,1,0,0,0,0|1,0,1]=4 7379 B11R0.3 CCCNCCOCCOCC 34a_100102712874_100000210303 [1,1,0,0,0,0|1,0,1]=4 7380 B11R0.3 CCCOCCCOCCCN 34a_100011310245_100000210303 [1,1,0,0,0,0|1,0,1]=4 7381 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [1,1,0,0,0,0|1,0,1]=4 7382 B11R0.3 CCCOCCOCCCCBr 34a_100011216708_100011215938 [1,1,0,0,0,0|1,0,1]=4 7383 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [1,1,0,0,0,0|1,0,1]=4 7384 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [1,1,0,0,0,0|1,0,1]=4 7385 B11R0.3 CCCOCCOCCCCF 34a_100000752267_100000729493 [1,1,0,0,0,0|1,0,1]=4 7386 B11R0.3 CCCOCCOCCCCF 34a_100011995726_100011215938 [1,1,0,0,0,0|1,0,1]=4 7387 B11R0.3 CCCOCCOCCCCF 7a_100000752267_100000729493 [1,1,0,0,0,0|1,0,1]=4 7388 B11R0.3 CCCOCCOCCCCF 7a_100011995726_100011215938 [1,1,0,0,0,0|1,0,1]=4 7389 B11R0.3 CCCOCCOCCCCI 34a_200012148704_100011215938 [1,1,0,0,0,0|1,0,1]=4 7390 B11R0.3 CCCOCCOCCCCN 34a_100000750430_100011215938 [1,1,0,0,0,0|1,0,1]=4 7391 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [1,1,0,0,0,0|1,0,1]=4 7392 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [1,1,0,0,0,0|1,0,1]=4 7393 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [1,1,0,0,0,0|1,0,1]=4 7394 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [1,1,0,0,0,0|1,0,1]=4 7395 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [1,1,0,0,0,0|1,0,1]=4 7396 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [1,1,0,0,0,0|1,0,1]=4 7397 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [1,1,0,0,0,0|1,0,1]=4 7398 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [1,1,0,0,0,0|1,0,1]=4 7399 B11R0.3 CCCOCCOCCNCC 2230a_200011904461_100000210202 [1,1,0,0,0,0|1,0,1]=4 7400 B11R0.3 CCCOCCOCCNCC 34a_200011904461_100000210202 [1,1,0,0,0,0|1,0,1]=4 7401 B11R0.3 CCCOCCOCCOCC 34a_100000210136_100011215938 [1,1,0,0,0,0|1,0,1]=4 7402 B11R0.3 CCCOCCOCCOCC 34a_100000210240_100000210303 [1,1,0,0,0,0|1,0,1]=4 7403 B11R0.3 CCCOCCOCCOCC 34a_100000210258_100011211534 [1,1,0,0,0,0|1,0,1]=4 7404 B11R0.3 CCCOCCOCCOCC 34a_100000752267_100000210147 [1,1,0,0,0,0|1,0,1]=4 7405 B11R0.3 CCCOCCOCCOCC 7a_100000210136_100011215938 [1,1,0,0,0,0|1,0,1]=4 7406 B11R0.3 CCCOCCOCCOCC 7a_100000210240_100000210303 [1,1,0,0,0,0|1,0,1]=4 7407 B11R0.3 CCCOCCOCCOCC 7a_100000752267_100011215890 [1,1,0,0,0,0|1,0,1]=4 7408 B11R0.3 CCCOCCOCCSCC 34a_100000212035_100011215938 [1,1,0,0,0,0|1,0,1]=4 7409 B11R0.3 CCCOCCOCCSCC 34a_100000752267_100000757381 [1,1,0,0,0,0|1,0,1]=4 7410 B11R0.3 CCCOCCOCCSCC 7a_100000212035_100011215938 [1,1,0,0,0,0|1,0,1]=4 7411 B11R0.3 CCCOCCOCCSCC 7a_100000752267_100000757381 [1,1,0,0,0,0|1,0,1]=4 7412 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [1,1,0,0,0,0|1,0,1]=4 7413 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [1,1,0,0,0,0|1,0,1]=4 7414 B11R0.3 CCCSCCOCCCCF 34a_200000230433_100000729493 [1,1,0,0,0,0|1,0,1]=4 7415 B11R0.3 CCCSCCOCCCCF 7a_200000230433_100000729493 [1,1,0,0,0,0|1,0,1]=4 7416 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [1,1,0,0,0,0|1,0,1]=4 7417 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [1,1,0,0,0,0|1,0,1]=4 7418 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [1,1,0,0,0,0|1,0,1]=4 7419 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [1,1,0,0,0,0|1,0,1]=4 7420 B11R0.3 CCCSCCOCCOCC 34a_200000230433_100000210147 [1,1,0,0,0,0|1,0,1]=4 7421 B11R0.3 CCCSCCOCCOCC 62a_100000210303_100011211534 [1,1,0,0,0,0|1,0,1]=4 7422 B11R0.3 CCCSCCOCCOCC 62a_100011211534_100000210303 [1,1,0,0,0,0|1,0,1]=4 7423 B11R0.3 CCCSCCOCCOCC 7a_200000230433_100011215890 [1,1,0,0,0,0|1,0,1]=4 7424 B11R0.3 CCCSCCOCCSCC 34a_200000230433_100000757381 [1,1,0,0,0,0|1,0,1]=4 7425 B11R0.3 CCCSCCOCCSCC 7a_200000230433_100000757381 [1,1,0,0,0,0|1,0,1]=4 7426 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [1,1,0,0,0,0|1,0,1]=4 7427 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [1,1,0,0,0,0|1,0,1]=4 7428 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [1,1,0,0,0,0|1,0,1]=4 7429 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [1,1,0,0,0,0|1,0,1]=4 7430 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [1,1,0,0,0,0|1,0,1]=4 7431 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [1,1,0,0,0,0|1,0,1]=4 7432 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [1,1,0,0,0,0|1,0,1]=4 7433 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [1,1,0,0,0,0|1,0,1]=4 7434 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [1,1,0,0,0,0|1,0,1]=4 7435 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [1,1,0,0,0,0|1,0,1]=4 7436 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [1,1,0,0,0,0|1,0,1]=4 7437 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [1,1,0,0,0,0|1,0,1]=4 7438 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [1,1,0,0,0,0|1,0,1]=4 7439 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [1,1,0,0,0,0|1,0,1]=4 7440 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [1,1,0,0,0,0|1,0,1]=4 7441 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [1,1,0,0,0,0|1,0,1]=4 7442 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [1,1,0,0,0,0|1,0,1]=4 7443 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [1,1,0,0,0,0|1,0,1]=4 7444 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [1,1,0,0,0,0|1,0,1]=4 7445 B11R0.3 CCOCCCOCCOCC 34a_100000210136_100012232248 [1,1,0,0,0,0|1,0,1]=4 7446 B11R0.3 CCOCCCOCCOCC 34a_100000757476_100000210147 [1,1,0,0,0,0|1,0,1]=4 7447 B11R0.3 CCOCCCOCCOCC 7a_100000210136_100012232248 [1,1,0,0,0,0|1,0,1]=4 7448 B11R0.3 CCOCCCOCCOCC 7a_100000757476_100011215890 [1,1,0,0,0,0|1,0,1]=4 7449 B11R0.3 CCOCCCOCCSCC 34a_100000212035_100012232248 [1,1,0,0,0,0|1,0,1]=4 7450 B11R0.3 CCOCCCOCCSCC 34a_100000757476_100000757381 [1,1,0,0,0,0|1,0,1]=4 7451 B11R0.3 CCOCCCOCCSCC 7a_100000212035_100012232248 [1,1,0,0,0,0|1,0,1]=4 7452 B11R0.3 CCOCCCOCCSCC 7a_100000757476_100000757381 [1,1,0,0,0,0|1,0,1]=4 7453 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [1,1,0,0,0,0|1,0,1]=4 7454 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [1,1,0,0,0,0|1,0,1]=4 7455 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [1,1,0,0,0,0|1,0,1]=4 7456 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [1,1,0,0,0,0|1,0,1]=4 7457 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [1,1,0,0,0,0|1,0,1]=4 7458 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [1,1,0,0,0,0|1,0,1]=4 7459 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [1,1,0,0,0,0|1,0,1]=4 7460 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [1,1,0,0,0,0|1,0,1]=4 7461 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [1,1,0,0,0,0|1,0,1]=4 7462 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [1,1,0,0,0,0|1,0,1]=4 7463 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [1,1,0,0,0,0|1,0,1]=4 7464 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [1,1,0,0,0,0|1,0,1]=4 7465 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [1,1,0,0,0,0|1,0,1]=4 7466 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [1,1,0,0,0,0|1,0,1]=4 7467 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [1,1,0,0,0,0|1,0,1]=4 7468 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [1,1,0,0,0,0|1,0,1]=4 7469 B11R0.3 CCOCCOCCCSCC 34a_100011216438_100000210147 [1,1,0,0,0,0|1,0,1]=4 7470 B11R0.3 CCOCCOCCCSCC 7a_100011216438_100011215890 [1,1,0,0,0,0|1,0,1]=4 7471 B11R0.3 CCSCCCOCCCCF 34a_100011216438_100000729493 [1,1,0,0,0,0|1,0,1]=4 7472 B11R0.3 CCSCCCOCCCCF 7a_100011216438_100000729493 [1,1,0,0,0,0|1,0,1]=4 7473 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [1,1,0,0,0,0|1,0,1]=4 7474 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [1,1,0,0,0,0|1,0,1]=4 7475 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [1,1,0,0,0,0|1,0,1]=4 7476 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [1,1,0,0,0,0|1,0,1]=4 7477 B11R0.3 CCSCCCOCCSCC 34a_100011216438_100000757381 [1,1,0,0,0,0|1,0,1]=4 7478 B11R0.3 CCSCCCOCCSCC 7a_100011216438_100000757381 [1,1,0,0,0,0|1,0,1]=4 7479 B11R0.3 CCSCCOCCCCCBr 34a_100000746331_100000757381 [1,1,0,0,0,0|1,0,1]=4 7480 B11R0.3 CCSCCOCCCCCBr 7a_100000746331_100000757381 [1,1,0,0,0,0|1,0,1]=4 7481 B11R0.3 CCSCCOCCCCCCl 34a_100000746330_100000757381 [1,1,0,0,0,0|1,0,1]=4 7482 B11R0.3 CCSCCOCCCCCCl 7a_100000746330_100000757381 [1,1,0,0,0,0|1,0,1]=4 7483 B11R0.3 CCSCCOCCCCCF 34a_100000212035_100000729378 [1,1,0,0,0,0|1,0,1]=4 7484 B11R0.3 CCSCCOCCCCCF 7a_100000212035_100000729378 [1,1,0,0,0,0|1,0,1]=4 7485 B11R0.3 CCSCCOCCCCCI 34a_200012148887_100000757381 [1,1,0,0,0,0|1,0,1]=4 7486 B11R0.3 CCSCCOCCCCCI 7a_200012148887_100000757381 [1,1,0,0,0,0|1,0,1]=4 7487 B11R0.3 CCSCCOCCCCCN 34a_100000762737_100000757381 [1,1,0,0,0,0|1,0,1]=4 7488 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [1,1,0,0,0,0|1,0,1]=4 7489 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [1,1,0,0,0,0|1,0,1]=4 7490 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [1,1,0,0,0,0|1,0,1]=4 7491 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [1,1,0,0,0,0|1,0,1]=4 7492 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [1,1,0,0,0,0|1,0,1]=4 7493 B11R0.3 CCSCCOCCCCSC 34a_100011217163_100000757381 [1,1,0,0,0,0|1,0,1]=4 7494 B11R0.3 CCSCCOCCCCSC 7a_100011217163_100000757381 [1,1,0,0,0,0|1,0,1]=4 7495 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [1,1,0,0,0,0|1,0,1]=4 7496 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [1,1,0,0,0,0|1,0,1]=4 7497 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [1,1,0,0,0,0|1,0,1]=4 7498 B11R0.3 CNCCCCCOCCSC 34a_100000722520_100000212216 [1,1,0,0,0,0|1,0,1]=4 7499 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [1,1,0,0,0,0|1,0,1]=4 7500 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [1,1,0,0,0,0|1,0,1]=4 7501 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [1,1,0,0,0,0|1,0,1]=4 7502 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [1,1,0,0,0,0|1,0,1]=4 7503 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [1,1,0,0,0,0|1,0,1]=4 7504 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [1,1,0,0,0,0|1,0,1]=4 7505 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [1,1,0,0,0,0|1,0,1]=4 7506 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [1,1,0,0,0,0|1,0,1]=4 7507 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [1,1,0,0,0,0|1,0,1]=4 7508 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [1,1,0,0,0,0|1,0,1]=4 7509 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [1,1,0,0,0,0|1,0,1]=4 7510 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [1,1,0,0,0,0|1,0,1]=4 7511 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [1,1,0,0,0,0|1,0,1]=4 7512 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [1,1,0,0,0,0|1,0,1]=4 7513 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [1,1,0,0,0,0|1,0,1]=4 7514 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [1,1,0,0,0,0|1,0,1]=4 7515 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [1,1,0,0,0,0|1,0,1]=4 7516 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [1,1,0,0,0,0|1,0,1]=4 7517 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [1,1,0,0,0,0|1,0,1]=4 7518 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [1,1,0,0,0,0|1,0,1]=4 7519 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [1,1,0,0,0,0|1,0,1]=4 7520 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [1,1,0,0,0,0|1,0,1]=4 7521 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [1,1,0,0,0,0|1,0,1]=4 7522 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [1,1,0,0,0,0|1,0,1]=4 7523 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [1,1,0,0,0,0|1,0,1]=4 7524 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [1,1,0,0,0,0|1,0,1]=4 7525 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [1,1,0,0,0,0|1,0,1]=4 7526 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [1,1,0,0,0,0|1,0,1]=4 7527 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [1,1,0,0,0,0|1,0,1]=4 7528 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [1,1,0,0,0,0|1,0,1]=4 7529 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [1,1,0,0,0,0|1,0,1]=4 7530 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [1,1,0,0,0,0|1,0,1]=4 7531 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [1,1,0,0,0,0|1,0,1]=4 7532 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [1,1,0,0,0,0|1,0,1]=4 7533 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [1,1,0,0,0,0|1,0,1]=4 7534 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [1,1,0,0,0,0|1,0,1]=4 7535 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [1,1,0,0,0,0|1,0,1]=4 7536 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [1,1,0,0,0,0|1,0,1]=4 7537 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [1,1,0,0,0,0|1,0,1]=4 7538 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [1,1,0,0,0,0|1,0,1]=4 7539 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [1,1,0,0,0,0|1,0,1]=4 7540 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [1,1,0,0,0,0|1,0,1]=4 7541 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [1,1,0,0,0,0|1,0,1]=4 7542 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [1,1,0,0,0,0|1,0,1]=4 7543 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [1,1,0,0,0,0|1,0,1]=4 7544 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [1,1,0,0,0,0|1,0,1]=4 7545 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [1,1,0,0,0,0|1,0,1]=4 7546 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [1,1,0,0,0,0|1,0,1]=4 7547 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [1,1,0,0,0,0|1,0,1]=4 7548 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [1,1,0,0,0,0|1,0,1]=4 7549 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [1,1,0,0,0,0|1,0,1]=4 7550 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [1,1,0,0,0,0|1,0,1]=4 7551 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [1,1,0,0,0,0|1,0,1]=4 7552 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [1,1,0,0,0,0|1,0,1]=4 7553 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [1,1,0,0,0,0|1,0,1]=4 7554 B11R0.3 FCCCCCCOCCCBr 34a_100011217188_100015922095 [1,1,0,0,0,0|1,0,1]=4 7555 B11R0.3 FCCCCCCOCCCCl 34a_100000230001_100015922095 [1,1,0,0,0,0|1,0,1]=4 7556 B11R0.3 FCCCCCCOCCCF 34a_100000732779_100011934791 [1,1,0,0,0,0|1,0,1]=4 7557 B11R0.3 FCCCCCCOCCCF 34a_100000759539_100015922095 [1,1,0,0,0,0|1,0,1]=4 7558 B11R0.3 FCCCCCCOCCCF 7a_100000732779_100011934791 [1,1,0,0,0,0|1,0,1]=4 7559 B11R0.3 FCCCCCOCCCCBr 34a_100011216708_100000729378 [1,1,0,0,0,0|1,0,1]=4 7560 B11R0.3 FCCCCCOCCCCCl 34a_100000210776_100000729378 [1,1,0,0,0,0|1,0,1]=4 7561 B11R0.3 FCCCCCOCCCCCl 7a_100000210776_100000729378 [1,1,0,0,0,0|1,0,1]=4 7562 B11R0.3 FCCCCCOCCCCF 34a_100011995726_100000729378 [1,1,0,0,0,0|1,0,1]=4 7563 B11R0.3 FCCCCCOCCCCF 7a_100011995726_100000729378 [1,1,0,0,0,0|1,0,1]=4 7564 B11R0.3 FCCCCCOCCCCI 34a_200012148704_100000729378 [1,1,0,0,0,0|1,0,1]=4 7565 B11R0.3 FCCCCOCCCCCBr 34a_100000746331_100000729493 [1,1,0,0,0,0|1,0,1]=4 7566 B11R0.3 FCCCCOCCCCCBr 7a_100000746331_100000729493 [1,1,0,0,0,0|1,0,1]=4 7567 B11R0.3 FCCCCOCCCCCCl 34a_100000746330_100000729493 [1,1,0,0,0,0|1,0,1]=4 7568 B11R0.3 FCCCCOCCCCCCl 7a_100000746330_100000729493 [1,1,0,0,0,0|1,0,1]=4 7569 B11R0.3 FCCCCOCCCCCI 34a_200012148887_100000729493 [1,1,0,0,0,0|1,0,1]=4 7570 B11R0.3 FCCCCOCCCCCI 7a_200012148887_100000729493 [1,1,0,0,0,0|1,0,1]=4 7571 B11R0.3 FCCCOCCCCCCBr 34a_100011215345_100011934791 [1,1,0,0,0,0|1,0,1]=4 7572 B11R0.3 FCCCOCCCCCCBr 7a_100011215345_100011934791 [1,1,0,0,0,0|1,0,1]=4 7573 B11R0.3 FCCCOCCCCCCCl 34a_100000766143_100011934791 [1,1,0,0,0,0|1,0,1]=4 7574 B11R0.3 FCCCOCCCCCCCl 7a_100000766143_100011934791 [1,1,0,0,0,0|1,0,1]=4 7575 B11R0.3 NCCCCCCOCCCF 34a_100000686447_100011934791 [1,1,0,0,0,0|1,0,1]=4 7576 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [1,1,0,0,0,0|1,0,1]=4 7577 B11R0.3 NCCCCCOCCCCF 34a_100000762737_100000729493 [1,1,0,0,0,0|1,0,1]=4 7578 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [1,1,0,0,0,0|1,0,1]=4 7579 B11R0.3 NCCCCOCCCCCF 34a_100000750430_100000729378 [1,1,0,0,0,0|1,0,1]=4 7580 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [1,1,0,0,0,0|1,0,1]=4 7581 B11R0.3 NCCCOCCCCCCF 34a_100000182051_100015922095 [1,1,0,0,0,0|1,0,1]=4 7582 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [1,1,0,0,0,0|1,0,1]=4 7583 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [1,1,0,0,0,0|1,0,1]=4 7584 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [1,1,0,0,0,0|1,0,1]=4 7585 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [1,1,0,0,0,0|1,0,1]=4 7586 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [1,1,0,0,0,0|1,0,1]=4 7587 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [1,1,0,0,0,0|1,0,1]=4 7588 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [1,1,0,0,0,0|1,0,1]=4 7589 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [1,1,0,0,0,0|1,0,1]=4 7590 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [1,1,0,0,0,0|1,0,1]=4 7591 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [1,1,0,0,0,0|1,0,1]=4 7592 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [1,1,0,0,0,0|1,0,1]=4 7593 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [1,1,0,0,0,0|1,0,1]=4 7594 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [1,1,0,0,0,0|1,0,1]=4 7595 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [1,1,0,0,0,0|1,0,1]=4 7596 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [1,1,0,0,0,0|1,0,1]=4 7597 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [1,1,0,0,0,0|1,0,1]=4 7598 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [1,1,0,0,0,0|1,0,1]=4 7599 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [1,1,0,0,0,0|1,0,1]=4 7600 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [1,1,0,0,0,0|1,0,1]=4 7601 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [1,1,0,0,0,0|1,0,1]=4 7602 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [1,1,0,0,0,0|1,0,1]=4 7603 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [1,1,0,0,0,0|1,0,1]=4 7604 B11R0.4 CCCC(C)CCOCCCF 34a_100011217855_100011934791 [1,1,0,0,0,0|1,0,1]=4 7605 B11R0.4 CCCC(C)CCOCCCF 7a_100011217855_100011934791 [1,1,0,0,0,0|1,0,1]=4 7606 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [1,1,0,0,0,0|1,0,1]=4 7607 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [1,1,0,0,0,0|1,0,1]=4 7608 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [1,1,0,0,0,0|1,0,1]=4 7609 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [1,1,0,0,0,0|1,0,1]=4 7610 B11R0.4 CCCC(C)CCOCCSC 34a_100011217855_100000212216 [1,1,0,0,0,0|1,0,1]=4 7611 B11R0.4 CCCC(C)CCOCCSC 7a_100011217855_100000212216 [1,1,0,0,0,0|1,0,1]=4 7612 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [1,1,0,0,0,0|1,0,1]=4 7613 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [1,1,0,0,0,0|1,0,1]=4 7614 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [1,1,0,0,0,0|1,0,1]=4 7615 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [1,1,0,0,0,0|1,0,1]=4 7616 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [1,1,0,0,0,0|1,0,1]=4 7617 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [1,1,0,0,0,0|1,0,1]=4 7618 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [1,1,0,0,0,0|1,0,1]=4 7619 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [1,1,0,0,0,0|1,0,1]=4 7620 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [1,1,0,0,0,0|1,0,1]=4 7621 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [1,1,0,0,0,0|1,0,1]=4 7622 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [1,1,0,0,0,0|1,0,1]=4 7623 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [1,1,0,0,0,0|1,0,1]=4 7624 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [1,1,0,0,0,0|1,0,1]=4 7625 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [1,1,0,0,0,0|1,0,1]=4 7626 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [1,1,0,0,0,0|1,0,1]=4 7627 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [1,1,0,0,0,0|1,0,1]=4 7628 B11R0.4 CCCC(C)OCCCOCC 34a_100000757476_100000766640 [1,1,0,0,0,0|1,0,1]=4 7629 B11R0.4 CCCC(C)OCCCOCC 34a_100000764384_100012232248 [1,1,0,0,0,0|1,0,1]=4 7630 B11R0.4 CCCC(C)OCCCOCC 7a_100000757476_100000766640 [1,1,0,0,0,0|1,0,1]=4 7631 B11R0.4 CCCC(C)OCCCOCC 7a_100000764384_100012232248 [1,1,0,0,0,0|1,0,1]=4 7632 B11R0.4 CCCC(C)OCCCSCC 34a_100011216438_100000766640 [1,1,0,0,0,0|1,0,1]=4 7633 B11R0.4 CCCC(C)OCCCSCC 7a_100011216438_100000766640 [1,1,0,0,0,0|1,0,1]=4 7634 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [1,1,0,0,0,0|1,0,1]=4 7635 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [1,1,0,0,0,0|1,0,1]=4 7636 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [1,1,0,0,0,0|1,0,1]=4 7637 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [1,1,0,0,0,0|1,0,1]=4 7638 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [1,1,0,0,0,0|1,0,1]=4 7639 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [1,1,0,0,0,0|1,0,1]=4 7640 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [1,1,0,0,0,0|0,0,1]=3 7641 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [1,1,0,0,0,0|0,0,1]=3 7642 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [1,1,0,0,0,0|0,0,1]=3 7643 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [1,1,0,0,0,0|0,0,1]=3 7644 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [1,1,0,0,0,0|1,0,1]=4 7645 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [1,1,0,0,0,0|1,0,1]=4 7646 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [1,1,0,0,0,0|1,0,1]=4 7647 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [1,1,0,0,0,0|1,0,1]=4 7648 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [1,1,0,0,0,0|1,0,1]=4 7649 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [1,1,0,0,0,0|0,1,1]=4 7650 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [1,1,0,0,0,0|0,1,1]=4 7651 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [1,1,0,0,0,0|2,0,0]=4 7652 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [1,1,0,0,0,0|2,0,0]=4 7653 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [1,1,0,0,0,0|2,0,0]=4 7654 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [1,1,0,0,0,0|2,0,0]=4 7655 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [1,1,0,0,0,0|2,0,0]=4 7656 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [1,1,0,0,0,0|2,0,0]=4 7657 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [1,1,0,0,0,0|2,0,0]=4 7658 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [1,1,0,0,0,0|2,0,0]=4 7659 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [1,1,0,0,0,0|2,0,0]=4 7660 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [1,1,0,0,0,0|0,0,2]=4 7661 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [1,1,0,0,0,0|0,0,1]=3 7662 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [1,1,0,0,0,0|0,0,1]=3 7663 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [1,1,0,0,0,0|1,0,1]=4 7664 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [1,1,0,0,0,0|1,0,1]=4 7665 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [1,1,0,0,0,0|0,0,1]=3 7666 B11R0.4 CCCCOCNC(C)CCC 2230a_100000741246_100011995733 [1,1,0,0,0,0|1,0,1]=4 7667 B11R0.4 CCCCOCOC(C)CCC 34a_100000764384_100011995733 [1,1,0,0,0,0|1,0,1]=4 7668 B11R0.4 CCCCOCSC(C)CCC 62a_100000766640_100011995733 [1,1,0,0,0,0|1,0,1]=4 7669 B11R0.4 CCCCOCSC(C)CCC 62a_100011995733_100000766640 [1,1,0,0,0,0|1,0,1]=4 7670 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [1,1,0,0,0,0|1,0,1]=4 7671 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [1,1,0,0,0,0|1,0,1]=4 7672 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [1,1,0,0,0,0|1,0,1]=4 7673 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [1,1,0,0,0,0|1,0,1]=4 7674 B11R0.4 CCCSCCOC(C)CCC 34a_200000230433_100000766640 [1,1,0,0,0,0|1,0,1]=4 7675 B11R0.4 CCCSCCOC(C)CCC 7a_200000230433_100000766640 [1,1,0,0,0,0|1,0,1]=4 7676 B11R0.4 CCC[C@H](N)CCOCCCF 34a_100015193777_100011934791 [1,1,0,0,0,0|1,0,1]=4 7677 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [1,1,0,0,0,0|1,0,1]=4 7678 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [1,1,0,0,0,0|1,0,1]=4 7679 B11R0.4 CCC[C@H](N)CCOCCSC 34a_100015193777_100000212216 [1,1,0,0,0,0|1,0,1]=4 7680 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [1,1,0,0,0,0|1,0,1]=4 7681 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [1,1,0,0,0,0|1,0,1]=4 7682 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [1,1,0,0,0,0|1,0,1]=4 7683 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [1,1,0,0,0,0|1,0,1]=4 7684 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [1,1,0,0,0,0|1,0,1]=4 7685 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [1,1,0,0,0,0|1,0,1]=4 7686 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [1,1,0,0,0,0|1,0,1]=4 7687 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [1,1,0,0,0,0|1,0,1]=4 7688 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [1,1,0,0,0,0|1,0,1]=4 7689 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [1,1,0,0,0,0|1,0,1]=4 7690 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [1,1,0,0,0,0|1,0,1]=4 7691 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [1,1,0,0,0,0|1,0,1]=4 7692 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [1,1,0,0,0,0|1,0,1]=4 7693 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [1,1,0,0,0,0|1,0,1]=4 7694 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [1,1,0,0,0,0|1,0,1]=4 7695 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [1,1,0,0,0,0|1,0,1]=4 7696 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [1,1,0,0,0,0|1,0,1]=4 7697 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [1,1,0,0,0,0|1,0,1]=4 7698 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [1,1,0,0,0,0|1,0,1]=4 7699 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [1,1,0,0,0,0|1,0,1]=4 7700 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [1,1,0,0,0,0|1,0,1]=4 7701 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [1,1,0,0,0,0|1,0,1]=4 7702 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [1,1,0,0,0,0|1,0,1]=4 7703 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [1,1,0,0,0,0|1,0,1]=4 7704 B11R0.40 CCCC/C=C/COC(C)CC 34a_200016272032_100011215416 [1,1,0,0,0,0|2,0,0]=4 7705 B11R0.40 CCCC/C=C/COC(C)CC 7a_200016272032_100000758301 [1,1,0,0,0,0|2,0,0]=4 7706 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [1,1,0,0,0,0|1,0,1]=4 7707 B11R0.40 CCCCCC=NNC(C)CC 4a_100000718999_100000737632 [1,1,0,0,0,0|2,0,0]=4 7708 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [1,1,0,0,0,0|1,0,1]=4 7709 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [1,1,0,0,0,0|1,0,1]=4 7710 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [1,1,0,0,0,0|1,0,1]=4 7711 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [1,1,0,0,0,0|1,0,1]=4 7712 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [1,1,0,0,0,0|1,0,1]=4 7713 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [1,1,0,0,0,0|1,0,1]=4 7714 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [1,1,0,0,0,0|0,0,2]=4 7715 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [1,1,0,0,0,0|0,0,2]=4 7716 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [1,1,0,0,0,0|0,0,1]=3 7717 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [1,1,0,0,0,0|0,0,1]=3 7718 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [1,1,0,0,0,0|1,0,1]=4 7719 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [1,1,0,0,0,0|1,0,1]=4 7720 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [1,1,0,0,0,0|1,0,1]=4 7721 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [1,1,0,0,0,0|0,0,1]=3 7722 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [1,1,0,0,0,0|0,0,1]=3 7723 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [1,1,0,0,0,0|1,0,1]=4 7724 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [1,1,0,0,0,0|1,0,1]=4 7725 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [1,1,0,0,0,0|0,0,1]=3 7726 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [1,1,0,0,0,0|0,0,1]=3 7727 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [1,1,0,0,0,0|0,0,1]=3 7728 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [1,1,0,0,0,0|1,0,1]=4 7729 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [1,1,0,0,0,0|1,0,1]=4 7730 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [1,1,0,0,0,0|1,0,1]=4 7731 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [1,1,0,0,0,0|1,0,1]=4 7732 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [1,1,0,0,0,0|1,0,1]=4 7733 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [1,1,0,0,0,0|1,0,1]=4 7734 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [1,1,0,0,0,0|1,0,1]=4 7735 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [1,1,0,0,0,0|0,1,1]=4 7736 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [1,1,0,0,0,0|0,1,1]=4 7737 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [1,1,0,0,0,0|0,1,1]=4 7738 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [1,1,0,0,0,0|0,1,1]=4 7739 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [1,1,0,0,0,0|0,1,1]=4 7740 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [1,1,0,0,0,0|0,1,1]=4 7741 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [1,1,0,0,0,0|2,0,0]=4 7742 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [1,1,0,0,0,0|2,0,0]=4 7743 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [1,1,0,0,0,0|0,0,1]=3 7744 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [1,1,0,0,0,0|1,0,1]=4 7745 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [1,1,0,0,0,0|1,0,1]=4 7746 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [1,1,0,0,0,0|1,0,1]=4 7747 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [1,1,0,0,0,0|1,0,1]=4 7748 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [1,1,0,0,0,0|1,0,1]=4 7749 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [1,1,0,0,0,0|1,0,1]=4 7750 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [1,1,0,0,0,0|1,0,1]=4 7751 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [1,1,0,0,0,0|1,0,1]=4 7752 B11R0.40 CCCCOCNCC(C)CC 2230a_100020588543_100011995733 [1,1,0,0,0,0|1,0,1]=4 7753 B11R0.40 CCCCOCNCC(O)CC 2230a_100011218483_100011995733 [1,1,0,0,0,0|1,0,1]=4 7754 B11R0.40 CCCCOCSCC(C)CC 62a_100000748023_100011995733 [1,1,0,0,0,0|1,0,1]=4 7755 B11R0.40 CCCCOCSCC(C)CC 62a_100011995733_100000748023 [1,1,0,0,0,0|1,0,1]=4 7756 B11R0.40 CCCCOCSCC(O)CC 62a_100011218378_100011995733 [1,1,0,0,0,0|1,0,1]=4 7757 B11R0.40 CCCCOCSCC(O)CC 62a_100011995733_100011218378 [1,1,0,0,0,0|1,0,1]=4 7758 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100009816398_100011995733 [1,1,0,0,0,0|1,0,1]=4 7759 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100011995733_100009816398 [1,1,0,0,0,0|1,0,1]=4 7760 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [1,1,0,0,0,0|1,0,1]=4 7761 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [1,1,0,0,0,0|1,0,1]=4 7762 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [1,1,0,0,0,0|1,0,1]=4 7763 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [1,1,0,0,0,0|1,0,1]=4 7764 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [1,1,0,0,0,0|1,0,1]=4 7765 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [1,1,0,0,0,0|1,0,1]=4 7766 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [1,1,0,0,0,0|1,0,1]=4 7767 B11R0.40 CCCSCCOCC(C)CC 34a_200000230433_100000748023 [1,1,0,0,0,0|1,0,1]=4 7768 B11R0.40 CCCSCCOCC(C)CC 7a_200000230433_100000748023 [1,1,0,0,0,0|1,0,1]=4 7769 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [1,1,0,0,0,0|1,0,1]=4 7770 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [1,1,0,0,0,0|1,0,1]=4 7771 B11R0.40 CCCSCCOC[C@@H](C)CC 34a_200000230433_100009816398 [1,1,0,0,0,0|1,0,1]=4 7772 B11R0.40 CCCSCCOC[C@@H](C)CC 7a_200000230433_100009816398 [1,1,0,0,0,0|1,0,1]=4 7773 B11R0.40 CCOCCCOCC(C)CC 34a_100000757476_100000748023 [1,1,0,0,0,0|1,0,1]=4 7774 B11R0.40 CCOCCCOCC(C)CC 7a_100000757476_100000748023 [1,1,0,0,0,0|1,0,1]=4 7775 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [1,1,0,0,0,0|1,0,1]=4 7776 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [1,1,0,0,0,0|1,0,1]=4 7777 B11R0.40 CCOCCCOC[C@@H](C)CC 34a_100000757476_100009816398 [1,1,0,0,0,0|1,0,1]=4 7778 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100000757476_100009816398 [1,1,0,0,0,0|1,0,1]=4 7779 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100009816381_100012232248 [1,1,0,0,0,0|1,0,1]=4 7780 B11R0.40 CCSCCCOCC(C)CC 34a_100011216438_100000748023 [1,1,0,0,0,0|1,0,1]=4 7781 B11R0.40 CCSCCCOCC(C)CC 7a_100011216438_100000748023 [1,1,0,0,0,0|1,0,1]=4 7782 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [1,1,0,0,0,0|1,0,1]=4 7783 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [1,1,0,0,0,0|1,0,1]=4 7784 B11R0.40 CCSCCCOC[C@@H](C)CC 34a_100011216438_100009816398 [1,1,0,0,0,0|1,0,1]=4 7785 B11R0.40 CCSCCCOC[C@@H](C)CC 7a_100011216438_100009816398 [1,1,0,0,0,0|1,0,1]=4 7786 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [1,1,0,0,0,0|1,0,1]=4 7787 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [1,1,0,0,0,0|1,0,1]=4 7788 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [1,1,0,0,0,0|1,0,1]=4 7789 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [1,1,0,0,0,0|1,0,1]=4 7790 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [1,1,0,0,0,0|1,0,1]=4 7791 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [1,1,0,0,0,0|1,0,1]=4 7792 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [1,1,0,0,0,0|1,0,1]=4 7793 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [1,1,0,0,0,0|1,0,1]=4 7794 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [1,1,0,0,0,0|1,0,1]=4 7795 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [1,1,0,0,0,0|1,0,1]=4 7796 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [1,1,0,0,0,0|1,0,1]=4 7797 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [1,1,0,0,0,0|1,0,1]=4 7798 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [1,1,0,0,0,0|1,0,1]=4 7799 B11R0.81 CCCCC(C)COCCCF 34a_100011995851_100011934791 [1,1,0,0,0,0|1,0,1]=4 7800 B11R0.81 CCCCC(C)COCCCF 7a_100011995851_100011934791 [1,1,0,0,0,0|1,0,1]=4 7801 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [1,1,0,0,0,0|1,0,1]=4 7802 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [1,1,0,0,0,0|1,0,1]=4 7803 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [1,1,0,0,0,0|1,0,1]=4 7804 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [1,1,0,0,0,0|1,0,1]=4 7805 B11R0.81 CCCCC(C)COCCSC 34a_100011995851_100000212216 [1,1,0,0,0,0|1,0,1]=4 7806 B11R0.81 CCCCC(C)COCCSC 7a_100011995851_100000212216 [1,1,0,0,0,0|1,0,1]=4 7807 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [1,1,0,0,0,0|1,0,1]=4 7808 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [1,1,0,0,0,0|1,0,1]=4 7809 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [1,1,0,0,0,0|1,0,1]=4 7810 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [1,1,0,0,0,0|1,0,1]=4 7811 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [1,1,0,0,0,0|1,0,1]=4 7812 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [1,1,0,0,0,0|1,0,1]=4 7813 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [1,1,0,0,0,0|1,0,1]=4 7814 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [1,1,0,0,0,0|1,0,1]=4 7815 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [1,1,0,0,0,0|1,0,1]=4 7816 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [1,1,0,0,0,0|1,0,1]=4 7817 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [1,1,0,0,0,0|1,0,1]=4 7818 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 7819 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 7820 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 7821 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 7822 B11R0.81 CCCCCNC(C)CCCC 2230a_100000126638_100000210326 [1,1,0,0,0,0|2,0,0]=4 7823 B11R0.81 CCCCCNC(C)CCCC 2230a_100000209983_200011215066 [1,1,0,0,0,0|2,0,0]=4 7824 B11R0.81 CCCCCNC(C)CCCC 270004a_100000209983_100000210087 [1,1,0,0,0,0|2,0,0]=4 7825 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [1,1,0,0,0,0|2,0,0]=4 7826 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [1,1,0,0,0,0|2,0,0]=4 7827 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [1,1,0,0,0,0|2,0,0]=4 7828 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [1,1,0,0,0,0|2,0,0]=4 7829 B11R0.81 CCCCCSC(C)CCCC 62a_100000210326_200011215066 [1,1,0,0,0,0|2,0,0]=4 7830 B11R0.81 CCCCCSC(C)CCCC 62a_200011215066_100000210326 [1,1,0,0,0,0|2,0,0]=4 7831 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [1,1,0,0,0,0|0,0,2]=4 7832 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [1,1,0,0,0,0|0,0,2]=4 7833 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [1,1,0,0,0,0|0,0,1]=3 7834 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [1,1,0,0,0,0|0,0,1]=3 7835 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [1,1,0,0,0,0|1,0,1]=4 7836 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [1,1,0,0,0,0|1,0,1]=4 7837 B11R0.81 CCCCOCN(C)CCCC 2230a_100000207549_100011995733 [1,1,0,0,0,0|1,0,1]=4 7838 B11R0.81 CCCCOCN(C)CCCC 269982a_100000207549_100011995733 [1,1,0,0,0,0|1,0,1]=4 7839 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [1,1,0,0,0,0|0,0,1]=3 7840 B11R0.81 CCCCOC[C@@H](N)CCSC 34a_100011827619_100000210210 [1,1,0,0,0,0|1,0,1]=4 7841 B11R0.81 CCCC[C@H](N)COCCCF 34a_100011934283_100011934791 [1,1,0,0,0,0|1,0,1]=4 7842 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [1,1,0,0,0,0|1,0,1]=4 7843 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [1,1,0,0,0,0|1,0,1]=4 7844 B11R0.81 CCCC[C@H](N)COCCSC 34a_100011934283_100000212216 [1,1,0,0,0,0|1,0,1]=4 7845 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [1,1,0,0,0,0|0,0,2]=4 7846 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [1,1,0,0,0,0|0,0,2]=4 7847 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [1,1,0,0,0,0|0,0,2]=4 7848 B11R0.148 CC(Br)CCOCCCCCF 34a_100009893172_100000729378 [1,1,0,0,0,0|1,0,1]=4 7849 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [1,1,0,0,0,0|1,0,1]=4 7850 B11R0.148 CC(C)CCCCOCCCBr 34a_100011217188_100011216152 [1,1,0,0,0,0|1,0,1]=4 7851 B11R0.148 CC(C)CCCCOCCCCl 34a_100000230001_100011216152 [1,1,0,0,0,0|1,0,1]=4 7852 B11R0.148 CC(C)CCCCOCCCF 34a_100000759539_100011216152 [1,1,0,0,0,0|1,0,1]=4 7853 B11R0.148 CC(C)CCCCOCCCF 34a_100011214890_100011934791 [1,1,0,0,0,0|1,0,1]=4 7854 B11R0.148 CC(C)CCCCOCCCF 7a_100011214890_100011934791 [1,1,0,0,0,0|1,0,1]=4 7855 B11R0.148 CC(C)CCCCOCCCN 34a_100000182051_100011216152 [1,1,0,0,0,0|1,0,1]=4 7856 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [1,1,0,0,0,0|1,0,1]=4 7857 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [1,1,0,0,0,0|1,0,1]=4 7858 B11R0.148 CC(C)CCOCCCCCBr 34a_100000746331_100000210312 [1,1,0,0,0,0|1,0,1]=4 7859 B11R0.148 CC(C)CCOCCCCCBr 7a_100000746331_100000210626 [1,1,0,0,0,0|1,0,1]=4 7860 B11R0.148 CC(C)CCOCCCCCCl 34a_100000746330_100000210312 [1,1,0,0,0,0|1,0,1]=4 7861 B11R0.148 CC(C)CCOCCCCCCl 7a_100000746330_100000210626 [1,1,0,0,0,0|1,0,1]=4 7862 B11R0.148 CC(C)CCOCCCCCF 34a_100000210254_100000729378 [1,1,0,0,0,0|1,0,1]=4 7863 B11R0.148 CC(C)CCOCCCCCF 7a_100000210254_100000729378 [1,1,0,0,0,0|1,0,1]=4 7864 B11R0.148 CC(C)CCOCCCCCI 34a_200012148887_100000210312 [1,1,0,0,0,0|1,0,1]=4 7865 B11R0.148 CC(C)CCOCCCCCI 7a_200012148887_100000210626 [1,1,0,0,0,0|1,0,1]=4 7866 B11R0.148 CC(C)CCOCCCCCN 34a_100000762737_100000210312 [1,1,0,0,0,0|1,0,1]=4 7867 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [1,1,0,0,0,0|1,0,1]=4 7868 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [1,1,0,0,0,0|1,0,1]=4 7869 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [1,1,0,0,0,0|1,0,1]=4 7870 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [1,1,0,0,0,0|1,0,1]=4 7871 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [1,1,0,0,0,0|1,0,1]=4 7872 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [1,1,0,0,0,0|1,0,1]=4 7873 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [1,1,0,0,0,0|1,0,1]=4 7874 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [1,1,0,0,0,0|1,0,1]=4 7875 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [1,1,0,0,0,0|1,0,1]=4 7876 B11R0.148 CCCC/C=C/COCC(C)C 34a_200016272032_100000210624 [1,1,0,0,0,0|2,0,0]=4 7877 B11R0.148 CCCC/C=C/COCC(C)C 7a_200016272032_100000210760 [1,1,0,0,0,0|2,0,0]=4 7878 B11R0.148 CCCC/C=C/COCC(C)O 34a_200016272032_100011218427 [1,1,0,0,0,0|2,0,0]=4 7879 B11R0.148 CCCC/C=C/COCC(C)O 7a_200016272032_100011218427 [1,1,0,0,0,0|2,0,0]=4 7880 B11R0.148 CCCC/C=C/COC[C@@H](C)O 34a_200016272032_100009817552 [1,1,0,0,0,0|2,0,0]=4 7881 B11R0.148 CCCC/C=C/COC[C@@H](C)O 7a_200016272032_100009817552 [1,1,0,0,0,0|2,0,0]=4 7882 B11R0.148 CCCC/C=C\CCOC(C)C 34a_200016286491_100000210206 [1,1,0,0,0,0|2,0,0]=4 7883 B11R0.148 CCCC/C=C\CCOC(C)C 7a_200016286491_100000210206 [1,1,0,0,0,0|2,0,0]=4 7884 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [1,1,0,0,0,0|1,0,1]=4 7885 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [1,1,0,0,0,0|1,0,1]=4 7886 B11R0.148 CCCCC/C=C/COC(C)C 34a_100016258190_100000210206 [1,1,0,0,0,0|2,0,0]=4 7887 B11R0.148 CCCCC/C=C/COC(C)C 7a_100016258190_100000210206 [1,1,0,0,0,0|2,0,0]=4 7888 B11R0.148 CCCCCC=NNCC(C)O 4a_200000730056_100000737632 [1,1,0,0,0,0|2,0,0]=4 7889 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [1,1,0,0,0,0|1,0,1]=4 7890 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [1,1,0,0,0,0|1,0,1]=4 7891 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [1,1,0,0,0,0|1,0,1]=4 7892 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [1,1,0,0,0,0|1,0,1]=4 7893 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,1,0,0,0,0|0,0,2]=4 7894 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,1,0,0,0,0|0,0,2]=4 7895 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,1,0,0,0,0|0,0,2]=4 7896 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [1,1,0,0,0,0|0,0,1]=3 7897 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [1,1,0,0,0,0|0,0,1]=3 7898 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [1,1,0,0,0,0|0,0,1]=3 7899 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [1,1,0,0,0,0|0,0,1]=3 7900 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [1,1,0,0,0,0|0,0,1]=3 7901 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [1,1,0,0,0,0|0,0,1]=3 7902 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [1,1,0,0,0,0|0,0,1]=3 7903 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [1,1,0,0,0,0|1,0,1]=4 7904 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [1,1,0,0,0,0|1,0,1]=4 7905 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [1,1,0,0,0,0|0,0,1]=3 7906 B11R0.148 CCCCCCOCOC(C)C 34a_100000210259_100000709892 [1,1,0,0,0,0|1,0,1]=4 7907 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [1,1,0,0,0,0|0,1,1]=4 7908 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [1,1,0,0,0,0|0,1,1]=4 7909 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [1,1,0,0,0,0|0,1,1]=4 7910 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [1,1,0,0,0,0|0,1,1]=4 7911 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [1,1,0,0,0,0|2,0,0]=4 7912 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [1,1,0,0,0,0|2,0,0]=4 7913 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [1,1,0,0,0,0|2,0,0]=4 7914 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [1,1,0,0,0,0|2,0,0]=4 7915 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [1,1,0,0,0,0|2,0,0]=4 7916 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [1,1,0,0,0,0|2,0,0]=4 7917 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [1,1,0,0,0,0|2,0,0]=4 7918 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [1,1,0,0,0,0|2,0,0]=4 7919 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [1,1,0,0,0,0|2,0,0]=4 7920 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [1,1,0,0,0,0|2,0,0]=4 7921 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [1,1,0,0,0,0|2,0,0]=4 7922 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [1,1,0,0,0,0|2,0,0]=4 7923 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [1,1,0,0,0,0|2,0,0]=4 7924 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [1,1,0,0,0,0|2,0,0]=4 7925 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [1,1,0,0,0,0|1,0,1]=4 7926 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [1,1,0,0,0,0|1,0,1]=4 7927 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,1,0,0,0,0|0,0,2]=4 7928 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,1,0,0,0,0|0,0,2]=4 7929 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [1,1,0,0,0,0|0,0,1]=3 7930 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [1,1,0,0,0,0|0,0,1]=3 7931 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [1,1,0,0,0,0|0,0,1]=3 7932 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [1,1,0,0,0,0|0,0,1]=3 7933 B11R0.148 CCCCOCCCNC(C)C 2230a_200000211371_100000210206 [1,1,0,0,0,0|1,0,1]=4 7934 B11R0.148 CCCCOCCCNC(C)C 34a_100000182298_100000210210 [1,1,0,0,0,0|1,0,1]=4 7935 B11R0.148 CCCCOCCCNC(C)C 34a_200000211371_100000210206 [1,1,0,0,0,0|1,0,1]=4 7936 B11R0.148 CCCCOCCCOC(C)C 34a_200011215613_100000210206 [1,1,0,0,0,0|1,0,1]=4 7937 B11R0.148 CCCCOCCCOC(C)C 7a_200011215613_100000210206 [1,1,0,0,0,0|1,0,1]=4 7938 B11R0.148 CCCCOCCNCC(C)C 2230a_100000210953_100000743108 [1,1,0,0,0,0|1,0,1]=4 7939 B11R0.148 CCCCOCCNCC(C)C 34a_100000210953_100000743108 [1,1,0,0,0,0|1,0,1]=4 7940 B11R0.148 CCCCOCCNCC(C)C 34a_100015185251_100000210210 [1,1,0,0,0,0|1,0,1]=4 7941 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [1,1,0,0,0,0|1,0,1]=4 7942 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [1,1,0,0,0,0|1,0,1]=4 7943 B11R0.148 CCCCOCCOCC(C)Br 34a_100012180447_100000743108 [1,1,0,0,0,0|1,0,1]=4 7944 B11R0.148 CCCCOCCOCC(C)C 34a_100000210238_100000210624 [1,1,0,0,0,0|1,0,1]=4 7945 B11R0.148 CCCCOCCOCC(C)C 34a_100000210257_100000743108 [1,1,0,0,0,0|1,0,1]=4 7946 B11R0.148 CCCCOCCOCC(C)C 34a_100000703358_100000210210 [1,1,0,0,0,0|1,0,1]=4 7947 B11R0.148 CCCCOCCOCC(C)C 7a_100000210238_100000210760 [1,1,0,0,0,0|1,0,1]=4 7948 B11R0.148 CCCCOCCOCC(C)C 7a_100000703358_100000210211 [1,1,0,0,0,0|1,0,1]=4 7949 B11R0.148 CCCCOCCOCC(C)F 34a_100015925927_100000743108 [1,1,0,0,0,0|1,0,1]=4 7950 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [1,1,0,0,0,0|1,0,1]=4 7951 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [1,1,0,0,0,0|1,0,1]=4 7952 B11R0.148 CCCCOCCOC[C@@H](C)Cl 34a_100016084084_100000743108 [1,1,0,0,0,0|1,0,1]=4 7953 B11R0.148 CCCCOCCOC[C@@H](C)N 34a_100000737577_100000743108 [1,1,0,0,0,0|1,0,1]=4 7954 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [1,1,0,0,0,0|1,0,1]=4 7955 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [1,1,0,0,0,0|1,0,1]=4 7956 B11R0.148 CCCCOCCSCC(C)C 34a_200000230437_100000210210 [1,1,0,0,0,0|1,0,1]=4 7957 B11R0.148 CCCCOCCSCC(C)C 62a_100000210624_100000743108 [1,1,0,0,0,0|1,0,1]=4 7958 B11R0.148 CCCCOCCSCC(C)C 62a_100000743108_100000210760 [1,1,0,0,0,0|1,0,1]=4 7959 B11R0.148 CCCCOCCSCC(C)C 7a_200000230437_100000210211 [1,1,0,0,0,0|1,0,1]=4 7960 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [1,1,0,0,0,0|1,0,1]=4 7961 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [1,1,0,0,0,0|1,0,1]=4 7962 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [1,1,0,0,0,0|1,0,1]=4 7963 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [1,1,0,0,0,0|1,0,1]=4 7964 B11R0.148 CCCCOCNCCC(C)O 2230a_200000755665_100011995733 [1,1,0,0,0,0|1,0,1]=4 7965 B11R0.148 CCCCOCOCCC(C)Br 34a_100009893172_100011995733 [1,1,0,0,0,0|1,0,1]=4 7966 B11R0.148 CCCCOCOCCC(C)C 34a_100000210254_100011995733 [1,1,0,0,0,0|1,0,1]=4 7967 B11R0.148 CCCCOCOCC[C@@H](C)N 34a_100000706166_100011995733 [1,1,0,0,0,0|1,0,1]=4 7968 B11R0.148 CCCCOCSCCC(C)C 62a_100000210312_100011995733 [1,1,0,0,0,0|1,0,1]=4 7969 B11R0.148 CCCCOCSCCC(C)C 62a_100011995733_100000210312 [1,1,0,0,0,0|1,0,1]=4 7970 B11R0.148 CCCCOCSCCC(C)O 62a_100011995733_100012276601 [1,1,0,0,0,0|1,0,1]=4 7971 B11R0.148 CCCCOCSCCC(C)O 62a_100012276601_100011995733 [1,1,0,0,0,0|1,0,1]=4 7972 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [1,1,0,0,0,0|0,1,1]=4 7973 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [1,1,0,0,0,0|0,1,1]=4 7974 B11R0.148 CCCOCCOCCC(C)Br 34a_100009893172_100011215938 [1,1,0,0,0,0|1,0,1]=4 7975 B11R0.148 CCCOCCOCCC(C)C 34a_100000210254_100011215938 [1,1,0,0,0,0|1,0,1]=4 7976 B11R0.148 CCCOCCOCCC(C)C 34a_100000752267_100000210312 [1,1,0,0,0,0|1,0,1]=4 7977 B11R0.148 CCCOCCOCCC(C)C 7a_100000210254_100011215938 [1,1,0,0,0,0|1,0,1]=4 7978 B11R0.148 CCCOCCOCCC(C)C 7a_100000752267_100000210626 [1,1,0,0,0,0|1,0,1]=4 7979 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [1,1,0,0,0,0|1,0,1]=4 7980 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [1,1,0,0,0,0|1,0,1]=4 7981 B11R0.148 CCCOCCOCC[C@@H](C)N 34a_100000706166_100011215938 [1,1,0,0,0,0|1,0,1]=4 7982 B11R0.148 CCCSCCOCCC(C)C 34a_200000230433_100000210312 [1,1,0,0,0,0|1,0,1]=4 7983 B11R0.148 CCCSCCOCCC(C)C 7a_200000230433_100000210626 [1,1,0,0,0,0|1,0,1]=4 7984 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [1,1,0,0,0,0|1,0,1]=4 7985 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [1,1,0,0,0,0|1,0,1]=4 7986 B11R0.148 CCOCCCOCCC(C)Br 34a_100009893172_100012232248 [1,1,0,0,0,0|1,0,1]=4 7987 B11R0.148 CCOCCCOCCC(C)C 34a_100000210254_100012232248 [1,1,0,0,0,0|1,0,1]=4 7988 B11R0.148 CCOCCCOCCC(C)C 34a_100000757476_100000210312 [1,1,0,0,0,0|1,0,1]=4 7989 B11R0.148 CCOCCCOCCC(C)C 7a_100000210254_100012232248 [1,1,0,0,0,0|1,0,1]=4 7990 B11R0.148 CCOCCCOCCC(C)C 7a_100000757476_100000210626 [1,1,0,0,0,0|1,0,1]=4 7991 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [1,1,0,0,0,0|1,0,1]=4 7992 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [1,1,0,0,0,0|1,0,1]=4 7993 B11R0.148 CCOCCCOCC[C@@H](C)N 34a_100000706166_100012232248 [1,1,0,0,0,0|1,0,1]=4 7994 B11R0.148 CCSCCCOCCC(C)C 34a_100011216438_100000210312 [1,1,0,0,0,0|1,0,1]=4 7995 B11R0.148 CCSCCCOCCC(C)C 7a_100011216438_100000210626 [1,1,0,0,0,0|1,0,1]=4 7996 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [1,1,0,0,0,0|1,0,1]=4 7997 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [1,1,0,0,0,0|1,0,1]=4 7998 B11R0.148 COCCCCOCCC(C)Br 34a_100009893172_100000755781 [1,1,0,0,0,0|1,0,1]=4 7999 B11R0.148 COCCCCOCCC(C)C 34a_100000210254_100000755781 [1,1,0,0,0,0|1,0,1]=4 8000 B11R0.148 COCCCCOCCC(C)C 34a_100000740925_100000210312 [1,1,0,0,0,0|1,0,1]=4 8001 B11R0.148 COCCCCOCCC(C)C 7a_100000210254_100000730899 [1,1,0,0,0,0|1,0,1]=4 8002 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [1,1,0,0,0,0|1,0,1]=4 8003 B11R0.148 COCCCCOCC[C@@H](C)N 34a_100000706166_100000755781 [1,1,0,0,0,0|1,0,1]=4 8004 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [1,1,0,0,0,0|1,0,1]=4 8005 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [1,1,0,0,0,0|1,0,1]=4 8006 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [1,1,0,0,0,0|1,0,1]=4 8007 B11R0.148 CSCCCCOCCC(C)C 34a_100011217163_100000210312 [1,1,0,0,0,0|1,0,1]=4 8008 B11R0.148 CSCCCCOCCC(C)C 7a_100011217163_100000210626 [1,1,0,0,0,0|1,0,1]=4 8009 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [1,1,0,0,0,0|1,0,1]=4 8010 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [1,1,0,0,0,0|1,0,1]=4 8011 B11R0.148 CSCCOCCCCC(C)C 34a_100000230434_100011216152 [1,1,0,0,0,0|1,0,1]=4 8012 B11R0.148 CSCCOCCCCC(C)C 34a_100011214890_100000212216 [1,1,0,0,0,0|1,0,1]=4 8013 B11R0.148 CSCCOCCCCC(C)C 7a_100000230434_100011216152 [1,1,0,0,0,0|1,0,1]=4 8014 B11R0.148 CSCCOCCCCC(C)C 7a_100011214890_100000212216 [1,1,0,0,0,0|1,0,1]=4 8015 B11R0.148 C[C@@H](N)CCOCCCCCF 34a_100000706166_100000729378 [1,1,0,0,0,0|1,0,1]=4 8016 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [1,1,0,0,0,0|1,0,1]=4 8017 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000692101_100011216630 [1,1,0,0,0,0|0,0,2]=4 8018 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000748435_100000753159 [1,1,0,0,0,0|0,0,2]=4 8019 B11R0.5 C/C=C/CC(=O)CC(C)CCC 1458a_100000748435_100102629194 [1,1,0,0,0,0|0,0,2]=4 8020 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [1,1,0,0,0,0|0,0,1]=3 8021 B11R0.5 C=C(CCC)CC(=O)CCCF 1458a_100000138376_100011934791 [1,1,0,0,0,0|1,0,1]=4 8022 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [1,1,0,0,0,0|1,0,1]=4 8023 B11R0.5 C=C(CCC)CC(=O)CCOC 1458a_100000138376_100000233755 [1,1,0,0,0,0|1,0,1]=4 8024 B11R0.5 C=C(CCC)CC(=O)CCSC 1458a_100000138376_100000751147 [1,1,0,0,0,0|1,0,1]=4 8025 B11R0.5 C=C(CCC)CC(=O)NCCC 11a_100020643023_100000138376 [1,1,0,0,0,0|1,0,1]=4 8026 B11R0.5 C=C(CCC)CC(=O)NCCC 240690a_100020643023_100000138376 [1,1,0,0,0,0|1,0,1]=4 8027 B11R0.5 C=C(CCC)CC(=O)NCCC 527a_100020643023_100000138376 [1,1,0,0,0,0|1,0,1]=4 8028 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000748435_100000754431 [1,1,0,0,0,0|0,0,2]=4 8029 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000749702_100011216630 [1,1,0,0,0,0|0,0,2]=4 8030 B11R0.5 CC#CCC(=O)CC(C)CCC 1458a_100000748435_100000748600 [1,1,0,0,0,0|0,0,2]=4 8031 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100000748435_100000070051 [1,1,0,0,0,0|0,0,2]=4 8032 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100121576822_100011216630 [1,1,0,0,0,0|0,0,2]=4 8033 B11R0.5 CCC#CC(=O)CC(C)CCC 1458a_100011827653_100011216630 [1,1,0,0,0,0|0,0,2]=4 8034 B11R0.5 CCC=CC(=O)CC(C)CCC 1458a_100000212282_100011216630 [1,1,0,0,0,0|0,0,2]=4 8035 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [1,1,0,0,0,0|1,0,1]=4 8036 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [1,1,0,0,0,0|1,0,1]=4 8037 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [1,1,0,0,0,0|1,0,1]=4 8038 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [1,1,0,0,0,0|1,0,1]=4 8039 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100000748435_100011215226 [1,1,0,0,0,0|1,0,1]=4 8040 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100011934036_100011216630 [1,1,0,0,0,0|1,0,1]=4 8041 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [1,1,0,0,0,0|1,0,0]=3 8042 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [1,1,0,0,0,0|1,0,0]=3 8043 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [1,1,0,0,0,0|1,0,0]=3 8044 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [1,1,0,0,0,0|1,0,0]=3 8045 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [1,1,0,0,0,0|1,0,0]=3 8046 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [1,1,0,0,0,0|1,0,0]=3 8047 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [1,1,0,0,0,0|1,0,0]=3 8048 B11R0.5 CCCC(C)CC(=O)CSCC 1458a_100000230394_100011216630 [1,1,0,0,0,0|1,0,0]=3 8049 B11R0.5 CCCC(C)CC(=O)NCCF 11a_100000724931_100000748435 [1,1,0,0,0,0|2,0,0]=4 8050 B11R0.5 CCCC(C)CC(=O)NCCF 1626a_100000724931_100000748435 [1,1,0,0,0,0|2,0,0]=4 8051 B11R0.5 CCCC(C)CC(=O)NCCF 240690a_100000724931_100000748435 [1,1,0,0,0,0|2,0,0]=4 8052 B11R0.5 CCCC(C)CC(=O)NCCF 527a_100000724931_100000748435 [1,1,0,0,0,0|2,0,0]=4 8053 B11R0.5 CCCC(C)CC(=O)NCCO 240690a_100000210304_100000748435 [1,1,0,0,0,0|2,0,0]=4 8054 B11R0.5 CCCC(C)CC(=O)NCCO 527a_100000210304_100000748435 [1,1,0,0,0,0|2,0,0]=4 8055 B11R0.5 CCCC(C)CC(=O)NNCC 22a_100000756455_100000748435 [1,1,0,0,0,0|2,0,0]=4 8056 B11R0.5 CCCC(C)NC(=O)CCOC 11a_100000741246_100000749529 [1,1,0,0,0,0|2,0,0]=4 8057 B11R0.5 CCCC(C)NC(=O)CCOC 1626a_100000741246_100000749529 [1,1,0,0,0,0|2,0,0]=4 8058 B11R0.5 CCCC(C)NC(=O)CCOC 240690a_100000741246_100000749529 [1,1,0,0,0,0|2,0,0]=4 8059 B11R0.5 CCCC(C)NC(=O)CCOC 527a_100000741246_100000749529 [1,1,0,0,0,0|2,0,0]=4 8060 B11R0.5 CCCC(C)NC(=O)CCSC 11a_100000741246_100000174002 [1,1,0,0,0,0|2,0,0]=4 8061 B11R0.5 CCCC(C)NC(=O)CCSC 1626a_100000741246_100000174002 [1,1,0,0,0,0|2,0,0]=4 8062 B11R0.5 CCCC(C)NC(=O)CCSC 240690a_100000741246_100000174002 [1,1,0,0,0,0|2,0,0]=4 8063 B11R0.5 CCCC(C)NC(=O)CCSC 527a_100000741246_100000174002 [1,1,0,0,0,0|2,0,0]=4 8064 B11R0.5 CCCC(C)NC(=O)COCC 11a_100000741246_100000211967 [1,1,0,0,0,0|2,0,0]=4 8065 B11R0.5 CCCC(C)NC(=O)COCC 1626a_100000741246_100000211967 [1,1,0,0,0,0|2,0,0]=4 8066 B11R0.5 CCCC(C)NC(=O)COCC 240690a_100000741246_100000211967 [1,1,0,0,0,0|2,0,0]=4 8067 B11R0.5 CCCC(C)NC(=O)COCC 527a_100000741246_100000211967 [1,1,0,0,0,0|2,0,0]=4 8068 B11R0.5 CCCC(C)NC(=O)CSCC 11a_100000741246_100000230394 [1,1,0,0,0,0|2,0,0]=4 8069 B11R0.5 CCCC(C)NC(=O)CSCC 1626a_100000741246_100000230394 [1,1,0,0,0,0|2,0,0]=4 8070 B11R0.5 CCCC(C)NC(=O)CSCC 240690a_100000741246_100000230394 [1,1,0,0,0,0|2,0,0]=4 8071 B11R0.5 CCCC(C)NC(=O)CSCC 527a_100000741246_100000230394 [1,1,0,0,0,0|2,0,0]=4 8072 B11R0.5 CCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210211 [1,1,0,0,0,0|0,0,2]=4 8073 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [1,1,0,0,0,0|0,0,1]=3 8074 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [1,1,0,0,0,0|1,0,1]=4 8075 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [1,1,0,0,0,0|1,0,1]=4 8076 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [1,1,0,0,0,0|1,0,1]=4 8077 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [1,1,0,0,0,0|0,0,0]=2 8078 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [1,1,0,0,0,0|0,0,0]=2 8079 B11R0.5 CCCCC(=O)CC(C)SCC 1458a_200011311441_100000210211 [1,1,0,0,0,0|1,0,0]=3 8080 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [1,1,0,0,0,0|1,0,0]=3 8081 B11R0.5 CCCCC(=O)NC(C)CCC 11a_100000741246_100000210183 [1,1,0,0,0,0|1,0,0]=3 8082 B11R0.5 CCCCC(=O)NC(C)CCC 1626a_100000741246_100000210183 [1,1,0,0,0,0|1,0,0]=3 8083 B11R0.5 CCCCC(=O)NC(C)CCC 240690a_100000741246_100000210183 [1,1,0,0,0,0|1,0,0]=3 8084 B11R0.5 CCCCC(=O)NC(C)CCC 527a_100000741246_100000210183 [1,1,0,0,0,0|1,0,0]=3 8085 B11R0.5 CCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210183 [1,1,0,0,0,0|2,0,0]=4 8086 B11R0.5 CCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000210183 [1,1,0,0,0,0|2,0,0]=4 8087 B11R0.5 CCCCC(=O)N[C@H](C)COC 11a_100000764878_100000210183 [1,1,0,0,0,0|2,0,0]=4 8088 B11R0.5 CCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000210183 [1,1,0,0,0,0|2,0,0]=4 8089 B11R0.5 CCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000210183 [1,1,0,0,0,0|2,0,0]=4 8090 B11R0.5 CCCCC(=O)N[C@H](C)COC 527a_100000764878_100000210183 [1,1,0,0,0,0|2,0,0]=4 8091 B11R0.5 CCCCC(C)OC(C)CCC 34a_100000687866_100000766640 [1,1,0,0,0,0|1,0,1]=4 8092 B11R0.5 CCCCC(C)OC(C)CCC 34a_100000764384_200011215066 [1,1,0,0,0,0|1,0,1]=4 8093 B11R0.5 CCCCC(C)OC(C)CCC 7a_100000687866_100000766640 [1,1,0,0,0,0|1,0,1]=4 8094 B11R0.5 CCCCC(C)OC(C)CCC 7a_100000764384_200011215066 [1,1,0,0,0,0|1,0,1]=4 8095 B11R0.5 CCCCN(C)CC(C)CCC 2230a_100000207549_100011216630 [1,1,0,0,0,0|2,0,0]=4 8096 B11R0.5 CCCCN(C)CC(C)CCC 269982a_100000207549_100011216630 [1,1,0,0,0,0|2,0,0]=4 8097 B11R0.5 CCCCN(C)CC(C)CCC 270004a_100000207549_100000243154 [1,1,0,0,0,0|2,0,0]=4 8098 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [1,1,0,0,0,0|1,0,1]=4 8099 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [1,1,0,0,0,0|1,0,0]=3 8100 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [1,1,0,0,0,0|1,0,0]=3 8101 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [1,1,0,0,0,0|1,0,0]=3 8102 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [1,1,0,0,0,0|1,0,0]=3 8103 B11R0.5 CCCNC(=O)CC(C)SCC 11a_100020643023_200011311441 [1,1,0,0,0,0|2,0,0]=4 8104 B11R0.5 CCCNC(=O)CC(C)SCC 1626a_100020643023_200011311441 [1,1,0,0,0,0|2,0,0]=4 8105 B11R0.5 CCCNC(=O)CC(C)SCC 240690a_100020643023_200011311441 [1,1,0,0,0,0|2,0,0]=4 8106 B11R0.5 CCCNC(=O)CC(C)SCC 527a_100020643023_200011311441 [1,1,0,0,0,0|2,0,0]=4 8107 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000684209_100000210303 [1,1,0,0,0,0|2,0,0]=4 8108 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000747261_100000183358 [1,1,0,0,0,0|2,0,0]=4 8109 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000684209_100000210303 [1,1,0,0,0,0|2,0,0]=4 8110 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000747261_100000183358 [1,1,0,0,0,0|2,0,0]=4 8111 B11R0.5 CCCNC(=O)CS(=O)CCC 11a_100020643023_100011387404 [1,1,0,0,0,0|2,0,0]=4 8112 B11R0.5 CCCNC(=O)CS(=O)CCC 1626a_100020643023_100011387404 [1,1,0,0,0,0|2,0,0]=4 8113 B11R0.5 CCCNC(=O)CS(=O)CCC 240690a_100020643023_100011387404 [1,1,0,0,0,0|2,0,0]=4 8114 B11R0.5 CCCNC(=O)CS(=O)CCC 527a_100020643023_100011387404 [1,1,0,0,0,0|2,0,0]=4 8115 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100000741246_100020643023 [1,1,0,0,0,0|2,0,0]=4 8116 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100020643023_100000741246 [1,1,0,0,0,0|2,0,0]=4 8117 B11R0.5 CCCNC(=O)NC(C)CCC 273464a_100000741246_100020643023 [1,1,0,0,0,0|2,0,0]=4 8118 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100000741246_100020643023 [1,1,0,0,0,0|2,0,0]=4 8119 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100020643023_100000741246 [1,1,0,0,0,0|2,0,0]=4 8120 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [1,1,0,0,0,0|0,0,1]=3 8121 B11R0.5 CCCOC(=O)CC(=O)CCO 1458a_100011216618_200011215008 [1,1,0,0,0,0|1,0,1]=4 8122 B11R0.5 CCCOC(=O)CC(=O)COC 1458a_100000210968_200011215008 [1,1,0,0,0,0|1,0,1]=4 8123 B11R0.5 CCCOC(=O)CC(=O)CSC 1458a_100000184570_200011215008 [1,1,0,0,0,0|1,0,1]=4 8124 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [1,1,0,0,0,0|1,0,0]=3 8125 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [1,1,0,0,0,0|1,0,0]=3 8126 B11R0.5 CCCOC(=O)CN(C)CCO 2230a_100000210263_200011215008 [1,1,0,0,0,0|2,0,0]=4 8127 B11R0.5 CCCOC(=O)CN(C)CCO 269982a_100000210263_200011215008 [1,1,0,0,0,0|2,0,0]=4 8128 B11R0.5 CCCS(=O)CC(=O)CCCF 1458a_100011387404_100011934791 [1,1,0,0,0,0|2,0,0]=4 8129 B11R0.5 CCCS(=O)CC(=O)CCCO 1458a_100011387404_100011215043 [1,1,0,0,0,0|2,0,0]=4 8130 B11R0.5 CCCS(=O)CC(=O)CCOC 1458a_100011387404_100000233755 [1,1,0,0,0,0|2,0,0]=4 8131 B11R0.5 CCCS(=O)CC(=O)CCSC 1458a_100011387404_100000751147 [1,1,0,0,0,0|2,0,0]=4 8132 B11R0.5 CCSC(C)CC(=O)CCCF 1458a_200011311441_100011934791 [1,1,0,0,0,0|2,0,0]=4 8133 B11R0.5 CCSC(C)CC(=O)CCCO 1458a_200011311441_100011215043 [1,1,0,0,0,0|2,0,0]=4 8134 B11R0.5 CCSC(C)CC(=O)CCOC 1458a_200011311441_100000233755 [1,1,0,0,0,0|2,0,0]=4 8135 B11R0.5 CCSC(C)CC(=O)CCSC 1458a_200011311441_100000751147 [1,1,0,0,0,0|2,0,0]=4 8136 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000692101_200011215066 [1,1,0,0,0,0|0,0,2]=4 8137 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000725509_100000753159 [1,1,0,0,0,0|0,0,2]=4 8138 B11R0.11 C#CCCC(=O)C(O)CCCC 1458a_100000720857_100000753159 [1,1,0,0,0,0|0,0,2]=4 8139 B11R0.11 C/C=C/CC(=O)C(C)CCCC 1458a_100000725509_100102629194 [1,1,0,0,0,0|0,0,2]=4 8140 B11R0.11 C/C=C/CC(=O)C(O)CCCC 1458a_100000720857_100102629194 [1,1,0,0,0,0|0,0,2]=4 8141 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000725509_100000754431 [1,1,0,0,0,0|0,0,2]=4 8142 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000749702_200011215066 [1,1,0,0,0,0|0,0,2]=4 8143 B11R0.11 C=CCCC(=O)C(O)CCCC 1458a_100000720857_100000754431 [1,1,0,0,0,0|0,0,2]=4 8144 B11R0.11 CC#CCC(=O)C(C)CCCC 1458a_100000725509_100000748600 [1,1,0,0,0,0|0,0,2]=4 8145 B11R0.11 CC#CCC(=O)C(O)CCCC 1458a_100000720857_100000748600 [1,1,0,0,0,0|0,0,2]=4 8146 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100000725509_100000070051 [1,1,0,0,0,0|0,0,2]=4 8147 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100121576822_200011215066 [1,1,0,0,0,0|0,0,2]=4 8148 B11R0.11 CC=CCC(=O)C(O)CCCC 1458a_100000720857_100000070051 [1,1,0,0,0,0|0,0,2]=4 8149 B11R0.11 CCC#CC(=O)C(C)CCCC 1458a_100011827653_200011215066 [1,1,0,0,0,0|0,0,2]=4 8150 B11R0.11 CCC/C=C(\C)/C(=O)CCCC 1458a_200020648666_100000210211 [1,1,0,0,0,0|0,0,2]=4 8151 B11R0.11 CCC=CC(=O)C(C)CCCC 1458a_100000212282_200011215066 [1,1,0,0,0,0|0,0,2]=4 8152 B11R0.11 CCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210211 [1,1,0,0,0,0|1,0,1]=4 8153 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [1,1,0,0,0,0|0,0,0]=2 8154 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [1,1,0,0,0,0|0,0,0]=2 8155 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [1,1,0,0,0,0|0,0,0]=2 8156 B11R0.11 CCCCC(=O)C(O)CCSC 1458a_100000685904_100000210211 [1,1,0,0,0,0|1,0,0]=3 8157 B11R0.11 CCCCC(=O)N(C)CCCC 11a_100000207549_100000210183 [1,1,0,0,0,0|1,0,0]=3 8158 B11R0.11 CCCCC(=O)N(C)CCCC 1626a_100000207549_100000210183 [1,1,0,0,0,0|1,0,0]=3 8159 B11R0.11 CCCCC(=O)N(C)CCCC 240690a_100000207549_100000210183 [1,1,0,0,0,0|1,0,0]=3 8160 B11R0.11 CCCCC(=O)N(C)CCCC 527a_100000207549_100000210183 [1,1,0,0,0,0|1,0,0]=3 8161 B11R0.11 CCCCC(=O)N(C)CCCO 240690a_100000213112_100000210183 [1,1,0,0,0,0|2,0,0]=4 8162 B11R0.11 CCCCC(=O)N(C)CCCO 527a_100000213112_100000210183 [1,1,0,0,0,0|2,0,0]=4 8163 B11R0.11 CCCCC(=O)N(C)CCOC 11a_100000743101_100000210183 [1,1,0,0,0,0|2,0,0]=4 8164 B11R0.11 CCCCC(=O)N(C)CCOC 1626a_100000743101_100000210183 [1,1,0,0,0,0|2,0,0]=4 8165 B11R0.11 CCCCC(=O)N(C)CCOC 240690a_100000743101_100000210183 [1,1,0,0,0,0|2,0,0]=4 8166 B11R0.11 CCCCC(=O)N(C)CCOC 527a_100000743101_100000210183 [1,1,0,0,0,0|2,0,0]=4 8167 B11R0.11 CCCCC(=O)N(C)CCSC 11a_100000686725_100000210183 [1,1,0,0,0,0|2,0,0]=4 8168 B11R0.11 CCCCC(=O)N(C)CCSC 1626a_100000686725_100000210183 [1,1,0,0,0,0|2,0,0]=4 8169 B11R0.11 CCCCC(=O)N(C)CCSC 240690a_100000686725_100000210183 [1,1,0,0,0,0|2,0,0]=4 8170 B11R0.11 CCCCC(=O)N(C)CCSC 527a_100000686725_100000210183 [1,1,0,0,0,0|2,0,0]=4 8171 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100000725509_100011215226 [1,1,0,0,0,0|1,0,1]=4 8172 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100011934036_200011215066 [1,1,0,0,0,0|1,0,1]=4 8173 B11R0.11 CCCCC(C)C(=O)CCCF 1458a_100000725509_100011934791 [1,1,0,0,0,0|1,0,0]=3 8174 B11R0.11 CCCCC(C)C(=O)CCCO 1458a_100000725509_100011215043 [1,1,0,0,0,0|1,0,0]=3 8175 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000725509_100000233755 [1,1,0,0,0,0|1,0,0]=3 8176 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000749529_200011215066 [1,1,0,0,0,0|1,0,0]=3 8177 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000174002_200011215066 [1,1,0,0,0,0|1,0,0]=3 8178 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000725509_100000751147 [1,1,0,0,0,0|1,0,0]=3 8179 B11R0.11 CCCCC(C)C(=O)COCC 1458a_100000211967_200011215066 [1,1,0,0,0,0|1,0,0]=3 8180 B11R0.11 CCCCC(C)C(=O)CSCC 1458a_100000230394_200011215066 [1,1,0,0,0,0|1,0,0]=3 8181 B11R0.11 CCCCC(C)C(=O)NCCC 11a_100020643023_100000725509 [1,1,0,0,0,0|1,0,0]=3 8182 B11R0.11 CCCCC(C)C(=O)NCCC 1626a_100020643023_100000725509 [1,1,0,0,0,0|1,0,0]=3 8183 B11R0.11 CCCCC(C)C(=O)NCCC 240690a_100020643023_100000725509 [1,1,0,0,0,0|1,0,0]=3 8184 B11R0.11 CCCCC(C)C(=O)NCCC 527a_100020643023_100000725509 [1,1,0,0,0,0|1,0,0]=3 8185 B11R0.11 CCCCC(C)C(=O)NCCF 11a_100000724931_100000725509 [1,1,0,0,0,0|2,0,0]=4 8186 B11R0.11 CCCCC(C)C(=O)NCCF 1626a_100000724931_100000725509 [1,1,0,0,0,0|2,0,0]=4 8187 B11R0.11 CCCCC(C)C(=O)NCCF 240690a_100000724931_100000725509 [1,1,0,0,0,0|2,0,0]=4 8188 B11R0.11 CCCCC(C)C(=O)NCCF 527a_100000724931_100000725509 [1,1,0,0,0,0|2,0,0]=4 8189 B11R0.11 CCCCC(C)C(=O)NCCO 240690a_100000210304_100000725509 [1,1,0,0,0,0|2,0,0]=4 8190 B11R0.11 CCCCC(C)C(=O)NCCO 527a_100000210304_100000725509 [1,1,0,0,0,0|2,0,0]=4 8191 B11R0.11 CCCCC(C)C(=O)NNCC 22a_100000756455_100000725509 [1,1,0,0,0,0|2,0,0]=4 8192 B11R0.11 CCCCC(C)N(C)CCCC 2230a_100000207549_200011215066 [1,1,0,0,0,0|2,0,0]=4 8193 B11R0.11 CCCCC(C)N(C)CCCC 269982a_100000207549_200011215066 [1,1,0,0,0,0|2,0,0]=4 8194 B11R0.11 CCCCC(C)N(C)CCCC 270004a_100000207549_100000210087 [1,1,0,0,0,0|2,0,0]=4 8195 B11R0.11 CCCCC(O)C(=O)CCC#N 1458a_100000720857_100011215226 [1,1,0,0,0,0|1,0,1]=4 8196 B11R0.11 CCCCC(O)C(=O)CCCF 1458a_100000720857_100011934791 [1,1,0,0,0,0|1,0,0]=3 8197 B11R0.11 CCCCC(O)C(=O)CCCO 1458a_100000720857_100011215043 [1,1,0,0,0,0|1,0,0]=3 8198 B11R0.11 CCCCC(O)C(=O)CCOC 1458a_100000720857_100000233755 [1,1,0,0,0,0|1,0,0]=3 8199 B11R0.11 CCCCC(O)C(=O)CCSC 1458a_100000720857_100000751147 [1,1,0,0,0,0|1,0,0]=3 8200 B11R0.11 CCCCC(O)C(=O)NCCC 240690a_100020643023_100000720857 [1,1,0,0,0,0|1,0,0]=3 8201 B11R0.11 CCCCC(O)C(=O)NCCC 527a_100020643023_100000720857 [1,1,0,0,0,0|1,0,0]=3 8202 B11R0.11 CCCCC(O)C(=O)NCCF 240690a_100000724931_100000720857 [1,1,0,0,0,0|2,0,0]=4 8203 B11R0.11 CCCCC(O)C(=O)NCCF 527a_100000724931_100000720857 [1,1,0,0,0,0|2,0,0]=4 8204 B11R0.11 CCCCC(O)C(=O)NCCO 240690a_100000210304_100000720857 [1,1,0,0,0,0|2,0,0]=4 8205 B11R0.11 CCCCC(O)C(=O)NCCO 527a_100000210304_100000720857 [1,1,0,0,0,0|2,0,0]=4 8206 B11R0.11 CCCCC(O)C(=O)NNCC 22a_100000756455_100000720857 [1,1,0,0,0,0|2,0,0]=4 8207 B11R0.11 CCCCN(C)C(=O)CCOC 11a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 8208 B11R0.11 CCCCN(C)C(=O)CCOC 1626a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 8209 B11R0.11 CCCCN(C)C(=O)CCOC 240690a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 8210 B11R0.11 CCCCN(C)C(=O)CCOC 527a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 8211 B11R0.11 CCCCN(C)C(=O)CCSC 11a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 8212 B11R0.11 CCCCN(C)C(=O)CCSC 1626a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 8213 B11R0.11 CCCCN(C)C(=O)CCSC 240690a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 8214 B11R0.11 CCCCN(C)C(=O)CCSC 527a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 8215 B11R0.11 CCCCN(C)C(=O)CNCC 2230a_100015525214_100000230175 [1,1,0,0,0,0|2,0,0]=4 8216 B11R0.11 CCCCN(C)C(=O)COCC 11a_100000207549_100000211967 [1,1,0,0,0,0|2,0,0]=4 8217 B11R0.11 CCCCN(C)C(=O)COCC 1626a_100000207549_100000211967 [1,1,0,0,0,0|2,0,0]=4 8218 B11R0.11 CCCCN(C)C(=O)COCC 240690a_100000207549_100000211967 [1,1,0,0,0,0|2,0,0]=4 8219 B11R0.11 CCCCN(C)C(=O)COCC 34a_100121572206_100000230175 [1,1,0,0,0,0|2,0,0]=4 8220 B11R0.11 CCCCN(C)C(=O)COCC 527a_100000207549_100000211967 [1,1,0,0,0,0|2,0,0]=4 8221 B11R0.11 CCCCN(C)C(=O)CSCC 11a_100000207549_100000230394 [1,1,0,0,0,0|2,0,0]=4 8222 B11R0.11 CCCCN(C)C(=O)CSCC 1626a_100000207549_100000230394 [1,1,0,0,0,0|2,0,0]=4 8223 B11R0.11 CCCCN(C)C(=O)CSCC 240690a_100000207549_100000230394 [1,1,0,0,0,0|2,0,0]=4 8224 B11R0.11 CCCCN(C)C(=O)CSCC 527a_100000207549_100000230394 [1,1,0,0,0,0|2,0,0]=4 8225 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000210202_100000230175 [1,1,0,0,0,0|2,0,0]=4 8226 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000230175_100000210202 [1,1,0,0,0,0|2,0,0]=4 8227 B11R0.11 CCCCN(C)C(=O)NCCC 2708a_100020643023_100000207549 [1,1,0,0,0,0|2,0,0]=4 8228 B11R0.11 CCCCN(C)C(=O)NCCC 273464a_100020643023_100000207549 [1,1,0,0,0,0|2,0,0]=4 8229 B11R0.11 CCCNC(=O)C(C)NCCC 2230a_100025744714_100000210303 [1,1,0,0,0,0|2,0,0]=4 8230 B11R0.11 CCCNC(=O)C(C)NCCC 34a_100025744714_100000210303 [1,1,0,0,0,0|2,0,0]=4 8231 B11R0.11 CCCNC(=O)C(C)OCCC 34a_100000210258_100000230305 [1,1,0,0,0,0|2,0,0]=4 8232 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000210303_100000230305 [1,1,0,0,0,0|2,0,0]=4 8233 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000230305_100000210303 [1,1,0,0,0,0|2,0,0]=4 8234 B11R0.11 CCCNC(=O)C(O)CCSC 240690a_100020643023_100000685904 [1,1,0,0,0,0|2,0,0]=4 8235 B11R0.11 CCCOC(=O)C(C)NCCF 34a_100000724931_100000760410 [1,1,0,0,0,0|2,0,0]=4 8236 B11R0.11 CCCOC(=O)C(C)NCCO 2230a_100016997473_100000760410 [1,1,0,0,0,0|2,0,0]=4 8237 B11R0.11 CCCOC(=O)C(C)NCCO 34a_100016990907_100000760410 [1,1,0,0,0,0|2,0,0]=4 8238 B11R0.11 CCCOC(=O)C(C)OCCBr 34a_100000211926_100000760410 [1,1,0,0,0,0|2,0,0]=4 8239 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000037348_100000210303 [1,1,0,0,0,0|1,0,0]=3 8240 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000210258_100000760410 [1,1,0,0,0,0|1,0,0]=3 8241 B11R0.11 CCCOC(=O)C(C)OCCC 7a_100000037348_100000210303 [1,1,0,0,0,0|1,0,0]=3 8242 B11R0.11 CCCOC(=O)C(C)OCCF 34a_100000037348_100011217306 [1,1,0,0,0,0|2,0,0]=4 8243 B11R0.11 CCCOC(=O)C(C)OCCF 7a_100000037348_100011217306 [1,1,0,0,0,0|2,0,0]=4 8244 B11R0.11 CCCOC(=O)C(C)OCCN 34a_100000210304_100000760410 [1,1,0,0,0,0|2,0,0]=4 8245 B11R0.11 CCCOC(=O)C(C)OCCO 34a_100000037348_100000211926 [1,1,0,0,0,0|2,0,0]=4 8246 B11R0.11 CCCOC(=O)C(C)OCCO 7a_100000037348_100000211926 [1,1,0,0,0,0|2,0,0]=4 8247 B11R0.11 CCCOC(=O)C(C)OCSC 34a_100000037348_100011218213 [1,1,0,0,0,0|2,0,0]=4 8248 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000210303_100000760410 [1,1,0,0,0,0|1,0,0]=3 8249 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000760410_100000210303 [1,1,0,0,0,0|1,0,0]=3 8250 B11R0.11 CCCOC(=O)C(C)SCCF 62a_100000760410_100011217306 [1,1,0,0,0,0|2,0,0]=4 8251 B11R0.11 CCCOC(=O)C(C)SCCF 62a_100011217306_100000760410 [1,1,0,0,0,0|2,0,0]=4 8252 B11R0.11 CCCOC(=O)C(C)SCCO 62a_100000211926_100000760410 [1,1,0,0,0,0|2,0,0]=4 8253 B11R0.11 CCCOC(=O)C(C)SCCO 62a_100000760410_100000211926 [1,1,0,0,0,0|2,0,0]=4 8254 B11R0.11 CCCOC(=O)C(C)SCOC 62a_100000760410_100000766300 [1,1,0,0,0,0|2,0,0]=4 8255 B11R0.11 CCCOC(=O)C(C)SCOC 62a_100000766300_100000760410 [1,1,0,0,0,0|2,0,0]=4 8256 B11R0.11 CCCOC(=O)C(C)SCSC 62a_100000760410_100011218213 [1,1,0,0,0,0|2,0,0]=4 8257 B11R0.11 CCCOC(=O)C(C)SCSC 62a_100011218213_100000760410 [1,1,0,0,0,0|2,0,0]=4 8258 B11R0.11 COCCC(=O)C(O)CCSC 1458a_100000685904_100000233755 [1,1,0,0,0,0|2,0,0]=4 8259 B11R0.11 CSCCC(=O)C(O)CCSC 1458a_100000685904_100000751147 [1,1,0,0,0,0|2,0,0]=4 8260 B11R0.11 CSCCC(O)C(=O)CCCF 1458a_100000685904_100011934791 [1,1,0,0,0,0|2,0,0]=4 8261 B11R0.11 CSCCC(O)C(=O)CCCO 1458a_100000685904_100011215043 [1,1,0,0,0,0|2,0,0]=4 8262 B11R0.46 C#CCCCC(=O)CCC(C)C 1458a_100000181311_100000731252 [1,1,0,0,0,0|0,0,2]=4 8263 B11R0.46 C#CCCCC(=O)CCC(C)C 1458a_100000690238_100000210312 [1,1,0,0,0,0|0,0,2]=4 8264 B11R0.46 C#CCCCC(=O)CCC(C)O 1458a_100000690238_100012276601 [1,1,0,0,0,0|0,0,2]=4 8265 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [1,1,0,0,0,0|0,0,1]=3 8266 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [1,1,0,0,0,0|0,0,1]=3 8267 B11R0.46 C=C(C)CCC(=O)CCCCF 1458a_200000688413_100000729493 [1,1,0,0,0,0|1,0,1]=4 8268 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_100000695505_100000730704 [1,1,0,0,0,0|1,0,1]=4 8269 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_200000688413_100000210776 [1,1,0,0,0,0|1,0,1]=4 8270 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_100000741012_100000730704 [1,1,0,0,0,0|1,0,1]=4 8271 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_200000688413_100000740836 [1,1,0,0,0,0|1,0,1]=4 8272 B11R0.46 C=C(C)CCC(=O)CCCSC 1458a_100000173376_100000730704 [1,1,0,0,0,0|1,0,1]=4 8273 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_100000749530_100000730704 [1,1,0,0,0,0|1,0,1]=4 8274 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_200000688413_100011215890 [1,1,0,0,0,0|1,0,1]=4 8275 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_100000230768_100000730704 [1,1,0,0,0,0|1,0,1]=4 8276 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_200000688413_100000757381 [1,1,0,0,0,0|1,0,1]=4 8277 B11R0.46 C=C(C)CCC(=O)COCCC 1458a_100000745993_100000730704 [1,1,0,0,0,0|1,0,1]=4 8278 B11R0.46 C=C(C)CCC(=O)CSCCC 1458a_100000217233_100000730704 [1,1,0,0,0,0|1,0,1]=4 8279 B11R0.46 C=C(C)CCC(=O)NCCCC 11a_100000102301_200000688413 [1,1,0,0,0,0|1,0,1]=4 8280 B11R0.46 C=C(C)CCC(=O)NCCCC 1626a_100000102301_200000688413 [1,1,0,0,0,0|1,0,1]=4 8281 B11R0.46 C=C(C)CCC(=O)NCCCC 240690a_100000102301_200000688413 [1,1,0,0,0,0|1,0,1]=4 8282 B11R0.46 C=C(C)CCC(=O)NCCCC 527a_100000102301_200000688413 [1,1,0,0,0,0|1,0,1]=4 8283 B11R0.46 C=C(C)CNC(=O)CCCCC 11a_100000765925_100000212188 [1,1,0,0,0,0|1,0,1]=4 8284 B11R0.46 C=C(C)CNC(=O)CCCCC 1626a_100000765925_100000212188 [1,1,0,0,0,0|1,0,1]=4 8285 B11R0.46 C=C(C)CNC(=O)CCCCC 240690a_100000765925_100000212188 [1,1,0,0,0,0|1,0,1]=4 8286 B11R0.46 C=C(C)CNC(=O)CCCCC 527a_100000765925_100000212188 [1,1,0,0,0,0|1,0,1]=4 8287 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000181311_100000757094 [1,1,0,0,0,0|0,0,2]=4 8288 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000766728_100000210312 [1,1,0,0,0,0|0,0,2]=4 8289 B11R0.46 C=CCCCC(=O)CCC(C)O 1458a_100000766728_100012276601 [1,1,0,0,0,0|0,0,2]=4 8290 B11R0.46 CC(C)CCC(=O)CCCC#N 1458a_100000075515_100000210312 [1,1,0,0,0,0|1,0,1]=4 8291 B11R0.46 CC(C)CCC(=O)CCCC#N 1458a_100000181311_100000211468 [1,1,0,0,0,0|1,0,1]=4 8292 B11R0.46 CC(C)CCC(=O)CCCCF 1458a_100000181311_100000729493 [1,1,0,0,0,0|1,0,0]=3 8293 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000181311_100000210776 [1,1,0,0,0,0|1,0,0]=3 8294 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000695505_100000210312 [1,1,0,0,0,0|1,0,0]=3 8295 B11R0.46 CC(C)CCC(=O)COCCO 1458a_100000708028_100000210312 [1,1,0,0,0,0|2,0,0]=4 8296 B11R0.46 CC(C)CCC(=O)NCCCF 11a_100015189416_100000181311 [1,1,0,0,0,0|2,0,0]=4 8297 B11R0.46 CC(C)CCC(=O)NCCCF 1626a_100015189416_100000181311 [1,1,0,0,0,0|2,0,0]=4 8298 B11R0.46 CC(C)CCC(=O)NCCCF 240690a_100015189416_100000181311 [1,1,0,0,0,0|2,0,0]=4 8299 B11R0.46 CC(C)CCC(=O)NCCCF 527a_100015189416_100000181311 [1,1,0,0,0,0|2,0,0]=4 8300 B11R0.46 CC(C)CCC(=O)NCCCO 240690a_100000182051_100000181311 [1,1,0,0,0,0|2,0,0]=4 8301 B11R0.46 CC(C)CCC(=O)NCCCO 527a_100000182051_100000181311 [1,1,0,0,0,0|2,0,0]=4 8302 B11R0.46 CC(C)CNC(=O)CCCCO 1626a_100000210953_100000695505 [1,1,0,0,0,0|2,0,0]=4 8303 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_100011194448_200025704644 [1,1,0,0,0,0|2,0,0]=4 8304 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_200025704644_100011194448 [1,1,0,0,0,0|2,0,0]=4 8305 B11R0.46 CC(C)OCC(=O)CCCCF 1458a_100000745533_100000729493 [1,1,0,0,0,0|2,0,0]=4 8306 B11R0.46 CC(C)OCC(=O)CCCCO 1458a_100000745533_100000210776 [1,1,0,0,0,0|2,0,0]=4 8307 B11R0.46 CC(C)SCC(=O)CCCCF 1458a_100000241585_100000729493 [1,1,0,0,0,0|2,0,0]=4 8308 B11R0.46 CC(C)SCC(=O)CCCCO 1458a_100000241585_100000210776 [1,1,0,0,0,0|2,0,0]=4 8309 B11R0.46 CC(O)CCC(=O)CCCC#N 1458a_100000075515_100012276601 [1,1,0,0,0,0|1,0,1]=4 8310 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [1,1,0,0,0,0|1,0,0]=3 8311 B11R0.46 CC(O)CCC(=O)COCCO 1458a_100000708028_100012276601 [1,1,0,0,0,0|2,0,0]=4 8312 B11R0.46 CC(O)CCC(=O)NCCCF 1626a_100015189416_100000718519 [1,1,0,0,0,0|2,0,0]=4 8313 B11R0.46 CC/C=C/CC(=O)CCC(C)C 1458a_100016274230_100000210312 [1,1,0,0,0,0|0,0,2]=4 8314 B11R0.46 CC/C=C/CC(=O)CCC(C)O 1458a_100016274230_100012276601 [1,1,0,0,0,0|0,0,2]=4 8315 B11R0.46 CC/C=C\CC(=O)CCC(C)C 1458a_100000181311_100103147603 [1,1,0,0,0,0|0,0,2]=4 8316 B11R0.46 CCC#CCC(=O)CCC(C)C 1458a_100000181311_100009813939 [1,1,0,0,0,0|0,0,2]=4 8317 B11R0.46 CCCC#CC(=O)CCC(C)C 1458a_200011218047_100000210312 [1,1,0,0,0,0|0,0,2]=4 8318 B11R0.46 CCCC#CC(=O)CCC(C)O 1458a_200011218047_100012276601 [1,1,0,0,0,0|0,0,2]=4 8319 B11R0.46 CCCC=CC(=O)CCC(C)C 1458a_100000212230_100000210312 [1,1,0,0,0,0|0,0,2]=4 8320 B11R0.46 CCCC=CC(=O)CCC(C)O 1458a_100000212230_100012276601 [1,1,0,0,0,0|0,0,2]=4 8321 B11R0.46 CCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210326 [1,1,0,0,0,0|0,0,2]=4 8322 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [1,1,0,0,0,0|0,0,2]=4 8323 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [1,1,0,0,0,0|0,0,2]=4 8324 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [1,1,0,0,0,0|1,0,1]=4 8325 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [1,1,0,0,0,0|0,0,0]=2 8326 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [1,1,0,0,0,0|0,0,0]=2 8327 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [1,1,0,0,0,0|0,0,0]=2 8328 B11R0.46 CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210326 [1,1,0,0,0,0|2,0,0]=4 8329 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [1,1,0,0,0,0|1,0,0]=3 8330 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [1,1,0,0,0,0|1,0,1]=4 8331 B11R0.46 CCCCCC(=O)CNC(C)C 2230a_100138425928_200012276598 [1,1,0,0,0,0|1,0,0]=3 8332 B11R0.46 CCCCCC(=O)CNC(C)C 34a_100138425928_200012276598 [1,1,0,0,0,0|1,0,0]=3 8333 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [1,1,0,0,0,0|1,0,1]=4 8334 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [1,1,0,0,0,0|1,0,0]=3 8335 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [1,1,0,0,0,0|1,0,0]=3 8336 B11R0.46 CCCCCC(=O)COC(F)F 1458a_200000719455_100000210326 [1,1,0,0,0,0|2,0,0]=4 8337 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [1,1,0,0,0,0|1,0,1]=4 8338 B11R0.46 CCCCCC(=O)CSC(C)C 1458a_100000241585_100000210326 [1,1,0,0,0,0|1,0,0]=3 8339 B11R0.46 CCCCCC(=O)CSC(C)C 62a_100000210206_200012276598 [1,1,0,0,0,0|1,0,0]=3 8340 B11R0.46 CCCCCC(=O)CSC(C)C 62a_200012276598_100000210206 [1,1,0,0,0,0|1,0,0]=3 8341 B11R0.46 CCCCCC(=O)CSC(F)F 1458a_114828291038_100000210326 [1,1,0,0,0,0|2,0,0]=4 8342 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [1,1,0,0,0,0|1,0,0]=3 8343 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [1,1,0,0,0,0|1,0,0]=3 8344 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [1,1,0,0,0,0|1,0,0]=3 8345 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [1,1,0,0,0,0|1,0,0]=3 8346 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [1,1,0,0,0,0|1,0,0]=3 8347 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [1,1,0,0,0,0|1,0,0]=3 8348 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [1,1,0,0,0,0|1,0,0]=3 8349 B11R0.46 CCCCCC(=O)NCC(F)F 11a_100000765723_100000212188 [1,1,0,0,0,0|2,0,0]=4 8350 B11R0.46 CCCCCC(=O)NCC(F)F 1626a_100000765723_100000212188 [1,1,0,0,0,0|2,0,0]=4 8351 B11R0.46 CCCCCC(=O)NCC(F)F 240690a_100000765723_100000212188 [1,1,0,0,0,0|2,0,0]=4 8352 B11R0.46 CCCCCC(=O)NCC(F)F 527a_100000765723_100000212188 [1,1,0,0,0,0|2,0,0]=4 8353 B11R0.46 CCCCCC(=O)NNC(C)C 22a_100000741168_100000212188 [1,1,0,0,0,0|2,0,0]=4 8354 B11R0.46 CCCCCC(C)OCC(C)Br 34a_100012180447_200011218191 [1,1,0,0,0,0|1,0,1]=4 8355 B11R0.46 CCCCCC(C)OCC(C)C 34a_100000210257_200011218191 [1,1,0,0,0,0|1,0,1]=4 8356 B11R0.46 CCCCCC(C)OCC(C)C 34a_100011215632_100000210624 [1,1,0,0,0,0|1,0,1]=4 8357 B11R0.46 CCCCCC(C)OCC(C)C 7a_100011215632_100000210760 [1,1,0,0,0,0|1,0,1]=4 8358 B11R0.46 CCCCCC(C)OCC(C)F 34a_100015925927_200011218191 [1,1,0,0,0,0|1,0,1]=4 8359 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [1,1,0,0,0,0|1,0,1]=4 8360 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [1,1,0,0,0,0|1,0,1]=4 8361 B11R0.46 CCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011218191 [1,1,0,0,0,0|1,0,1]=4 8362 B11R0.46 CCCCCC(C)OC[C@@H](C)N 34a_100000737577_200011218191 [1,1,0,0,0,0|1,0,1]=4 8363 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [1,1,0,0,0,0|1,0,1]=4 8364 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [1,1,0,0,0,0|1,0,1]=4 8365 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000223495_100000210312 [1,1,0,0,0,0|2,0,0]=4 8366 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000742789_100000210326 [1,1,0,0,0,0|2,0,0]=4 8367 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000223495_100000210312 [1,1,0,0,0,0|2,0,0]=4 8368 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000742789_100000210215 [1,1,0,0,0,0|2,0,0]=4 8369 B11R0.46 CCCCCN(C)CCC(C)O 2230a_100000223495_100012276601 [1,1,0,0,0,0|2,0,0]=4 8370 B11R0.46 CCCCCN(C)CCC(C)O 269982a_100000223495_100012276601 [1,1,0,0,0,0|2,0,0]=4 8371 B11R0.46 CCCCNC(=O)CCC(C)C 11a_100000102301_100000181311 [1,1,0,0,0,0|1,0,0]=3 8372 B11R0.46 CCCCNC(=O)CCC(C)C 1626a_100000102301_100000181311 [1,1,0,0,0,0|1,0,0]=3 8373 B11R0.46 CCCCNC(=O)CCC(C)C 240690a_100000102301_100000181311 [1,1,0,0,0,0|1,0,0]=3 8374 B11R0.46 CCCCNC(=O)CCC(C)C 527a_100000102301_100000181311 [1,1,0,0,0,0|1,0,0]=3 8375 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [1,1,0,0,0,0|1,0,0]=3 8376 B11R0.46 CCCCNC(=O)CCN(C)C 11a_100000102301_100000689311 [1,1,0,0,0,0|2,0,0]=4 8377 B11R0.46 CCCCNC(=O)CCN(C)C 240690a_100000102301_100000689311 [1,1,0,0,0,0|2,0,0]=4 8378 B11R0.46 CCCCNC(=O)CCN(C)C 527a_100000102301_100000689311 [1,1,0,0,0,0|2,0,0]=4 8379 B11R0.46 CCCCNC(=O)CC[S+](C)C 11a_100000102301_100009452791 [1,1,0,0,0,0|2,0,0]=4 8380 B11R0.46 CCCCNC(=O)CC[S+](C)C 1626a_100000102301_100009452791 [1,1,0,0,0,0|2,0,0]=4 8381 B11R0.46 CCCCNC(=O)CC[S+](C)C 240690a_100000102301_100009452791 [1,1,0,0,0,0|2,0,0]=4 8382 B11R0.46 CCCCNC(=O)CNC(C)C 2230a_100138425928_100000182744 [1,1,0,0,0,0|2,0,0]=4 8383 B11R0.46 CCCCNC(=O)CNC(C)C 34a_100138425928_100000182744 [1,1,0,0,0,0|2,0,0]=4 8384 B11R0.46 CCCCNC(=O)COC(C)C 11a_100000102301_100000745533 [1,1,0,0,0,0|2,0,0]=4 8385 B11R0.46 CCCCNC(=O)COC(C)C 1626a_100000102301_100000745533 [1,1,0,0,0,0|2,0,0]=4 8386 B11R0.46 CCCCNC(=O)COC(C)C 240690a_100000102301_100000745533 [1,1,0,0,0,0|2,0,0]=4 8387 B11R0.46 CCCCNC(=O)COC(C)C 34a_100000212225_100000182744 [1,1,0,0,0,0|2,0,0]=4 8388 B11R0.46 CCCCNC(=O)COC(C)C 527a_100000102301_100000745533 [1,1,0,0,0,0|2,0,0]=4 8389 B11R0.46 CCCCNC(=O)CSC(C)C 11a_100000102301_100000241585 [1,1,0,0,0,0|2,0,0]=4 8390 B11R0.46 CCCCNC(=O)CSC(C)C 1626a_100000102301_100000241585 [1,1,0,0,0,0|2,0,0]=4 8391 B11R0.46 CCCCNC(=O)CSC(C)C 240690a_100000102301_100000241585 [1,1,0,0,0,0|2,0,0]=4 8392 B11R0.46 CCCCNC(=O)CSC(C)C 527a_100000102301_100000241585 [1,1,0,0,0,0|2,0,0]=4 8393 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000182744_100000210206 [1,1,0,0,0,0|2,0,0]=4 8394 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000210206_100000182744 [1,1,0,0,0,0|2,0,0]=4 8395 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000102301_100000210953 [1,1,0,0,0,0|2,0,0]=4 8396 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000210953_100000102301 [1,1,0,0,0,0|2,0,0]=4 8397 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000102301_100000210953 [1,1,0,0,0,0|2,0,0]=4 8398 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000210953_100000102301 [1,1,0,0,0,0|2,0,0]=4 8399 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000102301_100000210953 [1,1,0,0,0,0|2,0,0]=4 8400 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000210953_100000102301 [1,1,0,0,0,0|2,0,0]=4 8401 B11R0.46 CCCCNC(=O)NCC(C)O 2708a_100000102301_100000210904 [1,1,0,0,0,0|2,0,0]=4 8402 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000102301_100000210904 [1,1,0,0,0,0|2,0,0]=4 8403 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000210904_100000102301 [1,1,0,0,0,0|2,0,0]=4 8404 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000102301_100000210904 [1,1,0,0,0,0|2,0,0]=4 8405 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000210904_100000102301 [1,1,0,0,0,0|2,0,0]=4 8406 B11R0.46 CCCCOC(=O)CNC(C)C 2230a_100138425928_100000211628 [1,1,0,0,0,0|1,0,0]=3 8407 B11R0.46 CCCCOC(=O)CNC(C)C 34a_100138425928_100000211628 [1,1,0,0,0,0|1,0,0]=3 8408 B11R0.46 CCCCOC(=O)COC(C)C 34a_100000212225_100000211628 [1,1,0,0,0,0|1,0,0]=3 8409 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000210206_100000211628 [1,1,0,0,0,0|1,0,0]=3 8410 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000211628_100000210206 [1,1,0,0,0,0|1,0,0]=3 8411 B11R0.46 CCCCOC(C)CCC(C)C 34a_100000210227_100011261404 [1,1,0,0,0,0|1,0,1]=4 8412 B11R0.46 CCCCOC(C)CCC(C)C 34a_100011215350_100000210210 [1,1,0,0,0,0|1,0,1]=4 8413 B11R0.46 CCCCOC(C)CCC(C)C 7a_100011215350_100000210211 [1,1,0,0,0,0|1,0,1]=4 8414 B11R0.46 CCCNNC(=O)CCC(C)C 22a_100000740057_100000181311 [1,1,0,0,0,0|2,0,0]=4 8415 B11R0.46 CCCOCC(=O)CCC(C)C 1458a_100000745993_100000210312 [1,1,0,0,0,0|1,0,0]=3 8416 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [1,1,0,0,0,0|1,0,0]=3 8417 B11R0.46 CCCOCC(=O)NCC(C)C 11a_100000210953_100000745993 [1,1,0,0,0,0|2,0,0]=4 8418 B11R0.46 CCCOCC(=O)NCC(C)C 1626a_100000210953_100000745993 [1,1,0,0,0,0|2,0,0]=4 8419 B11R0.46 CCCOCC(=O)NCC(C)C 240690a_100000210953_100000745993 [1,1,0,0,0,0|2,0,0]=4 8420 B11R0.46 CCCOCC(=O)NCC(C)C 34a_100000210258_100000183291 [1,1,0,0,0,0|2,0,0]=4 8421 B11R0.46 CCCOCC(=O)NCC(C)C 527a_100000210953_100000745993 [1,1,0,0,0,0|2,0,0]=4 8422 B11R0.46 CCCOCC(=O)NCC(C)O 11a_100000210904_100000745993 [1,1,0,0,0,0|2,0,0]=4 8423 B11R0.46 CCCOCC(=O)NCC(C)O 240690a_100000210904_100000745993 [1,1,0,0,0,0|2,0,0]=4 8424 B11R0.46 CCCOCC(=O)NCC(C)O 527a_100000210904_100000745993 [1,1,0,0,0,0|2,0,0]=4 8425 B11R0.46 CCCSCC(=O)CCC(C)C 1458a_100000217233_100000210312 [1,1,0,0,0,0|1,0,0]=3 8426 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [1,1,0,0,0,0|1,0,0]=3 8427 B11R0.46 CCCSCC(=O)NCC(C)C 11a_100000210953_100000217233 [1,1,0,0,0,0|2,0,0]=4 8428 B11R0.46 CCCSCC(=O)NCC(C)C 1626a_100000210953_100000217233 [1,1,0,0,0,0|2,0,0]=4 8429 B11R0.46 CCCSCC(=O)NCC(C)C 240690a_100000210953_100000217233 [1,1,0,0,0,0|2,0,0]=4 8430 B11R0.46 CCCSCC(=O)NCC(C)C 527a_100000210953_100000217233 [1,1,0,0,0,0|2,0,0]=4 8431 B11R0.46 CCCSCC(=O)NCC(C)C 62a_100000183291_100000210303 [1,1,0,0,0,0|2,0,0]=4 8432 B11R0.46 CCCSCC(=O)NCC(C)C 62a_100000210303_100000183291 [1,1,0,0,0,0|2,0,0]=4 8433 B11R0.46 CCCSCC(=O)NCC(C)O 11a_100000210904_100000217233 [1,1,0,0,0,0|2,0,0]=4 8434 B11R0.46 CCCSCC(=O)NCC(C)O 240690a_100000210904_100000217233 [1,1,0,0,0,0|2,0,0]=4 8435 B11R0.46 CCCSCC(=O)NCC(C)O 527a_100000210904_100000217233 [1,1,0,0,0,0|2,0,0]=4 8436 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000181311_100011215890 [1,1,0,0,0,0|1,0,0]=3 8437 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000749530_100000210312 [1,1,0,0,0,0|1,0,0]=3 8438 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [1,1,0,0,0,0|1,0,0]=3 8439 B11R0.46 CCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215890 [1,1,0,0,0,0|2,0,0]=4 8440 B11R0.46 CCOCCC(=O)COC(C)C 1458a_100000745533_100011215890 [1,1,0,0,0,0|2,0,0]=4 8441 B11R0.46 CCOCCC(=O)CSC(C)C 1458a_100000241585_100011215890 [1,1,0,0,0,0|2,0,0]=4 8442 B11R0.46 CCOCCC(=O)NCC(C)C 11a_100000210953_100000749530 [1,1,0,0,0,0|2,0,0]=4 8443 B11R0.46 CCOCCC(=O)NCC(C)C 1626a_100000210953_100000749530 [1,1,0,0,0,0|2,0,0]=4 8444 B11R0.46 CCOCCC(=O)NCC(C)C 240690a_100000210953_100000749530 [1,1,0,0,0,0|2,0,0]=4 8445 B11R0.46 CCOCCC(=O)NCC(C)C 527a_100000210953_100000749530 [1,1,0,0,0,0|2,0,0]=4 8446 B11R0.46 CCOCCC(=O)NCC(C)O 11a_100000210904_100000749530 [1,1,0,0,0,0|2,0,0]=4 8447 B11R0.46 CCOCCC(=O)NCC(C)O 240690a_100000210904_100000749530 [1,1,0,0,0,0|2,0,0]=4 8448 B11R0.46 CCOCCC(=O)NCC(C)O 527a_100000210904_100000749530 [1,1,0,0,0,0|2,0,0]=4 8449 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000181311_100000757381 [1,1,0,0,0,0|1,0,0]=3 8450 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000230768_100000210312 [1,1,0,0,0,0|1,0,0]=3 8451 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [1,1,0,0,0,0|1,0,0]=3 8452 B11R0.46 CCSCCC(=O)CC[S+](C)C 1458a_100009452791_100000757381 [1,1,0,0,0,0|2,0,0]=4 8453 B11R0.46 CCSCCC(=O)COC(C)C 1458a_100000745533_100000757381 [1,1,0,0,0,0|2,0,0]=4 8454 B11R0.46 CCSCCC(=O)CSC(C)C 1458a_100000241585_100000757381 [1,1,0,0,0,0|2,0,0]=4 8455 B11R0.46 CCSCCC(=O)NCC(C)C 11a_100000210953_100000230768 [1,1,0,0,0,0|2,0,0]=4 8456 B11R0.46 CCSCCC(=O)NCC(C)C 1626a_100000210953_100000230768 [1,1,0,0,0,0|2,0,0]=4 8457 B11R0.46 CCSCCC(=O)NCC(C)C 240690a_100000210953_100000230768 [1,1,0,0,0,0|2,0,0]=4 8458 B11R0.46 CCSCCC(=O)NCC(C)C 527a_100000210953_100000230768 [1,1,0,0,0,0|2,0,0]=4 8459 B11R0.46 CCSCCC(=O)NCC(C)O 11a_100000210904_100000230768 [1,1,0,0,0,0|2,0,0]=4 8460 B11R0.46 CCSCCC(=O)NCC(C)O 240690a_100000210904_100000230768 [1,1,0,0,0,0|2,0,0]=4 8461 B11R0.46 CCSCCC(=O)NCC(C)O 527a_100000210904_100000230768 [1,1,0,0,0,0|2,0,0]=4 8462 B11R0.46 CNCCCC(=O)NCC(C)C 2230a_106832991635_100011194448 [1,1,0,0,0,0|2,0,0]=4 8463 B11R0.46 CNCCCC(=O)NCC(C)C 34a_100102657272_100011194448 [1,1,0,0,0,0|2,0,0]=4 8464 B11R0.46 CNCCCC(=O)NCC(C)C 7a_106832991635_100011194448 [1,1,0,0,0,0|2,0,0]=4 8465 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000181311_100000740836 [1,1,0,0,0,0|1,0,0]=3 8466 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000741012_100000210312 [1,1,0,0,0,0|1,0,0]=3 8467 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [1,1,0,0,0,0|1,0,0]=3 8468 B11R0.46 COCCCC(=O)CC[S+](C)C 1458a_100009452791_100000740836 [1,1,0,0,0,0|2,0,0]=4 8469 B11R0.46 COCCCC(=O)COC(C)C 1458a_100000745533_100000740836 [1,1,0,0,0,0|2,0,0]=4 8470 B11R0.46 COCCCC(=O)CSC(C)C 1458a_100000241585_100000740836 [1,1,0,0,0,0|2,0,0]=4 8471 B11R0.46 COCCCC(=O)NCC(C)C 11a_100000210953_100000741012 [1,1,0,0,0,0|2,0,0]=4 8472 B11R0.46 COCCCC(=O)NCC(C)C 1626a_100000210953_100000741012 [1,1,0,0,0,0|2,0,0]=4 8473 B11R0.46 COCCCC(=O)NCC(C)C 240690a_100000210953_100000741012 [1,1,0,0,0,0|2,0,0]=4 8474 B11R0.46 COCCCC(=O)NCC(C)C 34a_100138415774_100011194448 [1,1,0,0,0,0|2,0,0]=4 8475 B11R0.46 COCCCC(=O)NCC(C)C 527a_100000210953_100000741012 [1,1,0,0,0,0|2,0,0]=4 8476 B11R0.46 COCCCC(=O)NCC(C)O 11a_100000210904_100000741012 [1,1,0,0,0,0|2,0,0]=4 8477 B11R0.46 COCCCC(=O)NCC(C)O 240690a_100000210904_100000741012 [1,1,0,0,0,0|2,0,0]=4 8478 B11R0.46 COCCCC(=O)NCC(C)O 527a_100000210904_100000741012 [1,1,0,0,0,0|2,0,0]=4 8479 B11R0.46 COCCNC(=O)CCC(C)C 1626a_100000209980_100000181311 [1,1,0,0,0,0|2,0,0]=4 8480 B11R0.46 COCCNC(=O)CCC(C)C 240690a_100000209980_100000181311 [1,1,0,0,0,0|2,0,0]=4 8481 B11R0.46 COCCNC(=O)CCC(C)C 527a_100000209980_100000181311 [1,1,0,0,0,0|2,0,0]=4 8482 B11R0.46 COCCNC(=O)CCC(C)O 1626a_100000209980_100000718519 [1,1,0,0,0,0|2,0,0]=4 8483 B11R0.46 COCCOC(=O)CNC(C)C 2230a_100138425928_200000040189 [1,1,0,0,0,0|2,0,0]=4 8484 B11R0.46 COCCOC(=O)CNC(C)C 34a_100138425928_200000040189 [1,1,0,0,0,0|2,0,0]=4 8485 B11R0.46 COCCOC(=O)COC(C)C 34a_100000212225_200000040189 [1,1,0,0,0,0|2,0,0]=4 8486 B11R0.46 COCCOC(=O)CSC(C)C 62a_100000210206_200000040189 [1,1,0,0,0,0|2,0,0]=4 8487 B11R0.46 COCCOC(=O)CSC(C)C 62a_200000040189_100000210206 [1,1,0,0,0,0|2,0,0]=4 8488 B11R0.46 CSCCCC(=O)CCC(C)C 1458a_100000173376_100000210312 [1,1,0,0,0,0|1,0,0]=3 8489 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [1,1,0,0,0,0|1,0,0]=3 8490 B11R0.46 CSCCCC(=O)NCC(C)C 11a_100000210953_100000173376 [1,1,0,0,0,0|2,0,0]=4 8491 B11R0.46 CSCCCC(=O)NCC(C)C 1626a_100000210953_100000173376 [1,1,0,0,0,0|2,0,0]=4 8492 B11R0.46 CSCCCC(=O)NCC(C)C 240690a_100000210953_100000173376 [1,1,0,0,0,0|2,0,0]=4 8493 B11R0.46 CSCCCC(=O)NCC(C)C 527a_100000210953_100000173376 [1,1,0,0,0,0|2,0,0]=4 8494 B11R0.46 CSCCCC(=O)NCC(C)C 62a_100011194448_200000210301 [1,1,0,0,0,0|2,0,0]=4 8495 B11R0.46 CSCCCC(=O)NCC(C)C 62a_200000210301_100011194448 [1,1,0,0,0,0|2,0,0]=4 8496 B11R0.46 CSCCCC(=O)NCC(C)O 11a_100000210904_100000173376 [1,1,0,0,0,0|2,0,0]=4 8497 B11R0.46 CSCCCC(=O)NCC(C)O 240690a_100000210904_100000173376 [1,1,0,0,0,0|2,0,0]=4 8498 B11R0.46 CSCCCC(=O)NCC(C)O 527a_100000210904_100000173376 [1,1,0,0,0,0|2,0,0]=4 8499 B11R0.46 CSCCNC(=O)CCC(C)C 11a_100020590264_100000181311 [1,1,0,0,0,0|2,0,0]=4 8500 B11R0.46 CSCCNC(=O)CCC(C)C 1626a_100020590264_100000181311 [1,1,0,0,0,0|2,0,0]=4 8501 B11R0.46 CSCCNC(=O)CCC(C)C 240690a_100020590264_100000181311 [1,1,0,0,0,0|2,0,0]=4 8502 B11R0.46 CSCCNC(=O)CCC(C)C 527a_100020590264_100000181311 [1,1,0,0,0,0|2,0,0]=4 8503 B11R0.46 CSCCNC(=O)CCC(C)O 1626a_100020590264_100000718519 [1,1,0,0,0,0|2,0,0]=4 8504 B11R0.46 C[S+](C)CCC(=O)CCCCF 1458a_100009452791_100000729493 [1,1,0,0,0,0|2,0,0]=4 8505 B11R0.46 C[S+](C)CCC(=O)CCCCO 1458a_100009452791_100000210776 [1,1,0,0,0,0|2,0,0]=4 8506 B11R0.70 C#CCCC(=O)CCC(C)CC 1458a_100000701222_100000753159 [1,1,0,0,0,0|0,0,2]=4 8507 B11R0.70 C/C=C/CC(=O)CCC(C)CC 1458a_100000701222_100102629194 [1,1,0,0,0,0|0,0,2]=4 8508 B11R0.70 C=CCCC(=O)CCC(C)CC 1458a_100000701222_100000754431 [1,1,0,0,0,0|0,0,2]=4 8509 B11R0.70 CC#CCC(=O)CCC(C)CC 1458a_100000701222_100000748600 [1,1,0,0,0,0|0,0,2]=4 8510 B11R0.70 CC=CCC(=O)CCC(C)CC 1458a_100000701222_100000070051 [1,1,0,0,0,0|0,0,2]=4 8511 B11R0.70 CCC(C)CCC(=O)CCC#N 1458a_100000701222_100011215226 [1,1,0,0,0,0|1,0,1]=4 8512 B11R0.70 CCC(C)CCC(=O)CCCF 1458a_100000701222_100011934791 [1,1,0,0,0,0|1,0,0]=3 8513 B11R0.70 CCC(C)CCC(=O)CCCO 1458a_100000701222_100011215043 [1,1,0,0,0,0|1,0,0]=3 8514 B11R0.70 CCC(C)CCC(=O)CCOC 1458a_100000701222_100000233755 [1,1,0,0,0,0|1,0,0]=3 8515 B11R0.70 CCC(C)CCC(=O)CCSC 1458a_100000701222_100000751147 [1,1,0,0,0,0|1,0,0]=3 8516 B11R0.70 CCC(C)CCC(=O)NCCF 11a_100000724931_100000701222 [1,1,0,0,0,0|2,0,0]=4 8517 B11R0.70 CCC(C)CCC(=O)NCCF 1626a_100000724931_100000701222 [1,1,0,0,0,0|2,0,0]=4 8518 B11R0.70 CCC(C)CCC(=O)NCCF 240690a_100000724931_100000701222 [1,1,0,0,0,0|2,0,0]=4 8519 B11R0.70 CCC(C)CCC(=O)NCCF 527a_100000724931_100000701222 [1,1,0,0,0,0|2,0,0]=4 8520 B11R0.70 CCC(C)CCC(=O)NCCO 240690a_100000210304_100000701222 [1,1,0,0,0,0|2,0,0]=4 8521 B11R0.70 CCC(C)CCC(=O)NCCO 527a_100000210304_100000701222 [1,1,0,0,0,0|2,0,0]=4 8522 B11R0.70 CCC(C)CNC(=O)CCOC 11a_100020588543_100000749529 [1,1,0,0,0,0|2,0,0]=4 8523 B11R0.70 CCC(C)CNC(=O)CCOC 1626a_100020588543_100000749529 [1,1,0,0,0,0|2,0,0]=4 8524 B11R0.70 CCC(C)CNC(=O)CCOC 240690a_100020588543_100000749529 [1,1,0,0,0,0|2,0,0]=4 8525 B11R0.70 CCC(C)CNC(=O)CCOC 527a_100020588543_100000749529 [1,1,0,0,0,0|2,0,0]=4 8526 B11R0.70 CCC(C)CNC(=O)CCSC 11a_100020588543_100000174002 [1,1,0,0,0,0|2,0,0]=4 8527 B11R0.70 CCC(C)CNC(=O)CCSC 1626a_100020588543_100000174002 [1,1,0,0,0,0|2,0,0]=4 8528 B11R0.70 CCC(C)CNC(=O)CCSC 240690a_100020588543_100000174002 [1,1,0,0,0,0|2,0,0]=4 8529 B11R0.70 CCC(C)CNC(=O)CCSC 527a_100020588543_100000174002 [1,1,0,0,0,0|2,0,0]=4 8530 B11R0.70 CCC(O)CCC(=O)NCCF 1626a_100000724931_203496584001 [1,1,0,0,0,0|2,0,0]=4 8531 B11R0.70 CCC(O)CCC(=O)NCCF 240690a_100000724931_203496584001 [1,1,0,0,0,0|2,0,0]=4 8532 B11R0.70 CCC(O)CCC(=O)NCCO 240690a_100000210304_203496584001 [1,1,0,0,0,0|2,0,0]=4 8533 B11R0.70 CCC(O)CNC(=O)CCOC 11a_100011218483_100000749529 [1,1,0,0,0,0|2,0,0]=4 8534 B11R0.70 CCC(O)CNC(=O)CCOC 240690a_100011218483_100000749529 [1,1,0,0,0,0|2,0,0]=4 8535 B11R0.70 CCC(O)CNC(=O)CCOC 527a_100011218483_100000749529 [1,1,0,0,0,0|2,0,0]=4 8536 B11R0.70 CCC(O)CNC(=O)CCSC 11a_100011218483_100000174002 [1,1,0,0,0,0|2,0,0]=4 8537 B11R0.70 CCC(O)CNC(=O)CCSC 240690a_100011218483_100000174002 [1,1,0,0,0,0|2,0,0]=4 8538 B11R0.70 CCC(O)CNC(=O)CCSC 527a_100011218483_100000174002 [1,1,0,0,0,0|2,0,0]=4 8539 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [1,1,0,0,0,0|1,0,1]=4 8540 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [1,1,0,0,0,0|1,0,1]=4 8541 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [1,1,0,0,0,0|0,0,0]=2 8542 B11R0.70 CCCCC(=O)CCN(C)CC 1458a_100000755305_100000210211 [1,1,0,0,0,0|1,0,0]=3 8543 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [1,1,0,0,0,0|1,0,0]=3 8544 B11R0.70 CCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210211 [1,1,0,0,0,0|1,0,1]=4 8545 B11R0.70 CCCCC(=O)NCC(C)CC 11a_100020588543_100000210183 [1,1,0,0,0,0|1,0,0]=3 8546 B11R0.70 CCCCC(=O)NCC(C)CC 1626a_100020588543_100000210183 [1,1,0,0,0,0|1,0,0]=3 8547 B11R0.70 CCCCC(=O)NCC(C)CC 240690a_100020588543_100000210183 [1,1,0,0,0,0|1,0,0]=3 8548 B11R0.70 CCCCC(=O)NCC(C)CC 527a_100020588543_100000210183 [1,1,0,0,0,0|1,0,0]=3 8549 B11R0.70 CCCCC(=O)NCC(C)CO 240690a_100000744482_100000210183 [1,1,0,0,0,0|2,0,0]=4 8550 B11R0.70 CCCCC(=O)NCC(C)CO 527a_100000744482_100000210183 [1,1,0,0,0,0|2,0,0]=4 8551 B11R0.70 CCCCC(=O)NCC(O)CC 11a_100011218483_100000210183 [1,1,0,0,0,0|1,0,0]=3 8552 B11R0.70 CCCCC(=O)NCC(O)CC 240690a_100011218483_100000210183 [1,1,0,0,0,0|1,0,0]=3 8553 B11R0.70 CCCCC(=O)NCC(O)CC 527a_100011218483_100000210183 [1,1,0,0,0,0|1,0,0]=3 8554 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210183 [1,1,0,0,0,0|2,0,0]=4 8555 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210183 [1,1,0,0,0,0|2,0,0]=4 8556 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210183 [1,1,0,0,0,0|2,0,0]=4 8557 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210183 [1,1,0,0,0,0|2,0,0]=4 8558 B11R0.70 CCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210183 [1,1,0,0,0,0|2,0,0]=4 8559 B11R0.70 CCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210183 [1,1,0,0,0,0|2,0,0]=4 8560 B11R0.70 CCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210183 [1,1,0,0,0,0|2,0,0]=4 8561 B11R0.70 CCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000210183 [1,1,0,0,0,0|2,0,0]=4 8562 B11R0.70 CCCCC(=O)NNC(C)CC 22a_100000718999_100000210183 [1,1,0,0,0,0|2,0,0]=4 8563 B11R0.70 CCCCC(C)OCC(C)CC 34a_100000687866_100000748023 [1,1,0,0,0,0|1,0,1]=4 8564 B11R0.70 CCCCC(C)OCC(C)CC 7a_100000687866_100000748023 [1,1,0,0,0,0|1,0,1]=4 8565 B11R0.70 CCCCC(C)OCC(O)CC 34a_100000687866_100011218378 [1,1,0,0,0,0|1,0,1]=4 8566 B11R0.70 CCCCC(C)OCC(O)CC 7a_100000687866_100011218378 [1,1,0,0,0,0|1,0,1]=4 8567 B11R0.70 CCCCC(C)OC[C@@H](C)CC 34a_100000687866_100009816398 [1,1,0,0,0,0|1,0,1]=4 8568 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100000687866_100009816398 [1,1,0,0,0,0|1,0,1]=4 8569 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011215066 [1,1,0,0,0,0|1,0,1]=4 8570 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [1,1,0,0,0,0|1,0,1]=4 8571 B11R0.70 CCCNC(=O)CCC(C)CC 11a_100020643023_100000701222 [1,1,0,0,0,0|1,0,0]=3 8572 B11R0.70 CCCNC(=O)CCC(C)CC 1626a_100020643023_100000701222 [1,1,0,0,0,0|1,0,0]=3 8573 B11R0.70 CCCNC(=O)CCC(C)CC 240690a_100020643023_100000701222 [1,1,0,0,0,0|1,0,0]=3 8574 B11R0.70 CCCNC(=O)CCC(C)CC 527a_100020643023_100000701222 [1,1,0,0,0,0|1,0,0]=3 8575 B11R0.70 CCCNC(=O)CCC(O)CC 1626a_100020643023_203496584001 [1,1,0,0,0,0|1,0,0]=3 8576 B11R0.70 CCCNC(=O)CCC(O)CC 240690a_100020643023_203496584001 [1,1,0,0,0,0|1,0,0]=3 8577 B11R0.70 CCCNC(=O)CCN(C)CC 240690a_100020643023_100000755305 [1,1,0,0,0,0|2,0,0]=4 8578 B11R0.70 CCCNC(=O)CCS(=O)CC 11a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 8579 B11R0.70 CCCNC(=O)CCS(=O)CC 1626a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 8580 B11R0.70 CCCNC(=O)CCS(=O)CC 240690a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 8581 B11R0.70 CCCNC(=O)CCS(=O)CC 527a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 8582 B11R0.70 CCCNC(=O)CNC(C)CC 2230a_100000174927_100000758301 [1,1,0,0,0,0|2,0,0]=4 8583 B11R0.70 CCCNC(=O)CNC(C)CC 2230a_100000209981_100000183358 [1,1,0,0,0,0|2,0,0]=4 8584 B11R0.70 CCCNC(=O)COC(C)CC 7a_100000210228_100000183358 [1,1,0,0,0,0|2,0,0]=4 8585 B11R0.70 CCCNC(=O)CSC(C)CC 62a_100000183358_100000758301 [1,1,0,0,0,0|2,0,0]=4 8586 B11R0.70 CCCNC(=O)CSC(C)CC 62a_100000758301_100000183358 [1,1,0,0,0,0|2,0,0]=4 8587 B11R0.70 CCCNC(=O)NCC(C)CC 2708a_100020588543_100020643023 [1,1,0,0,0,0|2,0,0]=4 8588 B11R0.70 CCCNC(=O)NCC(C)CC 2708a_100020643023_100020588543 [1,1,0,0,0,0|2,0,0]=4 8589 B11R0.70 CCCNC(=O)NCC(C)CC 273464a_100020588543_100020643023 [1,1,0,0,0,0|2,0,0]=4 8590 B11R0.70 CCCNC(=O)NCC(C)CC 273464a_100020643023_100020588543 [1,1,0,0,0,0|2,0,0]=4 8591 B11R0.70 CCCNC(=O)NCC(C)CC 512a_100020588543_100020643023 [1,1,0,0,0,0|2,0,0]=4 8592 B11R0.70 CCCNC(=O)NCC(C)CC 512a_100020643023_100020588543 [1,1,0,0,0,0|2,0,0]=4 8593 B11R0.70 CCCNC(=O)NCC(O)CC 2708a_100020643023_100011218483 [1,1,0,0,0,0|2,0,0]=4 8594 B11R0.70 CCCNC(=O)NCC(O)CC 273464a_100011218483_100020643023 [1,1,0,0,0,0|2,0,0]=4 8595 B11R0.70 CCCNC(=O)NCC(O)CC 273464a_100020643023_100011218483 [1,1,0,0,0,0|2,0,0]=4 8596 B11R0.70 CCCNC(=O)NCC(O)CC 512a_100011218483_100020643023 [1,1,0,0,0,0|2,0,0]=4 8597 B11R0.70 CCCOC(=O)CNC(C)CC 2230a_100000209981_200011215008 [1,1,0,0,0,0|1,0,0]=3 8598 B11R0.70 CCCOC(=O)CN[C@H](C)CO 2230a_100000737577_200011215008 [1,1,0,0,0,0|2,0,0]=4 8599 B11R0.70 CCCOC(=O)COC(C)CC 7a_100000210228_200011215008 [1,1,0,0,0,0|1,0,0]=3 8600 B11R0.70 CCCOC(=O)COC(C)CF 34a_100016041109_200011215008 [1,1,0,0,0,0|2,0,0]=4 8601 B11R0.70 CCCOC(=O)COC(C)CF 7a_100016041109_200011215008 [1,1,0,0,0,0|2,0,0]=4 8602 B11R0.70 CCCOC(=O)COC(C)CN 34a_100000210904_200011215008 [1,1,0,0,0,0|2,0,0]=4 8603 B11R0.70 CCCOC(=O)CSC(C)CC 62a_100000758301_200011215008 [1,1,0,0,0,0|1,0,0]=3 8604 B11R0.70 CCCOC(=O)CSC(C)CC 62a_200011215008_100000758301 [1,1,0,0,0,0|1,0,0]=3 8605 B11R0.70 CCCOC(=O)CSC(C)CO 62a_100012180447_200011215008 [1,1,0,0,0,0|2,0,0]=4 8606 B11R0.70 CCCOC(=O)CSC(C)OC 62a_100009879195_200011215008 [1,1,0,0,0,0|2,0,0]=4 8607 B11R0.70 CCCOC(=O)CSC(C)OC 62a_200011215008_100009879195 [1,1,0,0,0,0|2,0,0]=4 8608 B11R0.70 CCCOC(=O)CS[C@H](C)CO 62a_100016084084_200011215008 [1,1,0,0,0,0|2,0,0]=4 8609 B11R0.70 CCCOC(=O)CS[C@H](C)CO 62a_200011215008_100016084084 [1,1,0,0,0,0|2,0,0]=4 8610 B11R0.70 CCCOC(=O)OCC(=O)CC 1458a_100000210414_200000139673 [1,1,0,0,0,0|1,0,1]=4 8611 B11R0.70 CCCOC(=O)OCN(C)CC 269982a_100000225621_200000139673 [1,1,0,0,0,0|2,0,0]=4 8612 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [1,1,0,0,0,0|1,0,1]=4 8613 B11R0.70 CCN(C)CCC(=O)CCCF 1458a_100000755305_100011934791 [1,1,0,0,0,0|2,0,0]=4 8614 B11R0.70 CCN(C)CCC(=O)CCCO 1458a_100000755305_100011215043 [1,1,0,0,0,0|2,0,0]=4 8615 B11R0.70 CCN(C)CCC(=O)CCOC 1458a_100000755305_100000233755 [1,1,0,0,0,0|2,0,0]=4 8616 B11R0.70 CCN(C)CCC(=O)CCSC 1458a_100000755305_100000751147 [1,1,0,0,0,0|2,0,0]=4 8617 B11R0.70 CCNNC(=O)CCC(C)CC 22a_100000756455_100000701222 [1,1,0,0,0,0|2,0,0]=4 8618 B11R0.70 CCNNC(=O)CCC(O)CC 22a_100000756455_203496584001 [1,1,0,0,0,0|2,0,0]=4 8619 B11R0.70 CCOCC(=O)NCC(C)CC 11a_100020588543_100000211967 [1,1,0,0,0,0|2,0,0]=4 8620 B11R0.70 CCOCC(=O)NCC(C)CC 1626a_100020588543_100000211967 [1,1,0,0,0,0|2,0,0]=4 8621 B11R0.70 CCOCC(=O)NCC(C)CC 240690a_100020588543_100000211967 [1,1,0,0,0,0|2,0,0]=4 8622 B11R0.70 CCOCC(=O)NCC(C)CC 527a_100020588543_100000211967 [1,1,0,0,0,0|2,0,0]=4 8623 B11R0.70 CCOCC(=O)NCC(O)CC 11a_100011218483_100000211967 [1,1,0,0,0,0|2,0,0]=4 8624 B11R0.70 CCOCC(=O)NCC(O)CC 240690a_100011218483_100000211967 [1,1,0,0,0,0|2,0,0]=4 8625 B11R0.70 CCOCC(=O)NCC(O)CC 527a_100011218483_100000211967 [1,1,0,0,0,0|2,0,0]=4 8626 B11R0.70 CCS(=O)CCC(=O)CCCF 1458a_100011387550_100011934791 [1,1,0,0,0,0|2,0,0]=4 8627 B11R0.70 CCS(=O)CCC(=O)CCCO 1458a_100011387550_100011215043 [1,1,0,0,0,0|2,0,0]=4 8628 B11R0.70 CCS(=O)CCC(=O)CCOC 1458a_100011387550_100000233755 [1,1,0,0,0,0|2,0,0]=4 8629 B11R0.70 CCS(=O)CCC(=O)CCSC 1458a_100011387550_100000751147 [1,1,0,0,0,0|2,0,0]=4 8630 B11R0.70 CCSCC(=O)NCC(C)CC 11a_100020588543_100000230394 [1,1,0,0,0,0|2,0,0]=4 8631 B11R0.70 CCSCC(=O)NCC(C)CC 1626a_100020588543_100000230394 [1,1,0,0,0,0|2,0,0]=4 8632 B11R0.70 CCSCC(=O)NCC(C)CC 240690a_100020588543_100000230394 [1,1,0,0,0,0|2,0,0]=4 8633 B11R0.70 CCSCC(=O)NCC(C)CC 527a_100020588543_100000230394 [1,1,0,0,0,0|2,0,0]=4 8634 B11R0.70 CCSCC(=O)NCC(O)CC 11a_100011218483_100000230394 [1,1,0,0,0,0|2,0,0]=4 8635 B11R0.70 CCSCC(=O)NCC(O)CC 240690a_100011218483_100000230394 [1,1,0,0,0,0|2,0,0]=4 8636 B11R0.70 CCSCC(=O)NCC(O)CC 527a_100011218483_100000230394 [1,1,0,0,0,0|2,0,0]=4 8637 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100000692101_100011214892 [1,1,0,0,0,0|0,0,2]=4 8638 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100011216857_100000753159 [1,1,0,0,0,0|0,0,2]=4 8639 B11R0.147 C#CCCC(=O)CCCC(C)O 1458a_100000692101_200000718107 [1,1,0,0,0,0|0,0,2]=4 8640 B11R0.147 C/C=C/CC(=O)CCCC(C)C 1458a_100011216857_100102629194 [1,1,0,0,0,0|0,0,2]=4 8641 B11R0.147 C=C(C)COCC(=O)OCCC 34a_100000210245_200011215008 [1,1,0,0,0,0|1,0,1]=4 8642 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_100000748629_200011215008 [1,1,0,0,0,0|1,0,1]=4 8643 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_200011215008_100000211660 [1,1,0,0,0,0|1,0,1]=4 8644 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [1,1,0,0,0,0|0,0,2]=4 8645 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [1,1,0,0,0,0|0,0,2]=4 8646 B11R0.147 C=CCCC(=O)CCCC(C)O 1458a_100000749702_200000718107 [1,1,0,0,0,0|0,0,2]=4 8647 B11R0.147 CC#CCC(=O)CCCC(C)C 1458a_100011216857_100000748600 [1,1,0,0,0,0|0,0,2]=4 8648 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011216857_100011215226 [1,1,0,0,0,0|1,0,1]=4 8649 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011934036_100011214892 [1,1,0,0,0,0|1,0,1]=4 8650 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [1,1,0,0,0,0|1,0,0]=3 8651 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [1,1,0,0,0,0|1,0,0]=3 8652 B11R0.147 CC(C)CCCC(=O)NCCF 11a_100000724931_100011216857 [1,1,0,0,0,0|2,0,0]=4 8653 B11R0.147 CC(C)CCCC(=O)NCCF 1626a_100000724931_100011216857 [1,1,0,0,0,0|2,0,0]=4 8654 B11R0.147 CC(C)CCCC(=O)NCCF 240690a_100000724931_100011216857 [1,1,0,0,0,0|2,0,0]=4 8655 B11R0.147 CC(C)CCCC(=O)NCCF 527a_100000724931_100011216857 [1,1,0,0,0,0|2,0,0]=4 8656 B11R0.147 CC(C)CCCC(=O)NCCO 240690a_100000210304_100011216857 [1,1,0,0,0,0|2,0,0]=4 8657 B11R0.147 CC(C)CCCC(=O)NCCO 527a_100000210304_100011216857 [1,1,0,0,0,0|2,0,0]=4 8658 B11R0.147 CC(C)COCC(=O)CCCF 1458a_100011223364_100011934791 [1,1,0,0,0,0|2,0,0]=4 8659 B11R0.147 CC(C)COCC(=O)CCCO 1458a_100011223364_100011215043 [1,1,0,0,0,0|2,0,0]=4 8660 B11R0.147 CC(O)CCCC(=O)CCC#N 1458a_100011934036_200000718107 [1,1,0,0,0,0|1,0,1]=4 8661 B11R0.147 CC(O)CCCC(=O)NCCF 1626a_100000724931_100000761597 [1,1,0,0,0,0|2,0,0]=4 8662 B11R0.147 CC(O)CCCC(=O)NCCF 527a_100000724931_100000761597 [1,1,0,0,0,0|2,0,0]=4 8663 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [1,1,0,0,0,0|2,0,0]=4 8664 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100011216857_100000070051 [1,1,0,0,0,0|0,0,2]=4 8665 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100121576822_100011214892 [1,1,0,0,0,0|0,0,2]=4 8666 B11R0.147 CC=CCC(=O)CCCC(C)O 1458a_100121576822_200000718107 [1,1,0,0,0,0|0,0,2]=4 8667 B11R0.147 CCC#CC(=O)CCCC(C)C 1458a_100011827653_100011214892 [1,1,0,0,0,0|0,0,2]=4 8668 B11R0.147 CCC#CC(=O)CCCC(C)O 1458a_100011827653_200000718107 [1,1,0,0,0,0|0,0,2]=4 8669 B11R0.147 CCC=CC(=O)CCCC(C)C 1458a_100000212282_100011214892 [1,1,0,0,0,0|0,0,2]=4 8670 B11R0.147 CCC=CC(=O)CCCC(C)O 1458a_100000212282_200000718107 [1,1,0,0,0,0|0,0,2]=4 8671 B11R0.147 CCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210211 [1,1,0,0,0,0|0,0,2]=4 8672 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [1,1,0,0,0,0|0,0,2]=4 8673 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [1,1,0,0,0,0|0,0,1]=3 8674 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [1,1,0,0,0,0|1,0,1]=4 8675 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [1,1,0,0,0,0|0,0,0]=2 8676 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [1,1,0,0,0,0|0,0,0]=2 8677 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [1,1,0,0,0,0|0,0,0]=2 8678 B11R0.147 CCCCC(=O)CCCN(C)C 1458a_100000210183_100000695564 [1,1,0,0,0,0|1,0,0]=3 8679 B11R0.147 CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210211 [1,1,0,0,0,0|2,0,0]=4 8680 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [1,1,0,0,0,0|1,0,1]=4 8681 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [1,1,0,0,0,0|1,0,1]=4 8682 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [1,1,0,0,0,0|1,0,1]=4 8683 B11R0.147 CCCCC(=O)CCOC(C)C 1458a_100000210183_100000211751 [1,1,0,0,0,0|1,0,0]=3 8684 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [1,1,0,0,0,0|1,0,1]=4 8685 B11R0.147 CCCCC(=O)CCSC(C)C 1458a_100000210183_100000730970 [1,1,0,0,0,0|1,0,0]=3 8686 B11R0.147 CCCCC(=O)COCC(C)C 1458a_100011223364_100000210211 [1,1,0,0,0,0|1,0,0]=3 8687 B11R0.147 CCCCC(=O)NCCC(C)C 11a_100000210545_100000210183 [1,1,0,0,0,0|1,0,0]=3 8688 B11R0.147 CCCCC(=O)NCCC(C)C 1626a_100000210545_100000210183 [1,1,0,0,0,0|1,0,0]=3 8689 B11R0.147 CCCCC(=O)NCCC(C)C 240690a_100000210545_100000210183 [1,1,0,0,0,0|1,0,0]=3 8690 B11R0.147 CCCCC(=O)NCCC(C)C 527a_100000210545_100000210183 [1,1,0,0,0,0|1,0,0]=3 8691 B11R0.147 CCCCC(=O)NCCC(C)O 240690a_200000755665_100000210183 [1,1,0,0,0,0|1,0,0]=3 8692 B11R0.147 CCCCC(=O)NCCC(C)O 527a_200000755665_100000210183 [1,1,0,0,0,0|1,0,0]=3 8693 B11R0.147 CCCCC(=O)NCCN(C)C 240690a_100000210585_100000210183 [1,1,0,0,0,0|2,0,0]=4 8694 B11R0.147 CCCCC(=O)NCCN(C)C 527a_100000210585_100000210183 [1,1,0,0,0,0|2,0,0]=4 8695 B11R0.147 CCCCC(=O)NNCC(C)C 22a_100000696102_100000210183 [1,1,0,0,0,0|2,0,0]=4 8696 B11R0.147 CCCCC(=O)NNCC(C)O 22a_200000730056_100000210183 [1,1,0,0,0,0|2,0,0]=4 8697 B11R0.147 CCCCC(C)OCCC(C)Br 34a_100009893172_200011215066 [1,1,0,0,0,0|1,0,1]=4 8698 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000210254_200011215066 [1,1,0,0,0,0|1,0,1]=4 8699 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000687866_100000210312 [1,1,0,0,0,0|1,0,1]=4 8700 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000210254_200011215066 [1,1,0,0,0,0|1,0,1]=4 8701 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000687866_100000210626 [1,1,0,0,0,0|1,0,1]=4 8702 B11R0.147 CCCCC(C)OCCC(C)O 34a_100000687866_100012276601 [1,1,0,0,0,0|1,0,1]=4 8703 B11R0.147 CCCCC(C)OCCC(C)O 7a_100000687866_100012276601 [1,1,0,0,0,0|1,0,1]=4 8704 B11R0.147 CCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011215066 [1,1,0,0,0,0|1,0,1]=4 8705 B11R0.147 CCCCN(C)CCCC(C)C 2230a_100000207549_100011214892 [1,1,0,0,0,0|2,0,0]=4 8706 B11R0.147 CCCCN(C)CCCC(C)C 269982a_100000207549_100011214892 [1,1,0,0,0,0|2,0,0]=4 8707 B11R0.147 CCCCN(C)CCCC(C)O 2230a_100000207549_200000718107 [1,1,0,0,0,0|2,0,0]=4 8708 B11R0.147 CCCCN(C)CCCC(C)O 269982a_100000207549_200000718107 [1,1,0,0,0,0|2,0,0]=4 8709 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [1,1,0,0,0,0|1,0,1]=4 8710 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [1,1,0,0,0,0|1,0,1]=4 8711 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [1,1,0,0,0,0|1,0,1]=4 8712 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [1,1,0,0,0,0|1,0,0]=3 8713 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [1,1,0,0,0,0|1,0,0]=3 8714 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [1,1,0,0,0,0|1,0,0]=3 8715 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [1,1,0,0,0,0|1,0,0]=3 8716 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [1,1,0,0,0,0|1,0,0]=3 8717 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [1,1,0,0,0,0|1,0,0]=3 8718 B11R0.147 CCCNC(=O)CCCN(C)C 11a_100020643023_100000740757 [1,1,0,0,0,0|2,0,0]=4 8719 B11R0.147 CCCNC(=O)CCCN(C)C 2230a_100102631434_100011194427 [1,1,0,0,0,0|2,0,0]=4 8720 B11R0.147 CCCNC(=O)CCCN(C)C 240690a_100020643023_100000740757 [1,1,0,0,0,0|2,0,0]=4 8721 B11R0.147 CCCNC(=O)CCCN(C)C 269982a_100102631434_100011194427 [1,1,0,0,0,0|2,0,0]=4 8722 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000174927_100000210760 [1,1,0,0,0,0|2,0,0]=4 8723 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000210953_100000183358 [1,1,0,0,0,0|2,0,0]=4 8724 B11R0.147 CCCNC(=O)CNCC(C)C 270004a_100000174927_100000210432 [1,1,0,0,0,0|2,0,0]=4 8725 B11R0.147 CCCNC(=O)CNCC(C)C 34a_100000210953_100000183358 [1,1,0,0,0,0|2,0,0]=4 8726 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000174927_100011218427 [1,1,0,0,0,0|2,0,0]=4 8727 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000210904_100000183358 [1,1,0,0,0,0|2,0,0]=4 8728 B11R0.147 CCCNC(=O)CNCC(C)O 34a_100000210904_100000183358 [1,1,0,0,0,0|2,0,0]=4 8729 B11R0.147 CCCNC(=O)CNC[C@@H](C)O 2230a_100000174927_100009817552 [1,1,0,0,0,0|2,0,0]=4 8730 B11R0.147 CCCNC(=O)COCC(C)Br 34a_100012180447_100000183358 [1,1,0,0,0,0|2,0,0]=4 8731 B11R0.147 CCCNC(=O)COCC(C)C 11a_100020643023_100011223364 [1,1,0,0,0,0|2,0,0]=4 8732 B11R0.147 CCCNC(=O)COCC(C)C 1626a_100020643023_100011223364 [1,1,0,0,0,0|2,0,0]=4 8733 B11R0.147 CCCNC(=O)COCC(C)C 240690a_100020643023_100011223364 [1,1,0,0,0,0|2,0,0]=4 8734 B11R0.147 CCCNC(=O)COCC(C)C 34a_100000210257_100000183358 [1,1,0,0,0,0|2,0,0]=4 8735 B11R0.147 CCCNC(=O)COCC(C)C 527a_100020643023_100011223364 [1,1,0,0,0,0|2,0,0]=4 8736 B11R0.147 CCCNC(=O)COCC(C)F 34a_100015925927_100000183358 [1,1,0,0,0,0|2,0,0]=4 8737 B11R0.147 CCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183358 [1,1,0,0,0,0|2,0,0]=4 8738 B11R0.147 CCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183358 [1,1,0,0,0,0|2,0,0]=4 8739 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000183358_100000210760 [1,1,0,0,0,0|2,0,0]=4 8740 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000210624_100000183358 [1,1,0,0,0,0|2,0,0]=4 8741 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100000183358_100011218427 [1,1,0,0,0,0|2,0,0]=4 8742 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100011218427_100000183358 [1,1,0,0,0,0|2,0,0]=4 8743 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100000183358_100009817552 [1,1,0,0,0,0|2,0,0]=4 8744 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183358 [1,1,0,0,0,0|2,0,0]=4 8745 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100000210545_100020643023 [1,1,0,0,0,0|2,0,0]=4 8746 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100020643023_100000210545 [1,1,0,0,0,0|2,0,0]=4 8747 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100000210545_100020643023 [1,1,0,0,0,0|2,0,0]=4 8748 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100020643023_100000210545 [1,1,0,0,0,0|2,0,0]=4 8749 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100000210545_100020643023 [1,1,0,0,0,0|2,0,0]=4 8750 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100020643023_100000210545 [1,1,0,0,0,0|2,0,0]=4 8751 B11R0.147 CCCNC(=O)NCCC(C)O 2708a_100020643023_200000755665 [1,1,0,0,0,0|2,0,0]=4 8752 B11R0.147 CCCNC(=O)NCCC(C)O 273464a_200000755665_100020643023 [1,1,0,0,0,0|2,0,0]=4 8753 B11R0.147 CCCNC(=O)NCCC(C)O 512a_100020643023_200000755665 [1,1,0,0,0,0|2,0,0]=4 8754 B11R0.147 CCCNC(=O)NCCC(C)O 512a_200000755665_100020643023 [1,1,0,0,0,0|2,0,0]=4 8755 B11R0.147 CCCOC(=O)CNCC(C)C 2230a_100000210953_200011215008 [1,1,0,0,0,0|1,0,0]=3 8756 B11R0.147 CCCOC(=O)CNCC(C)C 34a_100000210953_200011215008 [1,1,0,0,0,0|1,0,0]=3 8757 B11R0.147 CCCOC(=O)CNCC(C)O 2230a_100000210904_200011215008 [1,1,0,0,0,0|1,0,0]=3 8758 B11R0.147 CCCOC(=O)CNCC(C)O 34a_100000210904_200011215008 [1,1,0,0,0,0|1,0,0]=3 8759 B11R0.147 CCCOC(=O)CNCC(F)F 34a_100000765723_200011215008 [1,1,0,0,0,0|2,0,0]=4 8760 B11R0.147 CCCOC(=O)COCC(=O)C 34a_100000211253_200011215008 [1,1,0,0,0,0|1,0,1]=4 8761 B11R0.147 CCCOC(=O)COCC(C)Br 34a_100012180447_200011215008 [1,1,0,0,0,0|1,0,0]=3 8762 B11R0.147 CCCOC(=O)COCC(C)C 34a_100000210257_200011215008 [1,1,0,0,0,0|1,0,0]=3 8763 B11R0.147 CCCOC(=O)COCC(C)F 34a_100015925927_200011215008 [1,1,0,0,0,0|1,0,0]=3 8764 B11R0.147 CCCOC(=O)COCC(F)F 34a_100000743014_200011215008 [1,1,0,0,0,0|2,0,0]=4 8765 B11R0.147 CCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200011215008 [1,1,0,0,0,0|1,0,0]=3 8766 B11R0.147 CCCOC(=O)COC[C@@H](C)N 34a_100000737577_200011215008 [1,1,0,0,0,0|1,0,0]=3 8767 B11R0.147 CCCOC(=O)CSCC(C)C 62a_100000210624_200011215008 [1,1,0,0,0,0|1,0,0]=3 8768 B11R0.147 CCCOC(=O)CSCC(C)C 62a_200011215008_100000210760 [1,1,0,0,0,0|1,0,0]=3 8769 B11R0.147 CCCOC(=O)CSCC(C)O 62a_100011218427_200011215008 [1,1,0,0,0,0|1,0,0]=3 8770 B11R0.147 CCCOC(=O)CSCC(C)O 62a_200011215008_100011218427 [1,1,0,0,0,0|1,0,0]=3 8771 B11R0.147 CCCOC(=O)CSCC(F)F 62a_100011934356_200011215008 [1,1,0,0,0,0|2,0,0]=4 8772 B11R0.147 CCCOC(=O)CSCC(F)F 62a_200011215008_100011934356 [1,1,0,0,0,0|2,0,0]=4 8773 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200011215008 [1,1,0,0,0,0|1,0,0]=3 8774 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_200011215008_100009817552 [1,1,0,0,0,0|1,0,0]=3 8775 B11R0.147 CCCOC(=O)OCNC(C)C 34a_100138425928_200000139673 [1,1,0,0,0,0|2,0,0]=4 8776 B11R0.147 CCCOC(=O)OCOC(C)C 34a_100000212225_200000139673 [1,1,0,0,0,0|2,0,0]=4 8777 B11R0.147 CCCOC(=O)OCSC(C)C 62a_100000210206_200000139673 [1,1,0,0,0,0|2,0,0]=4 8778 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [1,1,0,0,0,0|1,0,1]=4 8779 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [1,1,0,0,0,0|1,0,1]=4 8780 B11R0.147 CCNNC(=O)CCCC(C)C 22a_100000756455_100011216857 [1,1,0,0,0,0|2,0,0]=4 8781 B11R0.147 CCNNC(=O)CCCC(C)O 22a_100000756455_100000761597 [1,1,0,0,0,0|2,0,0]=4 8782 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [1,1,0,0,0,0|1,0,1]=4 8783 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [1,1,0,0,0,0|1,0,0]=3 8784 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [1,1,0,0,0,0|1,0,0]=3 8785 B11R0.147 CCOCC(=O)CCCN(C)C 1458a_100000211967_100000695564 [1,1,0,0,0,0|2,0,0]=4 8786 B11R0.147 CCOCC(=O)CCOC(C)C 1458a_100000211967_100000211751 [1,1,0,0,0,0|2,0,0]=4 8787 B11R0.147 CCOCC(=O)CCSC(C)C 1458a_100000211967_100000730970 [1,1,0,0,0,0|2,0,0]=4 8788 B11R0.147 CCOCC(=O)NCCC(C)C 11a_100000210545_100000211967 [1,1,0,0,0,0|2,0,0]=4 8789 B11R0.147 CCOCC(=O)NCCC(C)C 1626a_100000210545_100000211967 [1,1,0,0,0,0|2,0,0]=4 8790 B11R0.147 CCOCC(=O)NCCC(C)C 240690a_100000210545_100000211967 [1,1,0,0,0,0|2,0,0]=4 8791 B11R0.147 CCOCC(=O)NCCC(C)C 527a_100000210545_100000211967 [1,1,0,0,0,0|2,0,0]=4 8792 B11R0.147 CCOCC(=O)NCCC(C)O 240690a_200000755665_100000211967 [1,1,0,0,0,0|2,0,0]=4 8793 B11R0.147 CCOCC(=O)NCCC(C)O 527a_200000755665_100000211967 [1,1,0,0,0,0|2,0,0]=4 8794 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [1,1,0,0,0,0|1,0,1]=4 8795 B11R0.147 CCSCC(=O)CCCC(C)C 1458a_100000230394_100011214892 [1,1,0,0,0,0|1,0,0]=3 8796 B11R0.147 CCSCC(=O)CCCC(C)O 1458a_100000230394_200000718107 [1,1,0,0,0,0|1,0,0]=3 8797 B11R0.147 CCSCC(=O)CCCN(C)C 1458a_100000230394_100000695564 [1,1,0,0,0,0|2,0,0]=4 8798 B11R0.147 CCSCC(=O)CCOC(C)C 1458a_100000230394_100000211751 [1,1,0,0,0,0|2,0,0]=4 8799 B11R0.147 CCSCC(=O)CCSC(C)C 1458a_100000230394_100000730970 [1,1,0,0,0,0|2,0,0]=4 8800 B11R0.147 CCSCC(=O)NCCC(C)C 11a_100000210545_100000230394 [1,1,0,0,0,0|2,0,0]=4 8801 B11R0.147 CCSCC(=O)NCCC(C)C 1626a_100000210545_100000230394 [1,1,0,0,0,0|2,0,0]=4 8802 B11R0.147 CCSCC(=O)NCCC(C)C 240690a_100000210545_100000230394 [1,1,0,0,0,0|2,0,0]=4 8803 B11R0.147 CCSCC(=O)NCCC(C)C 527a_100000210545_100000230394 [1,1,0,0,0,0|2,0,0]=4 8804 B11R0.147 CCSCC(=O)NCCC(C)O 240690a_200000755665_100000230394 [1,1,0,0,0,0|2,0,0]=4 8805 B11R0.147 CCSCC(=O)NCCC(C)O 527a_200000755665_100000230394 [1,1,0,0,0,0|2,0,0]=4 8806 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [1,1,0,0,0,0|1,0,1]=4 8807 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [1,1,0,0,0,0|1,0,0]=3 8808 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [1,1,0,0,0,0|1,0,0]=3 8809 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [1,1,0,0,0,0|1,0,0]=3 8810 B11R0.147 COCCC(=O)CCCN(C)C 1458a_100000749529_100000695564 [1,1,0,0,0,0|2,0,0]=4 8811 B11R0.147 COCCC(=O)CCOC(C)C 1458a_100000749529_100000211751 [1,1,0,0,0,0|2,0,0]=4 8812 B11R0.147 COCCC(=O)CCSC(C)C 1458a_100000749529_100000730970 [1,1,0,0,0,0|2,0,0]=4 8813 B11R0.147 COCCC(=O)COCC(C)C 1458a_100011223364_100000233755 [1,1,0,0,0,0|2,0,0]=4 8814 B11R0.147 COCCC(=O)NCCC(C)C 11a_100000210545_100000749529 [1,1,0,0,0,0|2,0,0]=4 8815 B11R0.147 COCCC(=O)NCCC(C)C 1626a_100000210545_100000749529 [1,1,0,0,0,0|2,0,0]=4 8816 B11R0.147 COCCC(=O)NCCC(C)C 240690a_100000210545_100000749529 [1,1,0,0,0,0|2,0,0]=4 8817 B11R0.147 COCCC(=O)NCCC(C)C 527a_100000210545_100000749529 [1,1,0,0,0,0|2,0,0]=4 8818 B11R0.147 COCCC(=O)NCCC(C)O 240690a_200000755665_100000749529 [1,1,0,0,0,0|2,0,0]=4 8819 B11R0.147 COCCC(=O)NCCC(C)O 527a_200000755665_100000749529 [1,1,0,0,0,0|2,0,0]=4 8820 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [1,1,0,0,0,0|1,0,1]=4 8821 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [1,1,0,0,0,0|1,0,0]=3 8822 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [1,1,0,0,0,0|1,0,0]=3 8823 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [1,1,0,0,0,0|1,0,0]=3 8824 B11R0.147 CSCCC(=O)CCCN(C)C 1458a_100000174002_100000695564 [1,1,0,0,0,0|2,0,0]=4 8825 B11R0.147 CSCCC(=O)CCOC(C)C 1458a_100000174002_100000211751 [1,1,0,0,0,0|2,0,0]=4 8826 B11R0.147 CSCCC(=O)CCSC(C)C 1458a_100000174002_100000730970 [1,1,0,0,0,0|2,0,0]=4 8827 B11R0.147 CSCCC(=O)COCC(C)C 1458a_100011223364_100000751147 [1,1,0,0,0,0|2,0,0]=4 8828 B11R0.147 CSCCC(=O)NCCC(C)C 11a_100000210545_100000174002 [1,1,0,0,0,0|2,0,0]=4 8829 B11R0.147 CSCCC(=O)NCCC(C)C 1626a_100000210545_100000174002 [1,1,0,0,0,0|2,0,0]=4 8830 B11R0.147 CSCCC(=O)NCCC(C)C 240690a_100000210545_100000174002 [1,1,0,0,0,0|2,0,0]=4 8831 B11R0.147 CSCCC(=O)NCCC(C)C 527a_100000210545_100000174002 [1,1,0,0,0,0|2,0,0]=4 8832 B11R0.147 CSCCC(=O)NCCC(C)O 240690a_200000755665_100000174002 [1,1,0,0,0,0|2,0,0]=4 8833 B11R0.147 CSCCC(=O)NCCC(C)O 527a_200000755665_100000174002 [1,1,0,0,0,0|2,0,0]=4 8834 B11R0.152 C#CC(CCCC)OCCCC 34a_200011217967_100000210210 [1,1,0,0,0,0|1,0,1]=4 8835 B11R0.152 C#CC(CCCC)OCCCC 7a_200011217967_100000210211 [1,1,0,0,0,0|1,0,1]=4 8836 B11R0.152 C#CC(CCCCC)OCCC 34a_100011216489_100000210303 [1,1,0,0,0,0|1,0,1]=4 8837 B11R0.152 C#CC(CCCCC)OCCC 7a_100011216489_100000210303 [1,1,0,0,0,0|1,0,1]=4 8838 B11R0.152 C=CC(CCCC)OCCCC 34a_200011215037_100000210210 [1,1,0,0,0,0|1,0,1]=4 8839 B11R0.152 C=CC(CCCC)OCCCC 7a_200011215037_100000210211 [1,1,0,0,0,0|1,0,1]=4 8840 B11R0.152 C=CC(CCCCC)OCCC 34a_100011216863_100000210303 [1,1,0,0,0,0|1,0,1]=4 8841 B11R0.152 C=CC(CCCCC)OCCC 7a_100011216863_100000210303 [1,1,0,0,0,0|1,0,1]=4 8842 B11R0.152 CCCCCC(CC)OCCC 34a_100011215405_100000210303 [1,1,0,0,0,0|1,0,1]=4 8843 B11R0.152 CCCCCC(CC)OCCC 7a_100011215405_100000210303 [1,1,0,0,0,0|1,0,1]=4 8844 B11R0.152 CCCCCC(CCCC)NC 270004a_106832991635_200011218572 [1,1,0,0,0,0|1,0,1]=4 8845 B11R0.152 CCCCCN(CC)CCCC 2230a_100000207695_100000210326 [1,1,0,0,0,0|2,0,0]=4 8846 B11R0.152 CCCCCN(CC)CCCC 269982a_100000207695_100000210215 [1,1,0,0,0,0|2,0,0]=4 8847 B11R0.152 CCCCOC(CC)CCCC 34a_100000210227_200011216223 [1,1,0,0,0,0|1,0,1]=4 8848 B11R0.152 CCCCOC(CC)CCCC 34a_100011215227_100000210210 [1,1,0,0,0,0|1,0,1]=4 8849 B11R0.152 CCCCOC(CC)CCCC 7a_100000210227_200011216223 [1,1,0,0,0,0|1,0,1]=4 8850 B11R0.152 CCCCOC(CC)CCCC 7a_100011215227_100000210211 [1,1,0,0,0,0|1,0,1]=4 8851 B11R0.154 C#CCCCC(=O)CC(C)CC 1458a_100000690238_100000748023 [1,1,0,0,0,0|0,0,2]=4 8852 B11R0.154 C#CCCCC(=O)CC(C)CC 1458a_100000708755_100000731252 [1,1,0,0,0,0|0,0,2]=4 8853 B11R0.154 C#CCCCC(=O)CC(O)CC 1458a_100000690238_100011218378 [1,1,0,0,0,0|0,0,2]=4 8854 B11R0.154 C#CCCCC(=O)CC(O)CC 1458a_100011667805_100000731252 [1,1,0,0,0,0|0,0,2]=4 8855 B11R0.154 C#CCCCC(=O)C[C@@H](C)CC 1458a_100000690238_100009816398 [1,1,0,0,0,0|0,0,2]=4 8856 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [1,1,0,0,0,0|0,0,2]=4 8857 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000708755_100000757094 [1,1,0,0,0,0|0,0,2]=4 8858 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000766728_100000748023 [1,1,0,0,0,0|0,0,2]=4 8859 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100000766728_100011218378 [1,1,0,0,0,0|0,0,2]=4 8860 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100011667805_100000757094 [1,1,0,0,0,0|0,0,2]=4 8861 B11R0.154 C=CCCCC(=O)C[C@@H](C)CC 1458a_100000766728_100009816398 [1,1,0,0,0,0|0,0,2]=4 8862 B11R0.154 CC/C=C/CC(=O)CC(C)CC 1458a_100016274230_100000748023 [1,1,0,0,0,0|0,0,2]=4 8863 B11R0.154 CC/C=C/CC(=O)CC(O)CC 1458a_100016274230_100011218378 [1,1,0,0,0,0|0,0,2]=4 8864 B11R0.154 CC/C=C/CC(=O)C[C@@H](C)CC 1458a_100016274230_100009816398 [1,1,0,0,0,0|0,0,2]=4 8865 B11R0.154 CC/C=C\CC(=O)CC(C)CC 1458a_100000708755_100103147603 [1,1,0,0,0,0|0,0,2]=4 8866 B11R0.154 CC/C=C\CC(=O)CC(O)CC 1458a_100011667805_100103147603 [1,1,0,0,0,0|0,0,2]=4 8867 B11R0.154 CCC#CCC(=O)CC(C)CC 1458a_100000708755_100009813939 [1,1,0,0,0,0|0,0,2]=4 8868 B11R0.154 CCC#CCC(=O)CC(O)CC 1458a_100011667805_100009813939 [1,1,0,0,0,0|0,0,2]=4 8869 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [1,1,0,0,0,0|1,0,1]=4 8870 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [1,1,0,0,0,0|1,0,1]=4 8871 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [1,1,0,0,0,0|1,0,1]=4 8872 B11R0.154 CCC(=O)CC(=O)OCCOC 1458a_100000210414_200000040189 [1,1,0,0,0,0|1,0,1]=4 8873 B11R0.154 CCC(C)CC(=O)CCCC#N 1458a_100000075515_100000748023 [1,1,0,0,0,0|1,0,1]=4 8874 B11R0.154 CCC(C)CC(=O)CCCC#N 1458a_100000708755_100000211468 [1,1,0,0,0,0|1,0,1]=4 8875 B11R0.154 CCC(C)CC(=O)CCCCF 1458a_100000708755_100000729493 [1,1,0,0,0,0|1,0,0]=3 8876 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000695505_100000748023 [1,1,0,0,0,0|1,0,0]=3 8877 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000708755_100000210776 [1,1,0,0,0,0|1,0,0]=3 8878 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000708755_100000740836 [1,1,0,0,0,0|1,0,0]=3 8879 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000741012_100000748023 [1,1,0,0,0,0|1,0,0]=3 8880 B11R0.154 CCC(C)CC(=O)CCCSC 1458a_100000173376_100000748023 [1,1,0,0,0,0|1,0,0]=3 8881 B11R0.154 CCC(C)CC(=O)COCCO 1458a_100000708028_100000748023 [1,1,0,0,0,0|2,0,0]=4 8882 B11R0.154 CCC(C)CC(=O)NCCCF 11a_100015189416_100000708755 [1,1,0,0,0,0|2,0,0]=4 8883 B11R0.154 CCC(C)CC(=O)NCCCF 1626a_100015189416_100000708755 [1,1,0,0,0,0|2,0,0]=4 8884 B11R0.154 CCC(C)CC(=O)NCCCF 240690a_100015189416_100000708755 [1,1,0,0,0,0|2,0,0]=4 8885 B11R0.154 CCC(C)CC(=O)NCCCF 527a_100015189416_100000708755 [1,1,0,0,0,0|2,0,0]=4 8886 B11R0.154 CCC(C)CC(=O)NCCCO 240690a_100000182051_100000708755 [1,1,0,0,0,0|2,0,0]=4 8887 B11R0.154 CCC(C)CC(=O)NCCCO 527a_100000182051_100000708755 [1,1,0,0,0,0|2,0,0]=4 8888 B11R0.154 CCC(C)CC(=O)NCCOC 1626a_100000209980_100000708755 [1,1,0,0,0,0|2,0,0]=4 8889 B11R0.154 CCC(C)CC(=O)NCCOC 240690a_100000209980_100000708755 [1,1,0,0,0,0|2,0,0]=4 8890 B11R0.154 CCC(C)CC(=O)NCCOC 527a_100000209980_100000708755 [1,1,0,0,0,0|2,0,0]=4 8891 B11R0.154 CCC(C)CC(=O)NCCSC 11a_100020590264_100000708755 [1,1,0,0,0,0|2,0,0]=4 8892 B11R0.154 CCC(C)CC(=O)NCCSC 1626a_100020590264_100000708755 [1,1,0,0,0,0|2,0,0]=4 8893 B11R0.154 CCC(C)CC(=O)NCCSC 240690a_100020590264_100000708755 [1,1,0,0,0,0|2,0,0]=4 8894 B11R0.154 CCC(C)CC(=O)NCCSC 527a_100020590264_100000708755 [1,1,0,0,0,0|2,0,0]=4 8895 B11R0.154 CCC(C)NC(=O)CCCCO 1626a_100000209981_100000695505 [1,1,0,0,0,0|2,0,0]=4 8896 B11R0.154 CCC(C)NC(=O)CCCOC 11a_100000209981_100000741012 [1,1,0,0,0,0|2,0,0]=4 8897 B11R0.154 CCC(C)NC(=O)CCCOC 1626a_100000209981_100000741012 [1,1,0,0,0,0|2,0,0]=4 8898 B11R0.154 CCC(C)NC(=O)CCCOC 240690a_100000209981_100000741012 [1,1,0,0,0,0|2,0,0]=4 8899 B11R0.154 CCC(C)NC(=O)CCCOC 527a_100000209981_100000741012 [1,1,0,0,0,0|2,0,0]=4 8900 B11R0.154 CCC(C)NC(=O)CCCSC 11a_100000209981_100000173376 [1,1,0,0,0,0|2,0,0]=4 8901 B11R0.154 CCC(C)NC(=O)CCCSC 1626a_100000209981_100000173376 [1,1,0,0,0,0|2,0,0]=4 8902 B11R0.154 CCC(C)NC(=O)CCCSC 240690a_100000209981_100000173376 [1,1,0,0,0,0|2,0,0]=4 8903 B11R0.154 CCC(C)NC(=O)CCCSC 527a_100000209981_100000173376 [1,1,0,0,0,0|2,0,0]=4 8904 B11R0.154 CCC(O)CC(=O)CCCC#N 1458a_100000075515_100011218378 [1,1,0,0,0,0|1,0,1]=4 8905 B11R0.154 CCC(O)CC(=O)CCCC#N 1458a_100011667805_100000211468 [1,1,0,0,0,0|1,0,1]=4 8906 B11R0.154 CCC(O)CC(=O)CCCCF 1458a_100011667805_100000729493 [1,1,0,0,0,0|1,0,0]=3 8907 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100000695505_100011218378 [1,1,0,0,0,0|1,0,0]=3 8908 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100011667805_100000210776 [1,1,0,0,0,0|1,0,0]=3 8909 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100000741012_100011218378 [1,1,0,0,0,0|1,0,0]=3 8910 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100011667805_100000740836 [1,1,0,0,0,0|1,0,0]=3 8911 B11R0.154 CCC(O)CC(=O)CCCSC 1458a_100000173376_100011218378 [1,1,0,0,0,0|1,0,0]=3 8912 B11R0.154 CCC(O)CC(=O)COCCO 1458a_100000708028_100011218378 [1,1,0,0,0,0|2,0,0]=4 8913 B11R0.154 CCC(O)CC(=O)NCCCF 1626a_100015189416_100011667805 [1,1,0,0,0,0|2,0,0]=4 8914 B11R0.154 CCC(O)CC(=O)NCCCF 240690a_100015189416_100011667805 [1,1,0,0,0,0|2,0,0]=4 8915 B11R0.154 CCC(O)CC(=O)NCCCO 240690a_100000182051_100011667805 [1,1,0,0,0,0|2,0,0]=4 8916 B11R0.154 CCC(O)CC(=O)NCCOC 1626a_100000209980_100011667805 [1,1,0,0,0,0|2,0,0]=4 8917 B11R0.154 CCC(O)CC(=O)NCCOC 240690a_100000209980_100011667805 [1,1,0,0,0,0|2,0,0]=4 8918 B11R0.154 CCC(O)CC(=O)NCCSC 1626a_100020590264_100011667805 [1,1,0,0,0,0|2,0,0]=4 8919 B11R0.154 CCC(O)CC(=O)NCCSC 240690a_100020590264_100011667805 [1,1,0,0,0,0|2,0,0]=4 8920 B11R0.154 CCCC#CC(=O)CC(C)CC 1458a_200011218047_100000748023 [1,1,0,0,0,0|0,0,2]=4 8921 B11R0.154 CCCC#CC(=O)CC(O)CC 1458a_200011218047_100011218378 [1,1,0,0,0,0|0,0,2]=4 8922 B11R0.154 CCCC#CC(=O)C[C@@H](C)CC 1458a_200011218047_100009816398 [1,1,0,0,0,0|0,0,2]=4 8923 B11R0.154 CCCC=CC(=O)CC(C)CC 1458a_100000212230_100000748023 [1,1,0,0,0,0|0,0,2]=4 8924 B11R0.154 CCCC=CC(=O)CC(O)CC 1458a_100000212230_100011218378 [1,1,0,0,0,0|0,0,2]=4 8925 B11R0.154 CCCC=CC(=O)C[C@@H](C)CC 1458a_100000212230_100009816398 [1,1,0,0,0,0|0,0,2]=4 8926 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [1,1,0,0,0,0|0,0,2]=4 8927 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [1,1,0,0,0,0|0,0,1]=3 8928 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [1,1,0,0,0,0|0,0,1]=3 8929 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [1,1,0,0,0,0|1,0,1]=4 8930 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [1,1,0,0,0,0|1,0,1]=4 8931 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [1,1,0,0,0,0|1,0,1]=4 8932 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [1,1,0,0,0,0|1,0,1]=4 8933 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [1,1,0,0,0,0|0,0,0]=2 8934 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [1,1,0,0,0,0|0,0,0]=2 8935 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [1,1,0,0,0,0|0,0,0]=2 8936 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [1,1,0,0,0,0|0,0,0]=2 8937 B11R0.154 CCCCCC(=O)CN(C)CC 1458a_100116209913_100000210326 [1,1,0,0,0,0|1,0,0]=3 8938 B11R0.154 CCCCCC(=O)CN(C)CC 2230a_100000225621_200012276598 [1,1,0,0,0,0|1,0,0]=3 8939 B11R0.154 CCCCCC(=O)CN(C)CC 269982a_100000225621_200012276598 [1,1,0,0,0,0|1,0,0]=3 8940 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [1,1,0,0,0,0|0,0,0]=2 8941 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [1,1,0,0,0,0|1,0,0]=3 8942 B11R0.154 CCCCCC(=O)NC(C)CC 11a_100000209981_100000212188 [1,1,0,0,0,0|1,0,0]=3 8943 B11R0.154 CCCCCC(=O)NC(C)CC 1626a_100000209981_100000212188 [1,1,0,0,0,0|1,0,0]=3 8944 B11R0.154 CCCCCC(=O)NC(C)CC 240690a_100000209981_100000212188 [1,1,0,0,0,0|1,0,0]=3 8945 B11R0.154 CCCCCC(=O)NC(C)CC 527a_100000209981_100000212188 [1,1,0,0,0,0|1,0,0]=3 8946 B11R0.154 CCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000212188 [1,1,0,0,0,0|2,0,0]=4 8947 B11R0.154 CCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000212188 [1,1,0,0,0,0|2,0,0]=4 8948 B11R0.154 CCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000212188 [1,1,0,0,0,0|2,0,0]=4 8949 B11R0.154 CCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000212188 [1,1,0,0,0,0|2,0,0]=4 8950 B11R0.154 CCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000212188 [1,1,0,0,0,0|2,0,0]=4 8951 B11R0.154 CCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000212188 [1,1,0,0,0,0|2,0,0]=4 8952 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [1,1,0,0,0,0|1,0,1]=4 8953 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [1,1,0,0,0,0|1,0,1]=4 8954 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [1,1,0,0,0,0|1,0,1]=4 8955 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000223495_100000748023 [1,1,0,0,0,0|2,0,0]=4 8956 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000753921_100000210326 [1,1,0,0,0,0|2,0,0]=4 8957 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000223495_100000748023 [1,1,0,0,0,0|2,0,0]=4 8958 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000753921_100000210215 [1,1,0,0,0,0|2,0,0]=4 8959 B11R0.154 CCCCCN(C)CC(C)CC 270004a_100000223495_100000243153 [1,1,0,0,0,0|2,0,0]=4 8960 B11R0.154 CCCCCN(C)CC(O)CC 2230a_100000223495_100011218378 [1,1,0,0,0,0|2,0,0]=4 8961 B11R0.154 CCCCCN(C)CC(O)CC 269982a_100000223495_100011218378 [1,1,0,0,0,0|2,0,0]=4 8962 B11R0.154 CCCCCN(C)C[C@@H](C)CC 2230a_100000223495_100009816398 [1,1,0,0,0,0|2,0,0]=4 8963 B11R0.154 CCCCCN(C)C[C@@H](C)CC 269982a_100000223495_100009816398 [1,1,0,0,0,0|2,0,0]=4 8964 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [1,1,0,0,0,0|1,0,1]=4 8965 B11R0.154 CCCCNC(=O)CC(C)CC 11a_100000102301_100000708755 [1,1,0,0,0,0|1,0,0]=3 8966 B11R0.154 CCCCNC(=O)CC(C)CC 1626a_100000102301_100000708755 [1,1,0,0,0,0|1,0,0]=3 8967 B11R0.154 CCCCNC(=O)CC(C)CC 240690a_100000102301_100000708755 [1,1,0,0,0,0|1,0,0]=3 8968 B11R0.154 CCCCNC(=O)CC(C)CC 527a_100000102301_100000708755 [1,1,0,0,0,0|1,0,0]=3 8969 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [1,1,0,0,0,0|1,0,0]=3 8970 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [1,1,0,0,0,0|1,0,0]=3 8971 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_100000225621_100000182744 [1,1,0,0,0,0|2,0,0]=4 8972 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_200000213093_100000210202 [1,1,0,0,0,0|2,0,0]=4 8973 B11R0.154 CCCCNC(=O)CN(C)CC 240690a_100000102301_100116209913 [1,1,0,0,0,0|2,0,0]=4 8974 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_100000225621_100000182744 [1,1,0,0,0,0|2,0,0]=4 8975 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_200000213093_100000204670 [1,1,0,0,0,0|2,0,0]=4 8976 B11R0.154 CCCCNC(=O)CN(C)CC 527a_100000102301_100116209913 [1,1,0,0,0,0|2,0,0]=4 8977 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000102301_100000209981 [1,1,0,0,0,0|2,0,0]=4 8978 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000209981_100000102301 [1,1,0,0,0,0|2,0,0]=4 8979 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000102301_100000209981 [1,1,0,0,0,0|2,0,0]=4 8980 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000209981_100000102301 [1,1,0,0,0,0|2,0,0]=4 8981 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000102301_100000209981 [1,1,0,0,0,0|2,0,0]=4 8982 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000209981_100000102301 [1,1,0,0,0,0|2,0,0]=4 8983 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [1,1,0,0,0,0|0,0,1]=3 8984 B11R0.154 CCCCOC(=O)CC(=O)CO 1458a_100000210174_100000211628 [1,1,0,0,0,0|1,0,1]=4 8985 B11R0.154 CCCCOC(=O)CN(C)CC 2230a_100000225621_100000211628 [1,1,0,0,0,0|1,0,0]=3 8986 B11R0.154 CCCCOC(=O)CN(C)CC 269982a_100000225621_100000211628 [1,1,0,0,0,0|1,0,0]=3 8987 B11R0.154 CCCNNC(=O)CC(C)CC 22a_100000740057_100000708755 [1,1,0,0,0,0|2,0,0]=4 8988 B11R0.154 CCCNNC(=O)CC(O)CC 22a_100000740057_100011667805 [1,1,0,0,0,0|2,0,0]=4 8989 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [1,1,0,0,0,0|1,0,1]=4 8990 B11R0.154 CCCOCC(=O)CC(C)CC 1458a_100000745993_100000748023 [1,1,0,0,0,0|1,0,0]=3 8991 B11R0.154 CCCOCC(=O)CC(O)CC 1458a_100000745993_100011218378 [1,1,0,0,0,0|1,0,0]=3 8992 B11R0.154 CCCOCC(=O)C[C@@H](C)CC 1458a_100000745993_100009816398 [1,1,0,0,0,0|1,0,0]=3 8993 B11R0.154 CCCOCC(=O)C[C@@H](C)CO 1458a_100000745993_100000059175 [1,1,0,0,0,0|2,0,0]=4 8994 B11R0.154 CCCOCC(=O)NC(C)CC 11a_100000209981_100000745993 [1,1,0,0,0,0|2,0,0]=4 8995 B11R0.154 CCCOCC(=O)NC(C)CC 1626a_100000209981_100000745993 [1,1,0,0,0,0|2,0,0]=4 8996 B11R0.154 CCCOCC(=O)NC(C)CC 240690a_100000209981_100000745993 [1,1,0,0,0,0|2,0,0]=4 8997 B11R0.154 CCCOCC(=O)NC(C)CC 34a_100000210258_100000182745 [1,1,0,0,0,0|2,0,0]=4 8998 B11R0.154 CCCOCC(=O)NC(C)CC 527a_100000209981_100000745993 [1,1,0,0,0,0|2,0,0]=4 8999 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [1,1,0,0,0,0|1,0,1]=4 9000 B11R0.154 CCCSCC(=O)CC(C)CC 1458a_100000217233_100000748023 [1,1,0,0,0,0|1,0,0]=3 9001 B11R0.154 CCCSCC(=O)CC(O)CC 1458a_100000217233_100011218378 [1,1,0,0,0,0|1,0,0]=3 9002 B11R0.154 CCCSCC(=O)C[C@@H](C)CC 1458a_100000217233_100009816398 [1,1,0,0,0,0|1,0,0]=3 9003 B11R0.154 CCCSCC(=O)C[C@@H](C)CO 1458a_100000217233_100000059175 [1,1,0,0,0,0|2,0,0]=4 9004 B11R0.154 CCCSCC(=O)NC(C)CC 11a_100000209981_100000217233 [1,1,0,0,0,0|2,0,0]=4 9005 B11R0.154 CCCSCC(=O)NC(C)CC 1626a_100000209981_100000217233 [1,1,0,0,0,0|2,0,0]=4 9006 B11R0.154 CCCSCC(=O)NC(C)CC 240690a_100000209981_100000217233 [1,1,0,0,0,0|2,0,0]=4 9007 B11R0.154 CCCSCC(=O)NC(C)CC 527a_100000209981_100000217233 [1,1,0,0,0,0|2,0,0]=4 9008 B11R0.154 CCCSCC(=O)NC(C)CC 62a_100000182745_100000210303 [1,1,0,0,0,0|2,0,0]=4 9009 B11R0.154 CCCSCC(=O)NC(C)CC 62a_100000210303_100000182745 [1,1,0,0,0,0|2,0,0]=4 9010 B11R0.154 CCN(C)CC(=O)CCCCF 1458a_100116209913_100000729493 [1,1,0,0,0,0|2,0,0]=4 9011 B11R0.154 CCN(C)CC(=O)CCCCO 1458a_100116209913_100000210776 [1,1,0,0,0,0|2,0,0]=4 9012 B11R0.154 CCN(C)CC(=O)CCCOC 1458a_100116209913_100000740836 [1,1,0,0,0,0|2,0,0]=4 9013 B11R0.154 CCN(C)CC(=O)OCCOC 2230a_100000225621_200000040189 [1,1,0,0,0,0|2,0,0]=4 9014 B11R0.154 CCN(C)CC(=O)OCCOC 269982a_100000225621_200000040189 [1,1,0,0,0,0|2,0,0]=4 9015 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [1,1,0,0,0,0|1,0,1]=4 9016 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000708755_100011215890 [1,1,0,0,0,0|1,0,0]=3 9017 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000749530_100000748023 [1,1,0,0,0,0|1,0,0]=3 9018 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100000749530_100011218378 [1,1,0,0,0,0|1,0,0]=3 9019 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100011667805_100011215890 [1,1,0,0,0,0|1,0,0]=3 9020 B11R0.154 CCOCCC(=O)CN(C)CC 1458a_100116209913_100011215890 [1,1,0,0,0,0|2,0,0]=4 9021 B11R0.154 CCOCCC(=O)C[C@@H](C)CC 1458a_100000749530_100009816398 [1,1,0,0,0,0|1,0,0]=3 9022 B11R0.154 CCOCCC(=O)C[C@@H](C)CO 1458a_100000749530_100000059175 [1,1,0,0,0,0|2,0,0]=4 9023 B11R0.154 CCOCCC(=O)NC(C)CC 11a_100000209981_100000749530 [1,1,0,0,0,0|2,0,0]=4 9024 B11R0.154 CCOCCC(=O)NC(C)CC 1626a_100000209981_100000749530 [1,1,0,0,0,0|2,0,0]=4 9025 B11R0.154 CCOCCC(=O)NC(C)CC 240690a_100000209981_100000749530 [1,1,0,0,0,0|2,0,0]=4 9026 B11R0.154 CCOCCC(=O)NC(C)CC 527a_100000209981_100000749530 [1,1,0,0,0,0|2,0,0]=4 9027 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [1,1,0,0,0,0|1,0,1]=4 9028 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000230768_100000748023 [1,1,0,0,0,0|1,0,0]=3 9029 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000708755_100000757381 [1,1,0,0,0,0|1,0,0]=3 9030 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100000230768_100011218378 [1,1,0,0,0,0|1,0,0]=3 9031 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100011667805_100000757381 [1,1,0,0,0,0|1,0,0]=3 9032 B11R0.154 CCSCCC(=O)CN(C)CC 1458a_100116209913_100000757381 [1,1,0,0,0,0|2,0,0]=4 9033 B11R0.154 CCSCCC(=O)C[C@@H](C)CC 1458a_100000230768_100009816398 [1,1,0,0,0,0|1,0,0]=3 9034 B11R0.154 CCSCCC(=O)C[C@@H](C)CO 1458a_100000230768_100000059175 [1,1,0,0,0,0|2,0,0]=4 9035 B11R0.154 CCSCCC(=O)NC(C)CC 11a_100000209981_100000230768 [1,1,0,0,0,0|2,0,0]=4 9036 B11R0.154 CCSCCC(=O)NC(C)CC 1626a_100000209981_100000230768 [1,1,0,0,0,0|2,0,0]=4 9037 B11R0.154 CCSCCC(=O)NC(C)CC 240690a_100000209981_100000230768 [1,1,0,0,0,0|2,0,0]=4 9038 B11R0.154 CCSCCC(=O)NC(C)CC 527a_100000209981_100000230768 [1,1,0,0,0,0|2,0,0]=4 9039 B11R0.154 CC[C@H](C)CC(=O)CCCC#N 1458a_100000075515_100009816398 [1,1,0,0,0,0|1,0,1]=4 9040 B11R0.154 CC[C@H](C)CC(=O)CCCCO 1458a_100000695505_100009816398 [1,1,0,0,0,0|1,0,0]=3 9041 B11R0.154 CC[C@H](C)CC(=O)CCCOC 1458a_100000741012_100009816398 [1,1,0,0,0,0|1,0,0]=3 9042 B11R0.154 CC[C@H](C)CC(=O)CCCSC 1458a_100000173376_100009816398 [1,1,0,0,0,0|1,0,0]=3 9043 B11R0.154 CC[C@H](C)CC(=O)COCCO 1458a_100000708028_100009816398 [1,1,0,0,0,0|2,0,0]=4 9044 B11R0.154 COCCCC(=O)C[C@@H](C)CO 1458a_100000741012_100000059175 [1,1,0,0,0,0|2,0,0]=4 9045 B11R0.154 CSCCCC(=O)C[C@@H](C)CO 1458a_100000173376_100000059175 [1,1,0,0,0,0|2,0,0]=4 9046 B11R0.154 C[C@@H](CO)CC(=O)CCCCO 1458a_100000695505_100000059175 [1,1,0,0,0,0|2,0,0]=4 9047 B11R0.155 C#CCCCC(=O)C(C)CCC 1458a_100000210906_100000731252 [1,1,0,0,0,0|0,0,2]=4 9048 B11R0.155 C#CCCCC(=O)C(C)CCC 1458a_100000690238_100000766640 [1,1,0,0,0,0|0,0,2]=4 9049 B11R0.155 C#CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000731252 [1,1,0,0,0,0|0,0,2]=4 9050 B11R0.155 C=CCC(C)C(=O)CCCCC 1458a_100011216819_100000210326 [1,1,0,0,0,0|0,0,2]=4 9051 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000210906_100000757094 [1,1,0,0,0,0|0,0,2]=4 9052 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000766728_100000766640 [1,1,0,0,0,0|0,0,2]=4 9053 B11R0.155 C=CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000757094 [1,1,0,0,0,0|0,0,2]=4 9054 B11R0.155 CC(CCO)C(=O)CCCCO 1458a_100000695505_100009893172 [1,1,0,0,0,0|2,0,0]=4 9055 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [1,1,0,0,0,0|0,0,2]=4 9056 B11R0.155 CC/C=C/CC(=O)C(C)CCC 1458a_100016274230_100000766640 [1,1,0,0,0,0|0,0,2]=4 9057 B11R0.155 CC/C=C\CC(=O)C(C)CCC 1458a_100000210906_100103147603 [1,1,0,0,0,0|0,0,2]=4 9058 B11R0.155 CC/C=C\CC(=O)[C@@H](O)CCC 1458a_100009822183_100103147603 [1,1,0,0,0,0|0,0,2]=4 9059 B11R0.155 CCC#CCC(=O)C(C)CCC 1458a_100000210906_100009813939 [1,1,0,0,0,0|0,0,2]=4 9060 B11R0.155 CCC#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100009813939 [1,1,0,0,0,0|0,0,2]=4 9061 B11R0.155 CCCC#CC(=O)C(C)CCC 1458a_200011218047_100000766640 [1,1,0,0,0,0|0,0,2]=4 9062 B11R0.155 CCCC(C)C(=O)CCCC#N 1458a_100000075515_100000766640 [1,1,0,0,0,0|1,0,1]=4 9063 B11R0.155 CCCC(C)C(=O)CCCC#N 1458a_100000210906_100000211468 [1,1,0,0,0,0|1,0,1]=4 9064 B11R0.155 CCCC(C)C(=O)CCCCF 1458a_100000210906_100000729493 [1,1,0,0,0,0|1,0,0]=3 9065 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000210906_100000210776 [1,1,0,0,0,0|1,0,0]=3 9066 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000695505_100000766640 [1,1,0,0,0,0|1,0,0]=3 9067 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000210906_100000740836 [1,1,0,0,0,0|1,0,0]=3 9068 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000741012_100000766640 [1,1,0,0,0,0|1,0,0]=3 9069 B11R0.155 CCCC(C)C(=O)CCCSC 1458a_100000173376_100000766640 [1,1,0,0,0,0|1,0,0]=3 9070 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000210906_100011215890 [1,1,0,0,0,0|1,0,0]=3 9071 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000749530_100000766640 [1,1,0,0,0,0|1,0,0]=3 9072 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000210906_100000757381 [1,1,0,0,0,0|1,0,0]=3 9073 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000230768_100000766640 [1,1,0,0,0,0|1,0,0]=3 9074 B11R0.155 CCCC(C)C(=O)COCCO 1458a_100000708028_100000766640 [1,1,0,0,0,0|2,0,0]=4 9075 B11R0.155 CCCC(C)C(=O)NCCCF 11a_100015189416_100000210906 [1,1,0,0,0,0|2,0,0]=4 9076 B11R0.155 CCCC(C)C(=O)NCCCF 1626a_100015189416_100000210906 [1,1,0,0,0,0|2,0,0]=4 9077 B11R0.155 CCCC(C)C(=O)NCCCF 240690a_100015189416_100000210906 [1,1,0,0,0,0|2,0,0]=4 9078 B11R0.155 CCCC(C)C(=O)NCCCF 527a_100015189416_100000210906 [1,1,0,0,0,0|2,0,0]=4 9079 B11R0.155 CCCC(C)C(=O)NCCCO 240690a_100000182051_100000210906 [1,1,0,0,0,0|2,0,0]=4 9080 B11R0.155 CCCC(C)C(=O)NCCCO 527a_100000182051_100000210906 [1,1,0,0,0,0|2,0,0]=4 9081 B11R0.155 CCCC(C)C(=O)NCCOC 1626a_100000209980_100000210906 [1,1,0,0,0,0|2,0,0]=4 9082 B11R0.155 CCCC(C)C(=O)NCCOC 240690a_100000209980_100000210906 [1,1,0,0,0,0|2,0,0]=4 9083 B11R0.155 CCCC(C)C(=O)NCCOC 527a_100000209980_100000210906 [1,1,0,0,0,0|2,0,0]=4 9084 B11R0.155 CCCC(C)C(=O)NCCSC 11a_100020590264_100000210906 [1,1,0,0,0,0|2,0,0]=4 9085 B11R0.155 CCCC(C)C(=O)NCCSC 1626a_100020590264_100000210906 [1,1,0,0,0,0|2,0,0]=4 9086 B11R0.155 CCCC(C)C(=O)NCCSC 240690a_100020590264_100000210906 [1,1,0,0,0,0|2,0,0]=4 9087 B11R0.155 CCCC(C)C(=O)NCCSC 527a_100020590264_100000210906 [1,1,0,0,0,0|2,0,0]=4 9088 B11R0.155 CCCC=CC(=O)C(C)CCC 1458a_100000212230_100000766640 [1,1,0,0,0,0|0,0,2]=4 9089 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [1,1,0,0,0,0|1,0,1]=4 9090 B11R0.155 CCCCCC(=O)C(C)CC#N 1458a_100000212188_100009813641 [1,1,0,0,0,0|1,0,1]=4 9091 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [1,1,0,0,0,0|0,0,0]=2 9092 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [1,1,0,0,0,0|0,0,0]=2 9093 B11R0.155 CCCCCC(=O)C(C)CCO 1458a_100000212188_100009893172 [1,1,0,0,0,0|1,0,0]=3 9094 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000212188_100000765312 [1,1,0,0,0,0|1,0,0]=3 9095 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000751857_100000210326 [1,1,0,0,0,0|1,0,0]=3 9096 B11R0.155 CCCCCC(=O)C(C)CSC 1458a_100000753918_100000210326 [1,1,0,0,0,0|1,0,0]=3 9097 B11R0.155 CCCCCC(=O)C(C)OCC 1458a_100000739345_100000210326 [1,1,0,0,0,0|1,0,0]=3 9098 B11R0.155 CCCCCC(=O)C(C)SCC 1458a_100000230601_100000210326 [1,1,0,0,0,0|1,0,0]=3 9099 B11R0.155 CCCCCC(=O)N(C)CCC 11a_100000747261_100000212188 [1,1,0,0,0,0|1,0,0]=3 9100 B11R0.155 CCCCCC(=O)N(C)CCC 1626a_100000747261_100000212188 [1,1,0,0,0,0|1,0,0]=3 9101 B11R0.155 CCCCCC(=O)N(C)CCC 240690a_100000747261_100000212188 [1,1,0,0,0,0|1,0,0]=3 9102 B11R0.155 CCCCCC(=O)N(C)CCC 527a_100000747261_100000212188 [1,1,0,0,0,0|1,0,0]=3 9103 B11R0.155 CCCCCC(=O)N(C)CCO 240690a_100000210263_100000212188 [1,1,0,0,0,0|2,0,0]=4 9104 B11R0.155 CCCCCC(=O)N(C)CCO 527a_100000210263_100000212188 [1,1,0,0,0,0|2,0,0]=4 9105 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [1,1,0,0,0,0|0,0,0]=2 9106 B11R0.155 CCCCCN(C)C(C)CCC 2230a_100000223495_100000766640 [1,1,0,0,0,0|2,0,0]=4 9107 B11R0.155 CCCCCN(C)C(C)CCC 269982a_100000223495_100000766640 [1,1,0,0,0,0|2,0,0]=4 9108 B11R0.155 CCCCCN(C)C(C)CCC 270004a_100000223495_100000211909 [1,1,0,0,0,0|2,0,0]=4 9109 B11R0.155 CCCCNC(=O)C(C)CCC 11a_100000102301_100000210906 [1,1,0,0,0,0|1,0,0]=3 9110 B11R0.155 CCCCNC(=O)C(C)CCC 1626a_100000102301_100000210906 [1,1,0,0,0,0|1,0,0]=3 9111 B11R0.155 CCCCNC(=O)C(C)CCC 240690a_100000102301_100000210906 [1,1,0,0,0,0|1,0,0]=3 9112 B11R0.155 CCCCNC(=O)C(C)CCC 527a_100000102301_100000210906 [1,1,0,0,0,0|1,0,0]=3 9113 B11R0.155 CCCCNC(=O)C(C)COC 11a_100000102301_100000751857 [1,1,0,0,0,0|2,0,0]=4 9114 B11R0.155 CCCCNC(=O)C(C)COC 1626a_100000102301_100000751857 [1,1,0,0,0,0|2,0,0]=4 9115 B11R0.155 CCCCNC(=O)C(C)COC 240690a_100000102301_100000751857 [1,1,0,0,0,0|2,0,0]=4 9116 B11R0.155 CCCCNC(=O)C(C)COC 527a_100000102301_100000751857 [1,1,0,0,0,0|2,0,0]=4 9117 B11R0.155 CCCCNC(=O)C(C)CSC 11a_100000102301_100000753918 [1,1,0,0,0,0|2,0,0]=4 9118 B11R0.155 CCCCNC(=O)C(C)CSC 1626a_100000102301_100000753918 [1,1,0,0,0,0|2,0,0]=4 9119 B11R0.155 CCCCNC(=O)C(C)CSC 240690a_100000102301_100000753918 [1,1,0,0,0,0|2,0,0]=4 9120 B11R0.155 CCCCNC(=O)C(C)CSC 527a_100000102301_100000753918 [1,1,0,0,0,0|2,0,0]=4 9121 B11R0.155 CCCCNC(=O)C(C)NCC 2230a_100015525214_100000735917 [1,1,0,0,0,0|2,0,0]=4 9122 B11R0.155 CCCCNC(=O)C(C)OCC 11a_100000102301_100000739345 [1,1,0,0,0,0|2,0,0]=4 9123 B11R0.155 CCCCNC(=O)C(C)OCC 1626a_100000102301_100000739345 [1,1,0,0,0,0|2,0,0]=4 9124 B11R0.155 CCCCNC(=O)C(C)OCC 240690a_100000102301_100000739345 [1,1,0,0,0,0|2,0,0]=4 9125 B11R0.155 CCCCNC(=O)C(C)OCC 34a_100121572206_100000735917 [1,1,0,0,0,0|2,0,0]=4 9126 B11R0.155 CCCCNC(=O)C(C)OCC 527a_100000102301_100000739345 [1,1,0,0,0,0|2,0,0]=4 9127 B11R0.155 CCCCNC(=O)C(C)SCC 11a_100000102301_100000230601 [1,1,0,0,0,0|2,0,0]=4 9128 B11R0.155 CCCCNC(=O)C(C)SCC 1626a_100000102301_100000230601 [1,1,0,0,0,0|2,0,0]=4 9129 B11R0.155 CCCCNC(=O)C(C)SCC 240690a_100000102301_100000230601 [1,1,0,0,0,0|2,0,0]=4 9130 B11R0.155 CCCCNC(=O)C(C)SCC 527a_100000102301_100000230601 [1,1,0,0,0,0|2,0,0]=4 9131 B11R0.155 CCCCNC(=O)C(C)SCC 62a_100000210202_100000735917 [1,1,0,0,0,0|2,0,0]=4 9132 B11R0.155 CCCCNC(=O)C(C)SCC 62a_100000735917_100000210202 [1,1,0,0,0,0|2,0,0]=4 9133 B11R0.155 CCCCNC(=O)N(C)CCC 2708a_100000102301_100000747261 [1,1,0,0,0,0|2,0,0]=4 9134 B11R0.155 CCCCNC(=O)N(C)CCC 273464a_100000102301_100000747261 [1,1,0,0,0,0|2,0,0]=4 9135 B11R0.155 CCCCNC(=O)[C@@H](O)CCC 240690a_100000102301_100009822183 [1,1,0,0,0,0|1,0,0]=3 9136 B11R0.155 CCCCOC(=O)C(C)NCC 2230a_100015525214_100000759602 [1,1,0,0,0,0|1,0,0]=3 9137 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100000038973_100000210202 [1,1,0,0,0,0|1,0,0]=3 9138 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100121572206_100000759602 [1,1,0,0,0,0|1,0,0]=3 9139 B11R0.155 CCCCOC(=O)C(C)OCC 7a_100000038973_100000210202 [1,1,0,0,0,0|1,0,0]=3 9140 B11R0.155 CCCCOC(=O)C(C)OCF 34a_100000038973_100015361967 [1,1,0,0,0,0|2,0,0]=4 9141 B11R0.155 CCCCOC(=O)C(C)OCF 7a_100000038973_100015361967 [1,1,0,0,0,0|2,0,0]=4 9142 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000210202_100000759602 [1,1,0,0,0,0|1,0,0]=3 9143 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000759602_100000210202 [1,1,0,0,0,0|1,0,0]=3 9144 B11R0.155 CCCCOC(=O)C(C)SCF 62a_100000759602_100015361967 [1,1,0,0,0,0|2,0,0]=4 9145 B11R0.155 CCCCOC(=O)C(C)SCF 62a_100015361967_100000759602 [1,1,0,0,0,0|2,0,0]=4 9146 B11R0.155 CCCCOC(C)C(C)CCC 34a_100000708338_100000210210 [1,1,0,0,0,0|1,0,1]=4 9147 B11R0.155 CCCCOC(C)C(C)CCC 7a_100000708338_100000210211 [1,1,0,0,0,0|1,0,1]=4 9148 B11R0.155 CCCN(C)C(=O)CCCCO 1626a_100000747261_100000695505 [1,1,0,0,0,0|2,0,0]=4 9149 B11R0.155 CCCN(C)C(=O)CCCOC 11a_100000747261_100000741012 [1,1,0,0,0,0|2,0,0]=4 9150 B11R0.155 CCCN(C)C(=O)CCCOC 1626a_100000747261_100000741012 [1,1,0,0,0,0|2,0,0]=4 9151 B11R0.155 CCCN(C)C(=O)CCCOC 240690a_100000747261_100000741012 [1,1,0,0,0,0|2,0,0]=4 9152 B11R0.155 CCCN(C)C(=O)CCCOC 527a_100000747261_100000741012 [1,1,0,0,0,0|2,0,0]=4 9153 B11R0.155 CCCN(C)C(=O)CCCSC 11a_100000747261_100000173376 [1,1,0,0,0,0|2,0,0]=4 9154 B11R0.155 CCCN(C)C(=O)CCCSC 1626a_100000747261_100000173376 [1,1,0,0,0,0|2,0,0]=4 9155 B11R0.155 CCCN(C)C(=O)CCCSC 240690a_100000747261_100000173376 [1,1,0,0,0,0|2,0,0]=4 9156 B11R0.155 CCCN(C)C(=O)CCCSC 527a_100000747261_100000173376 [1,1,0,0,0,0|2,0,0]=4 9157 B11R0.155 CCCN(C)C(=O)CCOCC 11a_100000747261_100000749530 [1,1,0,0,0,0|2,0,0]=4 9158 B11R0.155 CCCN(C)C(=O)CCOCC 1626a_100000747261_100000749530 [1,1,0,0,0,0|2,0,0]=4 9159 B11R0.155 CCCN(C)C(=O)CCOCC 240690a_100000747261_100000749530 [1,1,0,0,0,0|2,0,0]=4 9160 B11R0.155 CCCN(C)C(=O)CCOCC 527a_100000747261_100000749530 [1,1,0,0,0,0|2,0,0]=4 9161 B11R0.155 CCCN(C)C(=O)CCSCC 11a_100000747261_100000230768 [1,1,0,0,0,0|2,0,0]=4 9162 B11R0.155 CCCN(C)C(=O)CCSCC 1626a_100000747261_100000230768 [1,1,0,0,0,0|2,0,0]=4 9163 B11R0.155 CCCN(C)C(=O)CCSCC 240690a_100000747261_100000230768 [1,1,0,0,0,0|2,0,0]=4 9164 B11R0.155 CCCN(C)C(=O)CCSCC 527a_100000747261_100000230768 [1,1,0,0,0,0|2,0,0]=4 9165 B11R0.155 CCCNNC(=O)C(C)CCC 22a_100000740057_100000210906 [1,1,0,0,0,0|2,0,0]=4 9166 B11R0.155 CCCNNC(=O)[C@@H](O)CCC 22a_100000740057_100009822183 [1,1,0,0,0,0|2,0,0]=4 9167 B11R0.155 CCCOCC(=O)C(C)CCC 1458a_100000745993_100000766640 [1,1,0,0,0,0|1,0,0]=3 9168 B11R0.155 CCCOCC(=O)C(C)CCO 1458a_100000745993_100009893172 [1,1,0,0,0,0|2,0,0]=4 9169 B11R0.155 CCCOCC(=O)C(C)COC 1458a_100000745993_100000765312 [1,1,0,0,0,0|2,0,0]=4 9170 B11R0.155 CCCOCC(=O)N(C)CCC 11a_100000747261_100000745993 [1,1,0,0,0,0|2,0,0]=4 9171 B11R0.155 CCCOCC(=O)N(C)CCC 1626a_100000747261_100000745993 [1,1,0,0,0,0|2,0,0]=4 9172 B11R0.155 CCCOCC(=O)N(C)CCC 240690a_100000747261_100000745993 [1,1,0,0,0,0|2,0,0]=4 9173 B11R0.155 CCCOCC(=O)N(C)CCC 527a_100000747261_100000745993 [1,1,0,0,0,0|2,0,0]=4 9174 B11R0.155 CCCSCC(=O)C(C)CCC 1458a_100000217233_100000766640 [1,1,0,0,0,0|1,0,0]=3 9175 B11R0.155 CCCSCC(=O)C(C)CCO 1458a_100000217233_100009893172 [1,1,0,0,0,0|2,0,0]=4 9176 B11R0.155 CCCSCC(=O)C(C)COC 1458a_100000217233_100000765312 [1,1,0,0,0,0|2,0,0]=4 9177 B11R0.155 CCCSCC(=O)N(C)CCC 11a_100000747261_100000217233 [1,1,0,0,0,0|2,0,0]=4 9178 B11R0.155 CCCSCC(=O)N(C)CCC 1626a_100000747261_100000217233 [1,1,0,0,0,0|2,0,0]=4 9179 B11R0.155 CCCSCC(=O)N(C)CCC 240690a_100000747261_100000217233 [1,1,0,0,0,0|2,0,0]=4 9180 B11R0.155 CCCSCC(=O)N(C)CCC 527a_100000747261_100000217233 [1,1,0,0,0,0|2,0,0]=4 9181 B11R0.155 CCC[C@H](O)C(=O)CCCC#N 1458a_100009822183_100000211468 [1,1,0,0,0,0|1,0,1]=4 9182 B11R0.155 CCC[C@H](O)C(=O)CCCCF 1458a_100009822183_100000729493 [1,1,0,0,0,0|1,0,0]=3 9183 B11R0.155 CCC[C@H](O)C(=O)CCCCO 1458a_100009822183_100000210776 [1,1,0,0,0,0|1,0,0]=3 9184 B11R0.155 CCC[C@H](O)C(=O)CCCOC 1458a_100009822183_100000740836 [1,1,0,0,0,0|1,0,0]=3 9185 B11R0.155 CCC[C@H](O)C(=O)CCOCC 1458a_100009822183_100011215890 [1,1,0,0,0,0|1,0,0]=3 9186 B11R0.155 CCC[C@H](O)C(=O)CCSCC 1458a_100009822183_100000757381 [1,1,0,0,0,0|1,0,0]=3 9187 B11R0.155 CCC[C@H](O)C(=O)NCCCF 240690a_100015189416_100009822183 [1,1,0,0,0,0|2,0,0]=4 9188 B11R0.155 CCC[C@H](O)C(=O)NCCCO 240690a_100000182051_100009822183 [1,1,0,0,0,0|2,0,0]=4 9189 B11R0.155 CCC[C@H](O)C(=O)NCCOC 240690a_100000209980_100009822183 [1,1,0,0,0,0|2,0,0]=4 9190 B11R0.155 CCC[C@H](O)C(=O)NCCSC 240690a_100020590264_100009822183 [1,1,0,0,0,0|2,0,0]=4 9191 B11R0.155 CCOC(C)C(=O)CCCCF 1458a_100000739345_100000729493 [1,1,0,0,0,0|2,0,0]=4 9192 B11R0.155 CCOC(C)C(=O)CCCCO 1458a_100000739345_100000210776 [1,1,0,0,0,0|2,0,0]=4 9193 B11R0.155 CCOC(C)C(=O)CCCOC 1458a_100000739345_100000740836 [1,1,0,0,0,0|2,0,0]=4 9194 B11R0.155 CCOC(C)C(=O)CCSCC 1458a_100000739345_100000757381 [1,1,0,0,0,0|2,0,0]=4 9195 B11R0.155 CCOCCC(=O)C(C)CCO 1458a_100000749530_100009893172 [1,1,0,0,0,0|2,0,0]=4 9196 B11R0.155 CCOCCC(=O)C(C)COC 1458a_100000749530_100000765312 [1,1,0,0,0,0|2,0,0]=4 9197 B11R0.155 CCOCCC(=O)C(C)COC 1458a_100000751857_100011215890 [1,1,0,0,0,0|2,0,0]=4 9198 B11R0.155 CCOCCC(=O)C(C)CSC 1458a_100000753918_100011215890 [1,1,0,0,0,0|2,0,0]=4 9199 B11R0.155 CCOCCC(=O)C(C)OCC 1458a_100000739345_100011215890 [1,1,0,0,0,0|2,0,0]=4 9200 B11R0.155 CCOCCC(=O)C(C)SCC 1458a_100000230601_100011215890 [1,1,0,0,0,0|2,0,0]=4 9201 B11R0.155 CCSC(C)C(=O)CCCCF 1458a_100000230601_100000729493 [1,1,0,0,0,0|2,0,0]=4 9202 B11R0.155 CCSC(C)C(=O)CCCCO 1458a_100000230601_100000210776 [1,1,0,0,0,0|2,0,0]=4 9203 B11R0.155 CCSC(C)C(=O)CCCOC 1458a_100000230601_100000740836 [1,1,0,0,0,0|2,0,0]=4 9204 B11R0.155 CCSCCC(=O)C(C)CCO 1458a_100000230768_100009893172 [1,1,0,0,0,0|2,0,0]=4 9205 B11R0.155 CCSCCC(=O)C(C)COC 1458a_100000230768_100000765312 [1,1,0,0,0,0|2,0,0]=4 9206 B11R0.155 CCSCCC(=O)C(C)COC 1458a_100000751857_100000757381 [1,1,0,0,0,0|2,0,0]=4 9207 B11R0.155 CCSCCC(=O)C(C)CSC 1458a_100000753918_100000757381 [1,1,0,0,0,0|2,0,0]=4 9208 B11R0.155 CCSCCC(=O)C(C)SCC 1458a_100000230601_100000757381 [1,1,0,0,0,0|2,0,0]=4 9209 B11R0.155 COCC(C)C(=O)CCCCF 1458a_100000751857_100000729493 [1,1,0,0,0,0|2,0,0]=4 9210 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000695505_100000765312 [1,1,0,0,0,0|2,0,0]=4 9211 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000751857_100000210776 [1,1,0,0,0,0|2,0,0]=4 9212 B11R0.155 COCC(C)C(=O)CCCSC 1458a_100000173376_100000765312 [1,1,0,0,0,0|2,0,0]=4 9213 B11R0.155 COCCCC(=O)C(C)CCO 1458a_100000741012_100009893172 [1,1,0,0,0,0|2,0,0]=4 9214 B11R0.155 COCCCC(=O)C(C)COC 1458a_100000741012_100000765312 [1,1,0,0,0,0|2,0,0]=4 9215 B11R0.155 COCCCC(=O)C(C)COC 1458a_100000751857_100000740836 [1,1,0,0,0,0|2,0,0]=4 9216 B11R0.155 COCCCC(=O)C(C)CSC 1458a_100000753918_100000740836 [1,1,0,0,0,0|2,0,0]=4 9217 B11R0.155 CSCC(C)C(=O)CCCCF 1458a_100000753918_100000729493 [1,1,0,0,0,0|2,0,0]=4 9218 B11R0.155 CSCC(C)C(=O)CCCCO 1458a_100000753918_100000210776 [1,1,0,0,0,0|2,0,0]=4 9219 B11R0.155 CSCCCC(=O)C(C)CCO 1458a_100000173376_100009893172 [1,1,0,0,0,0|2,0,0]=4 9220 B11R0.321 CCCCCS(=O)(=O)NCCC 270084a_100020643023_100000753860 [1,1,0,0,0,0|2,0,0]=4 9221 B11R0.321 CCCCCS(=O)(=O)NCCC 274078a_100020643023_100000753860 [1,1,0,0,0,0|2,0,0]=4 9222 B11R0.321 CCCCNS(=O)(=O)CCCC 270084a_100000102301_100000212082 [1,1,0,0,0,0|2,0,0]=4 9223 B11R0.321 CCCCNS(=O)(=O)CCCC 274078a_100000102301_100000212082 [1,1,0,0,0,0|2,0,0]=4 9224 B11R0.321 CCCCNS(=O)(=O)CCCC 40a_100000102301_100000054263 [1,1,0,0,0,0|2,0,0]=4 9225 B11R0.321 CCCCOC(C)(C)CCCC 7a_100011219641_100000210211 [1,1,0,0,0,0|1,0,1]=4 9226 B13R0.1 C#CCCCCC(=O)CCCC(C)C 1458a_100000696528_100011214892 [0,2,0,0,0,0|1,0,1]=4 9227 B13R0.1 C#CCCCCC(=O)CCCC(C)C 1458a_100011216857_100010269958 [0,2,0,0,0,0|1,0,1]=4 9228 B13R0.1 C#CCCCCC(=O)CCCC(C)O 1458a_100000696528_200000718107 [0,2,0,0,0,0|1,0,1]=4 9229 B13R0.1 C#CCCCCC(=O)NCCC(C)C 11a_100000210545_100000696528 [0,2,0,0,0,0|1,0,1]=4 9230 B13R0.1 C#CCCCCC(=O)NCCC(C)C 1626a_100000210545_100000696528 [0,2,0,0,0,0|1,0,1]=4 9231 B13R0.1 C#CCCCCC(=O)NCCC(C)C 240690a_100000210545_100000696528 [0,2,0,0,0,0|1,0,1]=4 9232 B13R0.1 C#CCCCCC(=O)NCCC(C)C 527a_100000210545_100000696528 [0,2,0,0,0,0|1,0,1]=4 9233 B13R0.1 C#CCCCCC(=O)NCCC(C)O 240690a_200000755665_100000696528 [0,2,0,0,0,0|1,0,1]=4 9234 B13R0.1 C#CCCCCC(=O)NCCC(C)O 527a_200000755665_100000696528 [0,2,0,0,0,0|1,0,1]=4 9235 B13R0.1 C#CCCCNC(=O)CCCC(C)C 11a_100000718082_100011216857 [0,2,0,0,0,0|1,0,1]=4 9236 B13R0.1 C#CCCCNC(=O)CCCC(C)C 1626a_100000718082_100011216857 [0,2,0,0,0,0|1,0,1]=4 9237 B13R0.1 C#CCCCNC(=O)CCCC(C)C 240690a_100000718082_100011216857 [0,2,0,0,0,0|1,0,1]=4 9238 B13R0.1 C#CCCCNC(=O)CCCC(C)C 527a_100000718082_100011216857 [0,2,0,0,0,0|1,0,1]=4 9239 B13R0.1 C#CCCCNC(=O)CCCC(C)O 1626a_100000718082_100000761597 [0,2,0,0,0,0|1,0,1]=4 9240 B13R0.1 C#CCCCNC(=O)CCCC(C)O 527a_100000718082_100000761597 [0,2,0,0,0,0|1,0,1]=4 9241 B13R0.1 C=C(C)COCC(=O)OCCOCC 34a_100000210245_200000101388 [0,2,0,0,0,0|1,0,1]=4 9242 B13R0.1 C=C(C)CSCC(=O)OCCOCC 62a_100000748629_200000101388 [0,2,0,0,0,0|1,0,1]=4 9243 B13R0.1 C=C(C)CSCC(=O)OCCOCC 62a_200000101388_100000211660 [0,2,0,0,0,0|1,0,1]=4 9244 B13R0.1 C=CCCCCC(=O)CCCC(C)C 1458a_100011215552_100011214892 [0,2,0,0,0,0|1,0,1]=4 9245 B13R0.1 C=CCCCCC(=O)CCCC(C)C 1458a_100011216857_100011215482 [0,2,0,0,0,0|1,0,1]=4 9246 B13R0.1 C=CCCCCC(=O)CCCC(C)O 1458a_100011215552_200000718107 [0,2,0,0,0,0|1,0,1]=4 9247 B13R0.1 C=CCCCCC(=O)NCCC(C)C 11a_100000210545_100011215552 [0,2,0,0,0,0|1,0,1]=4 9248 B13R0.1 C=CCCCCC(=O)NCCC(C)C 1626a_100000210545_100011215552 [0,2,0,0,0,0|1,0,1]=4 9249 B13R0.1 C=CCCCCC(=O)NCCC(C)C 240690a_100000210545_100011215552 [0,2,0,0,0,0|1,0,1]=4 9250 B13R0.1 C=CCCCCC(=O)NCCC(C)C 527a_100000210545_100011215552 [0,2,0,0,0,0|1,0,1]=4 9251 B13R0.1 C=CCCCCC(=O)NCCC(C)O 240690a_200000755665_100011215552 [0,2,0,0,0,0|1,0,1]=4 9252 B13R0.1 C=CCCCCC(=O)NCCC(C)O 527a_200000755665_100011215552 [0,2,0,0,0,0|1,0,1]=4 9253 B13R0.1 C=CCCCNC(=O)CCCC(C)C 11a_100000700776_100011216857 [0,2,0,0,0,0|1,0,1]=4 9254 B13R0.1 C=CCCCNC(=O)CCCC(C)C 1626a_100000700776_100011216857 [0,2,0,0,0,0|1,0,1]=4 9255 B13R0.1 C=CCCCNC(=O)CCCC(C)C 240690a_100000700776_100011216857 [0,2,0,0,0,0|1,0,1]=4 9256 B13R0.1 C=CCCCNC(=O)CCCC(C)C 527a_100000700776_100011216857 [0,2,0,0,0,0|1,0,1]=4 9257 B13R0.1 C=CCCCNC(=O)CCCC(C)O 1626a_100000700776_100000761597 [0,2,0,0,0,0|1,0,1]=4 9258 B13R0.1 C=CCCCNC(=O)CCCC(C)O 527a_100000700776_100000761597 [0,2,0,0,0,0|1,0,1]=4 9259 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [0,2,0,0,0,0|1,0,1]=4 9260 B13R0.1 CC(C)CCCC(=O)CCCCC#N 1458a_100011216857_100000211819 [0,2,0,0,0,0|1,0,1]=4 9261 B13R0.1 CC(C)CCCC(=O)CCCCCF 1458a_100011216857_100000729378 [0,2,0,0,0,0|1,0,0]=3 9262 B13R0.1 CC(C)CCCC(=O)CCCCCO 1458a_100011216857_100000746330 [0,2,0,0,0,0|1,0,0]=3 9263 B13R0.1 CC(C)CCCC(=O)CCCCCO 1458a_100102619762_100011214892 [0,2,0,0,0,0|1,0,0]=3 9264 B13R0.1 CC(C)CCCC(=O)CCOCCO 1458a_100011216857_100011215305 [0,2,0,0,0,0|2,0,0]=4 9265 B13R0.1 CC(C)CCCC(=O)CCOCCO 1458a_100011229844_100011214892 [0,2,0,0,0,0|2,0,0]=4 9266 B13R0.1 CC(C)CCCC(=O)NCCCCO 240690a_100000750430_100011216857 [0,2,0,0,0,0|1,0,0]=3 9267 B13R0.1 CC(C)CCCC(=O)NCCCCO 527a_100000750430_100011216857 [0,2,0,0,0,0|1,0,0]=3 9268 B13R0.1 CC(C)CCCC(C)OCCCCF 34a_200011218570_100000729493 [0,2,0,0,0,0|1,0,1]=4 9269 B13R0.1 CC(C)CCCC(C)OCCCCF 7a_200011218570_100000729493 [0,2,0,0,0,0|1,0,1]=4 9270 B13R0.1 CC(C)CCCC(C)OCCCCO 34a_200011218570_100011216708 [0,2,0,0,0,0|1,0,1]=4 9271 B13R0.1 CC(C)CCCC(C)OCCCCO 7a_200011218570_100000210776 [0,2,0,0,0,0|1,0,1]=4 9272 B13R0.1 CC(C)CCNC(=O)CCCCCO 240690a_100000210545_100102619762 [0,2,0,0,0,0|1,0,0]=3 9273 B13R0.1 CC(C)CCNC(=O)CCOCCO 1626a_100000210545_100011229844 [0,2,0,0,0,0|2,0,0]=4 9274 B13R0.1 CC(C)CCNC(=O)CCOCCO 240690a_100000210545_100011229844 [0,2,0,0,0,0|2,0,0]=4 9275 B13R0.1 CC(C)CCNC(=O)NCCCCO 2708a_100000210545_100000750430 [0,2,0,0,0,0|2,0,0]=4 9276 B13R0.1 CC(C)CCNC(=O)NCCCCO 2708a_100000750430_100000210545 [0,2,0,0,0,0|2,0,0]=4 9277 B13R0.1 CC(C)CCNC(=O)NCCCCO 273464a_100000210545_100000750430 [0,2,0,0,0,0|2,0,0]=4 9278 B13R0.1 CC(C)CCNC(=O)NCCCCO 273464a_100000750430_100000210545 [0,2,0,0,0,0|2,0,0]=4 9279 B13R0.1 CC(C)CCNC(=O)NCCCCO 512a_100000210545_100000750430 [0,2,0,0,0,0|2,0,0]=4 9280 B13R0.1 CC(C)CCNC(=O)NCCCCO 512a_100000750430_100000210545 [0,2,0,0,0,0|2,0,0]=4 9281 B13R0.1 CC(C)CNNC(=O)CCCCCO 22a_100000696102_100102619762 [0,2,0,0,0,0|2,0,0]=4 9282 B13R0.1 CC(C)COCC(=O)CCCCCF 1458a_100011223364_100000729378 [0,2,0,0,0,0|2,0,0]=4 9283 B13R0.1 CC(C)COCC(=O)CCCCCO 1458a_100011223364_100000746330 [0,2,0,0,0,0|2,0,0]=4 9284 B13R0.1 CC(C)COCC(=O)NCCCCO 240690a_100000750430_100011223364 [0,2,0,0,0,0|2,0,0]=4 9285 B13R0.1 CC(C)COCC(=O)NCCCCO 527a_100000750430_100011223364 [0,2,0,0,0,0|2,0,0]=4 9286 B13R0.1 CC(C)OCCC(=O)CCCCCO 1458a_100102619762_100000211751 [0,2,0,0,0,0|2,0,0]=4 9287 B13R0.1 CC(C)SCCC(=O)CCCCCO 1458a_100102619762_100000730970 [0,2,0,0,0,0|2,0,0]=4 9288 B13R0.1 CC(O)CCCC(=O)CCCCCO 1458a_100102619762_200000718107 [0,2,0,0,0,0|1,0,0]=3 9289 B13R0.1 CC(O)CCCC(=O)CCOCCO 1458a_100011229844_200000718107 [0,2,0,0,0,0|2,0,0]=4 9290 B13R0.1 CC(O)CCCC(=O)NCCCCO 527a_100000750430_100000761597 [0,2,0,0,0,0|1,0,0]=3 9291 B13R0.1 CC(O)CCNC(=O)CCCCCO 240690a_200000755665_100102619762 [0,2,0,0,0,0|1,0,0]=3 9292 B13R0.1 CC(O)CCNC(=O)CCOCCO 240690a_200000755665_100011229844 [0,2,0,0,0,0|2,0,0]=4 9293 B13R0.1 CC(O)CCNC(=O)NCCCCO 2708a_100000750430_200000755665 [0,2,0,0,0,0|2,0,0]=4 9294 B13R0.1 CC(O)CCNC(=O)NCCCCO 273464a_200000755665_100000750430 [0,2,0,0,0,0|2,0,0]=4 9295 B13R0.1 CC(O)CCNC(=O)NCCCCO 512a_100000750430_200000755665 [0,2,0,0,0,0|2,0,0]=4 9296 B13R0.1 CC(O)CCNC(=O)NCCCCO 512a_200000755665_100000750430 [0,2,0,0,0,0|2,0,0]=4 9297 B13R0.1 CC(O)CNNC(=O)CCCCCO 22a_200000730056_100102619762 [0,2,0,0,0,0|2,0,0]=4 9298 B13R0.1 CC/C=C\CCC(=O)CCCC(C)C 1458a_100011216857_100015370543 [0,2,0,0,0,0|1,0,1]=4 9299 B13R0.1 CCC/C=C/CC(=O)CCCC(C)C 1458a_200016266809_100011214892 [0,2,0,0,0,0|1,0,1]=4 9300 B13R0.1 CCC/C=C/CC(=O)CCCC(C)O 1458a_200016266809_200000718107 [0,2,0,0,0,0|1,0,1]=4 9301 B13R0.1 CCC/C=C/CC(=O)NCCC(C)C 11a_100000210545_200016266809 [0,2,0,0,0,0|1,0,1]=4 9302 B13R0.1 CCC/C=C/CC(=O)NCCC(C)C 1626a_100000210545_200016266809 [0,2,0,0,0,0|1,0,1]=4 9303 B13R0.1 CCC/C=C/CC(=O)NCCC(C)C 240690a_100000210545_200016266809 [0,2,0,0,0,0|1,0,1]=4 9304 B13R0.1 CCC/C=C/CC(=O)NCCC(C)C 527a_100000210545_200016266809 [0,2,0,0,0,0|1,0,1]=4 9305 B13R0.1 CCC/C=C/CC(=O)NCCC(C)O 240690a_200000755665_200016266809 [0,2,0,0,0,0|1,0,1]=4 9306 B13R0.1 CCC/C=C/CC(=O)NCCC(C)O 527a_200000755665_200016266809 [0,2,0,0,0,0|1,0,1]=4 9307 B13R0.1 CCCCC=CC(=O)CCCC(=O)C 1458a_100016266645_100011215641 [0,2,0,0,0,0|1,0,1]=4 9308 B13R0.1 CCCCC=CC(=O)CCCC(C)C 1458a_100016266645_100011214892 [0,2,0,0,0,0|1,0,0]=3 9309 B13R0.1 CCCCC=CC(=O)CCCC(C)O 1458a_100016266645_200000718107 [0,2,0,0,0,0|1,0,0]=3 9310 B13R0.1 CCCCC=CC(=O)CCCN(C)C 1458a_100016266645_100000695564 [0,2,0,0,0,0|2,0,0]=4 9311 B13R0.1 CCCCC=CC(=O)CCOC(C)C 1458a_100016266645_100000211751 [0,2,0,0,0,0|2,0,0]=4 9312 B13R0.1 CCCCC=CC(=O)CCSC(C)C 1458a_100016266645_100000730970 [0,2,0,0,0,0|2,0,0]=4 9313 B13R0.1 CCCCC=CC(=O)NCCC(C)C 11a_100000210545_100016266645 [0,2,0,0,0,0|1,0,1]=4 9314 B13R0.1 CCCCC=CC(=O)NCCC(C)C 1626a_100000210545_100016266645 [0,2,0,0,0,0|1,0,1]=4 9315 B13R0.1 CCCCC=CC(=O)NCCC(C)C 240690a_100000210545_100016266645 [0,2,0,0,0,0|1,0,1]=4 9316 B13R0.1 CCCCC=CC(=O)NCCC(C)O 240690a_200000755665_100016266645 [0,2,0,0,0,0|1,0,1]=4 9317 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,2,0,0,0,0|1,0,1]=4 9318 B13R0.1 CCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210757 [0,2,0,0,0,0|1,0,0]=3 9319 B13R0.1 CCCCCCC(=O)CCCC(C)C 1458a_100102632555_100011214892 [0,2,0,0,0,0|1,0,0]=3 9320 B13R0.1 CCCCCCC(=O)CCCC(C)O 1458a_100102632555_200000718107 [0,2,0,0,0,0|1,0,0]=3 9321 B13R0.1 CCCCCCC(=O)CCCN(C)C 1458a_100102632555_100000695564 [0,2,0,0,0,0|2,0,0]=4 9322 B13R0.1 CCCCCCC(=O)CCOC(C)C 1458a_100102632555_100000211751 [0,2,0,0,0,0|2,0,0]=4 9323 B13R0.1 CCCCCCC(=O)CCSC(C)C 1458a_100102632555_100000730970 [0,2,0,0,0,0|2,0,0]=4 9324 B13R0.1 CCCCCCC(=O)COCC(C)C 1458a_100011223364_100000210757 [0,2,0,0,0,0|2,0,0]=4 9325 B13R0.1 CCCCCCC(=O)NCCC(C)C 11a_100000210545_100102632555 [0,2,0,0,0,0|1,0,0]=3 9326 B13R0.1 CCCCCCC(=O)NCCC(C)C 1626a_100000210545_100102632555 [0,2,0,0,0,0|1,0,0]=3 9327 B13R0.1 CCCCCCC(=O)NCCC(C)C 240690a_100000210545_100102632555 [0,2,0,0,0,0|1,0,0]=3 9328 B13R0.1 CCCCCCC(=O)NCCC(C)C 527a_100000210545_100102632555 [0,2,0,0,0,0|1,0,0]=3 9329 B13R0.1 CCCCCCC(=O)NCCC(C)O 240690a_200000755665_100102632555 [0,2,0,0,0,0|1,0,0]=3 9330 B13R0.1 CCCCCCC(=O)NCCC(C)O 527a_200000755665_100102632555 [0,2,0,0,0,0|1,0,0]=3 9331 B13R0.1 CCCCCCC(=O)NCCN(C)C 240690a_100000210585_100102632555 [0,2,0,0,0,0|2,0,0]=4 9332 B13R0.1 CCCCCCC(=O)NCCN(C)C 527a_100000210585_100102632555 [0,2,0,0,0,0|2,0,0]=4 9333 B13R0.1 CCCCCCC(=O)NNCC(C)C 22a_100000696102_100102632555 [0,2,0,0,0,0|2,0,0]=4 9334 B13R0.1 CCCCCCC(=O)NNCC(C)O 22a_200000730056_100102632555 [0,2,0,0,0,0|2,0,0]=4 9335 B13R0.1 CCCCCCC(C)OCCC(C)Br 34a_100009893172_100011215978 [0,2,0,0,0,0|1,0,1]=4 9336 B13R0.1 CCCCCCC(C)OCCC(C)C 34a_100000210254_100011215978 [0,2,0,0,0,0|1,0,1]=4 9337 B13R0.1 CCCCCCC(C)OCCC(C)C 34a_100000210265_100000210312 [0,2,0,0,0,0|1,0,1]=4 9338 B13R0.1 CCCCCCC(C)OCCC(C)C 7a_100000210254_100011215978 [0,2,0,0,0,0|1,0,1]=4 9339 B13R0.1 CCCCCCC(C)OCCC(C)C 7a_100000210265_100000210626 [0,2,0,0,0,0|1,0,1]=4 9340 B13R0.1 CCCCCCC(C)OCCC(C)O 34a_100000210265_100012276601 [0,2,0,0,0,0|1,0,1]=4 9341 B13R0.1 CCCCCCC(C)OCCC(C)O 7a_100000210265_100012276601 [0,2,0,0,0,0|1,0,1]=4 9342 B13R0.1 CCCCCCC(C)OCC[C@@H](C)N 34a_100000706166_100011215978 [0,2,0,0,0,0|1,0,1]=4 9343 B13R0.1 CCCCCNC(=O)CCCC(C)C 11a_100000209983_100011216857 [0,2,0,0,0,0|1,0,0]=3 9344 B13R0.1 CCCCCNC(=O)CCCC(C)C 1626a_100000209983_100011216857 [0,2,0,0,0,0|1,0,0]=3 9345 B13R0.1 CCCCCNC(=O)CCCC(C)C 240690a_100000209983_100011216857 [0,2,0,0,0,0|1,0,0]=3 9346 B13R0.1 CCCCCNC(=O)CCCC(C)C 527a_100000209983_100011216857 [0,2,0,0,0,0|1,0,0]=3 9347 B13R0.1 CCCCCNC(=O)CCCC(C)O 1626a_100000209983_100000761597 [0,2,0,0,0,0|1,0,0]=3 9348 B13R0.1 CCCCCNC(=O)CCCC(C)O 527a_100000209983_100000761597 [0,2,0,0,0,0|1,0,0]=3 9349 B13R0.1 CCCCCNC(=O)CCCN(C)C 11a_100000209983_100000740757 [0,2,0,0,0,0|2,0,0]=4 9350 B13R0.1 CCCCCNC(=O)CCCN(C)C 240690a_100000209983_100000740757 [0,2,0,0,0,0|2,0,0]=4 9351 B13R0.1 CCCCCNC(=O)CNCC(C)C 2230a_100000210953_100000230301 [0,2,0,0,0,0|2,0,0]=4 9352 B13R0.1 CCCCCNC(=O)CNCC(C)C 34a_100000210953_100000230301 [0,2,0,0,0,0|2,0,0]=4 9353 B13R0.1 CCCCCNC(=O)CNCC(C)O 2230a_100000210904_100000230301 [0,2,0,0,0,0|2,0,0]=4 9354 B13R0.1 CCCCCNC(=O)CNCC(C)O 34a_100000210904_100000230301 [0,2,0,0,0,0|2,0,0]=4 9355 B13R0.1 CCCCCNC(=O)COCC(C)Br 34a_100012180447_100000230301 [0,2,0,0,0,0|2,0,0]=4 9356 B13R0.1 CCCCCNC(=O)COCC(C)C 11a_100000209983_100011223364 [0,2,0,0,0,0|2,0,0]=4 9357 B13R0.1 CCCCCNC(=O)COCC(C)C 1626a_100000209983_100011223364 [0,2,0,0,0,0|2,0,0]=4 9358 B13R0.1 CCCCCNC(=O)COCC(C)C 240690a_100000209983_100011223364 [0,2,0,0,0,0|2,0,0]=4 9359 B13R0.1 CCCCCNC(=O)COCC(C)C 34a_100000210257_100000230301 [0,2,0,0,0,0|2,0,0]=4 9360 B13R0.1 CCCCCNC(=O)COCC(C)C 527a_100000209983_100011223364 [0,2,0,0,0,0|2,0,0]=4 9361 B13R0.1 CCCCCNC(=O)COCC(C)F 34a_100015925927_100000230301 [0,2,0,0,0,0|2,0,0]=4 9362 B13R0.1 CCCCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000230301 [0,2,0,0,0,0|2,0,0]=4 9363 B13R0.1 CCCCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000230301 [0,2,0,0,0,0|2,0,0]=4 9364 B13R0.1 CCCCCNC(=O)CSCC(C)C 62a_100000210624_100000230301 [0,2,0,0,0,0|2,0,0]=4 9365 B13R0.1 CCCCCNC(=O)CSCC(C)C 62a_100000230301_100000210760 [0,2,0,0,0,0|2,0,0]=4 9366 B13R0.1 CCCCCNC(=O)CSCC(C)O 62a_100000230301_100011218427 [0,2,0,0,0,0|2,0,0]=4 9367 B13R0.1 CCCCCNC(=O)CSCC(C)O 62a_100011218427_100000230301 [0,2,0,0,0,0|2,0,0]=4 9368 B13R0.1 CCCCCNC(=O)CSC[C@@H](C)O 62a_100000230301_100009817552 [0,2,0,0,0,0|2,0,0]=4 9369 B13R0.1 CCCCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000230301 [0,2,0,0,0,0|2,0,0]=4 9370 B13R0.1 CCCCCNC(=O)NCCC(C)C 2708a_100000209983_100000210545 [0,2,0,0,0,0|1,0,0]=3 9371 B13R0.1 CCCCCNC(=O)NCCC(C)C 2708a_100000210545_100000209983 [0,2,0,0,0,0|1,0,0]=3 9372 B13R0.1 CCCCCNC(=O)NCCC(C)C 273464a_100000209983_100000210545 [0,2,0,0,0,0|1,0,0]=3 9373 B13R0.1 CCCCCNC(=O)NCCC(C)C 273464a_100000210545_100000209983 [0,2,0,0,0,0|1,0,0]=3 9374 B13R0.1 CCCCCNC(=O)NCCC(C)C 512a_100000209983_100000210545 [0,2,0,0,0,0|1,0,0]=3 9375 B13R0.1 CCCCCNC(=O)NCCC(C)C 512a_100000210545_100000209983 [0,2,0,0,0,0|1,0,0]=3 9376 B13R0.1 CCCCCNC(=O)NCCC(C)O 2708a_100000209983_200000755665 [0,2,0,0,0,0|1,0,0]=3 9377 B13R0.1 CCCCCNC(=O)NCCC(C)O 273464a_200000755665_100000209983 [0,2,0,0,0,0|1,0,0]=3 9378 B13R0.1 CCCCCNC(=O)NCCC(C)O 512a_100000209983_200000755665 [0,2,0,0,0,0|1,0,0]=3 9379 B13R0.1 CCCCCNC(=O)NCCC(C)O 512a_200000755665_100000209983 [0,2,0,0,0,0|1,0,0]=3 9380 B13R0.1 CCCCCNC(=O)NCCN(C)C 2708a_100000209983_100000210585 [0,2,0,0,0,0|2,0,0]=4 9381 B13R0.1 CCCCCNC(=O)NCCN(C)C 273464a_100000209983_100000210585 [0,2,0,0,0,0|2,0,0]=4 9382 B13R0.1 CCCCCNC(=O)NCCN(C)C 273464a_100000210585_100000209983 [0,2,0,0,0,0|2,0,0]=4 9383 B13R0.1 CCCCCNC(=O)NCCN(C)C 512a_100000209983_100000210585 [0,2,0,0,0,0|2,0,0]=4 9384 B13R0.1 CCCCCNC(=O)NNCC(C)C 273464a_100000209983_100000696102 [0,2,0,0,0,0|2,0,0]=4 9385 B13R0.1 CCCCCNC(=O)NNCC(C)C 512a_100000209983_100000696102 [0,2,0,0,0,0|2,0,0]=4 9386 B13R0.1 CCCCCNC(=O)NNCC(C)C 512a_100000696102_100000209983 [0,2,0,0,0,0|2,0,0]=4 9387 B13R0.1 CCCCCNC(=O)NNCC(C)O 512a_100000209983_200000730056 [0,2,0,0,0,0|2,0,0]=4 9388 B13R0.1 CCCCCNC(=O)NNCC(C)O 512a_200000730056_100000209983 [0,2,0,0,0,0|2,0,0]=4 9389 B13R0.1 CCCCCOC(C)CCCC(C)C 34a_200011218570_100000718602 [0,2,0,0,0,0|1,0,1]=4 9390 B13R0.1 CCCCCOC(C)CCCC(C)C 7a_200011218570_100000210326 [0,2,0,0,0,0|1,0,1]=4 9391 B13R0.1 CCCCNN=C(C)CCCC(C)C 4a_100025702795_100000753411 [0,2,0,0,0,0|2,0,0]=4 9392 B13R0.1 CCCCNNC(=O)CCCC(C)C 22a_100025702795_100011216857 [0,2,0,0,0,0|1,0,0]=3 9393 B13R0.1 CCCCNNC(=O)CCCC(C)O 22a_100025702795_100000761597 [0,2,0,0,0,0|1,0,0]=3 9394 B13R0.1 CCCCNNC(=O)CCCN(C)C 22a_100025702795_100000740757 [0,2,0,0,0,0|2,0,0]=4 9395 B13R0.1 CCCCNNC(=O)COCC(C)C 22a_100025702795_100011223364 [0,2,0,0,0,0|2,0,0]=4 9396 B13R0.1 CCCCNNC(=O)NCCC(C)C 273464a_100000210545_100025702795 [0,2,0,0,0,0|2,0,0]=4 9397 B13R0.1 CCCCNNC(=O)NCCC(C)C 512a_100000210545_100025702795 [0,2,0,0,0,0|2,0,0]=4 9398 B13R0.1 CCCCNNC(=O)NCCC(C)C 512a_100025702795_100000210545 [0,2,0,0,0,0|2,0,0]=4 9399 B13R0.1 CCCCNNC(=O)NCCC(C)O 273464a_200000755665_100025702795 [0,2,0,0,0,0|2,0,0]=4 9400 B13R0.1 CCCCNNC(=O)NCCC(C)O 512a_100025702795_200000755665 [0,2,0,0,0,0|2,0,0]=4 9401 B13R0.1 CCCCNNC(=O)NCCC(C)O 512a_200000755665_100025702795 [0,2,0,0,0,0|2,0,0]=4 9402 B13R0.1 CCCCOCC(=O)C/C=C/C(C)C 1458a_100016292215_100011995733 [0,2,0,0,0,0|0,0,2]=4 9403 B13R0.1 CCCCOCC(=O)CCC=C(C)C 1458a_100000757543_100011217483 [0,2,0,0,0,0|0,0,2]=4 9404 B13R0.1 CCCCOCC(=O)CCCC(=O)C 1458a_100000757543_100011215641 [0,2,0,0,0,0|0,0,1]=3 9405 B13R0.1 CCCCOCC(=O)CCCC(=O)N 1458a_100000757543_100102525003 [0,2,0,0,0,0|1,0,1]=4 9406 B13R0.1 CCCCOCC(=O)CCCC(C)C 1458a_100000757543_100011214892 [0,2,0,0,0,0|0,0,0]=2 9407 B13R0.1 CCCCOCC(=O)CCCC(C)C 1458a_100011216857_100011995733 [0,2,0,0,0,0|0,0,0]=2 9408 B13R0.1 CCCCOCC(=O)CCCC(C)O 1458a_100000757543_200000718107 [0,2,0,0,0,0|0,0,0]=2 9409 B13R0.1 CCCCOCC(=O)CCCN(C)C 1458a_100000757543_100000695564 [0,2,0,0,0,0|1,0,0]=3 9410 B13R0.1 CCCCOCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011995733 [0,2,0,0,0,0|2,0,0]=4 9411 B13R0.1 CCCCOCC(=O)CCNC(=O)C 1458a_100000183196_100011995733 [0,2,0,0,0,0|1,0,1]=4 9412 B13R0.1 CCCCOCC(=O)CCNC(=O)C 1458a_100000757543_100000189650 [0,2,0,0,0,0|1,0,1]=4 9413 B13R0.1 CCCCOCC(=O)CCOC(=O)C 1458a_100000757543_100009814007 [0,2,0,0,0,0|1,0,1]=4 9414 B13R0.1 CCCCOCC(=O)CCOC(C)C 1458a_100000757543_100000211751 [0,2,0,0,0,0|1,0,0]=3 9415 B13R0.1 CCCCOCC(=O)CCSC(=O)C 1458a_100000048949_100011995733 [0,2,0,0,0,0|1,0,1]=4 9416 B13R0.1 CCCCOCC(=O)CCSC(C)C 1458a_100000757543_100000730970 [0,2,0,0,0,0|1,0,0]=3 9417 B13R0.1 CCCCOCC(=O)COCC(C)C 1458a_100011223364_100011995733 [0,2,0,0,0,0|1,0,0]=3 9418 B13R0.1 CCCCOCC(=O)NCCC(C)C 11a_100000210545_100000757543 [0,2,0,0,0,0|1,0,0]=3 9419 B13R0.1 CCCCOCC(=O)NCCC(C)C 1626a_100000210545_100000757543 [0,2,0,0,0,0|1,0,0]=3 9420 B13R0.1 CCCCOCC(=O)NCCC(C)C 240690a_100000210545_100000757543 [0,2,0,0,0,0|1,0,0]=3 9421 B13R0.1 CCCCOCC(=O)NCCC(C)C 527a_100000210545_100000757543 [0,2,0,0,0,0|1,0,0]=3 9422 B13R0.1 CCCCOCC(=O)NCCC(C)O 240690a_200000755665_100000757543 [0,2,0,0,0,0|1,0,0]=3 9423 B13R0.1 CCCCOCC(=O)NCCC(C)O 527a_200000755665_100000757543 [0,2,0,0,0,0|1,0,0]=3 9424 B13R0.1 CCCCOCC(=O)NCCN(C)C 240690a_100000210585_100000757543 [0,2,0,0,0,0|2,0,0]=4 9425 B13R0.1 CCCCOCC(=O)NCCN(C)C 527a_100000210585_100000757543 [0,2,0,0,0,0|2,0,0]=4 9426 B13R0.1 CCCCOCC(=O)NNCC(C)C 22a_100000696102_100000757543 [0,2,0,0,0,0|2,0,0]=4 9427 B13R0.1 CCCCOCC(=O)NNCC(C)O 22a_200000730056_100000757543 [0,2,0,0,0,0|2,0,0]=4 9428 B13R0.1 CCCCOCC(C)OCCC(C)C 34a_100011217071_100000210312 [0,2,0,0,0,0|1,0,1]=4 9429 B13R0.1 CCCCOCC(C)OCCC(C)C 7a_100011217071_100000210626 [0,2,0,0,0,0|1,0,1]=4 9430 B13R0.1 CCCCOCC(C)OCCC(C)O 34a_100011217071_100012276601 [0,2,0,0,0,0|1,0,1]=4 9431 B13R0.1 CCCCOCC(C)OCCC(C)O 7a_100011217071_100012276601 [0,2,0,0,0,0|1,0,1]=4 9432 B13R0.1 CCCCSCC(=O)CCCC(=O)C 1458a_100000191162_100011215641 [0,2,0,0,0,0|0,1,1]=4 9433 B13R0.1 CCCCSCC(=O)CCCC(C)C 1458a_100000191162_100011214892 [0,2,0,0,0,0|0,1,0]=3 9434 B13R0.1 CCCCSCC(=O)CCCC(C)O 1458a_100000191162_200000718107 [0,2,0,0,0,0|0,1,0]=3 9435 B13R0.1 CCCCSCC(=O)CCCN(C)C 1458a_100000191162_100000695564 [0,2,0,0,0,0|1,1,0]=4 9436 B13R0.1 CCCCSCC(=O)CCOC(C)C 1458a_100000191162_100000211751 [0,2,0,0,0,0|1,1,0]=4 9437 B13R0.1 CCCCSCC(=O)CCSC(C)C 1458a_100000191162_100000730970 [0,2,0,0,0,0|1,1,0]=4 9438 B13R0.1 CCCCSCC(=O)NCCC(C)C 11a_100000210545_100000191162 [0,2,0,0,0,0|1,0,0]=3 9439 B13R0.1 CCCCSCC(=O)NCCC(C)C 1626a_100000210545_100000191162 [0,2,0,0,0,0|1,0,0]=3 9440 B13R0.1 CCCCSCC(=O)NCCC(C)C 240690a_100000210545_100000191162 [0,2,0,0,0,0|1,0,0]=3 9441 B13R0.1 CCCCSCC(=O)NCCC(C)C 527a_100000210545_100000191162 [0,2,0,0,0,0|1,0,0]=3 9442 B13R0.1 CCCCSCC(=O)NCCC(C)O 240690a_200000755665_100000191162 [0,2,0,0,0,0|1,0,0]=3 9443 B13R0.1 CCCCSCC(=O)NCCC(C)O 527a_200000755665_100000191162 [0,2,0,0,0,0|1,0,0]=3 9444 B13R0.1 CCCCSCC(=O)NCCN(C)C 240690a_100000210585_100000191162 [0,2,0,0,0,0|2,0,0]=4 9445 B13R0.1 CCCCSCC(=O)NCCN(C)C 527a_100000210585_100000191162 [0,2,0,0,0,0|2,0,0]=4 9446 B13R0.1 CCCCSCC(=O)NNCC(C)C 22a_100000696102_100000191162 [0,2,0,0,0,0|2,0,0]=4 9447 B13R0.1 CCCCSCC(=O)NNCC(C)O 22a_200000730056_100000191162 [0,2,0,0,0,0|2,0,0]=4 9448 B13R0.1 CCCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215938 [0,2,0,0,0,0|1,0,0]=3 9449 B13R0.1 CCCOCCC(=O)COCC(C)C 1458a_100011223364_100011215938 [0,2,0,0,0,0|2,0,0]=4 9450 B13R0.1 CCOCCCC(=O)CCCC(C)C 1458a_100011216857_100012232248 [0,2,0,0,0,0|1,0,0]=3 9451 B13R0.1 CCOCCCC(=O)COCC(C)C 1458a_100011223364_100012232248 [0,2,0,0,0,0|2,0,0]=4 9452 B13R0.1 CCOCCNC(=O)CCCC(C)C 11a_100011200944_100011216857 [0,2,0,0,0,0|1,0,0]=3 9453 B13R0.1 CCOCCNC(=O)CCCC(C)C 1626a_102516460346_100011216857 [0,2,0,0,0,0|1,0,0]=3 9454 B13R0.1 CCOCCNC(=O)CCCC(C)C 240690a_100011200944_100011216857 [0,2,0,0,0,0|1,0,0]=3 9455 B13R0.1 CCOCCNC(=O)CCCC(C)C 527a_100011200944_100011216857 [0,2,0,0,0,0|1,0,0]=3 9456 B13R0.1 CCOCCNC(=O)CCCC(C)O 1626a_102516460346_100000761597 [0,2,0,0,0,0|1,0,0]=3 9457 B13R0.1 CCOCCNC(=O)CCCC(C)O 527a_100011200944_100000761597 [0,2,0,0,0,0|1,0,0]=3 9458 B13R0.1 CCOCCNC(=O)CCCN(C)C 11a_100011200944_100000740757 [0,2,0,0,0,0|2,0,0]=4 9459 B13R0.1 CCOCCNC(=O)CCCN(C)C 240690a_100011200944_100000740757 [0,2,0,0,0,0|2,0,0]=4 9460 B13R0.1 CCOCCNC(=O)COCC(C)C 11a_100011200944_100011223364 [0,2,0,0,0,0|2,0,0]=4 9461 B13R0.1 CCOCCNC(=O)COCC(C)C 1626a_102516460346_100011223364 [0,2,0,0,0,0|2,0,0]=4 9462 B13R0.1 CCOCCNC(=O)COCC(C)C 240690a_100011200944_100011223364 [0,2,0,0,0,0|2,0,0]=4 9463 B13R0.1 CCOCCNC(=O)COCC(C)C 527a_100011200944_100011223364 [0,2,0,0,0,0|2,0,0]=4 9464 B13R0.1 CCOCCNC(=O)NCCC(C)C 2708a_100000210545_100011200944 [0,2,0,0,0,0|2,0,0]=4 9465 B13R0.1 CCOCCNC(=O)NCCC(C)C 2708a_100011200944_100000210545 [0,2,0,0,0,0|2,0,0]=4 9466 B13R0.1 CCOCCNC(=O)NCCC(C)C 273464a_100000210545_102516460346 [0,2,0,0,0,0|2,0,0]=4 9467 B13R0.1 CCOCCNC(=O)NCCC(C)C 273464a_102516460346_100000210545 [0,2,0,0,0,0|2,0,0]=4 9468 B13R0.1 CCOCCNC(=O)NCCC(C)C 512a_100000210545_100011200944 [0,2,0,0,0,0|2,0,0]=4 9469 B13R0.1 CCOCCNC(=O)NCCC(C)C 512a_100011200944_100000210545 [0,2,0,0,0,0|2,0,0]=4 9470 B13R0.1 CCOCCNC(=O)NCCC(C)O 2708a_100011200944_200000755665 [0,2,0,0,0,0|2,0,0]=4 9471 B13R0.1 CCOCCNC(=O)NCCC(C)O 273464a_200000755665_102516460346 [0,2,0,0,0,0|2,0,0]=4 9472 B13R0.1 CCOCCNC(=O)NCCC(C)O 512a_100011200944_200000755665 [0,2,0,0,0,0|2,0,0]=4 9473 B13R0.1 CCOCCNC(=O)NCCC(C)O 512a_200000755665_100011200944 [0,2,0,0,0,0|2,0,0]=4 9474 B13R0.1 CCOCCOC(=O)CNCC(C)C 2230a_100000210953_200000101388 [0,2,0,0,0,0|1,0,0]=3 9475 B13R0.1 CCOCCOC(=O)CNCC(C)C 34a_100000210953_200000101388 [0,2,0,0,0,0|1,0,0]=3 9476 B13R0.1 CCOCCOC(=O)CNCC(C)O 2230a_100000210904_200000101388 [0,2,0,0,0,0|1,0,0]=3 9477 B13R0.1 CCOCCOC(=O)CNCC(C)O 34a_100000210904_200000101388 [0,2,0,0,0,0|1,0,0]=3 9478 B13R0.1 CCOCCOC(=O)CNCC(F)F 34a_100000765723_200000101388 [0,2,0,0,0,0|2,0,0]=4 9479 B13R0.1 CCOCCOC(=O)COCC(=O)C 34a_100000211253_200000101388 [0,2,0,0,0,0|1,0,1]=4 9480 B13R0.1 CCOCCOC(=O)COCC(C)Br 34a_100012180447_200000101388 [0,2,0,0,0,0|1,0,0]=3 9481 B13R0.1 CCOCCOC(=O)COCC(C)C 34a_100000210257_200000101388 [0,2,0,0,0,0|1,0,0]=3 9482 B13R0.1 CCOCCOC(=O)COCC(C)F 34a_100015925927_200000101388 [0,2,0,0,0,0|1,0,0]=3 9483 B13R0.1 CCOCCOC(=O)COCC(F)F 34a_100000743014_200000101388 [0,2,0,0,0,0|2,0,0]=4 9484 B13R0.1 CCOCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200000101388 [0,2,0,0,0,0|1,0,0]=3 9485 B13R0.1 CCOCCOC(=O)COC[C@@H](C)N 34a_100000737577_200000101388 [0,2,0,0,0,0|1,0,0]=3 9486 B13R0.1 CCOCCOC(=O)CSCC(C)C 62a_100000210624_200000101388 [0,2,0,0,0,0|1,0,0]=3 9487 B13R0.1 CCOCCOC(=O)CSCC(C)C 62a_200000101388_100000210760 [0,2,0,0,0,0|1,0,0]=3 9488 B13R0.1 CCOCCOC(=O)CSCC(C)O 62a_100011218427_200000101388 [0,2,0,0,0,0|1,0,0]=3 9489 B13R0.1 CCOCCOC(=O)CSCC(C)O 62a_200000101388_100011218427 [0,2,0,0,0,0|1,0,0]=3 9490 B13R0.1 CCOCCOC(=O)CSCC(F)F 62a_100011934356_200000101388 [0,2,0,0,0,0|2,0,0]=4 9491 B13R0.1 CCOCCOC(=O)CSCC(F)F 62a_200000101388_100011934356 [0,2,0,0,0,0|2,0,0]=4 9492 B13R0.1 CCOCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200000101388 [0,2,0,0,0,0|1,0,0]=3 9493 B13R0.1 CCOCCOC(=O)CSC[C@@H](C)O 62a_200000101388_100009817552 [0,2,0,0,0,0|1,0,0]=3 9494 B13R0.1 CCOCCOC(C)CCCC(C)C 34a_200011218570_100000210147 [0,2,0,0,0,0|1,0,1]=4 9495 B13R0.1 CCOCCOC(C)CCCC(C)C 7a_200011218570_100011215890 [0,2,0,0,0,0|1,0,1]=4 9496 B13R0.1 CCSCCNC(=O)CCCC(C)C 11a_100000106463_100011216857 [0,2,0,0,0,0|1,0,0]=3 9497 B13R0.1 CCSCCNC(=O)CCCC(C)C 1626a_100000106463_100011216857 [0,2,0,0,0,0|1,0,0]=3 9498 B13R0.1 CCSCCNC(=O)CCCC(C)C 240690a_100000106463_100011216857 [0,2,0,0,0,0|1,0,0]=3 9499 B13R0.1 CCSCCNC(=O)CCCC(C)C 527a_100000106463_100011216857 [0,2,0,0,0,0|1,0,0]=3 9500 B13R0.1 CCSCCNC(=O)CCCC(C)O 1626a_100000106463_100000761597 [0,2,0,0,0,0|1,0,0]=3 9501 B13R0.1 CCSCCNC(=O)CCCC(C)O 527a_100000106463_100000761597 [0,2,0,0,0,0|1,0,0]=3 9502 B13R0.1 CCSCCNC(=O)CCCN(C)C 11a_100000106463_100000740757 [0,2,0,0,0,0|2,0,0]=4 9503 B13R0.1 CCSCCNC(=O)CCCN(C)C 240690a_100000106463_100000740757 [0,2,0,0,0,0|2,0,0]=4 9504 B13R0.1 CCSCCNC(=O)COCC(C)C 11a_100000106463_100011223364 [0,2,0,0,0,0|2,0,0]=4 9505 B13R0.1 CCSCCNC(=O)COCC(C)C 1626a_100000106463_100011223364 [0,2,0,0,0,0|2,0,0]=4 9506 B13R0.1 CCSCCNC(=O)COCC(C)C 240690a_100000106463_100011223364 [0,2,0,0,0,0|2,0,0]=4 9507 B13R0.1 CCSCCNC(=O)COCC(C)C 527a_100000106463_100011223364 [0,2,0,0,0,0|2,0,0]=4 9508 B13R0.1 CCSCCNC(=O)NCCC(C)C 2708a_100000106463_100000210545 [0,2,0,0,0,0|2,0,0]=4 9509 B13R0.1 CCSCCNC(=O)NCCC(C)C 2708a_100000210545_100000106463 [0,2,0,0,0,0|2,0,0]=4 9510 B13R0.1 CCSCCNC(=O)NCCC(C)C 273464a_100000106463_100000210545 [0,2,0,0,0,0|2,0,0]=4 9511 B13R0.1 CCSCCNC(=O)NCCC(C)C 273464a_100000210545_100000106463 [0,2,0,0,0,0|2,0,0]=4 9512 B13R0.1 CCSCCNC(=O)NCCC(C)C 512a_100000106463_100000210545 [0,2,0,0,0,0|2,0,0]=4 9513 B13R0.1 CCSCCNC(=O)NCCC(C)C 512a_100000210545_100000106463 [0,2,0,0,0,0|2,0,0]=4 9514 B13R0.1 CCSCCNC(=O)NCCC(C)O 2708a_100000106463_200000755665 [0,2,0,0,0,0|2,0,0]=4 9515 B13R0.1 CCSCCNC(=O)NCCC(C)O 273464a_200000755665_100000106463 [0,2,0,0,0,0|2,0,0]=4 9516 B13R0.1 CCSCCNC(=O)NCCC(C)O 512a_100000106463_200000755665 [0,2,0,0,0,0|2,0,0]=4 9517 B13R0.1 CCSCCNC(=O)NCCC(C)O 512a_200000755665_100000106463 [0,2,0,0,0,0|2,0,0]=4 9518 B13R0.1 CCSCCOC(C)CCCC(C)C 34a_200011218570_100000757381 [0,2,0,0,0,0|1,0,1]=4 9519 B13R0.1 CCSCCOC(C)CCCC(C)C 7a_200011218570_100000757381 [0,2,0,0,0,0|1,0,1]=4 9520 B13R0.1 CN(C)CCCC(=O)CCCCCO 1458a_100102619762_100000695564 [0,2,0,0,0,0|2,0,0]=4 9521 B13R0.1 CN(C)CCCC(=O)NCCCCO 240690a_100000750430_100000740757 [0,2,0,0,0,0|2,0,0]=4 9522 B13R0.1 CN(C)CCNC(=O)CCCCCO 240690a_100000210585_100102619762 [0,2,0,0,0,0|2,0,0]=4 9523 B13R0.1 COCCCCC(=O)CCCC(C)C 1458a_100011216857_100000755781 [0,2,0,0,0,0|1,0,0]=3 9524 B13R0.1 COCCCCC(=O)COCC(C)C 1458a_100011223364_100000755781 [0,2,0,0,0,0|2,0,0]=4 9525 B13R0.1 COCCCNC(=O)CCCC(C)C 1626a_100150723488_100011216857 [0,2,0,0,0,0|1,0,0]=3 9526 B13R0.1 COCCCNC(=O)CCCC(C)C 240690a_100150723488_100011216857 [0,2,0,0,0,0|1,0,0]=3 9527 B13R0.1 COCCCNC(=O)CCCC(C)C 527a_100150723488_100011216857 [0,2,0,0,0,0|1,0,0]=3 9528 B13R0.1 COCCCNC(=O)CCCC(C)O 1626a_100150723488_100000761597 [0,2,0,0,0,0|1,0,0]=3 9529 B13R0.1 COCCCNC(=O)CCCC(C)O 527a_100150723488_100000761597 [0,2,0,0,0,0|1,0,0]=3 9530 B13R0.1 COCCCNC(=O)CCCN(C)C 240690a_100150723488_100000740757 [0,2,0,0,0,0|2,0,0]=4 9531 B13R0.1 COCCCNC(=O)CNCC(C)C 2230a_100000210953_100000183178 [0,2,0,0,0,0|2,0,0]=4 9532 B13R0.1 COCCCNC(=O)CNCC(C)C 34a_100000210953_100000183178 [0,2,0,0,0,0|2,0,0]=4 9533 B13R0.1 COCCCNC(=O)CNCC(C)O 2230a_100000210904_100000183178 [0,2,0,0,0,0|2,0,0]=4 9534 B13R0.1 COCCCNC(=O)CNCC(C)O 34a_100000210904_100000183178 [0,2,0,0,0,0|2,0,0]=4 9535 B13R0.1 COCCCNC(=O)COCC(C)Br 34a_100012180447_100000183178 [0,2,0,0,0,0|2,0,0]=4 9536 B13R0.1 COCCCNC(=O)COCC(C)C 1626a_100150723488_100011223364 [0,2,0,0,0,0|2,0,0]=4 9537 B13R0.1 COCCCNC(=O)COCC(C)C 240690a_100150723488_100011223364 [0,2,0,0,0,0|2,0,0]=4 9538 B13R0.1 COCCCNC(=O)COCC(C)C 34a_100000210257_100000183178 [0,2,0,0,0,0|2,0,0]=4 9539 B13R0.1 COCCCNC(=O)COCC(C)C 527a_100150723488_100011223364 [0,2,0,0,0,0|2,0,0]=4 9540 B13R0.1 COCCCNC(=O)COCC(C)F 34a_100015925927_100000183178 [0,2,0,0,0,0|2,0,0]=4 9541 B13R0.1 COCCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183178 [0,2,0,0,0,0|2,0,0]=4 9542 B13R0.1 COCCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183178 [0,2,0,0,0,0|2,0,0]=4 9543 B13R0.1 COCCCNC(=O)CSCC(C)C 62a_100000183178_100000210760 [0,2,0,0,0,0|2,0,0]=4 9544 B13R0.1 COCCCNC(=O)CSCC(C)O 62a_100000183178_100011218427 [0,2,0,0,0,0|2,0,0]=4 9545 B13R0.1 COCCCNC(=O)CSC[C@@H](C)O 62a_100000183178_100009817552 [0,2,0,0,0,0|2,0,0]=4 9546 B13R0.1 COCCCNC(=O)NCCC(C)C 2708a_100000210545_100150723488 [0,2,0,0,0,0|2,0,0]=4 9547 B13R0.1 COCCCNC(=O)NCCC(C)C 2708a_100150723488_100000210545 [0,2,0,0,0,0|2,0,0]=4 9548 B13R0.1 COCCCNC(=O)NCCC(C)C 273464a_100000210545_100150723488 [0,2,0,0,0,0|2,0,0]=4 9549 B13R0.1 COCCCNC(=O)NCCC(C)C 273464a_100150723488_100000210545 [0,2,0,0,0,0|2,0,0]=4 9550 B13R0.1 COCCCNC(=O)NCCC(C)C 512a_100000210545_100150723488 [0,2,0,0,0,0|2,0,0]=4 9551 B13R0.1 COCCCNC(=O)NCCC(C)O 2708a_100150723488_200000755665 [0,2,0,0,0,0|2,0,0]=4 9552 B13R0.1 COCCCNC(=O)NCCC(C)O 273464a_200000755665_100150723488 [0,2,0,0,0,0|2,0,0]=4 9553 B13R0.1 COCCCNC(=O)NCCC(C)O 512a_200000755665_100150723488 [0,2,0,0,0,0|2,0,0]=4 9554 B13R0.1 COCCCOC(C)CCCC(C)C 34a_200011218570_100000740836 [0,2,0,0,0,0|1,0,1]=4 9555 B13R0.1 COCCCOC(C)CCCC(C)C 7a_200011218570_100000740836 [0,2,0,0,0,0|1,0,1]=4 9556 B13R0.1 COCCNNC(=O)CCCC(C)C 22a_100000741390_100011216857 [0,2,0,0,0,0|2,0,0]=4 9557 B13R0.1 COCCNNC(=O)CCCC(C)O 22a_100000741390_100000761597 [0,2,0,0,0,0|2,0,0]=4 9558 B13R0.1 COCCOCC(=O)CCCC(=O)C 1458a_100000211095_100011215641 [0,2,0,0,0,0|1,0,1]=4 9559 B13R0.1 COCCOCC(=O)CCCC(C)C 1458a_100000211095_100011214892 [0,2,0,0,0,0|1,0,0]=3 9560 B13R0.1 COCCOCC(=O)CCCC(C)O 1458a_100000211095_200000718107 [0,2,0,0,0,0|1,0,0]=3 9561 B13R0.1 COCCOCC(=O)CCCN(C)C 1458a_100000211095_100000695564 [0,2,0,0,0,0|2,0,0]=4 9562 B13R0.1 COCCOCC(=O)CCOC(C)C 1458a_100000211095_100000211751 [0,2,0,0,0,0|2,0,0]=4 9563 B13R0.1 COCCOCC(=O)CCSC(C)C 1458a_100000211095_100000730970 [0,2,0,0,0,0|2,0,0]=4 9564 B13R0.1 COCCOCC(=O)NCCC(C)C 11a_100000210545_100000211095 [0,2,0,0,0,0|2,0,0]=4 9565 B13R0.1 COCCOCC(=O)NCCC(C)C 1626a_100000210545_100000211095 [0,2,0,0,0,0|2,0,0]=4 9566 B13R0.1 COCCOCC(=O)NCCC(C)C 240690a_100000210545_100000211095 [0,2,0,0,0,0|2,0,0]=4 9567 B13R0.1 COCCOCC(=O)NCCC(C)C 527a_100000210545_100000211095 [0,2,0,0,0,0|2,0,0]=4 9568 B13R0.1 COCCOCC(=O)NCCC(C)O 240690a_200000755665_100000211095 [0,2,0,0,0,0|2,0,0]=4 9569 B13R0.1 COCCOCC(=O)NCCC(C)O 527a_200000755665_100000211095 [0,2,0,0,0,0|2,0,0]=4 9570 B13R0.1 CSCCCNC(=O)CCCC(C)C 11a_100000749238_100011216857 [0,2,0,0,0,0|1,0,0]=3 9571 B13R0.1 CSCCCNC(=O)CCCC(C)C 1626a_100000749238_100011216857 [0,2,0,0,0,0|1,0,0]=3 9572 B13R0.1 CSCCCNC(=O)CCCC(C)C 240690a_100000749238_100011216857 [0,2,0,0,0,0|1,0,0]=3 9573 B13R0.1 CSCCCNC(=O)CCCC(C)C 527a_100000749238_100011216857 [0,2,0,0,0,0|1,0,0]=3 9574 B13R0.1 CSCCCNC(=O)CCCC(C)O 1626a_100000749238_100000761597 [0,2,0,0,0,0|1,0,0]=3 9575 B13R0.1 CSCCCNC(=O)CCCC(C)O 527a_100000749238_100000761597 [0,2,0,0,0,0|1,0,0]=3 9576 B13R0.1 CSCCCNC(=O)CCCN(C)C 11a_100000749238_100000740757 [0,2,0,0,0,0|2,0,0]=4 9577 B13R0.1 CSCCCNC(=O)CCCN(C)C 240690a_100000749238_100000740757 [0,2,0,0,0,0|2,0,0]=4 9578 B13R0.1 CSCCCNC(=O)COCC(C)C 11a_100000749238_100011223364 [0,2,0,0,0,0|2,0,0]=4 9579 B13R0.1 CSCCCNC(=O)COCC(C)C 1626a_100000749238_100011223364 [0,2,0,0,0,0|2,0,0]=4 9580 B13R0.1 CSCCCNC(=O)COCC(C)C 240690a_100000749238_100011223364 [0,2,0,0,0,0|2,0,0]=4 9581 B13R0.1 CSCCCNC(=O)COCC(C)C 527a_100000749238_100011223364 [0,2,0,0,0,0|2,0,0]=4 9582 B13R0.1 CSCCCNC(=O)NCCC(C)C 2708a_100000210545_100000749238 [0,2,0,0,0,0|2,0,0]=4 9583 B13R0.1 CSCCCNC(=O)NCCC(C)C 2708a_100000749238_100000210545 [0,2,0,0,0,0|2,0,0]=4 9584 B13R0.1 CSCCCNC(=O)NCCC(C)C 273464a_100000210545_100000749238 [0,2,0,0,0,0|2,0,0]=4 9585 B13R0.1 CSCCCNC(=O)NCCC(C)C 273464a_100000749238_100000210545 [0,2,0,0,0,0|2,0,0]=4 9586 B13R0.1 CSCCCNC(=O)NCCC(C)C 512a_100000210545_100000749238 [0,2,0,0,0,0|2,0,0]=4 9587 B13R0.1 CSCCCNC(=O)NCCC(C)C 512a_100000749238_100000210545 [0,2,0,0,0,0|2,0,0]=4 9588 B13R0.1 CSCCCNC(=O)NCCC(C)O 2708a_100000749238_200000755665 [0,2,0,0,0,0|2,0,0]=4 9589 B13R0.1 CSCCCNC(=O)NCCC(C)O 273464a_200000755665_100000749238 [0,2,0,0,0,0|2,0,0]=4 9590 B13R0.1 CSCCCNC(=O)NCCC(C)O 512a_100000749238_200000755665 [0,2,0,0,0,0|2,0,0]=4 9591 B13R0.1 CSCCCNC(=O)NCCC(C)O 512a_200000755665_100000749238 [0,2,0,0,0,0|2,0,0]=4 9592 B13R0.165 C#CCCCCC(=O)C=CCCCC 1458a_100016266645_100010269958 [0,2,0,0,0,0|1,0,1]=4 9593 B13R0.165 C#CCCCCC(=O)CCCCCC 1458a_100000696528_100000210757 [0,2,0,0,0,0|1,0,1]=4 9594 B13R0.165 C#CCCCCC(=O)CCCCCC 1458a_100102632555_100010269958 [0,2,0,0,0,0|1,0,1]=4 9595 B13R0.165 C#CCCCCC(=O)CCCCCF 1458a_100000696528_100000729378 [0,2,0,0,0,0|1,0,1]=4 9596 B13R0.165 C#CCCCCC(=O)CCCCCO 1458a_100000696528_100000746330 [0,2,0,0,0,0|1,0,1]=4 9597 B13R0.165 C#CCCCCC(=O)CCCCCO 1458a_100102619762_100010269958 [0,2,0,0,0,0|1,0,1]=4 9598 B13R0.165 C#CCCCCC(=O)CCCCOC 1458a_100000696528_100000755781 [0,2,0,0,0,0|1,0,1]=4 9599 B13R0.165 C#CCCCCC(=O)CCCOCC 1458a_100000696528_100012232248 [0,2,0,0,0,0|1,0,1]=4 9600 B13R0.165 C#CCCCCC(=O)CCOCCC 1458a_100000696528_100011215938 [0,2,0,0,0,0|1,0,1]=4 9601 B13R0.165 C#CCCCCC(=O)COCCCC 1458a_100000696528_100011995733 [0,2,0,0,0,0|0,0,1]=3 9602 B13R0.165 C#CCCCCC(=O)COCCCC 1458a_100000757543_100010269958 [0,2,0,0,0,0|0,0,1]=3 9603 B13R0.165 C#CCCCCC(=O)COCCOC 1458a_100000211095_100010269958 [0,2,0,0,0,0|1,0,1]=4 9604 B13R0.165 C#CCCCCC(=O)CSCCCC 1458a_100000191162_100010269958 [0,2,0,0,0,0|0,1,1]=4 9605 B13R0.165 C#CCCCCC(=O)NCCCCC 11a_100000209983_100000696528 [0,2,0,0,0,0|1,0,1]=4 9606 B13R0.165 C#CCCCCC(=O)NCCCCC 1626a_100000209983_100000696528 [0,2,0,0,0,0|1,0,1]=4 9607 B13R0.165 C#CCCCCC(=O)NCCCCC 240690a_100000209983_100000696528 [0,2,0,0,0,0|1,0,1]=4 9608 B13R0.165 C#CCCCCC(=O)NCCCCC 527a_100000209983_100000696528 [0,2,0,0,0,0|1,0,1]=4 9609 B13R0.165 C#CCCCCC(=O)NCCCCO 240690a_100000750430_100000696528 [0,2,0,0,0,0|1,0,1]=4 9610 B13R0.165 C#CCCCCC(=O)NCCCCO 527a_100000750430_100000696528 [0,2,0,0,0,0|1,0,1]=4 9611 B13R0.165 C#CCCCCC(=O)NCCCOC 1626a_100150723488_100000696528 [0,2,0,0,0,0|1,0,1]=4 9612 B13R0.165 C#CCCCCC(=O)NCCCOC 240690a_100150723488_100000696528 [0,2,0,0,0,0|1,0,1]=4 9613 B13R0.165 C#CCCCCC(=O)NCCCOC 527a_100150723488_100000696528 [0,2,0,0,0,0|1,0,1]=4 9614 B13R0.165 C#CCCCCC(=O)NCCCSC 11a_100000749238_100000696528 [0,2,0,0,0,0|1,0,1]=4 9615 B13R0.165 C#CCCCCC(=O)NCCCSC 1626a_100000749238_100000696528 [0,2,0,0,0,0|1,0,1]=4 9616 B13R0.165 C#CCCCCC(=O)NCCCSC 240690a_100000749238_100000696528 [0,2,0,0,0,0|1,0,1]=4 9617 B13R0.165 C#CCCCCC(=O)NCCCSC 527a_100000749238_100000696528 [0,2,0,0,0,0|1,0,1]=4 9618 B13R0.165 C#CCCCCC(=O)NCCOCC 11a_100011200944_100000696528 [0,2,0,0,0,0|1,0,1]=4 9619 B13R0.165 C#CCCCCC(=O)NCCOCC 1626a_102516460346_100000696528 [0,2,0,0,0,0|1,0,1]=4 9620 B13R0.165 C#CCCCCC(=O)NCCOCC 240690a_100011200944_100000696528 [0,2,0,0,0,0|1,0,1]=4 9621 B13R0.165 C#CCCCCC(=O)NCCOCC 527a_100011200944_100000696528 [0,2,0,0,0,0|1,0,1]=4 9622 B13R0.165 C#CCCCCC(=O)NCCSCC 11a_100000106463_100000696528 [0,2,0,0,0,0|1,0,1]=4 9623 B13R0.165 C#CCCCCC(=O)NCCSCC 1626a_100000106463_100000696528 [0,2,0,0,0,0|1,0,1]=4 9624 B13R0.165 C#CCCCCC(=O)NCCSCC 240690a_100000106463_100000696528 [0,2,0,0,0,0|1,0,1]=4 9625 B13R0.165 C#CCCCCC(=O)NCCSCC 527a_100000106463_100000696528 [0,2,0,0,0,0|1,0,1]=4 9626 B13R0.165 C#CCCCCC(=O)NNCCCC 22a_100025702795_100000696528 [0,2,0,0,0,0|1,0,1]=4 9627 B13R0.165 C#CCCCNC(=O)CCCCCC 11a_100000718082_100102632555 [0,2,0,0,0,0|1,0,1]=4 9628 B13R0.165 C#CCCCNC(=O)CCCCCC 1626a_100000718082_100102632555 [0,2,0,0,0,0|1,0,1]=4 9629 B13R0.165 C#CCCCNC(=O)CCCCCC 240690a_100000718082_100102632555 [0,2,0,0,0,0|1,0,1]=4 9630 B13R0.165 C#CCCCNC(=O)CCCCCC 527a_100000718082_100102632555 [0,2,0,0,0,0|1,0,1]=4 9631 B13R0.165 C#CCCCNC(=O)CCCCCO 240690a_100000718082_100102619762 [0,2,0,0,0,0|1,0,1]=4 9632 B13R0.165 C#CCCCNC(=O)COCCCC 11a_100000718082_100000757543 [0,2,0,0,0,0|0,0,2]=4 9633 B13R0.165 C#CCCCNC(=O)COCCCC 1626a_100000718082_100000757543 [0,2,0,0,0,0|0,0,2]=4 9634 B13R0.165 C#CCCCNC(=O)COCCCC 240690a_100000718082_100000757543 [0,2,0,0,0,0|0,0,2]=4 9635 B13R0.165 C#CCCCNC(=O)COCCCC 527a_100000718082_100000757543 [0,2,0,0,0,0|0,0,2]=4 9636 B13R0.165 C#CCCCNC(=O)CSCCCC 11a_100000718082_100000191162 [0,2,0,0,0,0|1,0,1]=4 9637 B13R0.165 C#CCCCNC(=O)CSCCCC 1626a_100000718082_100000191162 [0,2,0,0,0,0|1,0,1]=4 9638 B13R0.165 C#CCCCNC(=O)CSCCCC 240690a_100000718082_100000191162 [0,2,0,0,0,0|1,0,1]=4 9639 B13R0.165 C#CCCCNC(=O)CSCCCC 527a_100000718082_100000191162 [0,2,0,0,0,0|1,0,1]=4 9640 B13R0.165 C#CCCCNC(=O)NCCCCC 2708a_100000209983_100000718082 [0,2,0,0,0,0|1,0,1]=4 9641 B13R0.165 C#CCCCNC(=O)NCCCCC 2708a_100000718082_100000209983 [0,2,0,0,0,0|1,0,1]=4 9642 B13R0.165 C#CCCCNC(=O)NCCCCC 273464a_100000209983_100000718082 [0,2,0,0,0,0|1,0,1]=4 9643 B13R0.165 C#CCCCNC(=O)NCCCCC 273464a_100000718082_100000209983 [0,2,0,0,0,0|1,0,1]=4 9644 B13R0.165 C#CCCCNC(=O)NCCCCC 512a_100000209983_100000718082 [0,2,0,0,0,0|1,0,1]=4 9645 B13R0.165 C#CCCCNC(=O)NCCCCC 512a_100000718082_100000209983 [0,2,0,0,0,0|1,0,1]=4 9646 B13R0.165 C#CCCNCC(=O)OCCOCC 34a_100000755551_200000101388 [0,2,0,0,0,0|0,0,2]=4 9647 B13R0.165 C#CCCOCC(=O)NCCCCC 34a_100011215631_100000230301 [0,2,0,0,0,0|0,0,2]=4 9648 B13R0.165 C#CCCOCC(=O)OCCOCC 34a_100011215631_200000101388 [0,2,0,0,0,0|0,0,2]=4 9649 B13R0.165 C#CCCSCC(=O)OCCOCC 62a_100000688953_200000101388 [0,2,0,0,0,0|0,0,2]=4 9650 B13R0.165 C#CCCSCC(=O)OCCOCC 62a_200000101388_100000688953 [0,2,0,0,0,0|0,0,2]=4 9651 B13R0.165 C#CCOCCC(=O)COCCCC 1458a_100000693358_100011995733 [0,2,0,0,0,0|0,0,2]=4 9652 B13R0.165 C#CCOCCC(=O)COCCCC 1458a_100000757543_100010402529 [0,2,0,0,0,0|0,0,2]=4 9653 B13R0.165 C/C=C/COCC(=O)NCCCCC 34a_100016270725_100000230301 [0,2,0,0,0,0|0,0,2]=4 9654 B13R0.165 C/C=C/COCC(=O)OCCOCC 34a_100016270725_200000101388 [0,2,0,0,0,0|0,0,2]=4 9655 B13R0.165 C/C=C/CSCC(=O)OCCOCC 62a_100102629194_200000101388 [0,2,0,0,0,0|0,0,2]=4 9656 B13R0.165 C/C=C/CSCC(=O)OCCOCC 62a_200000101388_100102629194 [0,2,0,0,0,0|0,0,2]=4 9657 B13R0.165 C=CCCCCC(=O)C=CCCCC 1458a_100016266645_100011215482 [0,2,0,0,0,0|1,0,1]=4 9658 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [0,2,0,0,0,0|1,0,1]=4 9659 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [0,2,0,0,0,0|1,0,1]=4 9660 B13R0.165 C=CCCCCC(=O)CCCCCF 1458a_100011215552_100000729378 [0,2,0,0,0,0|1,0,1]=4 9661 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100011215552_100000746330 [0,2,0,0,0,0|1,0,1]=4 9662 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100102619762_100011215482 [0,2,0,0,0,0|1,0,1]=4 9663 B13R0.165 C=CCCCCC(=O)CCCCOC 1458a_100011215552_100000755781 [0,2,0,0,0,0|1,0,1]=4 9664 B13R0.165 C=CCCCCC(=O)CCCOCC 1458a_100011215552_100012232248 [0,2,0,0,0,0|1,0,1]=4 9665 B13R0.165 C=CCCCCC(=O)CCOCCC 1458a_100011215552_100011215938 [0,2,0,0,0,0|1,0,1]=4 9666 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100000757543_100011215482 [0,2,0,0,0,0|0,0,1]=3 9667 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100011215552_100011995733 [0,2,0,0,0,0|0,0,1]=3 9668 B13R0.165 C=CCCCCC(=O)COCCOC 1458a_100000211095_100011215482 [0,2,0,0,0,0|1,0,1]=4 9669 B13R0.165 C=CCCCCC(=O)CSCCCC 1458a_100000191162_100011215482 [0,2,0,0,0,0|0,1,1]=4 9670 B13R0.165 C=CCCCCC(=O)NCCCCC 11a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 9671 B13R0.165 C=CCCCCC(=O)NCCCCC 1626a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 9672 B13R0.165 C=CCCCCC(=O)NCCCCC 240690a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 9673 B13R0.165 C=CCCCCC(=O)NCCCCC 527a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 9674 B13R0.165 C=CCCCCC(=O)NCCCCO 240690a_100000750430_100011215552 [0,2,0,0,0,0|1,0,1]=4 9675 B13R0.165 C=CCCCCC(=O)NCCCCO 527a_100000750430_100011215552 [0,2,0,0,0,0|1,0,1]=4 9676 B13R0.165 C=CCCCCC(=O)NCCCOC 1626a_100150723488_100011215552 [0,2,0,0,0,0|1,0,1]=4 9677 B13R0.165 C=CCCCCC(=O)NCCCOC 240690a_100150723488_100011215552 [0,2,0,0,0,0|1,0,1]=4 9678 B13R0.165 C=CCCCCC(=O)NCCCOC 527a_100150723488_100011215552 [0,2,0,0,0,0|1,0,1]=4 9679 B13R0.165 C=CCCCCC(=O)NCCCSC 11a_100000749238_100011215552 [0,2,0,0,0,0|1,0,1]=4 9680 B13R0.165 C=CCCCCC(=O)NCCCSC 1626a_100000749238_100011215552 [0,2,0,0,0,0|1,0,1]=4 9681 B13R0.165 C=CCCCCC(=O)NCCCSC 240690a_100000749238_100011215552 [0,2,0,0,0,0|1,0,1]=4 9682 B13R0.165 C=CCCCCC(=O)NCCCSC 527a_100000749238_100011215552 [0,2,0,0,0,0|1,0,1]=4 9683 B13R0.165 C=CCCCCC(=O)NCCOCC 11a_100011200944_100011215552 [0,2,0,0,0,0|1,0,1]=4 9684 B13R0.165 C=CCCCCC(=O)NCCOCC 1626a_102516460346_100011215552 [0,2,0,0,0,0|1,0,1]=4 9685 B13R0.165 C=CCCCCC(=O)NCCOCC 240690a_100011200944_100011215552 [0,2,0,0,0,0|1,0,1]=4 9686 B13R0.165 C=CCCCCC(=O)NCCOCC 527a_100011200944_100011215552 [0,2,0,0,0,0|1,0,1]=4 9687 B13R0.165 C=CCCCCC(=O)NCCSCC 11a_100000106463_100011215552 [0,2,0,0,0,0|1,0,1]=4 9688 B13R0.165 C=CCCCCC(=O)NCCSCC 1626a_100000106463_100011215552 [0,2,0,0,0,0|1,0,1]=4 9689 B13R0.165 C=CCCCCC(=O)NCCSCC 240690a_100000106463_100011215552 [0,2,0,0,0,0|1,0,1]=4 9690 B13R0.165 C=CCCCCC(=O)NCCSCC 527a_100000106463_100011215552 [0,2,0,0,0,0|1,0,1]=4 9691 B13R0.165 C=CCCCCC(=O)NNCCCC 22a_100025702795_100011215552 [0,2,0,0,0,0|1,0,1]=4 9692 B13R0.165 C=CCCCNC(=O)CCCCCC 11a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 9693 B13R0.165 C=CCCCNC(=O)CCCCCC 1626a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 9694 B13R0.165 C=CCCCNC(=O)CCCCCC 240690a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 9695 B13R0.165 C=CCCCNC(=O)CCCCCC 527a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 9696 B13R0.165 C=CCCCNC(=O)CCCCCO 240690a_100000700776_100102619762 [0,2,0,0,0,0|1,0,1]=4 9697 B13R0.165 C=CCCCNC(=O)COCCCC 11a_100000700776_100000757543 [0,2,0,0,0,0|0,0,2]=4 9698 B13R0.165 C=CCCCNC(=O)COCCCC 1626a_100000700776_100000757543 [0,2,0,0,0,0|0,0,2]=4 9699 B13R0.165 C=CCCCNC(=O)COCCCC 240690a_100000700776_100000757543 [0,2,0,0,0,0|0,0,2]=4 9700 B13R0.165 C=CCCCNC(=O)COCCCC 527a_100000700776_100000757543 [0,2,0,0,0,0|0,0,2]=4 9701 B13R0.165 C=CCCCNC(=O)CSCCCC 11a_100000700776_100000191162 [0,2,0,0,0,0|1,0,1]=4 9702 B13R0.165 C=CCCCNC(=O)CSCCCC 1626a_100000700776_100000191162 [0,2,0,0,0,0|1,0,1]=4 9703 B13R0.165 C=CCCCNC(=O)CSCCCC 240690a_100000700776_100000191162 [0,2,0,0,0,0|1,0,1]=4 9704 B13R0.165 C=CCCCNC(=O)CSCCCC 527a_100000700776_100000191162 [0,2,0,0,0,0|1,0,1]=4 9705 B13R0.165 C=CCCCNC(=O)NCCCCC 2708a_100000209983_100000700776 [0,2,0,0,0,0|1,0,1]=4 9706 B13R0.165 C=CCCCNC(=O)NCCCCC 2708a_100000700776_100000209983 [0,2,0,0,0,0|1,0,1]=4 9707 B13R0.165 C=CCCCNC(=O)NCCCCC 273464a_100000209983_100000700776 [0,2,0,0,0,0|1,0,1]=4 9708 B13R0.165 C=CCCCNC(=O)NCCCCC 273464a_100000700776_100000209983 [0,2,0,0,0,0|1,0,1]=4 9709 B13R0.165 C=CCCCNC(=O)NCCCCC 512a_100000209983_100000700776 [0,2,0,0,0,0|1,0,1]=4 9710 B13R0.165 C=CCCCNC(=O)NCCCCC 512a_100000700776_100000209983 [0,2,0,0,0,0|1,0,1]=4 9711 B13R0.165 C=CCCNCC(=O)OCCOCC 2230a_100015191253_200000101388 [0,2,0,0,0,0|0,0,2]=4 9712 B13R0.165 C=CCCOCC(=O)NCCCCC 34a_100011205117_100000230301 [0,2,0,0,0,0|0,0,2]=4 9713 B13R0.165 C=CCCOCC(=O)OCCOCC 34a_100011205117_200000101388 [0,2,0,0,0,0|0,0,2]=4 9714 B13R0.165 C=CCCSCC(=O)OCCOCC 62a_100000754431_200000101388 [0,2,0,0,0,0|0,0,2]=4 9715 B13R0.165 C=CCCSCC(=O)OCCOCC 62a_200000101388_100000754431 [0,2,0,0,0,0|0,0,2]=4 9716 B13R0.165 C=CCOCCC(=O)COCCCC 1458a_200011217002_100011995733 [0,2,0,0,0,0|0,0,2]=4 9717 B13R0.165 CC#CCNCC(=O)OCCOCC 2230a_100000685387_200000101388 [0,2,0,0,0,0|0,0,2]=4 9718 B13R0.165 CC#CCNCC(=O)OCCOCC 34a_100000685387_200000101388 [0,2,0,0,0,0|0,0,2]=4 9719 B13R0.165 CC#CCOCC(=O)NCCCCC 34a_100000761923_100000230301 [0,2,0,0,0,0|0,0,2]=4 9720 B13R0.165 CC#CCOCC(=O)OCCOCC 34a_100000761923_200000101388 [0,2,0,0,0,0|0,0,2]=4 9721 B13R0.165 CC#CCSCC(=O)OCCOCC 62a_100000748600_200000101388 [0,2,0,0,0,0|0,0,2]=4 9722 B13R0.165 CC#CCSCC(=O)OCCOCC 62a_200000101388_100000748600 [0,2,0,0,0,0|0,0,2]=4 9723 B13R0.165 CC/C=C\CCC(=O)C=CCCCC 1458a_100016266645_100015370543 [0,2,0,0,0,0|1,0,1]=4 9724 B13R0.165 CC/C=C\CCC(=O)CCCCCC 1458a_100102632555_100015370543 [0,2,0,0,0,0|1,0,1]=4 9725 B13R0.165 CC/C=C\CCC(=O)CCCCCO 1458a_100102619762_100015370543 [0,2,0,0,0,0|1,0,1]=4 9726 B13R0.165 CC/C=C\CCC(=O)COCCCC 1458a_100000757543_100015370543 [0,2,0,0,0,0|0,0,1]=3 9727 B13R0.165 CC/C=C\CCC(=O)COCCOC 1458a_100000211095_100015370543 [0,2,0,0,0,0|1,0,1]=4 9728 B13R0.165 CC/C=C\CCC(=O)CSCCCC 1458a_100000191162_100015370543 [0,2,0,0,0,0|0,1,1]=4 9729 B13R0.165 CC=CCSCC(=O)OCCOCC 62a_100000070051_200000101388 [0,2,0,0,0,0|0,0,2]=4 9730 B13R0.165 CC=CCSCC(=O)OCCOCC 62a_200000101388_100000070051 [0,2,0,0,0,0|0,0,2]=4 9731 B13R0.165 CCC/C=C/CC(=O)CCCCCC 1458a_200016266809_100000210757 [0,2,0,0,0,0|1,0,1]=4 9732 B13R0.165 CCC/C=C/CC(=O)CCCCCF 1458a_200016266809_100000729378 [0,2,0,0,0,0|1,0,1]=4 9733 B13R0.165 CCC/C=C/CC(=O)CCCCCO 1458a_200016266809_100000746330 [0,2,0,0,0,0|1,0,1]=4 9734 B13R0.165 CCC/C=C/CC(=O)CCCCOC 1458a_200016266809_100000755781 [0,2,0,0,0,0|1,0,1]=4 9735 B13R0.165 CCC/C=C/CC(=O)CCCOCC 1458a_200016266809_100012232248 [0,2,0,0,0,0|1,0,1]=4 9736 B13R0.165 CCC/C=C/CC(=O)CCOCCC 1458a_200016266809_100011215938 [0,2,0,0,0,0|1,0,1]=4 9737 B13R0.165 CCC/C=C/CC(=O)COCCCC 1458a_200016266809_100011995733 [0,2,0,0,0,0|0,0,1]=3 9738 B13R0.165 CCC/C=C/CC(=O)NCCCCC 11a_100000209983_200016266809 [0,2,0,0,0,0|1,0,1]=4 9739 B13R0.165 CCC/C=C/CC(=O)NCCCCC 1626a_100000209983_200016266809 [0,2,0,0,0,0|1,0,1]=4 9740 B13R0.165 CCC/C=C/CC(=O)NCCCCC 240690a_100000209983_200016266809 [0,2,0,0,0,0|1,0,1]=4 9741 B13R0.165 CCC/C=C/CC(=O)NCCCCC 527a_100000209983_200016266809 [0,2,0,0,0,0|1,0,1]=4 9742 B13R0.165 CCC/C=C/CC(=O)NCCCCO 240690a_100000750430_200016266809 [0,2,0,0,0,0|1,0,1]=4 9743 B13R0.165 CCC/C=C/CC(=O)NCCCCO 527a_100000750430_200016266809 [0,2,0,0,0,0|1,0,1]=4 9744 B13R0.165 CCC/C=C/CC(=O)NCCCOC 1626a_100150723488_200016266809 [0,2,0,0,0,0|1,0,1]=4 9745 B13R0.165 CCC/C=C/CC(=O)NCCCOC 240690a_100150723488_200016266809 [0,2,0,0,0,0|1,0,1]=4 9746 B13R0.165 CCC/C=C/CC(=O)NCCCOC 527a_100150723488_200016266809 [0,2,0,0,0,0|1,0,1]=4 9747 B13R0.165 CCC/C=C/CC(=O)NCCCSC 11a_100000749238_200016266809 [0,2,0,0,0,0|1,0,1]=4 9748 B13R0.165 CCC/C=C/CC(=O)NCCCSC 1626a_100000749238_200016266809 [0,2,0,0,0,0|1,0,1]=4 9749 B13R0.165 CCC/C=C/CC(=O)NCCCSC 240690a_100000749238_200016266809 [0,2,0,0,0,0|1,0,1]=4 9750 B13R0.165 CCC/C=C/CC(=O)NCCCSC 527a_100000749238_200016266809 [0,2,0,0,0,0|1,0,1]=4 9751 B13R0.165 CCC/C=C/CC(=O)NCCOCC 11a_100011200944_200016266809 [0,2,0,0,0,0|1,0,1]=4 9752 B13R0.165 CCC/C=C/CC(=O)NCCOCC 1626a_102516460346_200016266809 [0,2,0,0,0,0|1,0,1]=4 9753 B13R0.165 CCC/C=C/CC(=O)NCCOCC 240690a_100011200944_200016266809 [0,2,0,0,0,0|1,0,1]=4 9754 B13R0.165 CCC/C=C/CC(=O)NCCOCC 527a_100011200944_200016266809 [0,2,0,0,0,0|1,0,1]=4 9755 B13R0.165 CCC/C=C/CC(=O)NCCSCC 11a_100000106463_200016266809 [0,2,0,0,0,0|1,0,1]=4 9756 B13R0.165 CCC/C=C/CC(=O)NCCSCC 1626a_100000106463_200016266809 [0,2,0,0,0,0|1,0,1]=4 9757 B13R0.165 CCC/C=C/CC(=O)NCCSCC 240690a_100000106463_200016266809 [0,2,0,0,0,0|1,0,1]=4 9758 B13R0.165 CCC/C=C/CC(=O)NCCSCC 527a_100000106463_200016266809 [0,2,0,0,0,0|1,0,1]=4 9759 B13R0.165 CCC/C=C/CC(=O)NNCCCC 22a_100025702795_200016266809 [0,2,0,0,0,0|1,0,1]=4 9760 B13R0.165 CCCC=NNC(=O)CCCCCC 4a_100011221127_100000185831 [0,2,0,0,0,0|1,0,1]=4 9761 B13R0.165 CCCCC=CC(=O)CCCCC#N 1458a_100016266645_100000211819 [0,2,0,0,0,0|1,0,1]=4 9762 B13R0.165 CCCCC=CC(=O)CCCCCC 1458a_100016266645_100000210757 [0,2,0,0,0,0|1,0,0]=3 9763 B13R0.165 CCCCC=CC(=O)CCCCCF 1458a_100016266645_100000729378 [0,2,0,0,0,0|1,0,0]=3 9764 B13R0.165 CCCCC=CC(=O)CCCCCO 1458a_100016266645_100000746330 [0,2,0,0,0,0|1,0,0]=3 9765 B13R0.165 CCCCC=CC(=O)CCCCOC 1458a_100016266645_100000755781 [0,2,0,0,0,0|1,0,0]=3 9766 B13R0.165 CCCCC=CC(=O)CCCOCC 1458a_100016266645_100012232248 [0,2,0,0,0,0|1,0,0]=3 9767 B13R0.165 CCCCC=CC(=O)CCOCCC 1458a_100016266645_100011215938 [0,2,0,0,0,0|1,0,0]=3 9768 B13R0.165 CCCCC=CC(=O)CCOCCO 1458a_100016266645_100011215305 [0,2,0,0,0,0|2,0,0]=4 9769 B13R0.165 CCCCC=CC(=O)COCCCC 1458a_100016266645_100011995733 [0,2,0,0,0,0|0,0,1]=3 9770 B13R0.165 CCCCC=CC(=O)NCCCCC 11a_100000209983_100016266645 [0,2,0,0,0,0|1,0,0]=3 9771 B13R0.165 CCCCC=CC(=O)NCCCCC 1626a_100000209983_100016266645 [0,2,0,0,0,0|1,0,0]=3 9772 B13R0.165 CCCCC=CC(=O)NCCCCC 240690a_100000209983_100016266645 [0,2,0,0,0,0|1,0,0]=3 9773 B13R0.165 CCCCC=CC(=O)NCCCCO 240690a_100000750430_100016266645 [0,2,0,0,0,0|1,0,1]=4 9774 B13R0.165 CCCCC=CC(=O)NCCCOC 1626a_100150723488_100016266645 [0,2,0,0,0,0|1,0,1]=4 9775 B13R0.165 CCCCC=CC(=O)NCCCOC 240690a_100150723488_100016266645 [0,2,0,0,0,0|1,0,1]=4 9776 B13R0.165 CCCCC=CC(=O)NCCCSC 11a_100000749238_100016266645 [0,2,0,0,0,0|1,0,1]=4 9777 B13R0.165 CCCCC=CC(=O)NCCCSC 1626a_100000749238_100016266645 [0,2,0,0,0,0|1,0,1]=4 9778 B13R0.165 CCCCC=CC(=O)NCCCSC 240690a_100000749238_100016266645 [0,2,0,0,0,0|1,0,1]=4 9779 B13R0.165 CCCCC=CC(=O)NCCOCC 11a_100011200944_100016266645 [0,2,0,0,0,0|1,0,1]=4 9780 B13R0.165 CCCCC=CC(=O)NCCOCC 1626a_102516460346_100016266645 [0,2,0,0,0,0|1,0,1]=4 9781 B13R0.165 CCCCC=CC(=O)NCCOCC 240690a_100011200944_100016266645 [0,2,0,0,0,0|1,0,1]=4 9782 B13R0.165 CCCCC=CC(=O)NCCSCC 11a_100000106463_100016266645 [0,2,0,0,0,0|1,0,1]=4 9783 B13R0.165 CCCCC=CC(=O)NCCSCC 1626a_100000106463_100016266645 [0,2,0,0,0,0|1,0,1]=4 9784 B13R0.165 CCCCC=CC(=O)NCCSCC 240690a_100000106463_100016266645 [0,2,0,0,0,0|1,0,1]=4 9785 B13R0.165 CCCCC=CC(=O)NNCCCC 22a_100025702795_100016266645 [0,2,0,0,0,0|1,0,1]=4 9786 B13R0.165 CCCCCCC(=NNCCCC)C 4a_100025702795_100000210826 [0,2,0,0,0,0|2,0,0]=4 9787 B13R0.165 CCCCCCC(=O)CCCCC#N 1458a_100102632555_100000211819 [0,2,0,0,0,0|1,0,1]=4 9788 B13R0.165 CCCCCCC(=O)CCCCCC 1458a_100102632555_100000210757 [0,2,0,0,0,0|1,0,0]=3 9789 B13R0.165 CCCCCCC(=O)CCCCCF 1458a_100102632555_100000729378 [0,2,0,0,0,0|1,0,0]=3 9790 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102619762_100000210757 [0,2,0,0,0,0|1,0,0]=3 9791 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102632555_100000746330 [0,2,0,0,0,0|1,0,0]=3 9792 B13R0.165 CCCCCCC(=O)CCCCOC 1458a_100102632555_100000755781 [0,2,0,0,0,0|1,0,0]=3 9793 B13R0.165 CCCCCCC(=O)CCCOCC 1458a_100102632555_100012232248 [0,2,0,0,0,0|1,0,0]=3 9794 B13R0.165 CCCCCCC(=O)CCOCCC 1458a_100102632555_100011215938 [0,2,0,0,0,0|1,0,0]=3 9795 B13R0.165 CCCCCCC(=O)CCOCCO 1458a_100011229844_100000210757 [0,2,0,0,0,0|2,0,0]=4 9796 B13R0.165 CCCCCCC(=O)CCOCCO 1458a_100102632555_100011215305 [0,2,0,0,0,0|2,0,0]=4 9797 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100000757543_100000210757 [0,2,0,0,0,0|0,0,0]=2 9798 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100102632555_100011995733 [0,2,0,0,0,0|0,0,0]=2 9799 B13R0.165 CCCCCCC(=O)COCCOC 1458a_100000211095_100000210757 [0,2,0,0,0,0|1,0,0]=3 9800 B13R0.165 CCCCCCC(=O)CSCCCC 1458a_100000191162_100000210757 [0,2,0,0,0,0|0,1,0]=3 9801 B13R0.165 CCCCCCC(=O)NCCCCC 11a_100000209983_100102632555 [0,2,0,0,0,0|1,0,0]=3 9802 B13R0.165 CCCCCCC(=O)NCCCCC 1626a_100000209983_100102632555 [0,2,0,0,0,0|1,0,0]=3 9803 B13R0.165 CCCCCCC(=O)NCCCCC 240690a_100000209983_100102632555 [0,2,0,0,0,0|1,0,0]=3 9804 B13R0.165 CCCCCCC(=O)NCCCCC 527a_100000209983_100102632555 [0,2,0,0,0,0|1,0,0]=3 9805 B13R0.165 CCCCCCC(=O)NCCCCO 240690a_100000750430_100102632555 [0,2,0,0,0,0|1,0,0]=3 9806 B13R0.165 CCCCCCC(=O)NCCCCO 527a_100000750430_100102632555 [0,2,0,0,0,0|1,0,0]=3 9807 B13R0.165 CCCCCCC(=O)NCCCOC 1626a_100150723488_100102632555 [0,2,0,0,0,0|1,0,0]=3 9808 B13R0.165 CCCCCCC(=O)NCCCOC 240690a_100150723488_100102632555 [0,2,0,0,0,0|1,0,0]=3 9809 B13R0.165 CCCCCCC(=O)NCCCOC 527a_100150723488_100102632555 [0,2,0,0,0,0|1,0,0]=3 9810 B13R0.165 CCCCCCC(=O)NCCCSC 11a_100000749238_100102632555 [0,2,0,0,0,0|1,0,0]=3 9811 B13R0.165 CCCCCCC(=O)NCCCSC 1626a_100000749238_100102632555 [0,2,0,0,0,0|1,0,0]=3 9812 B13R0.165 CCCCCCC(=O)NCCCSC 240690a_100000749238_100102632555 [0,2,0,0,0,0|1,0,0]=3 9813 B13R0.165 CCCCCCC(=O)NCCCSC 527a_100000749238_100102632555 [0,2,0,0,0,0|1,0,0]=3 9814 B13R0.165 CCCCCCC(=O)NCCOCC 11a_100011200944_100102632555 [0,2,0,0,0,0|1,0,0]=3 9815 B13R0.165 CCCCCCC(=O)NCCOCC 1626a_102516460346_100102632555 [0,2,0,0,0,0|1,0,0]=3 9816 B13R0.165 CCCCCCC(=O)NCCOCC 240690a_100011200944_100102632555 [0,2,0,0,0,0|1,0,0]=3 9817 B13R0.165 CCCCCCC(=O)NCCOCC 527a_100011200944_100102632555 [0,2,0,0,0,0|1,0,0]=3 9818 B13R0.165 CCCCCCC(=O)NCCSCC 11a_100000106463_100102632555 [0,2,0,0,0,0|1,0,0]=3 9819 B13R0.165 CCCCCCC(=O)NCCSCC 1626a_100000106463_100102632555 [0,2,0,0,0,0|1,0,0]=3 9820 B13R0.165 CCCCCCC(=O)NCCSCC 240690a_100000106463_100102632555 [0,2,0,0,0,0|1,0,0]=3 9821 B13R0.165 CCCCCCC(=O)NCCSCC 527a_100000106463_100102632555 [0,2,0,0,0,0|1,0,0]=3 9822 B13R0.165 CCCCCCC(=O)NNCCCC 22a_100025702795_100102632555 [0,2,0,0,0,0|1,0,0]=3 9823 B13R0.165 CCCCCCC(=O)NNCCOC 22a_100000741390_100102632555 [0,2,0,0,0,0|2,0,0]=4 9824 B13R0.165 CCCCCCC(C)OCCCCBr 34a_100011216708_100011215978 [0,2,0,0,0,0|1,0,1]=4 9825 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210253_100011215978 [0,2,0,0,0,0|1,0,1]=4 9826 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210265_100000718602 [0,2,0,0,0,0|1,0,1]=4 9827 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210253_100011215978 [0,2,0,0,0,0|1,0,1]=4 9828 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210265_100000210326 [0,2,0,0,0,0|1,0,1]=4 9829 B13R0.165 CCCCCCC(C)OCCCCCl 34a_100000210776_100011215978 [0,2,0,0,0,0|1,0,1]=4 9830 B13R0.165 CCCCCCC(C)OCCCCCl 7a_100000210776_100011215978 [0,2,0,0,0,0|1,0,1]=4 9831 B13R0.165 CCCCCCC(C)OCCCCF 34a_100000210265_100000729493 [0,2,0,0,0,0|1,0,1]=4 9832 B13R0.165 CCCCCCC(C)OCCCCF 34a_100011995726_100011215978 [0,2,0,0,0,0|1,0,1]=4 9833 B13R0.165 CCCCCCC(C)OCCCCF 7a_100000210265_100000729493 [0,2,0,0,0,0|1,0,1]=4 9834 B13R0.165 CCCCCCC(C)OCCCCF 7a_100011995726_100011215978 [0,2,0,0,0,0|1,0,1]=4 9835 B13R0.165 CCCCCCC(C)OCCCCI 34a_200012148704_100011215978 [0,2,0,0,0,0|1,0,1]=4 9836 B13R0.165 CCCCCCC(C)OCCCCN 34a_100000750430_100011215978 [0,2,0,0,0,0|1,0,1]=4 9837 B13R0.165 CCCCCCC(C)OCCCCO 34a_100000210265_100011216708 [0,2,0,0,0,0|1,0,1]=4 9838 B13R0.165 CCCCCCC(C)OCCCCO 7a_100000210265_100000210776 [0,2,0,0,0,0|1,0,1]=4 9839 B13R0.165 CCCCCCC(C)OCCCNC 34a_100000213112_100011215978 [0,2,0,0,0,0|1,0,1]=4 9840 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000210265_100000740836 [0,2,0,0,0,0|1,0,1]=4 9841 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000740835_100011215978 [0,2,0,0,0,0|1,0,1]=4 9842 B13R0.165 CCCCCCC(C)OCCCOC 7a_100000210265_100000740836 [0,2,0,0,0,0|1,0,1]=4 9843 B13R0.165 CCCCCCC(C)OCCCSC 34a_100000690336_100011215978 [0,2,0,0,0,0|1,0,1]=4 9844 B13R0.165 CCCCCCC(C)OCCCSC 7a_100000690336_100011215978 [0,2,0,0,0,0|1,0,1]=4 9845 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210136_100011215978 [0,2,0,0,0,0|1,0,1]=4 9846 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210265_100000210147 [0,2,0,0,0,0|1,0,1]=4 9847 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210136_100011215978 [0,2,0,0,0,0|1,0,1]=4 9848 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210265_100011215890 [0,2,0,0,0,0|1,0,1]=4 9849 B13R0.165 CCCCCCC(C)OCCSCC 34a_100000210265_100000757381 [0,2,0,0,0,0|1,0,1]=4 9850 B13R0.165 CCCCCCC(C)OCCSCC 34a_100000212035_100011215978 [0,2,0,0,0,0|1,0,1]=4 9851 B13R0.165 CCCCCCC(C)OCCSCC 7a_100000210265_100000757381 [0,2,0,0,0,0|1,0,1]=4 9852 B13R0.165 CCCCCCC(C)OCCSCC 7a_100000212035_100011215978 [0,2,0,0,0,0|1,0,1]=4 9853 B13R0.165 CCCCCCN(C)COCCCC 2230a_106256046315_100011995733 [0,2,0,0,0,0|2,0,0]=4 9854 B13R0.165 CCCCCCN(C)COCCCC 269982a_106256046315_100011995733 [0,2,0,0,0,0|2,0,0]=4 9855 B13R0.165 CCCCCNC(=O)CCCCCO 240690a_100000209983_100102619762 [0,2,0,0,0,0|1,0,0]=3 9856 B13R0.165 CCCCCNC(=O)CCOCCO 1626a_100000209983_100011229844 [0,2,0,0,0,0|2,0,0]=4 9857 B13R0.165 CCCCCNC(=O)CCOCCO 240690a_100000209983_100011229844 [0,2,0,0,0,0|2,0,0]=4 9858 B13R0.165 CCCCCNC(=O)CNCCCC 2230a_100000102301_100000230301 [0,2,0,0,0,0|1,0,0]=3 9859 B13R0.165 CCCCCNC(=O)CNCCCC 7a_106832991798_100000230301 [0,2,0,0,0,0|1,0,0]=3 9860 B13R0.165 CCCCCNC(=O)CNCCCF 2230a_100015189416_100000230301 [0,2,0,0,0,0|2,0,0]=4 9861 B13R0.165 CCCCCNC(=O)CNCCCF 34a_100015189416_100000230301 [0,2,0,0,0,0|2,0,0]=4 9862 B13R0.165 CCCCCNC(=O)CNCCOC 2230a_100000209980_100000230301 [0,2,0,0,0,0|2,0,0]=4 9863 B13R0.165 CCCCCNC(=O)CNCCSC 2230a_100020590264_100000230301 [0,2,0,0,0,0|2,0,0]=4 9864 B13R0.165 CCCCCNC(=O)COCCCBr 34a_100011217188_100000230301 [0,2,0,0,0,0|1,0,0]=3 9865 B13R0.165 CCCCCNC(=O)COCCCC 11a_100000209983_100000757543 [0,2,0,0,0,0|0,0,0]=2 9866 B13R0.165 CCCCCNC(=O)COCCCC 1626a_100000209983_100000757543 [0,2,0,0,0,0|0,0,0]=2 9867 B13R0.165 CCCCCNC(=O)COCCCC 240690a_100000209983_100000757543 [0,2,0,0,0,0|0,0,0]=2 9868 B13R0.165 CCCCCNC(=O)COCCCC 34a_100000210227_100000230301 [0,2,0,0,0,0|0,0,0]=2 9869 B13R0.165 CCCCCNC(=O)COCCCC 527a_100000209983_100000757543 [0,2,0,0,0,0|0,0,0]=2 9870 B13R0.165 CCCCCNC(=O)COCCCC 7a_100000210227_100000230301 [0,2,0,0,0,0|0,0,0]=2 9871 B13R0.165 CCCCCNC(=O)COCCCCl 34a_100000230001_100000230301 [0,2,0,0,0,0|1,0,0]=3 9872 B13R0.165 CCCCCNC(=O)COCCCF 34a_100000759539_100000230301 [0,2,0,0,0,0|1,0,0]=3 9873 B13R0.165 CCCCCNC(=O)COCCCN 34a_100000182051_100000230301 [0,2,0,0,0,0|1,0,0]=3 9874 B13R0.165 CCCCCNC(=O)COCCOC 11a_100000209983_100000211095 [0,2,0,0,0,0|1,0,0]=3 9875 B13R0.165 CCCCCNC(=O)COCCOC 1626a_100000209983_100000211095 [0,2,0,0,0,0|1,0,0]=3 9876 B13R0.165 CCCCCNC(=O)COCCOC 240690a_100000209983_100000211095 [0,2,0,0,0,0|1,0,0]=3 9877 B13R0.165 CCCCCNC(=O)COCCOC 34a_100000210237_100000230301 [0,2,0,0,0,0|1,0,0]=3 9878 B13R0.165 CCCCCNC(=O)COCCOC 527a_100000209983_100000211095 [0,2,0,0,0,0|1,0,0]=3 9879 B13R0.165 CCCCCNC(=O)COCCON 34a_100000700252_100000230301 [0,2,0,0,0,0|2,0,0]=4 9880 B13R0.165 CCCCCNC(=O)COCCSC 34a_100000230434_100000230301 [0,2,0,0,0,0|1,0,0]=3 9881 B13R0.165 CCCCCNC(=O)COCCSC 7a_100000230434_100000230301 [0,2,0,0,0,0|1,0,0]=3 9882 B13R0.165 CCCCCNC(=O)CSCCCC 11a_100000209983_100000191162 [0,2,0,0,0,0|0,1,0]=3 9883 B13R0.165 CCCCCNC(=O)CSCCCC 1626a_100000209983_100000191162 [0,2,0,0,0,0|0,1,0]=3 9884 B13R0.165 CCCCCNC(=O)CSCCCC 240690a_100000209983_100000191162 [0,2,0,0,0,0|0,1,0]=3 9885 B13R0.165 CCCCCNC(=O)CSCCCC 527a_100000209983_100000191162 [0,2,0,0,0,0|0,1,0]=3 9886 B13R0.165 CCCCCNC(=O)CSCCCC 62a_100000210211_100000230301 [0,2,0,0,0,0|0,1,0]=3 9887 B13R0.165 CCCCCNC(=O)CSCCCC 62a_100000230301_100000210210 [0,2,0,0,0,0|0,1,0]=3 9888 B13R0.165 CCCCCNC(=O)CSCCCF 62a_100000230301_100011934791 [0,2,0,0,0,0|1,1,0]=4 9889 B13R0.165 CCCCCNC(=O)CSCCCF 62a_100011934791_100000230301 [0,2,0,0,0,0|1,1,0]=4 9890 B13R0.165 CCCCCNC(=O)CSCCCO 62a_100000230301_100011215043 [0,2,0,0,0,0|1,1,0]=4 9891 B13R0.165 CCCCCNC(=O)CSCCCO 62a_100011215043_100000230301 [0,2,0,0,0,0|1,1,0]=4 9892 B13R0.165 CCCCCNC(=O)CSCCOC 62a_100000230301_100000233755 [0,2,0,0,0,0|1,1,0]=4 9893 B13R0.165 CCCCCNC(=O)CSCCOC 62a_100000233755_100000230301 [0,2,0,0,0,0|1,1,0]=4 9894 B13R0.165 CCCCCNC(=O)CSCCSC 62a_100000212216_100000230301 [0,2,0,0,0,0|1,1,0]=4 9895 B13R0.165 CCCCCNC(=O)CSCCSC 62a_100000230301_100000751147 [0,2,0,0,0,0|1,1,0]=4 9896 B13R0.165 CCCCCNC(=O)CSCOCC 62a_100000230301_100000739092 [0,2,0,0,0,0|1,1,0]=4 9897 B13R0.165 CCCCCNC(=O)CSCOCC 62a_100000739092_100000230301 [0,2,0,0,0,0|1,1,0]=4 9898 B13R0.165 CCCCCNC(=O)NCCCCC 2708a_100000209983_100000209983 [0,2,0,0,0,0|1,0,0]=3 9899 B13R0.165 CCCCCNC(=O)NCCCCC 273464a_100000209983_100000209983 [0,2,0,0,0,0|1,0,0]=3 9900 B13R0.165 CCCCCNC(=O)NCCCCC 512a_100000209983_100000209983 [0,2,0,0,0,0|1,0,0]=3 9901 B13R0.165 CCCCCNC(=O)NCCCCO 2708a_100000209983_100000750430 [0,2,0,0,0,0|1,0,0]=3 9902 B13R0.165 CCCCCNC(=O)NCCCCO 2708a_100000750430_100000209983 [0,2,0,0,0,0|1,0,0]=3 9903 B13R0.165 CCCCCNC(=O)NCCCCO 273464a_100000209983_100000750430 [0,2,0,0,0,0|1,0,0]=3 9904 B13R0.165 CCCCCNC(=O)NCCCCO 273464a_100000750430_100000209983 [0,2,0,0,0,0|1,0,0]=3 9905 B13R0.165 CCCCCNC(=O)NCCCCO 512a_100000209983_100000750430 [0,2,0,0,0,0|1,0,0]=3 9906 B13R0.165 CCCCCNC(=O)NCCCCO 512a_100000750430_100000209983 [0,2,0,0,0,0|1,0,0]=3 9907 B13R0.165 CCCCCNC(=O)NCCCOC 2708a_100000209983_100150723488 [0,2,0,0,0,0|1,0,0]=3 9908 B13R0.165 CCCCCNC(=O)NCCCOC 2708a_100150723488_100000209983 [0,2,0,0,0,0|1,0,0]=3 9909 B13R0.165 CCCCCNC(=O)NCCCOC 273464a_100000209983_100150723488 [0,2,0,0,0,0|1,0,0]=3 9910 B13R0.165 CCCCCNC(=O)NCCCOC 273464a_100150723488_100000209983 [0,2,0,0,0,0|1,0,0]=3 9911 B13R0.165 CCCCCNC(=O)NCCCOC 512a_100000209983_100150723488 [0,2,0,0,0,0|1,0,0]=3 9912 B13R0.165 CCCCCNC(=O)NCCCSC 2708a_100000209983_100000749238 [0,2,0,0,0,0|1,0,0]=3 9913 B13R0.165 CCCCCNC(=O)NCCCSC 2708a_100000749238_100000209983 [0,2,0,0,0,0|1,0,0]=3 9914 B13R0.165 CCCCCNC(=O)NCCCSC 273464a_100000209983_100000749238 [0,2,0,0,0,0|1,0,0]=3 9915 B13R0.165 CCCCCNC(=O)NCCCSC 273464a_100000749238_100000209983 [0,2,0,0,0,0|1,0,0]=3 9916 B13R0.165 CCCCCNC(=O)NCCCSC 512a_100000209983_100000749238 [0,2,0,0,0,0|1,0,0]=3 9917 B13R0.165 CCCCCNC(=O)NCCCSC 512a_100000749238_100000209983 [0,2,0,0,0,0|1,0,0]=3 9918 B13R0.165 CCCCCNC(=O)NCCOCC 2708a_100000209983_100011200944 [0,2,0,0,0,0|1,0,0]=3 9919 B13R0.165 CCCCCNC(=O)NCCOCC 2708a_100011200944_100000209983 [0,2,0,0,0,0|1,0,0]=3 9920 B13R0.165 CCCCCNC(=O)NCCOCC 273464a_100000209983_102516460346 [0,2,0,0,0,0|1,0,0]=3 9921 B13R0.165 CCCCCNC(=O)NCCOCC 273464a_102516460346_100000209983 [0,2,0,0,0,0|1,0,0]=3 9922 B13R0.165 CCCCCNC(=O)NCCOCC 512a_100000209983_100011200944 [0,2,0,0,0,0|1,0,0]=3 9923 B13R0.165 CCCCCNC(=O)NCCOCC 512a_100011200944_100000209983 [0,2,0,0,0,0|1,0,0]=3 9924 B13R0.165 CCCCCNC(=O)NCCSCC 2708a_100000106463_100000209983 [0,2,0,0,0,0|1,0,0]=3 9925 B13R0.165 CCCCCNC(=O)NCCSCC 2708a_100000209983_100000106463 [0,2,0,0,0,0|1,0,0]=3 9926 B13R0.165 CCCCCNC(=O)NCCSCC 273464a_100000106463_100000209983 [0,2,0,0,0,0|1,0,0]=3 9927 B13R0.165 CCCCCNC(=O)NCCSCC 273464a_100000209983_100000106463 [0,2,0,0,0,0|1,0,0]=3 9928 B13R0.165 CCCCCNC(=O)NCCSCC 512a_100000106463_100000209983 [0,2,0,0,0,0|1,0,0]=3 9929 B13R0.165 CCCCCNC(=O)NCCSCC 512a_100000209983_100000106463 [0,2,0,0,0,0|1,0,0]=3 9930 B13R0.165 CCCCCNC(=O)NNCCCC 273464a_100000209983_100025702795 [0,2,0,0,0,0|1,0,0]=3 9931 B13R0.165 CCCCCNC(=O)NNCCCC 512a_100000209983_100025702795 [0,2,0,0,0,0|1,0,0]=3 9932 B13R0.165 CCCCCNC(=O)NNCCCC 512a_100025702795_100000209983 [0,2,0,0,0,0|1,0,0]=3 9933 B13R0.165 CCCCCNC(=O)NNCCOC 273464a_100000209983_100000741390 [0,2,0,0,0,0|2,0,0]=4 9934 B13R0.165 CCCCCOC(C)COCCCC 34a_100011217071_100000718602 [0,2,0,0,0,0|1,0,1]=4 9935 B13R0.165 CCCCCOC(C)COCCCC 7a_100011217071_100000210326 [0,2,0,0,0,0|1,0,1]=4 9936 B13R0.165 CCCCNCC(=O)NCCCOC 2230a_100000102301_100000183178 [0,2,0,0,0,0|1,0,0]=3 9937 B13R0.165 CCCCNCC(=O)NCCCOC 7a_106832991798_100000183178 [0,2,0,0,0,0|1,0,0]=3 9938 B13R0.165 CCCCNCC(=O)OCCOCC 2230a_100000102301_200000101388 [0,2,0,0,0,0|0,0,0]=2 9939 B13R0.165 CCCCNCC(=O)OCCOCC 7a_106832991798_200000101388 [0,2,0,0,0,0|0,0,0]=2 9940 B13R0.165 CCCCNNC(=O)CCCCCO 22a_100025702795_100102619762 [0,2,0,0,0,0|1,0,0]=3 9941 B13R0.165 CCCCNNC(=O)CCOCCO 22a_100025702795_100011229844 [0,2,0,0,0,0|2,0,0]=4 9942 B13R0.165 CCCCNNC(=O)COCCCC 22a_100025702795_100000757543 [0,2,0,0,0,0|1,0,0]=3 9943 B13R0.165 CCCCNNC(=O)COCCOC 22a_100025702795_100000211095 [0,2,0,0,0,0|2,0,0]=4 9944 B13R0.165 CCCCNNC(=O)CSCCCC 22a_100025702795_100000191162 [0,2,0,0,0,0|1,0,0]=3 9945 B13R0.165 CCCCNNC(=O)NCCCCO 273464a_100000750430_100025702795 [0,2,0,0,0,0|2,0,0]=4 9946 B13R0.165 CCCCNNC(=O)NCCCCO 512a_100000750430_100025702795 [0,2,0,0,0,0|2,0,0]=4 9947 B13R0.165 CCCCNNC(=O)NCCCCO 512a_100025702795_100000750430 [0,2,0,0,0,0|2,0,0]=4 9948 B13R0.165 CCCCNNC(=O)NCCCOC 273464a_100150723488_100025702795 [0,2,0,0,0,0|2,0,0]=4 9949 B13R0.165 CCCCNNC(=O)NCCCOC 512a_100025702795_100150723488 [0,2,0,0,0,0|2,0,0]=4 9950 B13R0.165 CCCCNNC(=O)NCCCSC 273464a_100000749238_100025702795 [0,2,0,0,0,0|2,0,0]=4 9951 B13R0.165 CCCCNNC(=O)NCCCSC 512a_100000749238_100025702795 [0,2,0,0,0,0|2,0,0]=4 9952 B13R0.165 CCCCNNC(=O)NCCCSC 512a_100025702795_100000749238 [0,2,0,0,0,0|2,0,0]=4 9953 B13R0.165 CCCCNNC(=O)NCCOCC 273464a_102516460346_100025702795 [0,2,0,0,0,0|2,0,0]=4 9954 B13R0.165 CCCCNNC(=O)NCCOCC 512a_100011200944_100025702795 [0,2,0,0,0,0|2,0,0]=4 9955 B13R0.165 CCCCNNC(=O)NCCOCC 512a_100025702795_100011200944 [0,2,0,0,0,0|2,0,0]=4 9956 B13R0.165 CCCCNNC(=O)NCCSCC 273464a_100000106463_100025702795 [0,2,0,0,0,0|2,0,0]=4 9957 B13R0.165 CCCCNNC(=O)NCCSCC 512a_100000106463_100025702795 [0,2,0,0,0,0|2,0,0]=4 9958 B13R0.165 CCCCNNC(=O)NCCSCC 512a_100025702795_100000106463 [0,2,0,0,0,0|2,0,0]=4 9959 B13R0.165 CCCCNNC(=O)NNCCCC 512a_100025702795_100025702795 [0,2,0,0,0,0|2,0,0]=4 9960 B13R0.165 CCCCOCC(=O)CCCCC#N 1458a_100000757543_100000211819 [0,2,0,0,0,0|0,0,1]=3 9961 B13R0.165 CCCCOCC(=O)CCCCCF 1458a_100000757543_100000729378 [0,2,0,0,0,0|0,0,0]=2 9962 B13R0.165 CCCCOCC(=O)CCCCCO 1458a_100000757543_100000746330 [0,2,0,0,0,0|0,0,0]=2 9963 B13R0.165 CCCCOCC(=O)CCCCCO 1458a_100102619762_100011995733 [0,2,0,0,0,0|0,0,0]=2 9964 B13R0.165 CCCCOCC(=O)CCCCOC 1458a_100000757543_100000755781 [0,2,0,0,0,0|0,0,0]=2 9965 B13R0.165 CCCCOCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100011995733 [0,2,0,0,0,0|2,0,0]=4 9966 B13R0.165 CCCCOCC(=O)CCCOCC 1458a_100000757543_100012232248 [0,2,0,0,0,0|0,0,0]=2 9967 B13R0.165 CCCCOCC(=O)CCOCC#N 1458a_100000757543_200000047693 [0,2,0,0,0,0|1,0,1]=4 9968 B13R0.165 CCCCOCC(=O)CCOCCC 1458a_100000757543_100011215938 [0,2,0,0,0,0|0,0,0]=2 9969 B13R0.165 CCCCOCC(=O)CCOCCO 1458a_100000757543_100011215305 [0,2,0,0,0,0|1,0,0]=3 9970 B13R0.165 CCCCOCC(=O)CCOCCO 1458a_100011229844_100011995733 [0,2,0,0,0,0|1,0,0]=3 9971 B13R0.165 CCCCOCC(=O)COCCCC 1458a_100000757543_100011995733 [0,2,0,0,0,0|0,0,0]=2 9972 B13R0.165 CCCCOCC(=O)COCCOC 1458a_100000211095_100011995733 [0,2,0,0,0,0|1,0,0]=3 9973 B13R0.165 CCCCOCC(=O)CSCCCC 1458a_100000191162_100011995733 [0,2,0,0,0,0|0,0,0]=2 9974 B13R0.165 CCCCOCC(=O)NCCCCO 240690a_100000750430_100000757543 [0,2,0,0,0,0|1,0,0]=3 9975 B13R0.165 CCCCOCC(=O)NCCCCO 527a_100000750430_100000757543 [0,2,0,0,0,0|1,0,0]=3 9976 B13R0.165 CCCCOCC(=O)NCCCOC 1626a_100150723488_100000757543 [0,2,0,0,0,0|1,0,0]=3 9977 B13R0.165 CCCCOCC(=O)NCCCOC 240690a_100150723488_100000757543 [0,2,0,0,0,0|1,0,0]=3 9978 B13R0.165 CCCCOCC(=O)NCCCOC 34a_100000210227_100000183178 [0,2,0,0,0,0|1,0,0]=3 9979 B13R0.165 CCCCOCC(=O)NCCCOC 527a_100150723488_100000757543 [0,2,0,0,0,0|1,0,0]=3 9980 B13R0.165 CCCCOCC(=O)NCCCOC 7a_100000210227_100000183178 [0,2,0,0,0,0|1,0,0]=3 9981 B13R0.165 CCCCOCC(=O)NCCCSC 11a_100000749238_100000757543 [0,2,0,0,0,0|1,0,0]=3 9982 B13R0.165 CCCCOCC(=O)NCCCSC 1626a_100000749238_100000757543 [0,2,0,0,0,0|1,0,0]=3 9983 B13R0.165 CCCCOCC(=O)NCCCSC 240690a_100000749238_100000757543 [0,2,0,0,0,0|1,0,0]=3 9984 B13R0.165 CCCCOCC(=O)NCCCSC 527a_100000749238_100000757543 [0,2,0,0,0,0|1,0,0]=3 9985 B13R0.165 CCCCOCC(=O)NCCOCC 11a_100011200944_100000757543 [0,2,0,0,0,0|1,0,0]=3 9986 B13R0.165 CCCCOCC(=O)NCCOCC 1626a_102516460346_100000757543 [0,2,0,0,0,0|1,0,0]=3 9987 B13R0.165 CCCCOCC(=O)NCCOCC 240690a_100011200944_100000757543 [0,2,0,0,0,0|1,0,0]=3 9988 B13R0.165 CCCCOCC(=O)NCCOCC 527a_100011200944_100000757543 [0,2,0,0,0,0|1,0,0]=3 9989 B13R0.165 CCCCOCC(=O)NCCSCC 11a_100000106463_100000757543 [0,2,0,0,0,0|1,0,0]=3 9990 B13R0.165 CCCCOCC(=O)NCCSCC 1626a_100000106463_100000757543 [0,2,0,0,0,0|1,0,0]=3 9991 B13R0.165 CCCCOCC(=O)NCCSCC 240690a_100000106463_100000757543 [0,2,0,0,0,0|1,0,0]=3 9992 B13R0.165 CCCCOCC(=O)NCCSCC 527a_100000106463_100000757543 [0,2,0,0,0,0|1,0,0]=3 9993 B13R0.165 CCCCOCC(=O)NNCCOC 22a_100000741390_100000757543 [0,2,0,0,0,0|2,0,0]=4 9994 B13R0.165 CCCCOCC(=O)OCCOCC 34a_100000210227_200000101388 [0,2,0,0,0,0|0,0,0]=2 9995 B13R0.165 CCCCOCC(=O)OCCOCC 7a_100000210227_200000101388 [0,2,0,0,0,0|0,0,0]=2 9996 B13R0.165 CCCCOCC(C)OCCCCF 34a_100011217071_100000729493 [0,2,0,0,0,0|1,0,1]=4 9997 B13R0.165 CCCCOCC(C)OCCCCF 7a_100011217071_100000729493 [0,2,0,0,0,0|1,0,1]=4 9998 B13R0.165 CCCCOCC(C)OCCCCO 34a_100011217071_100011216708 [0,2,0,0,0,0|1,0,1]=4 9999 B13R0.165 CCCCOCC(C)OCCCCO 7a_100011217071_100000210776 [0,2,0,0,0,0|1,0,1]=4 10000 B13R0.165 CCCCOCC(C)OCCCOC 34a_100011217071_100000740836 [0,2,0,0,0,0|1,0,1]=4 10001 B13R0.165 CCCCOCC(C)OCCCOC 7a_100011217071_100000740836 [0,2,0,0,0,0|1,0,1]=4 10002 B13R0.165 CCCCOCC(C)OCCOCC 34a_100011217071_100000210147 [0,2,0,0,0,0|1,0,1]=4 10003 B13R0.165 CCCCOCC(C)OCCOCC 7a_100011217071_100011215890 [0,2,0,0,0,0|1,0,1]=4 10004 B13R0.165 CCCCOCC(C)OCCSCC 34a_100011217071_100000757381 [0,2,0,0,0,0|1,0,1]=4 10005 B13R0.165 CCCCOCC(C)OCCSCC 7a_100011217071_100000757381 [0,2,0,0,0,0|1,0,1]=4 10006 B13R0.165 CCCCOCN(C)CCCCCO 2230a_100000722520_100011995733 [0,2,0,0,0,0|2,0,0]=4 10007 B13R0.165 CCCCOCN(C)CCCCCO 269982a_100000722520_100011995733 [0,2,0,0,0,0|2,0,0]=4 10008 B13R0.165 CCCCSCC(=O)CCCCC#N 1458a_100000191162_100000211819 [0,2,0,0,0,0|0,1,1]=4 10009 B13R0.165 CCCCSCC(=O)CCCCCF 1458a_100000191162_100000729378 [0,2,0,0,0,0|0,1,0]=3 10010 B13R0.165 CCCCSCC(=O)CCCCCO 1458a_100000191162_100000746330 [0,2,0,0,0,0|0,1,0]=3 10011 B13R0.165 CCCCSCC(=O)CCCCOC 1458a_100000191162_100000755781 [0,2,0,0,0,0|0,1,0]=3 10012 B13R0.165 CCCCSCC(=O)CCCOCC 1458a_100000191162_100012232248 [0,2,0,0,0,0|0,1,0]=3 10013 B13R0.165 CCCCSCC(=O)CCOCCC 1458a_100000191162_100011215938 [0,2,0,0,0,0|0,1,0]=3 10014 B13R0.165 CCCCSCC(=O)CCOCCO 1458a_100000191162_100011215305 [0,2,0,0,0,0|1,1,0]=4 10015 B13R0.165 CCCCSCC(=O)NCCCCO 240690a_100000750430_100000191162 [0,2,0,0,0,0|1,0,0]=3 10016 B13R0.165 CCCCSCC(=O)NCCCCO 527a_100000750430_100000191162 [0,2,0,0,0,0|1,0,0]=3 10017 B13R0.165 CCCCSCC(=O)NCCCOC 1626a_100150723488_100000191162 [0,2,0,0,0,0|1,0,0]=3 10018 B13R0.165 CCCCSCC(=O)NCCCOC 240690a_100150723488_100000191162 [0,2,0,0,0,0|1,0,0]=3 10019 B13R0.165 CCCCSCC(=O)NCCCOC 527a_100150723488_100000191162 [0,2,0,0,0,0|1,0,0]=3 10020 B13R0.165 CCCCSCC(=O)NCCCOC 62a_100000183178_100000210210 [0,2,0,0,0,0|1,0,0]=3 10021 B13R0.165 CCCCSCC(=O)NCCCSC 11a_100000749238_100000191162 [0,2,0,0,0,0|1,0,0]=3 10022 B13R0.165 CCCCSCC(=O)NCCCSC 1626a_100000749238_100000191162 [0,2,0,0,0,0|1,0,0]=3 10023 B13R0.165 CCCCSCC(=O)NCCCSC 240690a_100000749238_100000191162 [0,2,0,0,0,0|1,0,0]=3 10024 B13R0.165 CCCCSCC(=O)NCCCSC 527a_100000749238_100000191162 [0,2,0,0,0,0|1,0,0]=3 10025 B13R0.165 CCCCSCC(=O)NCCOCC 11a_100011200944_100000191162 [0,2,0,0,0,0|1,0,0]=3 10026 B13R0.165 CCCCSCC(=O)NCCOCC 1626a_102516460346_100000191162 [0,2,0,0,0,0|1,0,0]=3 10027 B13R0.165 CCCCSCC(=O)NCCOCC 240690a_100011200944_100000191162 [0,2,0,0,0,0|1,0,0]=3 10028 B13R0.165 CCCCSCC(=O)NCCOCC 527a_100011200944_100000191162 [0,2,0,0,0,0|1,0,0]=3 10029 B13R0.165 CCCCSCC(=O)NCCSCC 11a_100000106463_100000191162 [0,2,0,0,0,0|1,0,0]=3 10030 B13R0.165 CCCCSCC(=O)NCCSCC 1626a_100000106463_100000191162 [0,2,0,0,0,0|1,0,0]=3 10031 B13R0.165 CCCCSCC(=O)NCCSCC 240690a_100000106463_100000191162 [0,2,0,0,0,0|1,0,0]=3 10032 B13R0.165 CCCCSCC(=O)NCCSCC 527a_100000106463_100000191162 [0,2,0,0,0,0|1,0,0]=3 10033 B13R0.165 CCCCSCC(=O)NNCCOC 22a_100000741390_100000191162 [0,2,0,0,0,0|2,0,0]=4 10034 B13R0.165 CCCCSCC(=O)OCCOCC 62a_100000210211_200000101388 [0,2,0,0,0,0|0,0,0]=2 10035 B13R0.165 CCCCSCC(=O)OCCOCC 62a_200000101388_100000210210 [0,2,0,0,0,0|0,0,0]=2 10036 B13R0.165 CCCOCCC(=O)CCCCCO 1458a_100102619762_100011215938 [0,2,0,0,0,0|1,0,0]=3 10037 B13R0.165 CCCOCCC(=O)CCOCCO 1458a_100011229844_100011215938 [0,2,0,0,0,0|2,0,0]=4 10038 B13R0.165 CCCOCCC(=O)COCCOC 1458a_100000211095_100011215938 [0,2,0,0,0,0|1,0,0]=3 10039 B13R0.165 CCOCCCC(=O)CCCCCO 1458a_100102619762_100012232248 [0,2,0,0,0,0|1,0,0]=3 10040 B13R0.165 CCOCCCC(=O)CCOCCO 1458a_100011229844_100012232248 [0,2,0,0,0,0|2,0,0]=4 10041 B13R0.165 CCOCCCC(=O)COCCOC 1458a_100000211095_100012232248 [0,2,0,0,0,0|1,0,0]=3 10042 B13R0.165 CCOCCNC(=O)CCCCCO 240690a_100011200944_100102619762 [0,2,0,0,0,0|1,0,0]=3 10043 B13R0.165 CCOCCNC(=O)CCOCCO 1626a_102516460346_100011229844 [0,2,0,0,0,0|2,0,0]=4 10044 B13R0.165 CCOCCNC(=O)CCOCCO 240690a_100011200944_100011229844 [0,2,0,0,0,0|2,0,0]=4 10045 B13R0.165 CCOCCNC(=O)COCCOC 11a_100011200944_100000211095 [0,2,0,0,0,0|2,0,0]=4 10046 B13R0.165 CCOCCNC(=O)COCCOC 1626a_102516460346_100000211095 [0,2,0,0,0,0|2,0,0]=4 10047 B13R0.165 CCOCCNC(=O)COCCOC 240690a_100011200944_100000211095 [0,2,0,0,0,0|2,0,0]=4 10048 B13R0.165 CCOCCNC(=O)COCCOC 527a_100011200944_100000211095 [0,2,0,0,0,0|2,0,0]=4 10049 B13R0.165 CCOCCNC(=O)NCCCCO 2708a_100000750430_100011200944 [0,2,0,0,0,0|2,0,0]=4 10050 B13R0.165 CCOCCNC(=O)NCCCCO 2708a_100011200944_100000750430 [0,2,0,0,0,0|2,0,0]=4 10051 B13R0.165 CCOCCNC(=O)NCCCCO 273464a_100000750430_102516460346 [0,2,0,0,0,0|2,0,0]=4 10052 B13R0.165 CCOCCNC(=O)NCCCCO 273464a_102516460346_100000750430 [0,2,0,0,0,0|2,0,0]=4 10053 B13R0.165 CCOCCNC(=O)NCCCCO 512a_100000750430_100011200944 [0,2,0,0,0,0|2,0,0]=4 10054 B13R0.165 CCOCCNC(=O)NCCCCO 512a_100011200944_100000750430 [0,2,0,0,0,0|2,0,0]=4 10055 B13R0.165 CCOCCNC(=O)NCCCOC 2708a_100011200944_100150723488 [0,2,0,0,0,0|2,0,0]=4 10056 B13R0.165 CCOCCNC(=O)NCCCOC 2708a_100150723488_100011200944 [0,2,0,0,0,0|2,0,0]=4 10057 B13R0.165 CCOCCNC(=O)NCCCOC 273464a_100150723488_102516460346 [0,2,0,0,0,0|2,0,0]=4 10058 B13R0.165 CCOCCNC(=O)NCCCOC 273464a_102516460346_100150723488 [0,2,0,0,0,0|2,0,0]=4 10059 B13R0.165 CCOCCNC(=O)NCCCOC 512a_100011200944_100150723488 [0,2,0,0,0,0|2,0,0]=4 10060 B13R0.165 CCOCCNC(=O)NCCCSC 2708a_100000749238_100011200944 [0,2,0,0,0,0|2,0,0]=4 10061 B13R0.165 CCOCCNC(=O)NCCCSC 2708a_100011200944_100000749238 [0,2,0,0,0,0|2,0,0]=4 10062 B13R0.165 CCOCCNC(=O)NCCCSC 273464a_100000749238_102516460346 [0,2,0,0,0,0|2,0,0]=4 10063 B13R0.165 CCOCCNC(=O)NCCCSC 273464a_102516460346_100000749238 [0,2,0,0,0,0|2,0,0]=4 10064 B13R0.165 CCOCCNC(=O)NCCCSC 512a_100000749238_100011200944 [0,2,0,0,0,0|2,0,0]=4 10065 B13R0.165 CCOCCNC(=O)NCCCSC 512a_100011200944_100000749238 [0,2,0,0,0,0|2,0,0]=4 10066 B13R0.165 CCOCCNC(=O)NCCOCC 2708a_100011200944_100011200944 [0,2,0,0,0,0|2,0,0]=4 10067 B13R0.165 CCOCCNC(=O)NCCOCC 273464a_102516460346_102516460346 [0,2,0,0,0,0|2,0,0]=4 10068 B13R0.165 CCOCCNC(=O)NCCOCC 512a_100011200944_100011200944 [0,2,0,0,0,0|2,0,0]=4 10069 B13R0.165 CCOCCNC(=O)NCCSCC 2708a_100000106463_100011200944 [0,2,0,0,0,0|2,0,0]=4 10070 B13R0.165 CCOCCNC(=O)NCCSCC 2708a_100011200944_100000106463 [0,2,0,0,0,0|2,0,0]=4 10071 B13R0.165 CCOCCNC(=O)NCCSCC 273464a_100000106463_102516460346 [0,2,0,0,0,0|2,0,0]=4 10072 B13R0.165 CCOCCNC(=O)NCCSCC 273464a_102516460346_100000106463 [0,2,0,0,0,0|2,0,0]=4 10073 B13R0.165 CCOCCNC(=O)NCCSCC 512a_100000106463_100011200944 [0,2,0,0,0,0|2,0,0]=4 10074 B13R0.165 CCOCCNC(=O)NCCSCC 512a_100011200944_100000106463 [0,2,0,0,0,0|2,0,0]=4 10075 B13R0.165 CCOCCOC(=O)CNCCCF 2230a_100015189416_200000101388 [0,2,0,0,0,0|1,0,0]=3 10076 B13R0.165 CCOCCOC(=O)CNCCCF 34a_100015189416_200000101388 [0,2,0,0,0,0|1,0,0]=3 10077 B13R0.165 CCOCCOC(=O)CNCCOC 2230a_100000209980_200000101388 [0,2,0,0,0,0|1,0,0]=3 10078 B13R0.165 CCOCCOC(=O)CNCCSC 2230a_100020590264_200000101388 [0,2,0,0,0,0|1,0,0]=3 10079 B13R0.165 CCOCCOC(=O)COCCCBr 34a_100011217188_200000101388 [0,2,0,0,0,0|1,0,0]=3 10080 B13R0.165 CCOCCOC(=O)COCCCCl 34a_100000230001_200000101388 [0,2,0,0,0,0|1,0,0]=3 10081 B13R0.165 CCOCCOC(=O)COCCCF 34a_100000759539_200000101388 [0,2,0,0,0,0|1,0,0]=3 10082 B13R0.165 CCOCCOC(=O)COCCCN 34a_100000182051_200000101388 [0,2,0,0,0,0|1,0,0]=3 10083 B13R0.165 CCOCCOC(=O)COCCOC 34a_100000210237_200000101388 [0,2,0,0,0,0|1,0,0]=3 10084 B13R0.165 CCOCCOC(=O)COCCON 34a_100000700252_200000101388 [0,2,0,0,0,0|2,0,0]=4 10085 B13R0.165 CCOCCOC(=O)COCCSC 34a_100000230434_200000101388 [0,2,0,0,0,0|1,0,0]=3 10086 B13R0.165 CCOCCOC(=O)COCCSC 7a_100000230434_200000101388 [0,2,0,0,0,0|1,0,0]=3 10087 B13R0.165 CCOCCOC(=O)CSCCC#N 62a_100011215226_200000101388 [0,2,0,0,0,0|1,0,1]=4 10088 B13R0.165 CCOCCOC(=O)CSCCC#N 62a_200000101388_100011215226 [0,2,0,0,0,0|1,0,1]=4 10089 B13R0.165 CCOCCOC(=O)CSCCCF 62a_100011934791_200000101388 [0,2,0,0,0,0|1,0,0]=3 10090 B13R0.165 CCOCCOC(=O)CSCCCF 62a_200000101388_100011934791 [0,2,0,0,0,0|1,0,0]=3 10091 B13R0.165 CCOCCOC(=O)CSCCCO 62a_100011215043_200000101388 [0,2,0,0,0,0|1,0,0]=3 10092 B13R0.165 CCOCCOC(=O)CSCCCO 62a_200000101388_100011215043 [0,2,0,0,0,0|1,0,0]=3 10093 B13R0.165 CCOCCOC(=O)CSCCOC 62a_100000233755_200000101388 [0,2,0,0,0,0|1,0,0]=3 10094 B13R0.165 CCOCCOC(=O)CSCCOC 62a_200000101388_100000233755 [0,2,0,0,0,0|1,0,0]=3 10095 B13R0.165 CCOCCOC(=O)CSCCSC 62a_100000212216_200000101388 [0,2,0,0,0,0|1,0,0]=3 10096 B13R0.165 CCOCCOC(=O)CSCCSC 62a_200000101388_100000751147 [0,2,0,0,0,0|1,0,0]=3 10097 B13R0.165 CCOCCOC(=O)CSCOCC 62a_100000739092_200000101388 [0,2,0,0,0,0|1,0,0]=3 10098 B13R0.165 CCOCCOC(=O)CSCOCC 62a_200000101388_100000739092 [0,2,0,0,0,0|1,0,0]=3 10099 B13R0.165 CCOCSCC(=O)NCCCOC 62a_100000183178_100000739092 [0,2,0,0,0,0|2,0,0]=4 10100 B13R0.165 CCSCCNC(=O)CCCCCO 240690a_100000106463_100102619762 [0,2,0,0,0,0|1,0,0]=3 10101 B13R0.165 CCSCCNC(=O)CCOCCO 1626a_100000106463_100011229844 [0,2,0,0,0,0|2,0,0]=4 10102 B13R0.165 CCSCCNC(=O)CCOCCO 240690a_100000106463_100011229844 [0,2,0,0,0,0|2,0,0]=4 10103 B13R0.165 CCSCCNC(=O)COCCOC 11a_100000106463_100000211095 [0,2,0,0,0,0|2,0,0]=4 10104 B13R0.165 CCSCCNC(=O)COCCOC 1626a_100000106463_100000211095 [0,2,0,0,0,0|2,0,0]=4 10105 B13R0.165 CCSCCNC(=O)COCCOC 240690a_100000106463_100000211095 [0,2,0,0,0,0|2,0,0]=4 10106 B13R0.165 CCSCCNC(=O)COCCOC 527a_100000106463_100000211095 [0,2,0,0,0,0|2,0,0]=4 10107 B13R0.165 CCSCCNC(=O)NCCCCO 2708a_100000106463_100000750430 [0,2,0,0,0,0|2,0,0]=4 10108 B13R0.165 CCSCCNC(=O)NCCCCO 2708a_100000750430_100000106463 [0,2,0,0,0,0|2,0,0]=4 10109 B13R0.165 CCSCCNC(=O)NCCCCO 273464a_100000106463_100000750430 [0,2,0,0,0,0|2,0,0]=4 10110 B13R0.165 CCSCCNC(=O)NCCCCO 273464a_100000750430_100000106463 [0,2,0,0,0,0|2,0,0]=4 10111 B13R0.165 CCSCCNC(=O)NCCCCO 512a_100000106463_100000750430 [0,2,0,0,0,0|2,0,0]=4 10112 B13R0.165 CCSCCNC(=O)NCCCCO 512a_100000750430_100000106463 [0,2,0,0,0,0|2,0,0]=4 10113 B13R0.165 CCSCCNC(=O)NCCCOC 2708a_100000106463_100150723488 [0,2,0,0,0,0|2,0,0]=4 10114 B13R0.165 CCSCCNC(=O)NCCCOC 2708a_100150723488_100000106463 [0,2,0,0,0,0|2,0,0]=4 10115 B13R0.165 CCSCCNC(=O)NCCCOC 273464a_100000106463_100150723488 [0,2,0,0,0,0|2,0,0]=4 10116 B13R0.165 CCSCCNC(=O)NCCCOC 273464a_100150723488_100000106463 [0,2,0,0,0,0|2,0,0]=4 10117 B13R0.165 CCSCCNC(=O)NCCCOC 512a_100000106463_100150723488 [0,2,0,0,0,0|2,0,0]=4 10118 B13R0.165 CCSCCNC(=O)NCCCSC 2708a_100000106463_100000749238 [0,2,0,0,0,0|2,0,0]=4 10119 B13R0.165 CCSCCNC(=O)NCCCSC 2708a_100000749238_100000106463 [0,2,0,0,0,0|2,0,0]=4 10120 B13R0.165 CCSCCNC(=O)NCCCSC 273464a_100000106463_100000749238 [0,2,0,0,0,0|2,0,0]=4 10121 B13R0.165 CCSCCNC(=O)NCCCSC 273464a_100000749238_100000106463 [0,2,0,0,0,0|2,0,0]=4 10122 B13R0.165 CCSCCNC(=O)NCCCSC 512a_100000106463_100000749238 [0,2,0,0,0,0|2,0,0]=4 10123 B13R0.165 CCSCCNC(=O)NCCCSC 512a_100000749238_100000106463 [0,2,0,0,0,0|2,0,0]=4 10124 B13R0.165 CCSCCNC(=O)NCCSCC 2708a_100000106463_100000106463 [0,2,0,0,0,0|2,0,0]=4 10125 B13R0.165 CCSCCNC(=O)NCCSCC 273464a_100000106463_100000106463 [0,2,0,0,0,0|2,0,0]=4 10126 B13R0.165 CCSCCNC(=O)NCCSCC 512a_100000106463_100000106463 [0,2,0,0,0,0|2,0,0]=4 10127 B13R0.165 COCCCCC(=O)CCCCCO 1458a_100102619762_100000755781 [0,2,0,0,0,0|1,0,0]=3 10128 B13R0.165 COCCCCC(=O)CCOCCO 1458a_100011229844_100000755781 [0,2,0,0,0,0|2,0,0]=4 10129 B13R0.165 COCCCCC(=O)COCCOC 1458a_100000211095_100000755781 [0,2,0,0,0,0|1,0,0]=3 10130 B13R0.165 COCCCNC(=O)CCCCCO 240690a_100150723488_100102619762 [0,2,0,0,0,0|1,0,0]=3 10131 B13R0.165 COCCCNC(=O)CCOCCO 1626a_100150723488_100011229844 [0,2,0,0,0,0|2,0,0]=4 10132 B13R0.165 COCCCNC(=O)CCOCCO 240690a_100150723488_100011229844 [0,2,0,0,0,0|2,0,0]=4 10133 B13R0.165 COCCCNC(=O)CNCCCF 2230a_100015189416_100000183178 [0,2,0,0,0,0|2,0,0]=4 10134 B13R0.165 COCCCNC(=O)CNCCCF 34a_100015189416_100000183178 [0,2,0,0,0,0|2,0,0]=4 10135 B13R0.165 COCCCNC(=O)CNCCOC 2230a_100000209980_100000183178 [0,2,0,0,0,0|2,0,0]=4 10136 B13R0.165 COCCCNC(=O)CNCCSC 2230a_100020590264_100000183178 [0,2,0,0,0,0|2,0,0]=4 10137 B13R0.165 COCCCNC(=O)COCCCBr 34a_100011217188_100000183178 [0,2,0,0,0,0|2,0,0]=4 10138 B13R0.165 COCCCNC(=O)COCCCCl 34a_100000230001_100000183178 [0,2,0,0,0,0|2,0,0]=4 10139 B13R0.165 COCCCNC(=O)COCCCF 34a_100000759539_100000183178 [0,2,0,0,0,0|2,0,0]=4 10140 B13R0.165 COCCCNC(=O)COCCCN 34a_100000182051_100000183178 [0,2,0,0,0,0|2,0,0]=4 10141 B13R0.165 COCCCNC(=O)COCCOC 1626a_100150723488_100000211095 [0,2,0,0,0,0|2,0,0]=4 10142 B13R0.165 COCCCNC(=O)COCCOC 240690a_100150723488_100000211095 [0,2,0,0,0,0|2,0,0]=4 10143 B13R0.165 COCCCNC(=O)COCCOC 34a_100000210237_100000183178 [0,2,0,0,0,0|2,0,0]=4 10144 B13R0.165 COCCCNC(=O)COCCOC 527a_100150723488_100000211095 [0,2,0,0,0,0|2,0,0]=4 10145 B13R0.165 COCCCNC(=O)COCCSC 34a_100000230434_100000183178 [0,2,0,0,0,0|2,0,0]=4 10146 B13R0.165 COCCCNC(=O)COCCSC 7a_100000230434_100000183178 [0,2,0,0,0,0|2,0,0]=4 10147 B13R0.165 COCCCNC(=O)CSCCCF 62a_100000183178_100011934791 [0,2,0,0,0,0|2,0,0]=4 10148 B13R0.165 COCCCNC(=O)CSCCCO 62a_100000183178_100011215043 [0,2,0,0,0,0|2,0,0]=4 10149 B13R0.165 COCCCNC(=O)CSCCOC 62a_100000183178_100000233755 [0,2,0,0,0,0|2,0,0]=4 10150 B13R0.165 COCCCNC(=O)CSCCSC 62a_100000183178_100000751147 [0,2,0,0,0,0|2,0,0]=4 10151 B13R0.165 COCCCNC(=O)NCCCCO 2708a_100000750430_100150723488 [0,2,0,0,0,0|2,0,0]=4 10152 B13R0.165 COCCCNC(=O)NCCCCO 2708a_100150723488_100000750430 [0,2,0,0,0,0|2,0,0]=4 10153 B13R0.165 COCCCNC(=O)NCCCCO 273464a_100000750430_100150723488 [0,2,0,0,0,0|2,0,0]=4 10154 B13R0.165 COCCCNC(=O)NCCCCO 273464a_100150723488_100000750430 [0,2,0,0,0,0|2,0,0]=4 10155 B13R0.165 COCCCNC(=O)NCCCCO 512a_100000750430_100150723488 [0,2,0,0,0,0|2,0,0]=4 10156 B13R0.165 COCCCNC(=O)NCCCOC 2708a_100150723488_100150723488 [0,2,0,0,0,0|2,0,0]=4 10157 B13R0.165 COCCCNC(=O)NCCCOC 273464a_100150723488_100150723488 [0,2,0,0,0,0|2,0,0]=4 10158 B13R0.165 COCCCNC(=O)NCCCSC 2708a_100000749238_100150723488 [0,2,0,0,0,0|2,0,0]=4 10159 B13R0.165 COCCCNC(=O)NCCCSC 2708a_100150723488_100000749238 [0,2,0,0,0,0|2,0,0]=4 10160 B13R0.165 COCCCNC(=O)NCCCSC 273464a_100000749238_100150723488 [0,2,0,0,0,0|2,0,0]=4 10161 B13R0.165 COCCCNC(=O)NCCCSC 273464a_100150723488_100000749238 [0,2,0,0,0,0|2,0,0]=4 10162 B13R0.165 COCCCNC(=O)NCCCSC 512a_100000749238_100150723488 [0,2,0,0,0,0|2,0,0]=4 10163 B13R0.165 COCCNNC(=O)CCCCCO 22a_100000741390_100102619762 [0,2,0,0,0,0|2,0,0]=4 10164 B13R0.165 COCCOCC(=O)CCCCC#N 1458a_100000211095_100000211819 [0,2,0,0,0,0|1,0,1]=4 10165 B13R0.165 COCCOCC(=O)CCCCCF 1458a_100000211095_100000729378 [0,2,0,0,0,0|1,0,0]=3 10166 B13R0.165 COCCOCC(=O)CCCCCO 1458a_100000211095_100000746330 [0,2,0,0,0,0|1,0,0]=3 10167 B13R0.165 COCCOCC(=O)CCOCCO 1458a_100000211095_100011215305 [0,2,0,0,0,0|2,0,0]=4 10168 B13R0.165 COCCOCC(=O)NCCCCO 240690a_100000750430_100000211095 [0,2,0,0,0,0|2,0,0]=4 10169 B13R0.165 COCCOCC(=O)NCCCCO 527a_100000750430_100000211095 [0,2,0,0,0,0|2,0,0]=4 10170 B13R0.165 COCCOCC(=O)NCCCSC 11a_100000749238_100000211095 [0,2,0,0,0,0|2,0,0]=4 10171 B13R0.165 COCCOCC(=O)NCCCSC 1626a_100000749238_100000211095 [0,2,0,0,0,0|2,0,0]=4 10172 B13R0.165 COCCOCC(=O)NCCCSC 240690a_100000749238_100000211095 [0,2,0,0,0,0|2,0,0]=4 10173 B13R0.165 COCCOCC(=O)NCCCSC 527a_100000749238_100000211095 [0,2,0,0,0,0|2,0,0]=4 10174 B13R0.165 CSCCCNC(=O)CCCCCO 240690a_100000749238_100102619762 [0,2,0,0,0,0|1,0,0]=3 10175 B13R0.165 CSCCCNC(=O)CCOCCO 1626a_100000749238_100011229844 [0,2,0,0,0,0|2,0,0]=4 10176 B13R0.165 CSCCCNC(=O)CCOCCO 240690a_100000749238_100011229844 [0,2,0,0,0,0|2,0,0]=4 10177 B13R0.165 CSCCCNC(=O)NCCCCO 2708a_100000749238_100000750430 [0,2,0,0,0,0|2,0,0]=4 10178 B13R0.165 CSCCCNC(=O)NCCCCO 2708a_100000750430_100000749238 [0,2,0,0,0,0|2,0,0]=4 10179 B13R0.165 CSCCCNC(=O)NCCCCO 273464a_100000749238_100000750430 [0,2,0,0,0,0|2,0,0]=4 10180 B13R0.165 CSCCCNC(=O)NCCCCO 273464a_100000750430_100000749238 [0,2,0,0,0,0|2,0,0]=4 10181 B13R0.165 CSCCCNC(=O)NCCCCO 512a_100000749238_100000750430 [0,2,0,0,0,0|2,0,0]=4 10182 B13R0.165 CSCCCNC(=O)NCCCCO 512a_100000750430_100000749238 [0,2,0,0,0,0|2,0,0]=4 10183 B13R0.165 CSCCCNC(=O)NCCCSC 2708a_100000749238_100000749238 [0,2,0,0,0,0|2,0,0]=4 10184 B13R0.165 CSCCCNC(=O)NCCCSC 273464a_100000749238_100000749238 [0,2,0,0,0,0|2,0,0]=4 10185 B13R0.165 CSCCCNC(=O)NCCCSC 512a_100000749238_100000749238 [0,2,0,0,0,0|2,0,0]=4 10186 B13R0.165 N#CCCCCC(=O)CCCCCO 1458a_100102619762_100000211819 [0,2,0,0,0,0|1,0,1]=4 10187 B13R0.165 O=C(CCCCCF)CCOCCO 1458a_100011229844_100000729378 [0,2,0,0,0,0|2,0,0]=4 10188 B13R0.165 O=C(CCCCCO)CCCCCF 1458a_100102619762_100000729378 [0,2,0,0,0,0|1,0,0]=3 10189 B13R0.165 O=C(CCCCCO)CCCCCO 1458a_100102619762_100000746330 [0,2,0,0,0,0|1,0,0]=3 10190 B13R0.165 O=C(CCCCCO)CCOCCO 1458a_100011229844_100000746330 [0,2,0,0,0,0|2,0,0]=4 10191 B13R0.165 O=C(CCCCCO)CCOCCO 1458a_100102619762_100011215305 [0,2,0,0,0,0|2,0,0]=4 10192 B13R0.165 O=C(CCCCCO)NCCCCO 240690a_100000750430_100102619762 [0,2,0,0,0,0|1,0,0]=3 10193 B13R0.165 O=C(CCOCCO)NCCCCO 240690a_100000750430_100011229844 [0,2,0,0,0,0|2,0,0]=4 10194 B13R0.165 O=C(NCCCCO)NCCCCO 2708a_100000750430_100000750430 [0,2,0,0,0,0|2,0,0]=4 10195 B13R0.165 O=C(NCCCCO)NCCCCO 273464a_100000750430_100000750430 [0,2,0,0,0,0|2,0,0]=4 10196 B13R0.165 O=C(NCCCCO)NCCCCO 512a_100000750430_100000750430 [0,2,0,0,0,0|2,0,0]=4 10197 B13R0.188 C=C(Br)CCOCC(=O)CCCCC 34a_100009813270_200012276598 [0,2,0,0,0,0|0,0,2]=4 10198 B13R0.188 C=C(Br)CCOCC(=O)OCCCC 34a_100009813270_100000211628 [0,2,0,0,0,0|0,0,2]=4 10199 B13R0.188 C=C(C)CCOCC(=O)CCCCC 34a_100000764851_200012276598 [0,2,0,0,0,0|0,0,1]=3 10200 B13R0.188 C=C(C)CCOCC(=O)NCCCC 34a_100000764851_100000182744 [0,2,0,0,0,0|1,0,1]=4 10201 B13R0.188 C=C(C)CCOCC(=O)OCCCC 34a_100000764851_100000211628 [0,2,0,0,0,0|0,0,1]=3 10202 B13R0.188 C=C(C)CCOCC(=O)OCCOC 34a_100000764851_200000040189 [0,2,0,0,0,0|1,0,1]=4 10203 B13R0.188 C=C(C)CCSCC(=O)CCCCC 62a_100000730704_200012276598 [0,2,0,0,0,0|0,1,1]=4 10204 B13R0.188 C=C(C)CCSCC(=O)CCCCC 62a_200012276598_100000730704 [0,2,0,0,0,0|0,1,1]=4 10205 B13R0.188 C=C(C)CCSCC(=O)NCCCC 62a_100000182744_100000730704 [0,2,0,0,0,0|1,0,1]=4 10206 B13R0.188 C=C(C)CCSCC(=O)NCCCC 62a_100000730704_100000182744 [0,2,0,0,0,0|1,0,1]=4 10207 B13R0.188 C=C(C)CCSCC(=O)OCCCC 62a_100000211628_100000730704 [0,2,0,0,0,0|0,0,1]=3 10208 B13R0.188 C=C(C)CCSCC(=O)OCCCC 62a_100000730704_100000211628 [0,2,0,0,0,0|0,0,1]=3 10209 B13R0.188 C=C(C)CCSCC(=O)OCCOC 62a_100000730704_200000040189 [0,2,0,0,0,0|1,0,1]=4 10210 B13R0.188 C=C(C)CCSCC(=O)OCCOC 62a_200000040189_100000730704 [0,2,0,0,0,0|1,0,1]=4 10211 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [0,2,0,0,0,0|2,0,0]=4 10212 B13R0.188 CC(C)CCCCC(=O)CCCCF 1458a_100011933920_100000729493 [0,2,0,0,0,0|2,0,0]=4 10213 B13R0.188 CC(C)CCCCC(=O)CCCCO 1458a_100000695505_100011216152 [0,2,0,0,0,0|2,0,0]=4 10214 B13R0.188 CC(C)CCCCC(=O)CCCCO 1458a_100011933920_100000210776 [0,2,0,0,0,0|2,0,0]=4 10215 B13R0.188 CC(C)CCCCC(=O)NCCCF 11a_100015189416_100011933920 [0,2,0,0,0,0|2,0,0]=4 10216 B13R0.188 CC(C)CCCCC(=O)NCCCF 1626a_100015189416_100011933920 [0,2,0,0,0,0|2,0,0]=4 10217 B13R0.188 CC(C)CCCCC(=O)NCCCF 240690a_100015189416_100011933920 [0,2,0,0,0,0|2,0,0]=4 10218 B13R0.188 CC(C)CCCCC(=O)NCCCF 527a_100015189416_100011933920 [0,2,0,0,0,0|2,0,0]=4 10219 B13R0.188 CC(C)CCCCC(=O)NCCCO 240690a_100000182051_100011933920 [0,2,0,0,0,0|2,0,0]=4 10220 B13R0.188 CC(C)CCCCC(=O)NCCCO 527a_100000182051_100011933920 [0,2,0,0,0,0|2,0,0]=4 10221 B13R0.188 CC(C)CCCNC(=O)CCCCO 1626a_200000737386_100000695505 [0,2,0,0,0,0|2,0,0]=4 10222 B13R0.188 CC(C)CCCNC(=O)NCCCF 2708a_100015189416_200000737386 [0,2,0,0,0,0|2,0,0]=4 10223 B13R0.188 CC(C)CCCNC(=O)NCCCF 2708a_200000737386_100015189416 [0,2,0,0,0,0|2,0,0]=4 10224 B13R0.188 CC(C)CCCNC(=O)NCCCF 273464a_100015189416_200000737386 [0,2,0,0,0,0|2,0,0]=4 10225 B13R0.188 CC(C)CCCNC(=O)NCCCF 273464a_200000737386_100015189416 [0,2,0,0,0,0|2,0,0]=4 10226 B13R0.188 CC(C)CCCNC(=O)NCCCF 512a_100015189416_200000737386 [0,2,0,0,0,0|2,0,0]=4 10227 B13R0.188 CC(C)CCCNC(=O)NCCCF 512a_200000737386_100015189416 [0,2,0,0,0,0|2,0,0]=4 10228 B13R0.188 CC(C)CCCNC(=O)NCCCO 2708a_200000737386_100000182051 [0,2,0,0,0,0|2,0,0]=4 10229 B13R0.188 CC(C)CCCNC(=O)NCCCO 273464a_100000182051_200000737386 [0,2,0,0,0,0|2,0,0]=4 10230 B13R0.188 CC(C)CCCNC(=O)NCCCO 273464a_200000737386_100000182051 [0,2,0,0,0,0|2,0,0]=4 10231 B13R0.188 CC(C)CCCNC(=O)NCCCO 512a_200000737386_100000182051 [0,2,0,0,0,0|2,0,0]=4 10232 B13R0.188 CC(C)OCCNC(=O)CCCCO 1626a_100000701111_100000695505 [0,2,0,0,0,0|2,0,0]=4 10233 B13R0.188 CC(C)SCCNC(=O)CCCCO 1626a_100000731138_100000695505 [0,2,0,0,0,0|2,0,0]=4 10234 B13R0.188 CCCC#CC(=O)CCCCC(=O)C 1458a_200011218047_100000735457 [0,2,0,0,0,0|1,0,1]=4 10235 B13R0.188 CCCC#CC(=O)CCCCC(C)C 1458a_200011218047_100011216152 [0,2,0,0,0,0|1,0,1]=4 10236 B13R0.188 CCCC#CC(=O)NCCCC(C)C 240690a_200000737386_200011218047 [0,2,0,0,0,0|1,0,1]=4 10237 B13R0.188 CCCC=CC(=O)CCCCC(=O)C 1458a_100000212230_100000735457 [0,2,0,0,0,0|1,0,1]=4 10238 B13R0.188 CCCC=CC(=O)CCCCC(C)C 1458a_100000212230_100011216152 [0,2,0,0,0,0|1,0,1]=4 10239 B13R0.188 CCCC=CC(=O)NCCCC(C)C 11a_200000737386_100000212230 [0,2,0,0,0,0|1,0,1]=4 10240 B13R0.188 CCCC=CC(=O)NCCCC(C)C 1626a_200000737386_100000212230 [0,2,0,0,0,0|1,0,1]=4 10241 B13R0.188 CCCC=CC(=O)NCCCC(C)C 240690a_200000737386_100000212230 [0,2,0,0,0,0|1,0,1]=4 10242 B13R0.188 CCCCCC(=O)CCCCB(O)O 1458a_100000212188_200009817182 [0,2,0,0,0,0|2,0,0]=4 10243 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [0,2,0,0,0,0|1,0,0]=3 10244 B13R0.188 CCCCCC(=O)CCCCC(C)C 1458a_100000212188_100011216152 [0,2,0,0,0,0|1,0,0]=3 10245 B13R0.188 CCCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210326 [0,2,0,0,0,0|1,0,0]=3 10246 B13R0.188 CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210326 [0,2,0,0,0,0|1,0,1]=4 10247 B13R0.188 CCCCCC(=O)CCCOC(=O)C 1458a_100000212188_100000042594 [0,2,0,0,0,0|1,0,1]=4 10248 B13R0.188 CCCCCC(=O)CCCOC(=S)C 1458a_100000212188_200135323944 [0,2,0,0,0,0|1,0,1]=4 10249 B13R0.188 CCCCCC(=O)CCCSC(=O)C 1458a_100000212188_100000038929 [0,2,0,0,0,0|1,0,1]=4 10250 B13R0.188 CCCCCC(=O)CCOCC(F)F 1458a_100000212188_200012177212 [0,2,0,0,0,0|2,0,0]=4 10251 B13R0.188 CCCCCC(=O)CNCCC(C)O 2230a_200000755665_200012276598 [0,2,0,0,0,0|1,0,0]=3 10252 B13R0.188 CCCCCC(=O)COCC=C(C)C 34a_100000753907_200012276598 [0,2,0,0,0,0|0,0,2]=4 10253 B13R0.188 CCCCCC(=O)COCCC(=O)C 34a_100000759926_200012276598 [0,2,0,0,0,0|0,0,1]=3 10254 B13R0.188 CCCCCC(=O)COCCC(=O)C 7a_100000759926_200012276598 [0,2,0,0,0,0|0,0,1]=3 10255 B13R0.188 CCCCCC(=O)COCCC(=O)N 34a_100000757172_200012276598 [0,2,0,0,0,0|1,0,1]=4 10256 B13R0.188 CCCCCC(=O)COCCC(=O)N 7a_100000757172_200012276598 [0,2,0,0,0,0|1,0,1]=4 10257 B13R0.188 CCCCCC(=O)COCCC(C)Br 34a_100009893172_200012276598 [0,2,0,0,0,0|0,0,0]=2 10258 B13R0.188 CCCCCC(=O)COCCC(C)C 34a_100000210254_200012276598 [0,2,0,0,0,0|0,0,0]=2 10259 B13R0.188 CCCCCC(=O)COCCC(C)C 7a_100000210254_200012276598 [0,2,0,0,0,0|0,0,0]=2 10260 B13R0.188 CCCCCC(=O)COCCC(F)F 34a_100103093639_200012276598 [0,2,0,0,0,0|1,0,0]=3 10261 B13R0.188 CCCCCC(=O)COCC[C@@H](C)N 34a_100000706166_200012276598 [0,2,0,0,0,0|0,0,0]=2 10262 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_100000053229_200012276598 [0,2,0,0,0,0|0,1,1]=4 10263 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_200012276598_100000053229 [0,2,0,0,0,0|0,1,1]=4 10264 B13R0.188 CCCCCC(=O)CSCCC(C)C 62a_100000210312_200012276598 [0,2,0,0,0,0|0,1,0]=3 10265 B13R0.188 CCCCCC(=O)CSCCC(C)C 62a_200012276598_100000210312 [0,2,0,0,0,0|0,1,0]=3 10266 B13R0.188 CCCCCC(=O)CSCCC(C)O 62a_100012276601_200012276598 [0,2,0,0,0,0|0,1,0]=3 10267 B13R0.188 CCCCCC(=O)CSCCC(C)O 62a_200012276598_100012276601 [0,2,0,0,0,0|0,1,0]=3 10268 B13R0.188 CCCCCC(=O)CSCCN(C)C 62a_200012276598_100000755713 [0,2,0,0,0,0|1,1,0]=4 10269 B13R0.188 CCCCCC(=O)CSCOC(C)C 62a_100000709892_200012276598 [0,2,0,0,0,0|1,1,0]=4 10270 B13R0.188 CCCCCC(=O)CSCOC(C)C 62a_200012276598_100000709892 [0,2,0,0,0,0|1,1,0]=4 10271 B13R0.188 CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000212188 [0,2,0,0,0,0|1,0,1]=4 10272 B13R0.188 CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000212188 [0,2,0,0,0,0|1,0,1]=4 10273 B13R0.188 CCCCCC(=O)NCCCC(C)C 11a_200000737386_100000212188 [0,2,0,0,0,0|1,0,0]=3 10274 B13R0.188 CCCCCC(=O)NCCCC(C)C 1626a_200000737386_100000212188 [0,2,0,0,0,0|1,0,0]=3 10275 B13R0.188 CCCCCC(=O)NCCCC(C)C 240690a_200000737386_100000212188 [0,2,0,0,0,0|1,0,0]=3 10276 B13R0.188 CCCCCC(=O)NCCCC(C)C 527a_200000737386_100000212188 [0,2,0,0,0,0|1,0,0]=3 10277 B13R0.188 CCCCCC(=O)NCCCN(C)C 240690a_102531767803_100000212188 [0,2,0,0,0,0|1,0,0]=3 10278 B13R0.188 CCCCCC(=O)NCCCN(C)C 527a_102531767803_100000212188 [0,2,0,0,0,0|1,0,0]=3 10279 B13R0.188 CCCCCC(=O)NCCCS(=O)C 11a_200000753449_100000212188 [0,2,0,0,0,0|1,0,0]=3 10280 B13R0.188 CCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000212188 [0,2,0,0,0,0|1,0,0]=3 10281 B13R0.188 CCCCCC(=O)NCCCS(=O)C 527a_200000753449_100000212188 [0,2,0,0,0,0|1,0,0]=3 10282 B13R0.188 CCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000212188 [0,2,0,0,0,0|1,0,1]=4 10283 B13R0.188 CCCCCC(=O)NCCNC(=O)C 527a_100000209853_100000212188 [0,2,0,0,0,0|1,0,1]=4 10284 B13R0.188 CCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000212188 [0,2,0,0,0,0|1,0,1]=4 10285 B13R0.188 CCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000212188 [0,2,0,0,0,0|1,0,1]=4 10286 B13R0.188 CCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000212188 [0,2,0,0,0,0|1,0,1]=4 10287 B13R0.188 CCCCCC(=O)NCCOC(C)C 11a_100000701111_100000212188 [0,2,0,0,0,0|1,0,0]=3 10288 B13R0.188 CCCCCC(=O)NCCOC(C)C 1626a_100000701111_100000212188 [0,2,0,0,0,0|1,0,0]=3 10289 B13R0.188 CCCCCC(=O)NCCOC(C)C 240690a_100000701111_100000212188 [0,2,0,0,0,0|1,0,0]=3 10290 B13R0.188 CCCCCC(=O)NCCOC(C)C 527a_100000701111_100000212188 [0,2,0,0,0,0|1,0,0]=3 10291 B13R0.188 CCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000212188 [0,2,0,0,0,0|1,0,1]=4 10292 B13R0.188 CCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000212188 [0,2,0,0,0,0|1,0,1]=4 10293 B13R0.188 CCCCCC(=O)NCCSC(=O)C 527a_100020647217_100000212188 [0,2,0,0,0,0|1,0,1]=4 10294 B13R0.188 CCCCCC(=O)NCCSC(C)C 11a_100000731138_100000212188 [0,2,0,0,0,0|1,0,0]=3 10295 B13R0.188 CCCCCC(=O)NCCSC(C)C 1626a_100000731138_100000212188 [0,2,0,0,0,0|1,0,0]=3 10296 B13R0.188 CCCCCC(=O)NCCSC(C)C 240690a_100000731138_100000212188 [0,2,0,0,0,0|1,0,0]=3 10297 B13R0.188 CCCCCC(=O)NCCSC(C)C 527a_100000731138_100000212188 [0,2,0,0,0,0|1,0,0]=3 10298 B13R0.188 CCCCCC(=O)NN=CCC(C)C 4a_100000189784_100000185833 [0,2,0,0,0,0|1,0,1]=4 10299 B13R0.188 CCCCCC(=O)NNCCN(C)C 22a_100000738145_100000212188 [0,2,0,0,0,0|2,0,0]=4 10300 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [0,2,0,0,0,0|1,0,1]=4 10301 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [0,2,0,0,0,0|1,0,1]=4 10302 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [0,2,0,0,0,0|1,0,1]=4 10303 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [0,2,0,0,0,0|1,0,1]=4 10304 B13R0.188 CCCCCC(C)OCCCC(C)C 34a_100000210774_200011218191 [0,2,0,0,0,0|1,0,1]=4 10305 B13R0.188 CCCCCC(C)OCCCC(C)C 34a_100011215632_100011214892 [0,2,0,0,0,0|1,0,1]=4 10306 B13R0.188 CCCCCC(C)OCCCC(C)C 7a_100000210774_200011218191 [0,2,0,0,0,0|1,0,1]=4 10307 B13R0.188 CCCCCC(C)OCCCC(C)C 7a_100011215632_100011214892 [0,2,0,0,0,0|1,0,1]=4 10308 B13R0.188 CCCCCC(C)OCCCC(C)O 34a_100011215632_200000718107 [0,2,0,0,0,0|1,0,1]=4 10309 B13R0.188 CCCCCC(C)OCCCC(C)O 7a_100011215632_200000718107 [0,2,0,0,0,0|1,0,1]=4 10310 B13R0.188 CCCCCC(C)OCCCN(C)C 7a_100011215632_100000757444 [0,2,0,0,0,0|1,0,1]=4 10311 B13R0.188 CCCCCC(C)OCCNC(C)C 34a_100000224655_200011218191 [0,2,0,0,0,0|1,0,1]=4 10312 B13R0.188 CCCCCC(C)OCCOC(C)C 34a_100000211219_200011218191 [0,2,0,0,0,0|1,0,1]=4 10313 B13R0.188 CCCCCC(C)OCCOC(C)C 34a_100011215632_100000211751 [0,2,0,0,0,0|1,0,1]=4 10314 B13R0.188 CCCCCC(C)OCCOC(C)C 7a_100000211219_200011218191 [0,2,0,0,0,0|1,0,1]=4 10315 B13R0.188 CCCCCC(C)OCCOC(C)C 7a_100011215632_100000211751 [0,2,0,0,0,0|1,0,1]=4 10316 B13R0.188 CCCCCC(C)OCCSC(C)C 34a_100011215632_100000730970 [0,2,0,0,0,0|1,0,1]=4 10317 B13R0.188 CCCCCC(C)OCCSC(C)C 34a_200011212901_200011218191 [0,2,0,0,0,0|1,0,1]=4 10318 B13R0.188 CCCCCC(C)OCCSC(C)C 7a_100011215632_100000730970 [0,2,0,0,0,0|1,0,1]=4 10319 B13R0.188 CCCCCC(C)OCCSC(C)C 7a_200011212901_200011218191 [0,2,0,0,0,0|1,0,1]=4 10320 B13R0.188 CCCCNC(=O)CCCCC(C)C 11a_100000102301_100011933920 [0,2,0,0,0,0|1,0,0]=3 10321 B13R0.188 CCCCNC(=O)CCCCC(C)C 1626a_100000102301_100011933920 [0,2,0,0,0,0|1,0,0]=3 10322 B13R0.188 CCCCNC(=O)CCCCC(C)C 240690a_100000102301_100011933920 [0,2,0,0,0,0|1,0,0]=3 10323 B13R0.188 CCCCNC(=O)CCCCC(C)C 527a_100000102301_100011933920 [0,2,0,0,0,0|1,0,0]=3 10324 B13R0.188 CCCCNC(=O)CCCCN(C)C 11a_100000102301_100000751710 [0,2,0,0,0,0|1,0,0]=3 10325 B13R0.188 CCCCNC(=O)CCCCN(C)C 240690a_100000102301_100000751710 [0,2,0,0,0,0|1,0,0]=3 10326 B13R0.188 CCCCNC(=O)CCCCN(C)C 527a_100000102301_100000751710 [0,2,0,0,0,0|1,0,0]=3 10327 B13R0.188 CCCCNC(=O)CCCNC(=O)C 11a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 10328 B13R0.188 CCCCNC(=O)CCCNC(=O)C 1626a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 10329 B13R0.188 CCCCNC(=O)CCCNC(=O)C 240690a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 10330 B13R0.188 CCCCNC(=O)CCCNC(=O)C 527a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 10331 B13R0.188 CCCCNC(=O)CNCCC(C)O 2230a_200000755665_100000182744 [0,2,0,0,0,0|1,0,0]=3 10332 B13R0.188 CCCCNC(=O)COCCC(=O)C 34a_100000759926_100000182744 [0,2,0,0,0,0|1,0,1]=4 10333 B13R0.188 CCCCNC(=O)COCCC(=O)C 7a_100000759926_100000182744 [0,2,0,0,0,0|1,0,1]=4 10334 B13R0.188 CCCCNC(=O)COCCC(C)Br 34a_100009893172_100000182744 [0,2,0,0,0,0|1,0,0]=3 10335 B13R0.188 CCCCNC(=O)COCCC(C)C 34a_100000210254_100000182744 [0,2,0,0,0,0|1,0,0]=3 10336 B13R0.188 CCCCNC(=O)COCCC(C)C 7a_100000210254_100000182744 [0,2,0,0,0,0|1,0,0]=3 10337 B13R0.188 CCCCNC(=O)COCCC(F)F 34a_100103093639_100000182744 [0,2,0,0,0,0|2,0,0]=4 10338 B13R0.188 CCCCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000182744 [0,2,0,0,0,0|1,0,0]=3 10339 B13R0.188 CCCCNC(=O)CSCCC(=O)C 62a_100000053229_100000182744 [0,2,0,0,0,0|1,0,1]=4 10340 B13R0.188 CCCCNC(=O)CSCCC(=O)C 62a_100000182744_100000053229 [0,2,0,0,0,0|1,0,1]=4 10341 B13R0.188 CCCCNC(=O)CSCCC(C)C 62a_100000182744_100000210312 [0,2,0,0,0,0|1,0,0]=3 10342 B13R0.188 CCCCNC(=O)CSCCC(C)C 62a_100000210312_100000182744 [0,2,0,0,0,0|1,0,0]=3 10343 B13R0.188 CCCCNC(=O)CSCCC(C)O 62a_100000182744_100012276601 [0,2,0,0,0,0|1,0,0]=3 10344 B13R0.188 CCCCNC(=O)CSCCC(C)O 62a_100012276601_100000182744 [0,2,0,0,0,0|1,0,0]=3 10345 B13R0.188 CCCCNC(=O)CSCCN(C)C 62a_100000182744_100000755713 [0,2,0,0,0,0|2,0,0]=4 10346 B13R0.188 CCCCNC(=O)CSCOC(C)C 62a_100000182744_100000709892 [0,2,0,0,0,0|2,0,0]=4 10347 B13R0.188 CCCCNC(=O)CSCOC(C)C 62a_100000709892_100000182744 [0,2,0,0,0,0|2,0,0]=4 10348 B13R0.188 CCCCNC(=O)NCCCC(C)C 2708a_100000102301_200000737386 [0,2,0,0,0,0|1,0,0]=3 10349 B13R0.188 CCCCNC(=O)NCCCC(C)C 2708a_200000737386_100000102301 [0,2,0,0,0,0|1,0,0]=3 10350 B13R0.188 CCCCNC(=O)NCCCC(C)C 273464a_100000102301_200000737386 [0,2,0,0,0,0|1,0,0]=3 10351 B13R0.188 CCCCNC(=O)NCCCC(C)C 273464a_200000737386_100000102301 [0,2,0,0,0,0|1,0,0]=3 10352 B13R0.188 CCCCNC(=O)NCCCC(C)C 512a_100000102301_200000737386 [0,2,0,0,0,0|1,0,0]=3 10353 B13R0.188 CCCCNC(=O)NCCCC(C)C 512a_200000737386_100000102301 [0,2,0,0,0,0|1,0,0]=3 10354 B13R0.188 CCCCNC(=O)NCCCN(C)C 2708a_100000102301_102531767803 [0,2,0,0,0,0|2,0,0]=4 10355 B13R0.188 CCCCNC(=O)NCCCN(C)C 273464a_100000102301_102531767803 [0,2,0,0,0,0|2,0,0]=4 10356 B13R0.188 CCCCNC(=O)NCCCN(C)C 273464a_102531767803_100000102301 [0,2,0,0,0,0|2,0,0]=4 10357 B13R0.188 CCCCNC(=O)NCCCN(C)C 512a_100000102301_102531767803 [0,2,0,0,0,0|2,0,0]=4 10358 B13R0.188 CCCCNC(=O)NCCCN(C)C 512a_102531767803_100000102301 [0,2,0,0,0,0|2,0,0]=4 10359 B13R0.188 CCCCNC(=O)NCCCS(=O)C 2708a_100000102301_200000753449 [0,2,0,0,0,0|2,0,0]=4 10360 B13R0.188 CCCCNC(=O)NCCCS(=O)C 2708a_200000753449_100000102301 [0,2,0,0,0,0|2,0,0]=4 10361 B13R0.188 CCCCNC(=O)NCCCS(=O)C 273464a_100000102301_200000753449 [0,2,0,0,0,0|2,0,0]=4 10362 B13R0.188 CCCCNC(=O)NCCCS(=O)C 273464a_200000753449_100000102301 [0,2,0,0,0,0|2,0,0]=4 10363 B13R0.188 CCCCNC(=O)NCCCS(=O)C 512a_100000102301_200000753449 [0,2,0,0,0,0|2,0,0]=4 10364 B13R0.188 CCCCNC(=O)NCCCS(=O)C 512a_200000753449_100000102301 [0,2,0,0,0,0|2,0,0]=4 10365 B13R0.188 CCCCNC(=O)NCCOC(C)C 2708a_100000102301_100000701111 [0,2,0,0,0,0|2,0,0]=4 10366 B13R0.188 CCCCNC(=O)NCCOC(C)C 2708a_100000701111_100000102301 [0,2,0,0,0,0|2,0,0]=4 10367 B13R0.188 CCCCNC(=O)NCCOC(C)C 273464a_100000102301_100000701111 [0,2,0,0,0,0|2,0,0]=4 10368 B13R0.188 CCCCNC(=O)NCCOC(C)C 273464a_100000701111_100000102301 [0,2,0,0,0,0|2,0,0]=4 10369 B13R0.188 CCCCNC(=O)NCCOC(C)C 512a_100000102301_100000701111 [0,2,0,0,0,0|2,0,0]=4 10370 B13R0.188 CCCCNC(=O)NCCOC(C)C 512a_100000701111_100000102301 [0,2,0,0,0,0|2,0,0]=4 10371 B13R0.188 CCCCNC(=O)NCCSC(C)C 2708a_100000102301_100000731138 [0,2,0,0,0,0|2,0,0]=4 10372 B13R0.188 CCCCNC(=O)NCCSC(C)C 2708a_100000731138_100000102301 [0,2,0,0,0,0|2,0,0]=4 10373 B13R0.188 CCCCNC(=O)NCCSC(C)C 273464a_100000102301_100000731138 [0,2,0,0,0,0|2,0,0]=4 10374 B13R0.188 CCCCNC(=O)NCCSC(C)C 273464a_100000731138_100000102301 [0,2,0,0,0,0|2,0,0]=4 10375 B13R0.188 CCCCNC(=O)NCCSC(C)C 512a_100000102301_100000731138 [0,2,0,0,0,0|2,0,0]=4 10376 B13R0.188 CCCCNC(=O)NCCSC(C)C 512a_100000731138_100000102301 [0,2,0,0,0,0|2,0,0]=4 10377 B13R0.188 CCCCOC(=O)CNCC=C(C)C 34a_100000718196_100000211628 [0,2,0,0,0,0|0,0,2]=4 10378 B13R0.188 CCCCOC(=O)CNCCC(C)O 2230a_200000755665_100000211628 [0,2,0,0,0,0|0,0,0]=2 10379 B13R0.188 CCCCOC(=O)COCC=C(C)C 34a_100000753907_100000211628 [0,2,0,0,0,0|0,0,2]=4 10380 B13R0.188 CCCCOC(=O)COCCC(=O)C 34a_100000759926_100000211628 [0,2,0,0,0,0|0,0,1]=3 10381 B13R0.188 CCCCOC(=O)COCCC(=O)C 7a_100000759926_100000211628 [0,2,0,0,0,0|0,0,1]=3 10382 B13R0.188 CCCCOC(=O)COCCC(=O)N 34a_100000757172_100000211628 [0,2,0,0,0,0|1,0,1]=4 10383 B13R0.188 CCCCOC(=O)COCCC(=O)N 7a_100000757172_100000211628 [0,2,0,0,0,0|1,0,1]=4 10384 B13R0.188 CCCCOC(=O)COCCC(C)Br 34a_100009893172_100000211628 [0,2,0,0,0,0|0,0,0]=2 10385 B13R0.188 CCCCOC(=O)COCCC(C)C 34a_100000210254_100000211628 [0,2,0,0,0,0|0,0,0]=2 10386 B13R0.188 CCCCOC(=O)COCCC(C)C 7a_100000210254_100000211628 [0,2,0,0,0,0|0,0,0]=2 10387 B13R0.188 CCCCOC(=O)COCCC(F)F 34a_100103093639_100000211628 [0,2,0,0,0,0|1,0,0]=3 10388 B13R0.188 CCCCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000211628 [0,2,0,0,0,0|0,0,0]=2 10389 B13R0.188 CCCCOC(=O)CSCC=C(C)C 62a_100000211628_100000761012 [0,2,0,0,0,0|0,0,2]=4 10390 B13R0.188 CCCCOC(=O)CSCC=C(C)C 62a_100000761012_100000211628 [0,2,0,0,0,0|0,0,2]=4 10391 B13R0.188 CCCCOC(=O)CSCCC(=O)C 62a_100000053229_100000211628 [0,2,0,0,0,0|0,0,1]=3 10392 B13R0.188 CCCCOC(=O)CSCCC(=O)C 62a_100000211628_100000053229 [0,2,0,0,0,0|0,0,1]=3 10393 B13R0.188 CCCCOC(=O)CSCCC(=O)N 62a_100000211628_100000744528 [0,2,0,0,0,0|1,0,1]=4 10394 B13R0.188 CCCCOC(=O)CSCCC(=O)N 62a_100000744528_100000211628 [0,2,0,0,0,0|1,0,1]=4 10395 B13R0.188 CCCCOC(=O)CSCCC(C)C 62a_100000210312_100000211628 [0,2,0,0,0,0|0,0,0]=2 10396 B13R0.188 CCCCOC(=O)CSCCC(C)C 62a_100000211628_100000210312 [0,2,0,0,0,0|0,0,0]=2 10397 B13R0.188 CCCCOC(=O)CSCCC(C)O 62a_100000211628_100012276601 [0,2,0,0,0,0|0,0,0]=2 10398 B13R0.188 CCCCOC(=O)CSCCC(C)O 62a_100012276601_100000211628 [0,2,0,0,0,0|0,0,0]=2 10399 B13R0.188 CCCCOC(=O)CSCCN(C)C 62a_100000211628_100000755713 [0,2,0,0,0,0|1,0,0]=3 10400 B13R0.188 CCCCOC(=O)CSCOC(=O)C 62a_100000076356_100000211628 [0,2,0,0,0,0|1,0,1]=4 10401 B13R0.188 CCCCOC(=O)CSCOC(=O)C 62a_100000211628_100000076356 [0,2,0,0,0,0|1,0,1]=4 10402 B13R0.188 CCCCOC(=O)CSCOC(C)C 62a_100000211628_100000709892 [0,2,0,0,0,0|1,0,0]=3 10403 B13R0.188 CCCCOC(=O)CSCOC(C)C 62a_100000709892_100000211628 [0,2,0,0,0,0|1,0,0]=3 10404 B13R0.188 CCCNNC(=O)CCCCC(C)C 22a_100000740057_100011933920 [0,2,0,0,0,0|2,0,0]=4 10405 B13R0.188 CCCNNC(=O)CCCCN(C)C 22a_100000740057_100000751710 [0,2,0,0,0,0|2,0,0]=4 10406 B13R0.188 CCCNNC(=O)NCCCC(C)C 273464a_200000737386_100000740057 [0,2,0,0,0,0|2,0,0]=4 10407 B13R0.188 CCCNNC(=O)NCCCC(C)C 512a_100000740057_200000737386 [0,2,0,0,0,0|2,0,0]=4 10408 B13R0.188 CCCNNC(=O)NCCCC(C)C 512a_200000737386_100000740057 [0,2,0,0,0,0|2,0,0]=4 10409 B13R0.188 CCCOCC(=O)CCCCC(=O)C 1458a_100000745993_100000735457 [0,2,0,0,0,0|2,0,0]=4 10410 B13R0.188 CCCOCC(=O)CCCCC(C)C 1458a_100000745993_100011216152 [0,2,0,0,0,0|2,0,0]=4 10411 B13R0.188 CCCOCC(=O)NCCCC(C)C 11a_200000737386_100000745993 [0,2,0,0,0,0|2,0,0]=4 10412 B13R0.188 CCCOCC(=O)NCCCC(C)C 1626a_200000737386_100000745993 [0,2,0,0,0,0|2,0,0]=4 10413 B13R0.188 CCCOCC(=O)NCCCC(C)C 240690a_200000737386_100000745993 [0,2,0,0,0,0|2,0,0]=4 10414 B13R0.188 CCCOCC(=O)NCCCC(C)C 527a_200000737386_100000745993 [0,2,0,0,0,0|2,0,0]=4 10415 B13R0.188 CCCOCC(=O)NCCCN(C)C 240690a_102531767803_100000745993 [0,2,0,0,0,0|2,0,0]=4 10416 B13R0.188 CCCOCC(=O)NCCCN(C)C 527a_102531767803_100000745993 [0,2,0,0,0,0|2,0,0]=4 10417 B13R0.188 CCCOCC(=O)NCCCS(=O)C 11a_200000753449_100000745993 [0,2,0,0,0,0|2,0,0]=4 10418 B13R0.188 CCCOCC(=O)NCCCS(=O)C 240690a_200000753449_100000745993 [0,2,0,0,0,0|2,0,0]=4 10419 B13R0.188 CCCOCC(=O)NCCCS(=O)C 527a_200000753449_100000745993 [0,2,0,0,0,0|2,0,0]=4 10420 B13R0.188 CCCOCC(=O)NCCOC(C)C 11a_100000701111_100000745993 [0,2,0,0,0,0|2,0,0]=4 10421 B13R0.188 CCCOCC(=O)NCCOC(C)C 1626a_100000701111_100000745993 [0,2,0,0,0,0|2,0,0]=4 10422 B13R0.188 CCCOCC(=O)NCCOC(C)C 240690a_100000701111_100000745993 [0,2,0,0,0,0|2,0,0]=4 10423 B13R0.188 CCCOCC(=O)NCCOC(C)C 527a_100000701111_100000745993 [0,2,0,0,0,0|2,0,0]=4 10424 B13R0.188 CCCOCC(=O)NCCSC(C)C 11a_100000731138_100000745993 [0,2,0,0,0,0|2,0,0]=4 10425 B13R0.188 CCCOCC(=O)NCCSC(C)C 1626a_100000731138_100000745993 [0,2,0,0,0,0|2,0,0]=4 10426 B13R0.188 CCCOCC(=O)NCCSC(C)C 240690a_100000731138_100000745993 [0,2,0,0,0,0|2,0,0]=4 10427 B13R0.188 CCCOCC(=O)NCCSC(C)C 527a_100000731138_100000745993 [0,2,0,0,0,0|2,0,0]=4 10428 B13R0.188 CCCSCC(=O)CCCCC(=O)C 1458a_100000217233_100000735457 [0,2,0,0,0,0|2,0,0]=4 10429 B13R0.188 CCCSCC(=O)CCCCC(C)C 1458a_100000217233_100011216152 [0,2,0,0,0,0|2,0,0]=4 10430 B13R0.188 CCCSCC(=O)NCCCC(C)C 11a_200000737386_100000217233 [0,2,0,0,0,0|2,0,0]=4 10431 B13R0.188 CCCSCC(=O)NCCCC(C)C 1626a_200000737386_100000217233 [0,2,0,0,0,0|2,0,0]=4 10432 B13R0.188 CCCSCC(=O)NCCCC(C)C 240690a_200000737386_100000217233 [0,2,0,0,0,0|2,0,0]=4 10433 B13R0.188 CCCSCC(=O)NCCCC(C)C 527a_200000737386_100000217233 [0,2,0,0,0,0|2,0,0]=4 10434 B13R0.188 CCCSCC(=O)NCCCN(C)C 240690a_102531767803_100000217233 [0,2,0,0,0,0|2,0,0]=4 10435 B13R0.188 CCCSCC(=O)NCCCN(C)C 527a_102531767803_100000217233 [0,2,0,0,0,0|2,0,0]=4 10436 B13R0.188 CCCSCC(=O)NCCCS(=O)C 11a_200000753449_100000217233 [0,2,0,0,0,0|2,0,0]=4 10437 B13R0.188 CCCSCC(=O)NCCCS(=O)C 240690a_200000753449_100000217233 [0,2,0,0,0,0|2,0,0]=4 10438 B13R0.188 CCCSCC(=O)NCCCS(=O)C 527a_200000753449_100000217233 [0,2,0,0,0,0|2,0,0]=4 10439 B13R0.188 CCCSCC(=O)NCCOC(C)C 11a_100000701111_100000217233 [0,2,0,0,0,0|2,0,0]=4 10440 B13R0.188 CCCSCC(=O)NCCOC(C)C 1626a_100000701111_100000217233 [0,2,0,0,0,0|2,0,0]=4 10441 B13R0.188 CCCSCC(=O)NCCOC(C)C 240690a_100000701111_100000217233 [0,2,0,0,0,0|2,0,0]=4 10442 B13R0.188 CCCSCC(=O)NCCOC(C)C 527a_100000701111_100000217233 [0,2,0,0,0,0|2,0,0]=4 10443 B13R0.188 CCCSCC(=O)NCCSC(C)C 11a_100000731138_100000217233 [0,2,0,0,0,0|2,0,0]=4 10444 B13R0.188 CCCSCC(=O)NCCSC(C)C 1626a_100000731138_100000217233 [0,2,0,0,0,0|2,0,0]=4 10445 B13R0.188 CCCSCC(=O)NCCSC(C)C 240690a_100000731138_100000217233 [0,2,0,0,0,0|2,0,0]=4 10446 B13R0.188 CCCSCC(=O)NCCSC(C)C 527a_100000731138_100000217233 [0,2,0,0,0,0|2,0,0]=4 10447 B13R0.188 CCOCCC(=O)CCCCC(=O)C 1458a_100000749530_100000735457 [0,2,0,0,0,0|2,0,0]=4 10448 B13R0.188 CCOCCC(=O)CCCCC(C)C 1458a_100000749530_100011216152 [0,2,0,0,0,0|2,0,0]=4 10449 B13R0.188 CCOCCC(=O)CCCCC(C)C 1458a_100011933920_100011215890 [0,2,0,0,0,0|2,0,0]=4 10450 B13R0.188 CCOCCC(=O)NCCCC(C)C 11a_200000737386_100000749530 [0,2,0,0,0,0|2,0,0]=4 10451 B13R0.188 CCOCCC(=O)NCCCC(C)C 1626a_200000737386_100000749530 [0,2,0,0,0,0|2,0,0]=4 10452 B13R0.188 CCOCCC(=O)NCCCC(C)C 240690a_200000737386_100000749530 [0,2,0,0,0,0|2,0,0]=4 10453 B13R0.188 CCOCCC(=O)NCCCC(C)C 527a_200000737386_100000749530 [0,2,0,0,0,0|2,0,0]=4 10454 B13R0.188 CCOCCC(=O)NCCCN(C)C 240690a_102531767803_100000749530 [0,2,0,0,0,0|2,0,0]=4 10455 B13R0.188 CCOCCC(=O)NCCCN(C)C 527a_102531767803_100000749530 [0,2,0,0,0,0|2,0,0]=4 10456 B13R0.188 CCOCCC(=O)NCCCS(=O)C 11a_200000753449_100000749530 [0,2,0,0,0,0|2,0,0]=4 10457 B13R0.188 CCOCCC(=O)NCCCS(=O)C 240690a_200000753449_100000749530 [0,2,0,0,0,0|2,0,0]=4 10458 B13R0.188 CCOCCC(=O)NCCCS(=O)C 527a_200000753449_100000749530 [0,2,0,0,0,0|2,0,0]=4 10459 B13R0.188 CCOCCC(=O)NCCOC(C)C 11a_100000701111_100000749530 [0,2,0,0,0,0|2,0,0]=4 10460 B13R0.188 CCOCCC(=O)NCCOC(C)C 1626a_100000701111_100000749530 [0,2,0,0,0,0|2,0,0]=4 10461 B13R0.188 CCOCCC(=O)NCCOC(C)C 240690a_100000701111_100000749530 [0,2,0,0,0,0|2,0,0]=4 10462 B13R0.188 CCOCCC(=O)NCCOC(C)C 527a_100000701111_100000749530 [0,2,0,0,0,0|2,0,0]=4 10463 B13R0.188 CCOCCC(=O)NCCSC(C)C 11a_100000731138_100000749530 [0,2,0,0,0,0|2,0,0]=4 10464 B13R0.188 CCOCCC(=O)NCCSC(C)C 1626a_100000731138_100000749530 [0,2,0,0,0,0|2,0,0]=4 10465 B13R0.188 CCOCCC(=O)NCCSC(C)C 240690a_100000731138_100000749530 [0,2,0,0,0,0|2,0,0]=4 10466 B13R0.188 CCOCCC(=O)NCCSC(C)C 527a_100000731138_100000749530 [0,2,0,0,0,0|2,0,0]=4 10467 B13R0.188 CCSCCC(=O)CCCCC(=O)C 1458a_100000230768_100000735457 [0,2,0,0,0,0|2,0,0]=4 10468 B13R0.188 CCSCCC(=O)CCCCC(C)C 1458a_100000230768_100011216152 [0,2,0,0,0,0|2,0,0]=4 10469 B13R0.188 CCSCCC(=O)CCCCC(C)C 1458a_100011933920_100000757381 [0,2,0,0,0,0|2,0,0]=4 10470 B13R0.188 CCSCCC(=O)NCCCC(C)C 11a_200000737386_100000230768 [0,2,0,0,0,0|2,0,0]=4 10471 B13R0.188 CCSCCC(=O)NCCCC(C)C 1626a_200000737386_100000230768 [0,2,0,0,0,0|2,0,0]=4 10472 B13R0.188 CCSCCC(=O)NCCCC(C)C 240690a_200000737386_100000230768 [0,2,0,0,0,0|2,0,0]=4 10473 B13R0.188 CCSCCC(=O)NCCCC(C)C 527a_200000737386_100000230768 [0,2,0,0,0,0|2,0,0]=4 10474 B13R0.188 CCSCCC(=O)NCCCN(C)C 240690a_102531767803_100000230768 [0,2,0,0,0,0|2,0,0]=4 10475 B13R0.188 CCSCCC(=O)NCCCN(C)C 527a_102531767803_100000230768 [0,2,0,0,0,0|2,0,0]=4 10476 B13R0.188 CCSCCC(=O)NCCCS(=O)C 11a_200000753449_100000230768 [0,2,0,0,0,0|2,0,0]=4 10477 B13R0.188 CCSCCC(=O)NCCCS(=O)C 240690a_200000753449_100000230768 [0,2,0,0,0,0|2,0,0]=4 10478 B13R0.188 CCSCCC(=O)NCCCS(=O)C 527a_200000753449_100000230768 [0,2,0,0,0,0|2,0,0]=4 10479 B13R0.188 CCSCCC(=O)NCCOC(C)C 11a_100000701111_100000230768 [0,2,0,0,0,0|2,0,0]=4 10480 B13R0.188 CCSCCC(=O)NCCOC(C)C 1626a_100000701111_100000230768 [0,2,0,0,0,0|2,0,0]=4 10481 B13R0.188 CCSCCC(=O)NCCOC(C)C 240690a_100000701111_100000230768 [0,2,0,0,0,0|2,0,0]=4 10482 B13R0.188 CCSCCC(=O)NCCOC(C)C 527a_100000701111_100000230768 [0,2,0,0,0,0|2,0,0]=4 10483 B13R0.188 CCSCCC(=O)NCCSC(C)C 11a_100000731138_100000230768 [0,2,0,0,0,0|2,0,0]=4 10484 B13R0.188 CCSCCC(=O)NCCSC(C)C 1626a_100000731138_100000230768 [0,2,0,0,0,0|2,0,0]=4 10485 B13R0.188 CCSCCC(=O)NCCSC(C)C 240690a_100000731138_100000230768 [0,2,0,0,0,0|2,0,0]=4 10486 B13R0.188 CCSCCC(=O)NCCSC(C)C 527a_100000731138_100000230768 [0,2,0,0,0,0|2,0,0]=4 10487 B13R0.188 CN(C)CCCCC(=O)NCCCF 11a_100015189416_100000751710 [0,2,0,0,0,0|2,0,0]=4 10488 B13R0.188 CN(C)CCCCC(=O)NCCCF 240690a_100015189416_100000751710 [0,2,0,0,0,0|2,0,0]=4 10489 B13R0.188 CN(C)CCCCC(=O)NCCCF 527a_100015189416_100000751710 [0,2,0,0,0,0|2,0,0]=4 10490 B13R0.188 CN(C)CCCCC(=O)NCCCO 240690a_100000182051_100000751710 [0,2,0,0,0,0|2,0,0]=4 10491 B13R0.188 CN(C)CCCCC(=O)NCCCO 527a_100000182051_100000751710 [0,2,0,0,0,0|2,0,0]=4 10492 B13R0.188 COCCCC(=O)CCCCC(=O)C 1458a_100000741012_100000735457 [0,2,0,0,0,0|2,0,0]=4 10493 B13R0.188 COCCCC(=O)CCCCC(C)C 1458a_100000741012_100011216152 [0,2,0,0,0,0|2,0,0]=4 10494 B13R0.188 COCCCC(=O)CCCCC(C)C 1458a_100011933920_100000740836 [0,2,0,0,0,0|2,0,0]=4 10495 B13R0.188 COCCCC(=O)NCCCC(C)C 11a_200000737386_100000741012 [0,2,0,0,0,0|2,0,0]=4 10496 B13R0.188 COCCCC(=O)NCCCC(C)C 1626a_200000737386_100000741012 [0,2,0,0,0,0|2,0,0]=4 10497 B13R0.188 COCCCC(=O)NCCCC(C)C 240690a_200000737386_100000741012 [0,2,0,0,0,0|2,0,0]=4 10498 B13R0.188 COCCCC(=O)NCCCC(C)C 527a_200000737386_100000741012 [0,2,0,0,0,0|2,0,0]=4 10499 B13R0.188 COCCCC(=O)NCCCN(C)C 240690a_102531767803_100000741012 [0,2,0,0,0,0|2,0,0]=4 10500 B13R0.188 COCCCC(=O)NCCCN(C)C 527a_102531767803_100000741012 [0,2,0,0,0,0|2,0,0]=4 10501 B13R0.188 COCCCC(=O)NCCCS(=O)C 11a_200000753449_100000741012 [0,2,0,0,0,0|2,0,0]=4 10502 B13R0.188 COCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000741012 [0,2,0,0,0,0|2,0,0]=4 10503 B13R0.188 COCCCC(=O)NCCCS(=O)C 527a_200000753449_100000741012 [0,2,0,0,0,0|2,0,0]=4 10504 B13R0.188 COCCCC(=O)NCCOC(C)C 11a_100000701111_100000741012 [0,2,0,0,0,0|2,0,0]=4 10505 B13R0.188 COCCCC(=O)NCCOC(C)C 1626a_100000701111_100000741012 [0,2,0,0,0,0|2,0,0]=4 10506 B13R0.188 COCCCC(=O)NCCOC(C)C 240690a_100000701111_100000741012 [0,2,0,0,0,0|2,0,0]=4 10507 B13R0.188 COCCCC(=O)NCCOC(C)C 527a_100000701111_100000741012 [0,2,0,0,0,0|2,0,0]=4 10508 B13R0.188 COCCCC(=O)NCCSC(C)C 11a_100000731138_100000741012 [0,2,0,0,0,0|2,0,0]=4 10509 B13R0.188 COCCCC(=O)NCCSC(C)C 1626a_100000731138_100000741012 [0,2,0,0,0,0|2,0,0]=4 10510 B13R0.188 COCCCC(=O)NCCSC(C)C 240690a_100000731138_100000741012 [0,2,0,0,0,0|2,0,0]=4 10511 B13R0.188 COCCCC(=O)NCCSC(C)C 527a_100000731138_100000741012 [0,2,0,0,0,0|2,0,0]=4 10512 B13R0.188 COCCNC(=O)CCCCC(C)C 1626a_100000209980_100011933920 [0,2,0,0,0,0|2,0,0]=4 10513 B13R0.188 COCCNC(=O)CCCCC(C)C 240690a_100000209980_100011933920 [0,2,0,0,0,0|2,0,0]=4 10514 B13R0.188 COCCNC(=O)CCCCC(C)C 527a_100000209980_100011933920 [0,2,0,0,0,0|2,0,0]=4 10515 B13R0.188 COCCNC(=O)CCCCN(C)C 240690a_100000209980_100000751710 [0,2,0,0,0,0|2,0,0]=4 10516 B13R0.188 COCCNC(=O)CCCCN(C)C 527a_100000209980_100000751710 [0,2,0,0,0,0|2,0,0]=4 10517 B13R0.188 COCCNC(=O)CNCCC(C)C 2230a_100000754632_100000210312 [0,2,0,0,0,0|2,0,0]=4 10518 B13R0.188 COCCNC(=O)CNCCC(C)O 2230a_100000754632_100012276601 [0,2,0,0,0,0|2,0,0]=4 10519 B13R0.188 COCCNC(=O)CNCCC(C)O 2230a_200000755665_100000183275 [0,2,0,0,0,0|2,0,0]=4 10520 B13R0.188 COCCNC(=O)COCCC(C)Br 34a_100009893172_100000183275 [0,2,0,0,0,0|2,0,0]=4 10521 B13R0.188 COCCNC(=O)COCCC(C)C 34a_100000210254_100000183275 [0,2,0,0,0,0|2,0,0]=4 10522 B13R0.188 COCCNC(=O)COCCC(C)C 7a_100000210254_100000183275 [0,2,0,0,0,0|2,0,0]=4 10523 B13R0.188 COCCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183275 [0,2,0,0,0,0|2,0,0]=4 10524 B13R0.188 COCCNC(=O)CSCCC(C)C 62a_100000183275_100000210312 [0,2,0,0,0,0|2,0,0]=4 10525 B13R0.188 COCCNC(=O)CSCCC(C)C 62a_100000210312_100000183275 [0,2,0,0,0,0|2,0,0]=4 10526 B13R0.188 COCCNC(=O)CSCCC(C)O 62a_100000183275_100012276601 [0,2,0,0,0,0|2,0,0]=4 10527 B13R0.188 COCCNC(=O)CSCCC(C)O 62a_100012276601_100000183275 [0,2,0,0,0,0|2,0,0]=4 10528 B13R0.188 COCCNC(=O)NCCCC(C)C 2708a_200000737386_100000209980 [0,2,0,0,0,0|2,0,0]=4 10529 B13R0.188 COCCNC(=O)NCCCC(C)C 273464a_100000209980_200000737386 [0,2,0,0,0,0|2,0,0]=4 10530 B13R0.188 COCCNC(=O)NCCCC(C)C 273464a_200000737386_100000209980 [0,2,0,0,0,0|2,0,0]=4 10531 B13R0.188 COCCOC(=O)CNCCC(C)O 2230a_200000755665_200000040189 [0,2,0,0,0,0|1,0,0]=3 10532 B13R0.188 COCCOC(=O)COCCC(=O)C 34a_100000759926_200000040189 [0,2,0,0,0,0|1,0,1]=4 10533 B13R0.188 COCCOC(=O)COCCC(=O)C 7a_100000759926_200000040189 [0,2,0,0,0,0|1,0,1]=4 10534 B13R0.188 COCCOC(=O)COCCC(C)Br 34a_100009893172_200000040189 [0,2,0,0,0,0|1,0,0]=3 10535 B13R0.188 COCCOC(=O)COCCC(C)C 34a_100000210254_200000040189 [0,2,0,0,0,0|1,0,0]=3 10536 B13R0.188 COCCOC(=O)COCCC(C)C 7a_100000210254_200000040189 [0,2,0,0,0,0|1,0,0]=3 10537 B13R0.188 COCCOC(=O)COCCC(F)F 34a_100103093639_200000040189 [0,2,0,0,0,0|2,0,0]=4 10538 B13R0.188 COCCOC(=O)COCC[C@@H](C)N 34a_100000706166_200000040189 [0,2,0,0,0,0|1,0,0]=3 10539 B13R0.188 COCCOC(=O)CSCCC(=O)C 62a_100000053229_200000040189 [0,2,0,0,0,0|1,0,1]=4 10540 B13R0.188 COCCOC(=O)CSCCC(=O)C 62a_200000040189_100000053229 [0,2,0,0,0,0|1,0,1]=4 10541 B13R0.188 COCCOC(=O)CSCCC(C)C 62a_100000210312_200000040189 [0,2,0,0,0,0|1,0,0]=3 10542 B13R0.188 COCCOC(=O)CSCCC(C)C 62a_200000040189_100000210312 [0,2,0,0,0,0|1,0,0]=3 10543 B13R0.188 COCCOC(=O)CSCCC(C)O 62a_100012276601_200000040189 [0,2,0,0,0,0|1,0,0]=3 10544 B13R0.188 COCCOC(=O)CSCCC(C)O 62a_200000040189_100012276601 [0,2,0,0,0,0|1,0,0]=3 10545 B13R0.188 COCCOC(=O)CSCCN(C)C 62a_200000040189_100000755713 [0,2,0,0,0,0|2,0,0]=4 10546 B13R0.188 COCCOC(=O)CSCOC(C)C 62a_100000709892_200000040189 [0,2,0,0,0,0|2,0,0]=4 10547 B13R0.188 COCCOC(=O)CSCOC(C)C 62a_200000040189_100000709892 [0,2,0,0,0,0|2,0,0]=4 10548 B13R0.188 CSCCCC(=O)CCCCC(=O)C 1458a_100000173376_100000735457 [0,2,0,0,0,0|2,0,0]=4 10549 B13R0.188 CSCCCC(=O)CCCCC(C)C 1458a_100000173376_100011216152 [0,2,0,0,0,0|2,0,0]=4 10550 B13R0.188 CSCCCC(=O)NCCCC(C)C 11a_200000737386_100000173376 [0,2,0,0,0,0|2,0,0]=4 10551 B13R0.188 CSCCCC(=O)NCCCC(C)C 1626a_200000737386_100000173376 [0,2,0,0,0,0|2,0,0]=4 10552 B13R0.188 CSCCCC(=O)NCCCC(C)C 240690a_200000737386_100000173376 [0,2,0,0,0,0|2,0,0]=4 10553 B13R0.188 CSCCCC(=O)NCCCC(C)C 527a_200000737386_100000173376 [0,2,0,0,0,0|2,0,0]=4 10554 B13R0.188 CSCCCC(=O)NCCCN(C)C 240690a_102531767803_100000173376 [0,2,0,0,0,0|2,0,0]=4 10555 B13R0.188 CSCCCC(=O)NCCCN(C)C 527a_102531767803_100000173376 [0,2,0,0,0,0|2,0,0]=4 10556 B13R0.188 CSCCCC(=O)NCCCS(=O)C 11a_200000753449_100000173376 [0,2,0,0,0,0|2,0,0]=4 10557 B13R0.188 CSCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000173376 [0,2,0,0,0,0|2,0,0]=4 10558 B13R0.188 CSCCCC(=O)NCCCS(=O)C 527a_200000753449_100000173376 [0,2,0,0,0,0|2,0,0]=4 10559 B13R0.188 CSCCCC(=O)NCCOC(C)C 11a_100000701111_100000173376 [0,2,0,0,0,0|2,0,0]=4 10560 B13R0.188 CSCCCC(=O)NCCOC(C)C 1626a_100000701111_100000173376 [0,2,0,0,0,0|2,0,0]=4 10561 B13R0.188 CSCCCC(=O)NCCOC(C)C 240690a_100000701111_100000173376 [0,2,0,0,0,0|2,0,0]=4 10562 B13R0.188 CSCCCC(=O)NCCOC(C)C 527a_100000701111_100000173376 [0,2,0,0,0,0|2,0,0]=4 10563 B13R0.188 CSCCCC(=O)NCCSC(C)C 11a_100000731138_100000173376 [0,2,0,0,0,0|2,0,0]=4 10564 B13R0.188 CSCCCC(=O)NCCSC(C)C 1626a_100000731138_100000173376 [0,2,0,0,0,0|2,0,0]=4 10565 B13R0.188 CSCCCC(=O)NCCSC(C)C 240690a_100000731138_100000173376 [0,2,0,0,0,0|2,0,0]=4 10566 B13R0.188 CSCCCC(=O)NCCSC(C)C 527a_100000731138_100000173376 [0,2,0,0,0,0|2,0,0]=4 10567 B13R0.188 CSCCNC(=O)CCCCC(C)C 11a_100020590264_100011933920 [0,2,0,0,0,0|2,0,0]=4 10568 B13R0.188 CSCCNC(=O)CCCCC(C)C 1626a_100020590264_100011933920 [0,2,0,0,0,0|2,0,0]=4 10569 B13R0.188 CSCCNC(=O)CCCCC(C)C 240690a_100020590264_100011933920 [0,2,0,0,0,0|2,0,0]=4 10570 B13R0.188 CSCCNC(=O)CCCCC(C)C 527a_100020590264_100011933920 [0,2,0,0,0,0|2,0,0]=4 10571 B13R0.188 CSCCNC(=O)CCCCN(C)C 11a_100020590264_100000751710 [0,2,0,0,0,0|2,0,0]=4 10572 B13R0.188 CSCCNC(=O)CCCCN(C)C 240690a_100020590264_100000751710 [0,2,0,0,0,0|2,0,0]=4 10573 B13R0.188 CSCCNC(=O)CCCCN(C)C 527a_100020590264_100000751710 [0,2,0,0,0,0|2,0,0]=4 10574 B13R0.188 CSCCNC(=O)NCCCC(C)C 2708a_100020590264_200000737386 [0,2,0,0,0,0|2,0,0]=4 10575 B13R0.188 CSCCNC(=O)NCCCC(C)C 2708a_200000737386_100020590264 [0,2,0,0,0,0|2,0,0]=4 10576 B13R0.188 CSCCNC(=O)NCCCC(C)C 273464a_100020590264_200000737386 [0,2,0,0,0,0|2,0,0]=4 10577 B13R0.188 CSCCNC(=O)NCCCC(C)C 273464a_200000737386_100020590264 [0,2,0,0,0,0|2,0,0]=4 10578 B13R0.188 CSCCNC(=O)NCCCC(C)C 512a_100020590264_200000737386 [0,2,0,0,0,0|2,0,0]=4 10579 B13R0.188 CSCCNC(=O)NCCCC(C)C 512a_200000737386_100020590264 [0,2,0,0,0,0|2,0,0]=4 10580 B13R0.193 C#CCC(C)OCC(=O)CCCCC 34a_100000685586_200012276598 [0,2,0,0,0,0|0,0,2]=4 10581 B13R0.193 C#CCC(C)OCC(=O)CCCCC 7a_100000685586_200012276598 [0,2,0,0,0,0|0,0,2]=4 10582 B13R0.193 C#CCC(C)OCC(=O)OCCCC 34a_100000685586_100000211628 [0,2,0,0,0,0|0,0,2]=4 10583 B13R0.193 C#CCC(C)OCC(=O)OCCCC 7a_100000685586_100000211628 [0,2,0,0,0,0|0,0,2]=4 10584 B13R0.193 C/C=C/C(C)OCC(=O)CCCCC 34a_200102604097_200012276598 [0,2,0,0,0,0|0,0,2]=4 10585 B13R0.193 C/C=C/C(C)OCC(=O)OCCCC 34a_200102604097_100000211628 [0,2,0,0,0,0|0,0,2]=4 10586 B13R0.193 C=CC[C@@H](C)OCC(=O)CCCCC 34a_100000731007_200012276598 [0,2,0,0,0,0|0,0,2]=4 10587 B13R0.193 C=CC[C@@H](C)OCC(=O)CCCCC 7a_100000731007_200012276598 [0,2,0,0,0,0|0,0,2]=4 10588 B13R0.193 C=CC[C@@H](C)OCC(=O)OCCCC 34a_100000731007_100000211628 [0,2,0,0,0,0|0,0,2]=4 10589 B13R0.193 C=CC[C@@H](C)OCC(=O)OCCCC 7a_100000731007_100000211628 [0,2,0,0,0,0|0,0,2]=4 10590 B13R0.193 CC#CC(C)OCC(=O)CCCCC 34a_100011216543_200012276598 [0,2,0,0,0,0|0,0,2]=4 10591 B13R0.193 CC#CC(C)OCC(=O)OCCCC 34a_100011216543_100000211628 [0,2,0,0,0,0|0,0,2]=4 10592 B13R0.193 CCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210303 [0,2,0,0,0,0|1,0,1]=4 10593 B13R0.193 CCCC(=O)OCC(=O)CCCCO 1458a_100000695505_100000034017 [0,2,0,0,0,0|1,0,1]=4 10594 B13R0.193 CCCC(=O)OCC(=O)CCCOC 1458a_100000741012_100000034017 [0,2,0,0,0,0|1,0,1]=4 10595 B13R0.193 CCCC(=O)OCC(=O)CCCSC 1458a_100000173376_100000034017 [0,2,0,0,0,0|1,0,1]=4 10596 B13R0.193 CCCC(=O)OCC(=O)CCOCC 1458a_100000749530_100000034017 [0,2,0,0,0,0|1,0,1]=4 10597 B13R0.193 CCCC(=O)OCC(=O)CCSCC 1458a_100000230768_100000034017 [0,2,0,0,0,0|1,0,1]=4 10598 B13R0.193 CCCC(C)NCC(=O)NCCOC 2230a_100000741246_100000183275 [0,2,0,0,0,0|2,0,0]=4 10599 B13R0.193 CCCC(C)NCC(=O)NCCOC 2230a_100000754632_100000766640 [0,2,0,0,0,0|2,0,0]=4 10600 B13R0.193 CCCC(C)NCC(=O)OCCOC 2230a_100000741246_200000040189 [0,2,0,0,0,0|1,0,0]=3 10601 B13R0.193 CCCC(C)OCC(=O)NCCOC 34a_100000764384_100000183275 [0,2,0,0,0,0|2,0,0]=4 10602 B13R0.193 CCCC(C)OCC(=O)NCCOC 7a_100000764384_100000183275 [0,2,0,0,0,0|2,0,0]=4 10603 B13R0.193 CCCC(C)OCC(=O)OCCOC 34a_100000764384_200000040189 [0,2,0,0,0,0|1,0,0]=3 10604 B13R0.193 CCCC(C)OCC(=O)OCCOC 7a_100000764384_200000040189 [0,2,0,0,0,0|1,0,0]=3 10605 B13R0.193 CCCC(C)SCC(=O)NCCOC 62a_100000183275_100000766640 [0,2,0,0,0,0|2,0,0]=4 10606 B13R0.193 CCCC(C)SCC(=O)NCCOC 62a_100000766640_100000183275 [0,2,0,0,0,0|2,0,0]=4 10607 B13R0.193 CCCC(C)SCC(=O)OCCOC 62a_100000766640_200000040189 [0,2,0,0,0,0|1,0,0]=3 10608 B13R0.193 CCCC(C)SCC(=O)OCCOC 62a_200000040189_100000766640 [0,2,0,0,0,0|1,0,0]=3 10609 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [0,2,0,0,0,0|1,0,1]=4 10610 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [0,2,0,0,0,0|1,0,1]=4 10611 B13R0.193 CCCCCC(=O)CNC(C)CCC 2230a_100000741246_200012276598 [0,2,0,0,0,0|1,0,0]=3 10612 B13R0.193 CCCCCC(=O)CN[C@H](C)CCO 2230a_100000706166_200012276598 [0,2,0,0,0,0|2,0,0]=4 10613 B13R0.193 CCCCCC(=O)CN[C@H](C)CCO 34a_100000706166_200012276598 [0,2,0,0,0,0|2,0,0]=4 10614 B13R0.193 CCCCCC(=O)CN[C@H](C)COC 2230a_100000764878_200012276598 [0,2,0,0,0,0|2,0,0]=4 10615 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [0,2,0,0,0,0|0,0,1]=3 10616 B13R0.193 CCCCCC(=O)COC(C)CCBr 34a_100012276601_200012276598 [0,2,0,0,0,0|1,0,0]=3 10617 B13R0.193 CCCCCC(=O)COC(C)CCC 34a_100000764384_200012276598 [0,2,0,0,0,0|0,0,0]=2 10618 B13R0.193 CCCCCC(=O)COC(C)CCC 7a_100000764384_200012276598 [0,2,0,0,0,0|0,0,0]=2 10619 B13R0.193 CCCCCC(=O)CO[C@H](C)COC 34a_100011934205_200012276598 [0,2,0,0,0,0|1,0,0]=3 10620 B13R0.193 CCCCCC(=O)CSC(C)CCC 62a_100000766640_200012276598 [0,2,0,0,0,0|0,1,0]=3 10621 B13R0.193 CCCCCC(=O)CSC(C)CCC 62a_200012276598_100000766640 [0,2,0,0,0,0|0,1,0]=3 10622 B13R0.193 CCCCCC(=O)CSC(C)CCO 62a_100009893172_200012276598 [0,2,0,0,0,0|1,1,0]=4 10623 B13R0.193 CCCCCC(=O)CSC(C)CCO 62a_200012276598_100009893172 [0,2,0,0,0,0|1,1,0]=4 10624 B13R0.193 CCCCCC(=O)CSC(C)COC 62a_100000765312_200012276598 [0,2,0,0,0,0|1,1,0]=4 10625 B13R0.193 CCCCCC(=O)CSC(C)COC 62a_200012276598_100000765312 [0,2,0,0,0,0|1,1,0]=4 10626 B13R0.193 CCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 10627 B13R0.193 CCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 10628 B13R0.193 CCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 10629 B13R0.193 CCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 10630 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [0,2,0,0,0,0|1,0,1]=4 10631 B13R0.193 CCCCCC(=O)NCC(O)COC 240690a_100000756049_100000212188 [0,2,0,0,0,0|1,0,0]=3 10632 B13R0.193 CCCCCC(=O)NCC(O)COC 527a_100000756049_100000212188 [0,2,0,0,0,0|1,0,0]=3 10633 B13R0.193 CCCCCC(=O)NN=C(C)CCC 4a_100000189784_100000211909 [0,2,0,0,0,0|1,0,1]=4 10634 B13R0.193 CCCCCC(=O)NNC(=O)CCC 22a_100000189770_100000212188 [0,2,0,0,0,0|1,0,1]=4 10635 B13R0.193 CCCCCC(=O)NNC(=O)CCC 22a_100000189784_100000211992 [0,2,0,0,0,0|1,0,1]=4 10636 B13R0.193 CCCCCC(C)OCC(=O)CCC 7a_100011215632_100000747444 [0,2,0,0,0,0|1,0,1]=4 10637 B13R0.193 CCCCCC(C)OCC(C)CCC 34a_100000688023_200011218191 [0,2,0,0,0,0|1,0,1]=4 10638 B13R0.193 CCCCCC(C)OCC(C)CCC 34a_100011215632_100011216630 [0,2,0,0,0,0|1,0,1]=4 10639 B13R0.193 CCCCCC(C)OCC(C)CCC 7a_100000688023_200011218191 [0,2,0,0,0,0|1,0,1]=4 10640 B13R0.193 CCCCCC(C)OCC(C)CCC 7a_100011215632_100011216630 [0,2,0,0,0,0|1,0,1]=4 10641 B13R0.193 CCCCCC(C)OCC(C)CCN 34a_106354213184_200011218191 [0,2,0,0,0,0|1,0,1]=4 10642 B13R0.193 CCCCCC(C)OCC(N)COC 34a_100000724102_200011218191 [0,2,0,0,0,0|1,0,1]=4 10643 B13R0.193 CCCCCC(C)OCC(O)COC 34a_100011215632_100011215053 [0,2,0,0,0,0|1,0,1]=4 10644 B13R0.193 CCCCCC(C)OCC(O)COC 7a_100011215632_100011215053 [0,2,0,0,0,0|1,0,1]=4 10645 B13R0.193 CCCCCC(C)OC[C@@H](N)CCC 34a_100000732646_200011218191 [0,2,0,0,0,0|1,0,1]=4 10646 B13R0.193 CCCCNC(=O)CCC(=O)NCC 11a_100000102301_100000199579 [0,2,0,0,0,0|1,0,1]=4 10647 B13R0.193 CCCCNC(=O)CCC(=O)NCC 1626a_100000102301_100000199579 [0,2,0,0,0,0|1,0,1]=4 10648 B13R0.193 CCCCNC(=O)CCC(=O)NCC 240690a_100000102301_100000199579 [0,2,0,0,0,0|1,0,1]=4 10649 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [0,2,0,0,0,0|1,0,1]=4 10650 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [0,2,0,0,0,0|1,0,1]=4 10651 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [0,2,0,0,0,0|1,0,1]=4 10652 B13R0.193 CCCCNC(=O)CNC(C)CCC 2230a_100000741246_100000182744 [0,2,0,0,0,0|1,0,0]=3 10653 B13R0.193 CCCCNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000182744 [0,2,0,0,0,0|2,0,0]=4 10654 B13R0.193 CCCCNC(=O)CN[C@H](C)CCO 34a_100000706166_100000182744 [0,2,0,0,0,0|2,0,0]=4 10655 B13R0.193 CCCCNC(=O)CN[C@H](C)COC 2230a_100000764878_100000182744 [0,2,0,0,0,0|2,0,0]=4 10656 B13R0.193 CCCCNC(=O)COC(C)CCBr 34a_100012276601_100000182744 [0,2,0,0,0,0|2,0,0]=4 10657 B13R0.193 CCCCNC(=O)COC(C)CCC 34a_100000764384_100000182744 [0,2,0,0,0,0|1,0,0]=3 10658 B13R0.193 CCCCNC(=O)COC(C)CCC 7a_100000764384_100000182744 [0,2,0,0,0,0|1,0,0]=3 10659 B13R0.193 CCCCNC(=O)CO[C@H](C)COC 34a_100011934205_100000182744 [0,2,0,0,0,0|2,0,0]=4 10660 B13R0.193 CCCCNC(=O)CSC(C)CCC 62a_100000182744_100000766640 [0,2,0,0,0,0|1,0,0]=3 10661 B13R0.193 CCCCNC(=O)CSC(C)CCC 62a_100000766640_100000182744 [0,2,0,0,0,0|1,0,0]=3 10662 B13R0.193 CCCCNC(=O)CSC(C)CCO 62a_100000182744_100009893172 [0,2,0,0,0,0|2,0,0]=4 10663 B13R0.193 CCCCNC(=O)CSC(C)CCO 62a_100009893172_100000182744 [0,2,0,0,0,0|2,0,0]=4 10664 B13R0.193 CCCCNC(=O)CSC(C)COC 62a_100000182744_100000765312 [0,2,0,0,0,0|2,0,0]=4 10665 B13R0.193 CCCCNC(=O)CSC(C)COC 62a_100000765312_100000182744 [0,2,0,0,0,0|2,0,0]=4 10666 B13R0.193 CCCCNC(=O)NCC(O)COC 2708a_100000102301_100000756049 [0,2,0,0,0,0|2,0,0]=4 10667 B13R0.193 CCCCNC(=O)NCC(O)COC 273464a_100000102301_100000756049 [0,2,0,0,0,0|2,0,0]=4 10668 B13R0.193 CCCCNC(=O)NCC(O)COC 273464a_100000756049_100000102301 [0,2,0,0,0,0|2,0,0]=4 10669 B13R0.193 CCCCNC(=O)NCC(O)COC 512a_100000102301_100000756049 [0,2,0,0,0,0|2,0,0]=4 10670 B13R0.193 CCCCNC(=O)NCC(O)COC 512a_100000756049_100000102301 [0,2,0,0,0,0|2,0,0]=4 10671 B13R0.193 CCCCOC(=O)CNC(C)CCC 2230a_100000741246_100000211628 [0,2,0,0,0,0|0,0,0]=2 10672 B13R0.193 CCCCOC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000211628 [0,2,0,0,0,0|1,0,1]=4 10673 B13R0.193 CCCCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000211628 [0,2,0,0,0,0|1,0,0]=3 10674 B13R0.193 CCCCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000211628 [0,2,0,0,0,0|1,0,0]=3 10675 B13R0.193 CCCCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000211628 [0,2,0,0,0,0|1,0,0]=3 10676 B13R0.193 CCCCOC(=O)COC(C)CCBr 34a_100012276601_100000211628 [0,2,0,0,0,0|1,0,0]=3 10677 B13R0.193 CCCCOC(=O)COC(C)CCC 34a_100000764384_100000211628 [0,2,0,0,0,0|0,0,0]=2 10678 B13R0.193 CCCCOC(=O)COC(C)CCC 7a_100000764384_100000211628 [0,2,0,0,0,0|0,0,0]=2 10679 B13R0.193 CCCCOC(=O)CO[C@H](C)COC 34a_100011934205_100000211628 [0,2,0,0,0,0|1,0,0]=3 10680 B13R0.193 CCCCOC(=O)CSC(C)CC#N 62a_100000211628_100009813641 [0,2,0,0,0,0|1,0,1]=4 10681 B13R0.193 CCCCOC(=O)CSC(C)CC#N 62a_100009813641_100000211628 [0,2,0,0,0,0|1,0,1]=4 10682 B13R0.193 CCCCOC(=O)CSC(C)CCC 62a_100000211628_100000766640 [0,2,0,0,0,0|0,0,0]=2 10683 B13R0.193 CCCCOC(=O)CSC(C)CCC 62a_100000766640_100000211628 [0,2,0,0,0,0|0,0,0]=2 10684 B13R0.193 CCCCOC(=O)CSC(C)CCO 62a_100000211628_100009893172 [0,2,0,0,0,0|1,0,0]=3 10685 B13R0.193 CCCCOC(=O)CSC(C)CCO 62a_100009893172_100000211628 [0,2,0,0,0,0|1,0,0]=3 10686 B13R0.193 CCCCOC(=O)CSC(C)COC 62a_100000211628_100000765312 [0,2,0,0,0,0|1,0,0]=3 10687 B13R0.193 CCCCOC(=O)CSC(C)COC 62a_100000765312_100000211628 [0,2,0,0,0,0|1,0,0]=3 10688 B13R0.193 CCCOCC(=O)COC(=O)CCC 1458a_100000745993_100000034017 [0,2,0,0,0,0|1,0,1]=4 10689 B13R0.193 CCCOCC(=O)NCC(O)COC 240690a_100000756049_100000745993 [0,2,0,0,0,0|2,0,0]=4 10690 B13R0.193 CCCOCC(=O)NCC(O)COC 527a_100000756049_100000745993 [0,2,0,0,0,0|2,0,0]=4 10691 B13R0.193 CCCSCC(=O)COC(=O)CCC 1458a_100000217233_100000034017 [0,2,0,0,0,0|1,0,1]=4 10692 B13R0.193 CCCSCC(=O)NCC(O)COC 240690a_100000756049_100000217233 [0,2,0,0,0,0|2,0,0]=4 10693 B13R0.193 CCCSCC(=O)NCC(O)COC 527a_100000756049_100000217233 [0,2,0,0,0,0|2,0,0]=4 10694 B13R0.193 CCOCCC(=O)NCC(O)COC 240690a_100000756049_100000749530 [0,2,0,0,0,0|2,0,0]=4 10695 B13R0.193 CCOCCC(=O)NCC(O)COC 527a_100000756049_100000749530 [0,2,0,0,0,0|2,0,0]=4 10696 B13R0.193 CCSCCC(=O)NCC(O)COC 240690a_100000756049_100000230768 [0,2,0,0,0,0|2,0,0]=4 10697 B13R0.193 CCSCCC(=O)NCC(O)COC 527a_100000756049_100000230768 [0,2,0,0,0,0|2,0,0]=4 10698 B13R0.193 COCC(O)CNC(=O)CCCSC 240690a_100000756049_100000173376 [0,2,0,0,0,0|2,0,0]=4 10699 B13R0.193 COCC(O)CNC(=O)CCCSC 527a_100000756049_100000173376 [0,2,0,0,0,0|2,0,0]=4 10700 B13R0.193 COCCCC(=O)NCC(O)COC 240690a_100000756049_100000741012 [0,2,0,0,0,0|2,0,0]=4 10701 B13R0.193 COCCCC(=O)NCC(O)COC 527a_100000756049_100000741012 [0,2,0,0,0,0|2,0,0]=4 10702 B13R0.193 COCCOC(=O)CN[C@H](C)CCO 2230a_100000706166_200000040189 [0,2,0,0,0,0|2,0,0]=4 10703 B13R0.193 COCCOC(=O)CN[C@H](C)CCO 34a_100000706166_200000040189 [0,2,0,0,0,0|2,0,0]=4 10704 B13R0.193 COCCOC(=O)CN[C@H](C)COC 2230a_100000764878_200000040189 [0,2,0,0,0,0|2,0,0]=4 10705 B13R0.193 COCCOC(=O)COC(C)CCBr 34a_100012276601_200000040189 [0,2,0,0,0,0|2,0,0]=4 10706 B13R0.193 COCCOC(=O)CO[C@H](C)COC 34a_100011934205_200000040189 [0,2,0,0,0,0|2,0,0]=4 10707 B13R0.193 COCCOC(=O)CSC(C)CCO 62a_100009893172_200000040189 [0,2,0,0,0,0|2,0,0]=4 10708 B13R0.193 COCCOC(=O)CSC(C)CCO 62a_200000040189_100009893172 [0,2,0,0,0,0|2,0,0]=4 10709 B13R0.193 COCCOC(=O)CSC(C)COC 62a_100000765312_200000040189 [0,2,0,0,0,0|2,0,0]=4 10710 B13R0.193 COCCOC(=O)CSC(C)COC 62a_200000040189_100000765312 [0,2,0,0,0,0|2,0,0]=4 10711 B13R0.194 C=CC(C)COCC(=O)CCCCC 34a_100011215527_200012276598 [0,2,0,0,0,0|0,0,2]=4 10712 B13R0.194 C=CC(C)COCC(=O)CCCCC 7a_100011215527_200012276598 [0,2,0,0,0,0|0,0,2]=4 10713 B13R0.194 C=CC(C)COCC(=O)NCCCC 34a_100011215527_100000182744 [0,2,0,0,0,0|2,0,0]=4 10714 B13R0.194 C=CC(C)COCC(=O)NCCCC 7a_100011215527_100000182744 [0,2,0,0,0,0|2,0,0]=4 10715 B13R0.194 C=CC(C)COCC(=O)OCCCC 34a_100011215527_100000211628 [0,2,0,0,0,0|1,0,0]=3 10716 B13R0.194 C=CC(C)COCC(=O)OCCCC 7a_100011215527_100000211628 [0,2,0,0,0,0|1,0,0]=3 10717 B13R0.194 C=CC(C)COCC(=O)OCCOC 34a_100011215527_200000040189 [0,2,0,0,0,0|2,0,0]=4 10718 B13R0.194 C=CC(C)COCC(=O)OCCOC 7a_100011215527_200000040189 [0,2,0,0,0,0|2,0,0]=4 10719 B13R0.194 C=CC(O)CSCC(=O)OCCCC 62a_100000211628_100000730141 [0,2,0,0,0,0|0,0,2]=4 10720 B13R0.194 C=CC(O)CSCC(=O)OCCCC 62a_100000730141_100000211628 [0,2,0,0,0,0|0,0,2]=4 10721 B13R0.194 C=C[C@H](N)COCC(=O)CCCCC 34a_100016989147_200012276598 [0,2,0,0,0,0|0,0,2]=4 10722 B13R0.194 C=C[C@H](N)COCC(=O)OCCCC 34a_100016989147_100000211628 [0,2,0,0,0,0|0,0,2]=4 10723 B13R0.194 CCC(=O)COCC(=O)OCCOC 34a_100000725409_200000040189 [0,2,0,0,0,0|1,0,1]=4 10724 B13R0.194 CCC(=O)CSCC(=O)OCCOC 62a_100000747405_200000040189 [0,2,0,0,0,0|1,0,1]=4 10725 B13R0.194 CCC(=O)CSCC(=O)OCCOC 62a_200000040189_100000747405 [0,2,0,0,0,0|1,0,1]=4 10726 B13R0.194 CCC(C)CCNC(=O)CCCCO 1626a_100020591266_100000695505 [0,2,0,0,0,0|2,0,0]=4 10727 B13R0.194 CCC(C)CCNC(=O)CCCOC 11a_100020591266_100000741012 [0,2,0,0,0,0|2,0,0]=4 10728 B13R0.194 CCC(C)CCNC(=O)CCCOC 1626a_100020591266_100000741012 [0,2,0,0,0,0|2,0,0]=4 10729 B13R0.194 CCC(C)CCNC(=O)CCCOC 240690a_100020591266_100000741012 [0,2,0,0,0,0|2,0,0]=4 10730 B13R0.194 CCC(C)CCNC(=O)CCCOC 527a_100020591266_100000741012 [0,2,0,0,0,0|2,0,0]=4 10731 B13R0.194 CCC(C)CCNC(=O)CCCSC 11a_100020591266_100000173376 [0,2,0,0,0,0|2,0,0]=4 10732 B13R0.194 CCC(C)CCNC(=O)CCCSC 1626a_100020591266_100000173376 [0,2,0,0,0,0|2,0,0]=4 10733 B13R0.194 CCC(C)CCNC(=O)CCCSC 240690a_100020591266_100000173376 [0,2,0,0,0,0|2,0,0]=4 10734 B13R0.194 CCC(C)CCNC(=O)CCCSC 527a_100020591266_100000173376 [0,2,0,0,0,0|2,0,0]=4 10735 B13R0.194 CCC(C)CCNC(=O)NCCCF 2708a_100015189416_100020591266 [0,2,0,0,0,0|2,0,0]=4 10736 B13R0.194 CCC(C)CCNC(=O)NCCCF 2708a_100020591266_100015189416 [0,2,0,0,0,0|2,0,0]=4 10737 B13R0.194 CCC(C)CCNC(=O)NCCCF 273464a_100015189416_100020591266 [0,2,0,0,0,0|2,0,0]=4 10738 B13R0.194 CCC(C)CCNC(=O)NCCCF 273464a_100020591266_100015189416 [0,2,0,0,0,0|2,0,0]=4 10739 B13R0.194 CCC(C)CCNC(=O)NCCCF 512a_100015189416_100020591266 [0,2,0,0,0,0|2,0,0]=4 10740 B13R0.194 CCC(C)CCNC(=O)NCCCF 512a_100020591266_100015189416 [0,2,0,0,0,0|2,0,0]=4 10741 B13R0.194 CCC(C)CCNC(=O)NCCCO 2708a_100020591266_100000182051 [0,2,0,0,0,0|2,0,0]=4 10742 B13R0.194 CCC(C)CCNC(=O)NCCCO 273464a_100000182051_100020591266 [0,2,0,0,0,0|2,0,0]=4 10743 B13R0.194 CCC(C)CCNC(=O)NCCCO 273464a_100020591266_100000182051 [0,2,0,0,0,0|2,0,0]=4 10744 B13R0.194 CCC(C)CCNC(=O)NCCCO 512a_100020591266_100000182051 [0,2,0,0,0,0|2,0,0]=4 10745 B13R0.194 CCC(C)CCNC(=O)NCCOC 2708a_100020591266_100000209980 [0,2,0,0,0,0|2,0,0]=4 10746 B13R0.194 CCC(C)CCNC(=O)NCCOC 273464a_100000209980_100020591266 [0,2,0,0,0,0|2,0,0]=4 10747 B13R0.194 CCC(C)CCNC(=O)NCCOC 273464a_100020591266_100000209980 [0,2,0,0,0,0|2,0,0]=4 10748 B13R0.194 CCC(C)CCNC(=O)NCCSC 2708a_100020590264_100020591266 [0,2,0,0,0,0|2,0,0]=4 10749 B13R0.194 CCC(C)CCNC(=O)NCCSC 2708a_100020591266_100020590264 [0,2,0,0,0,0|2,0,0]=4 10750 B13R0.194 CCC(C)CCNC(=O)NCCSC 273464a_100020590264_100020591266 [0,2,0,0,0,0|2,0,0]=4 10751 B13R0.194 CCC(C)CCNC(=O)NCCSC 273464a_100020591266_100020590264 [0,2,0,0,0,0|2,0,0]=4 10752 B13R0.194 CCC(C)CCNC(=O)NCCSC 512a_100020590264_100020591266 [0,2,0,0,0,0|2,0,0]=4 10753 B13R0.194 CCC(C)CCNC(=O)NCCSC 512a_100020591266_100020590264 [0,2,0,0,0,0|2,0,0]=4 10754 B13R0.194 CCC(C)CNCC(=O)NCCOC 2230a_100000754632_100000748023 [0,2,0,0,0,0|2,0,0]=4 10755 B13R0.194 CCC(C)CNCC(=O)NCCOC 2230a_100020588543_100000183275 [0,2,0,0,0,0|2,0,0]=4 10756 B13R0.194 CCC(C)CNCC(=O)OCCOC 2230a_100020588543_200000040189 [0,2,0,0,0,0|1,0,0]=3 10757 B13R0.194 CCC(C)CSCC(=O)NCCOC 62a_100000183275_100000748023 [0,2,0,0,0,0|2,0,0]=4 10758 B13R0.194 CCC(C)CSCC(=O)NCCOC 62a_100000748023_100000183275 [0,2,0,0,0,0|2,0,0]=4 10759 B13R0.194 CCC(C)CSCC(=O)OCCOC 62a_100000748023_200000040189 [0,2,0,0,0,0|1,0,0]=3 10760 B13R0.194 CCC(C)CSCC(=O)OCCOC 62a_200000040189_100000748023 [0,2,0,0,0,0|1,0,0]=3 10761 B13R0.194 CCC(O)CNCC(=O)NCCOC 2230a_100000754632_100011218378 [0,2,0,0,0,0|2,0,0]=4 10762 B13R0.194 CCC(O)CNCC(=O)NCCOC 2230a_100011218483_100000183275 [0,2,0,0,0,0|2,0,0]=4 10763 B13R0.194 CCC(O)CNCC(=O)OCCOC 2230a_100011218483_200000040189 [0,2,0,0,0,0|1,0,0]=3 10764 B13R0.194 CCC(O)CNNC(=O)CCCOC 22a_100015206393_100000741012 [0,2,0,0,0,0|2,0,0]=4 10765 B13R0.194 CCC(O)CNNC(=O)CCCSC 22a_100015206393_100000173376 [0,2,0,0,0,0|2,0,0]=4 10766 B13R0.194 CCC(O)CSCC(=O)NCCOC 62a_100000183275_100011218378 [0,2,0,0,0,0|2,0,0]=4 10767 B13R0.194 CCC(O)CSCC(=O)NCCOC 62a_100011218378_100000183275 [0,2,0,0,0,0|2,0,0]=4 10768 B13R0.194 CCC(O)CSCC(=O)OCCOC 62a_100011218378_200000040189 [0,2,0,0,0,0|1,0,0]=3 10769 B13R0.194 CCC(O)CSCC(=O)OCCOC 62a_200000040189_100011218378 [0,2,0,0,0,0|1,0,0]=3 10770 B13R0.194 CCCC#CC(=O)CCCN(C)CC 1458a_200011218047_100015186262 [0,2,0,0,0,0|1,0,1]=4 10771 B13R0.194 CCCC#CC(=O)NCCC(C)CC 240690a_100020591266_200011218047 [0,2,0,0,0,0|1,0,1]=4 10772 B13R0.194 CCCC=CC(=O)CCCN(C)CC 1458a_100000212230_100015186262 [0,2,0,0,0,0|1,0,1]=4 10773 B13R0.194 CCCC=CC(=O)NCCC(C)CC 11a_100020591266_100000212230 [0,2,0,0,0,0|1,0,1]=4 10774 B13R0.194 CCCC=CC(=O)NCCC(C)CC 1626a_100020591266_100000212230 [0,2,0,0,0,0|1,0,1]=4 10775 B13R0.194 CCCC=CC(=O)NCCC(C)CC 240690a_100020591266_100000212230 [0,2,0,0,0,0|1,0,1]=4 10776 B13R0.194 CCCCCC(=NNCC(O)CC)C 4a_100015206393_100000211708 [0,2,0,0,0,0|2,0,0]=4 10777 B13R0.194 CCCCCC(=O)CCCC(=O)NC 1458a_100000212188_100000741757 [0,2,0,0,0,0|1,0,1]=4 10778 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [0,2,0,0,0,0|1,0,1]=4 10779 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [0,2,0,0,0,0|1,0,1]=4 10780 B13R0.194 CCCCCC(=O)CCCN(C)CC 1458a_100000212188_100015186262 [0,2,0,0,0,0|1,0,0]=3 10781 B13R0.194 CCCCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210326 [0,2,0,0,0,0|2,0,0]=4 10782 B13R0.194 CCCCCC(=O)CNCC(C)CC 2230a_100020588543_200012276598 [0,2,0,0,0,0|1,0,0]=3 10783 B13R0.194 CCCCCC(=O)CNCC(C)CO 34a_100000744482_200012276598 [0,2,0,0,0,0|2,0,0]=4 10784 B13R0.194 CCCCCC(=O)CNCC(O)CC 2230a_100011218483_200012276598 [0,2,0,0,0,0|1,0,0]=3 10785 B13R0.194 CCCCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_200012276598 [0,2,0,0,0,0|2,0,0]=4 10786 B13R0.194 CCCCCC(=O)CNC[C@@H](F)CO 34a_100015665980_200012276598 [0,2,0,0,0,0|2,0,0]=4 10787 B13R0.194 CCCCCC(=O)CNC[C@H](O)CO 2230a_100020644852_200012276598 [0,2,0,0,0,0|2,0,0]=4 10788 B13R0.194 CCCCCC(=O)COCC(=O)CC 34a_100000725409_200012276598 [0,2,0,0,0,0|0,0,1]=3 10789 B13R0.194 CCCCCC(=O)COCC(=O)NC 34a_100000750040_200012276598 [0,2,0,0,0,0|1,0,1]=4 10790 B13R0.194 CCCCCC(=O)COCC(C)CN 34a_100000744482_200012276598 [0,2,0,0,0,0|1,0,0]=3 10791 B13R0.194 CCCCCC(=O)COCC(C)OC 34a_100000690652_200012276598 [0,2,0,0,0,0|1,0,0]=3 10792 B13R0.194 CCCCCC(=O)COCC(Cl)CCl 34a_100000033668_200012276598 [0,2,0,0,0,0|1,0,0]=3 10793 B13R0.194 CCCCCC(=O)COC[C@@H](C)CC 7a_100009816381_200012276598 [0,2,0,0,0,0|0,0,0]=2 10794 B13R0.194 CCCCCC(=O)COC[C@H](F)CN 34a_100015665980_200012276598 [0,2,0,0,0,0|1,0,0]=3 10795 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_100000747405_200012276598 [0,2,0,0,0,0|0,1,1]=4 10796 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_200012276598_100000747405 [0,2,0,0,0,0|0,1,1]=4 10797 B13R0.194 CCCCCC(=O)CSCC(C)CC 62a_100000748023_200012276598 [0,2,0,0,0,0|0,1,0]=3 10798 B13R0.194 CCCCCC(=O)CSCC(C)CC 62a_200012276598_100000748023 [0,2,0,0,0,0|0,1,0]=3 10799 B13R0.194 CCCCCC(=O)CSCC(O)CC 62a_100011218378_200012276598 [0,2,0,0,0,0|0,1,0]=3 10800 B13R0.194 CCCCCC(=O)CSCC(O)CC 62a_200012276598_100011218378 [0,2,0,0,0,0|0,1,0]=3 10801 B13R0.194 CCCCCC(=O)CSCC(O)CO 62a_100011219619_200012276598 [0,2,0,0,0,0|1,1,0]=4 10802 B13R0.194 CCCCCC(=O)CSCC(O)CO 62a_200012276598_100011219619 [0,2,0,0,0,0|1,1,0]=4 10803 B13R0.194 CCCCCC(=O)CSC[C@@H](C)CC 62a_100009816398_200012276598 [0,2,0,0,0,0|0,1,0]=3 10804 B13R0.194 CCCCCC(=O)CSC[C@@H](C)CC 62a_200012276598_100009816398 [0,2,0,0,0,0|0,1,0]=3 10805 B13R0.194 CCCCCC(=O)CSC[C@@H](C)CO 62a_100000059175_200012276598 [0,2,0,0,0,0|1,1,0]=4 10806 B13R0.194 CCCCCC(=O)CSC[C@@H](C)CO 62a_200012276598_100000059175 [0,2,0,0,0,0|1,1,0]=4 10807 B13R0.194 CCCCCC(=O)CSC[C@@H](O)CF 62a_100015614560_200012276598 [0,2,0,0,0,0|1,1,0]=4 10808 B13R0.194 CCCCCC(=O)CSC[C@@H](O)CF 62a_200012276598_100015614560 [0,2,0,0,0,0|1,1,0]=4 10809 B13R0.194 CCCCCC(=O)CSC[C@@H](O)CO 62a_100009815848_200012276598 [0,2,0,0,0,0|1,1,0]=4 10810 B13R0.194 CCCCCC(=O)CSC[C@@H](O)CO 62a_200012276598_100009815848 [0,2,0,0,0,0|1,1,0]=4 10811 B13R0.194 CCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000212188 [0,2,0,0,0,0|1,0,1]=4 10812 B13R0.194 CCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000212188 [0,2,0,0,0,0|1,0,1]=4 10813 B13R0.194 CCCCCC(=O)NCCC(=O)NC 527a_100000738227_100000212188 [0,2,0,0,0,0|1,0,1]=4 10814 B13R0.194 CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000212188 [0,2,0,0,0,0|1,0,1]=4 10815 B13R0.194 CCCCCC(=O)NCCC(C)CC 11a_100020591266_100000212188 [0,2,0,0,0,0|1,0,0]=3 10816 B13R0.194 CCCCCC(=O)NCCC(C)CC 1626a_100020591266_100000212188 [0,2,0,0,0,0|1,0,0]=3 10817 B13R0.194 CCCCCC(=O)NCCC(C)CC 240690a_100020591266_100000212188 [0,2,0,0,0,0|1,0,0]=3 10818 B13R0.194 CCCCCC(=O)NCCC(C)CC 527a_100020591266_100000212188 [0,2,0,0,0,0|1,0,0]=3 10819 B13R0.194 CCCCCC(=O)NCCC(C)CO 240690a_106354213184_100000212188 [0,2,0,0,0,0|1,0,0]=3 10820 B13R0.194 CCCCCC(=O)NCCC(C)CO 527a_106354213184_100000212188 [0,2,0,0,0,0|1,0,0]=3 10821 B13R0.194 CCCCCC(=O)NN=CC(C)CC 4a_100000189784_100000243153 [0,2,0,0,0,0|1,0,1]=4 10822 B13R0.194 CCCCCC(=O)NNCC(C)C#N 22a_100000045663_100000212188 [0,2,0,0,0,0|2,0,0]=4 10823 B13R0.194 CCCCCC(=O)NNCC(O)CC 22a_100015206393_100000212188 [0,2,0,0,0,0|1,0,0]=3 10824 B13R0.194 CCCCCC(C)OCCC(C)CC 7a_100011215188_200011218191 [0,2,0,0,0,0|1,0,1]=4 10825 B13R0.194 CCCCCC(C)OCCC(C)OC 7a_100000764861_200011218191 [0,2,0,0,0,0|1,0,1]=4 10826 B13R0.194 CCCCNC(=O)CCCC(=O)OC 11a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 10827 B13R0.194 CCCCNC(=O)CCCC(=O)OC 1626a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 10828 B13R0.194 CCCCNC(=O)CCCC(=O)OC 240690a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 10829 B13R0.194 CCCCNC(=O)CCCC(=O)OC 527a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 10830 B13R0.194 CCCCNC(=O)CCCN(C)N=O 11a_100000102301_200000076914 [0,2,0,0,0,0|2,0,0]=4 10831 B13R0.194 CCCCNC(=O)CCCN(C)N=O 1626a_100000102301_200000076914 [0,2,0,0,0,0|2,0,0]=4 10832 B13R0.194 CCCCNC(=O)CCCN(C)N=O 240690a_100000102301_200000076914 [0,2,0,0,0,0|2,0,0]=4 10833 B13R0.194 CCCCNC(=O)CCCN(C)N=O 527a_100000102301_200000076914 [0,2,0,0,0,0|2,0,0]=4 10834 B13R0.194 CCCCNC(=O)CNCC(C)CC 2230a_100020588543_100000182744 [0,2,0,0,0,0|1,0,0]=3 10835 B13R0.194 CCCCNC(=O)CNCC(C)CO 34a_100000744482_100000182744 [0,2,0,0,0,0|2,0,0]=4 10836 B13R0.194 CCCCNC(=O)CNCC(O)CC 2230a_100011218483_100000182744 [0,2,0,0,0,0|1,0,0]=3 10837 B13R0.194 CCCCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000182744 [0,2,0,0,0,0|2,0,0]=4 10838 B13R0.194 CCCCNC(=O)CNC[C@@H](F)CO 34a_100015665980_100000182744 [0,2,0,0,0,0|2,0,0]=4 10839 B13R0.194 CCCCNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000182744 [0,2,0,0,0,0|2,0,0]=4 10840 B13R0.194 CCCCNC(=O)COCC(=O)CC 34a_100000725409_100000182744 [0,2,0,0,0,0|1,0,1]=4 10841 B13R0.194 CCCCNC(=O)COCC(C)CN 34a_100000744482_100000182744 [0,2,0,0,0,0|2,0,0]=4 10842 B13R0.194 CCCCNC(=O)COCC(C)OC 34a_100000690652_100000182744 [0,2,0,0,0,0|2,0,0]=4 10843 B13R0.194 CCCCNC(=O)COCC(Cl)CCl 34a_100000033668_100000182744 [0,2,0,0,0,0|2,0,0]=4 10844 B13R0.194 CCCCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000182744 [0,2,0,0,0,0|1,0,0]=3 10845 B13R0.194 CCCCNC(=O)COC[C@H](F)CN 34a_100015665980_100000182744 [0,2,0,0,0,0|2,0,0]=4 10846 B13R0.194 CCCCNC(=O)CSCC(=O)CC 62a_100000182744_100000747405 [0,2,0,0,0,0|1,0,1]=4 10847 B13R0.194 CCCCNC(=O)CSCC(=O)CC 62a_100000747405_100000182744 [0,2,0,0,0,0|1,0,1]=4 10848 B13R0.194 CCCCNC(=O)CSCC(C)CC 62a_100000182744_100000748023 [0,2,0,0,0,0|1,0,0]=3 10849 B13R0.194 CCCCNC(=O)CSCC(C)CC 62a_100000748023_100000182744 [0,2,0,0,0,0|1,0,0]=3 10850 B13R0.194 CCCCNC(=O)CSCC(O)CC 62a_100000182744_100011218378 [0,2,0,0,0,0|1,0,0]=3 10851 B13R0.194 CCCCNC(=O)CSCC(O)CC 62a_100011218378_100000182744 [0,2,0,0,0,0|1,0,0]=3 10852 B13R0.194 CCCCNC(=O)CSCC(O)CO 62a_100000182744_100011219619 [0,2,0,0,0,0|2,0,0]=4 10853 B13R0.194 CCCCNC(=O)CSCC(O)CO 62a_100011219619_100000182744 [0,2,0,0,0,0|2,0,0]=4 10854 B13R0.194 CCCCNC(=O)CSC[C@@H](C)CC 62a_100000182744_100009816398 [0,2,0,0,0,0|1,0,0]=3 10855 B13R0.194 CCCCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000182744 [0,2,0,0,0,0|1,0,0]=3 10856 B13R0.194 CCCCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000182744 [0,2,0,0,0,0|2,0,0]=4 10857 B13R0.194 CCCCNC(=O)CSC[C@@H](C)CO 62a_100000182744_100000059175 [0,2,0,0,0,0|2,0,0]=4 10858 B13R0.194 CCCCNC(=O)CSC[C@@H](O)CF 62a_100000182744_100015614560 [0,2,0,0,0,0|2,0,0]=4 10859 B13R0.194 CCCCNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000182744 [0,2,0,0,0,0|2,0,0]=4 10860 B13R0.194 CCCCNC(=O)CSC[C@@H](O)CO 62a_100000182744_100009815848 [0,2,0,0,0,0|2,0,0]=4 10861 B13R0.194 CCCCNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000182744 [0,2,0,0,0,0|2,0,0]=4 10862 B13R0.194 CCCCNC(=O)NCCC(C)CC 2708a_100000102301_100020591266 [0,2,0,0,0,0|1,0,0]=3 10863 B13R0.194 CCCCNC(=O)NCCC(C)CC 2708a_100020591266_100000102301 [0,2,0,0,0,0|1,0,0]=3 10864 B13R0.194 CCCCNC(=O)NCCC(C)CC 273464a_100000102301_100020591266 [0,2,0,0,0,0|1,0,0]=3 10865 B13R0.194 CCCCNC(=O)NCCC(C)CC 273464a_100020591266_100000102301 [0,2,0,0,0,0|1,0,0]=3 10866 B13R0.194 CCCCNC(=O)NCCC(C)CC 512a_100000102301_100020591266 [0,2,0,0,0,0|1,0,0]=3 10867 B13R0.194 CCCCNC(=O)NCCC(C)CC 512a_100020591266_100000102301 [0,2,0,0,0,0|1,0,0]=3 10868 B13R0.194 CCCCNC(=O)NCCC(C)CO 2708a_100000102301_106354213184 [0,2,0,0,0,0|2,0,0]=4 10869 B13R0.194 CCCCNC(=O)NCCC(C)CO 273464a_100000102301_106354213184 [0,2,0,0,0,0|2,0,0]=4 10870 B13R0.194 CCCCNC(=O)NCCC(C)CO 273464a_106354213184_100000102301 [0,2,0,0,0,0|2,0,0]=4 10871 B13R0.194 CCCCNC(=O)NCCC(C)CO 512a_100000102301_106354213184 [0,2,0,0,0,0|2,0,0]=4 10872 B13R0.194 CCCCNC(=O)NCCC(C)CO 512a_106354213184_100000102301 [0,2,0,0,0,0|2,0,0]=4 10873 B13R0.194 CCCCNC(=O)NNCC(O)CC 273464a_100000102301_100015206393 [0,2,0,0,0,0|2,0,0]=4 10874 B13R0.194 CCCCNC(=O)NNCC(O)CC 512a_100000102301_100015206393 [0,2,0,0,0,0|2,0,0]=4 10875 B13R0.194 CCCCNC(=O)NNCC(O)CC 512a_100015206393_100000102301 [0,2,0,0,0,0|2,0,0]=4 10876 B13R0.194 CCCCOC(=O)CNCC(=O)NC 2230a_100000693194_100000211628 [0,2,0,0,0,0|1,0,1]=4 10877 B13R0.194 CCCCOC(=O)CNCC(C)CC 2230a_100020588543_100000211628 [0,2,0,0,0,0|0,0,0]=2 10878 B13R0.194 CCCCOC(=O)CNCC(C)CO 34a_100000744482_100000211628 [0,2,0,0,0,0|1,0,0]=3 10879 B13R0.194 CCCCOC(=O)CNCC(O)CC 2230a_100011218483_100000211628 [0,2,0,0,0,0|0,0,0]=2 10880 B13R0.194 CCCCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000211628 [0,2,0,0,0,0|1,0,0]=3 10881 B13R0.194 CCCCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000211628 [0,2,0,0,0,0|1,0,0]=3 10882 B13R0.194 CCCCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000211628 [0,2,0,0,0,0|1,0,0]=3 10883 B13R0.194 CCCCOC(=O)COCC(=O)CC 34a_100000725409_100000211628 [0,2,0,0,0,0|0,0,1]=3 10884 B13R0.194 CCCCOC(=O)COCC(=O)NC 34a_100000750040_100000211628 [0,2,0,0,0,0|1,0,1]=4 10885 B13R0.194 CCCCOC(=O)COCC(C)CN 34a_100000744482_100000211628 [0,2,0,0,0,0|1,0,0]=3 10886 B13R0.194 CCCCOC(=O)COCC(C)OC 34a_100000690652_100000211628 [0,2,0,0,0,0|1,0,0]=3 10887 B13R0.194 CCCCOC(=O)COCC(Cl)CCl 34a_100000033668_100000211628 [0,2,0,0,0,0|1,0,0]=3 10888 B13R0.194 CCCCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000211628 [0,2,0,0,0,0|0,0,0]=2 10889 B13R0.194 CCCCOC(=O)COC[C@H](F)CN 34a_100015665980_100000211628 [0,2,0,0,0,0|1,0,0]=3 10890 B13R0.194 CCCCOC(=O)CSCC(=O)CC 62a_100000211628_100000747405 [0,2,0,0,0,0|0,0,1]=3 10891 B13R0.194 CCCCOC(=O)CSCC(=O)CC 62a_100000747405_100000211628 [0,2,0,0,0,0|0,0,1]=3 10892 B13R0.194 CCCCOC(=O)CSCC(=O)NC 62a_100000183359_100000211628 [0,2,0,0,0,0|1,0,1]=4 10893 B13R0.194 CCCCOC(=O)CSCC(=O)NC 62a_100000211628_100000183359 [0,2,0,0,0,0|1,0,1]=4 10894 B13R0.194 CCCCOC(=O)CSCC(=O)OC 62a_100000211628_100000747449 [0,2,0,0,0,0|1,0,1]=4 10895 B13R0.194 CCCCOC(=O)CSCC(=O)OC 62a_100000747449_100000211628 [0,2,0,0,0,0|1,0,1]=4 10896 B13R0.194 CCCCOC(=O)CSCC(C)CC 62a_100000211628_100000748023 [0,2,0,0,0,0|0,0,0]=2 10897 B13R0.194 CCCCOC(=O)CSCC(C)CC 62a_100000748023_100000211628 [0,2,0,0,0,0|0,0,0]=2 10898 B13R0.194 CCCCOC(=O)CSCC(O)CC 62a_100000211628_100011218378 [0,2,0,0,0,0|0,0,0]=2 10899 B13R0.194 CCCCOC(=O)CSCC(O)CC 62a_100011218378_100000211628 [0,2,0,0,0,0|0,0,0]=2 10900 B13R0.194 CCCCOC(=O)CSCC(O)CO 62a_100000211628_100011219619 [0,2,0,0,0,0|1,0,0]=3 10901 B13R0.194 CCCCOC(=O)CSCC(O)CO 62a_100011219619_100000211628 [0,2,0,0,0,0|1,0,0]=3 10902 B13R0.194 CCCCOC(=O)CSC[C@@H](C)CC 62a_100000211628_100009816398 [0,2,0,0,0,0|0,0,0]=2 10903 B13R0.194 CCCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000211628 [0,2,0,0,0,0|0,0,0]=2 10904 B13R0.194 CCCCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000211628 [0,2,0,0,0,0|1,0,0]=3 10905 B13R0.194 CCCCOC(=O)CSC[C@@H](C)CO 62a_100000211628_100000059175 [0,2,0,0,0,0|1,0,0]=3 10906 B13R0.194 CCCCOC(=O)CSC[C@@H](O)CF 62a_100000211628_100015614560 [0,2,0,0,0,0|1,0,0]=3 10907 B13R0.194 CCCCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000211628 [0,2,0,0,0,0|1,0,0]=3 10908 B13R0.194 CCCCOC(=O)CSC[C@@H](O)CO 62a_100000211628_100009815848 [0,2,0,0,0,0|1,0,0]=3 10909 B13R0.194 CCCCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000211628 [0,2,0,0,0,0|1,0,0]=3 10910 B13R0.194 CCCNNC(=O)NCCC(C)CC 273464a_100020591266_100000740057 [0,2,0,0,0,0|2,0,0]=4 10911 B13R0.194 CCCNNC(=O)NCCC(C)CC 512a_100000740057_100020591266 [0,2,0,0,0,0|2,0,0]=4 10912 B13R0.194 CCCNNC(=O)NCCC(C)CC 512a_100020591266_100000740057 [0,2,0,0,0,0|2,0,0]=4 10913 B13R0.194 CCCOCC(=O)CCCN(C)CC 1458a_100000745993_100015186262 [0,2,0,0,0,0|2,0,0]=4 10914 B13R0.194 CCCOCC(=O)NCCC(C)CC 11a_100020591266_100000745993 [0,2,0,0,0,0|2,0,0]=4 10915 B13R0.194 CCCOCC(=O)NCCC(C)CC 1626a_100020591266_100000745993 [0,2,0,0,0,0|2,0,0]=4 10916 B13R0.194 CCCOCC(=O)NCCC(C)CC 240690a_100020591266_100000745993 [0,2,0,0,0,0|2,0,0]=4 10917 B13R0.194 CCCOCC(=O)NCCC(C)CC 527a_100020591266_100000745993 [0,2,0,0,0,0|2,0,0]=4 10918 B13R0.194 CCCOCC(=O)NCCC(C)CO 240690a_106354213184_100000745993 [0,2,0,0,0,0|2,0,0]=4 10919 B13R0.194 CCCOCC(=O)NCCC(C)CO 527a_106354213184_100000745993 [0,2,0,0,0,0|2,0,0]=4 10920 B13R0.194 CCCOCC(=O)NNCC(O)CC 22a_100015206393_100000745993 [0,2,0,0,0,0|2,0,0]=4 10921 B13R0.194 CCCSCC(=O)CCCN(C)CC 1458a_100000217233_100015186262 [0,2,0,0,0,0|2,0,0]=4 10922 B13R0.194 CCCSCC(=O)NCCC(C)CC 11a_100020591266_100000217233 [0,2,0,0,0,0|2,0,0]=4 10923 B13R0.194 CCCSCC(=O)NCCC(C)CC 1626a_100020591266_100000217233 [0,2,0,0,0,0|2,0,0]=4 10924 B13R0.194 CCCSCC(=O)NCCC(C)CC 240690a_100020591266_100000217233 [0,2,0,0,0,0|2,0,0]=4 10925 B13R0.194 CCCSCC(=O)NCCC(C)CC 527a_100020591266_100000217233 [0,2,0,0,0,0|2,0,0]=4 10926 B13R0.194 CCCSCC(=O)NCCC(C)CO 240690a_106354213184_100000217233 [0,2,0,0,0,0|2,0,0]=4 10927 B13R0.194 CCCSCC(=O)NCCC(C)CO 527a_106354213184_100000217233 [0,2,0,0,0,0|2,0,0]=4 10928 B13R0.194 CCCSCC(=O)NNCC(O)CC 22a_100015206393_100000217233 [0,2,0,0,0,0|2,0,0]=4 10929 B13R0.194 CCN(C)CCCC(=O)CCCCO 1458a_100000695505_100015186262 [0,2,0,0,0,0|2,0,0]=4 10930 B13R0.194 CCN(C)CCCC(=O)CCCOC 1458a_100000741012_100015186262 [0,2,0,0,0,0|2,0,0]=4 10931 B13R0.194 CCN(C)CCCC(=O)CCCSC 1458a_100000173376_100015186262 [0,2,0,0,0,0|2,0,0]=4 10932 B13R0.194 CCOCCC(=O)CCCN(C)CC 1458a_100000749530_100015186262 [0,2,0,0,0,0|2,0,0]=4 10933 B13R0.194 CCOCCC(=O)NCCC(C)CC 11a_100020591266_100000749530 [0,2,0,0,0,0|2,0,0]=4 10934 B13R0.194 CCOCCC(=O)NCCC(C)CC 1626a_100020591266_100000749530 [0,2,0,0,0,0|2,0,0]=4 10935 B13R0.194 CCOCCC(=O)NCCC(C)CC 240690a_100020591266_100000749530 [0,2,0,0,0,0|2,0,0]=4 10936 B13R0.194 CCOCCC(=O)NCCC(C)CC 527a_100020591266_100000749530 [0,2,0,0,0,0|2,0,0]=4 10937 B13R0.194 CCOCCC(=O)NCCC(C)CO 240690a_106354213184_100000749530 [0,2,0,0,0,0|2,0,0]=4 10938 B13R0.194 CCOCCC(=O)NCCC(C)CO 527a_106354213184_100000749530 [0,2,0,0,0,0|2,0,0]=4 10939 B13R0.194 CCOCCC(=O)NNCC(O)CC 22a_100015206393_100000749530 [0,2,0,0,0,0|2,0,0]=4 10940 B13R0.194 CCSCCC(=O)CCCN(C)CC 1458a_100000230768_100015186262 [0,2,0,0,0,0|2,0,0]=4 10941 B13R0.194 CCSCCC(=O)NCCC(C)CC 11a_100020591266_100000230768 [0,2,0,0,0,0|2,0,0]=4 10942 B13R0.194 CCSCCC(=O)NCCC(C)CC 1626a_100020591266_100000230768 [0,2,0,0,0,0|2,0,0]=4 10943 B13R0.194 CCSCCC(=O)NCCC(C)CC 240690a_100020591266_100000230768 [0,2,0,0,0,0|2,0,0]=4 10944 B13R0.194 CCSCCC(=O)NCCC(C)CC 527a_100020591266_100000230768 [0,2,0,0,0,0|2,0,0]=4 10945 B13R0.194 CCSCCC(=O)NCCC(C)CO 240690a_106354213184_100000230768 [0,2,0,0,0,0|2,0,0]=4 10946 B13R0.194 CCSCCC(=O)NCCC(C)CO 527a_106354213184_100000230768 [0,2,0,0,0,0|2,0,0]=4 10947 B13R0.194 CCSCCC(=O)NNCC(O)CC 22a_100015206393_100000230768 [0,2,0,0,0,0|2,0,0]=4 10948 B13R0.194 CC[C@H](C)CNCC(=O)NCCOC 2230a_100000754632_100009816398 [0,2,0,0,0,0|2,0,0]=4 10949 B13R0.194 CC[C@H](C)COCC(=O)NCCOC 7a_100009816381_100000183275 [0,2,0,0,0,0|2,0,0]=4 10950 B13R0.194 CC[C@H](C)COCC(=O)OCCOC 7a_100009816381_200000040189 [0,2,0,0,0,0|1,0,0]=3 10951 B13R0.194 CC[C@H](C)CSCC(=O)NCCOC 62a_100000183275_100009816398 [0,2,0,0,0,0|2,0,0]=4 10952 B13R0.194 CC[C@H](C)CSCC(=O)NCCOC 62a_100009816398_100000183275 [0,2,0,0,0,0|2,0,0]=4 10953 B13R0.194 CC[C@H](C)CSCC(=O)OCCOC 62a_100009816398_200000040189 [0,2,0,0,0,0|1,0,0]=3 10954 B13R0.194 CC[C@H](C)CSCC(=O)OCCOC 62a_200000040189_100009816398 [0,2,0,0,0,0|1,0,0]=3 10955 B13R0.194 COCCCC(=O)NCCC(C)CO 240690a_106354213184_100000741012 [0,2,0,0,0,0|2,0,0]=4 10956 B13R0.194 COCCCC(=O)NCCC(C)CO 527a_106354213184_100000741012 [0,2,0,0,0,0|2,0,0]=4 10957 B13R0.194 COCCOC(=O)CNCC(C)CO 34a_100000744482_200000040189 [0,2,0,0,0,0|2,0,0]=4 10958 B13R0.194 COCCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_200000040189 [0,2,0,0,0,0|2,0,0]=4 10959 B13R0.194 COCCOC(=O)CNC[C@@H](F)CO 34a_100015665980_200000040189 [0,2,0,0,0,0|2,0,0]=4 10960 B13R0.194 COCCOC(=O)CNC[C@H](O)CO 2230a_100020644852_200000040189 [0,2,0,0,0,0|2,0,0]=4 10961 B13R0.194 COCCOC(=O)COCC(C)CN 34a_100000744482_200000040189 [0,2,0,0,0,0|2,0,0]=4 10962 B13R0.194 COCCOC(=O)COCC(C)OC 34a_100000690652_200000040189 [0,2,0,0,0,0|2,0,0]=4 10963 B13R0.194 COCCOC(=O)COCC(Cl)CCl 34a_100000033668_200000040189 [0,2,0,0,0,0|2,0,0]=4 10964 B13R0.194 COCCOC(=O)COC[C@H](F)CN 34a_100015665980_200000040189 [0,2,0,0,0,0|2,0,0]=4 10965 B13R0.194 COCCOC(=O)CSCC(O)CO 62a_100011219619_200000040189 [0,2,0,0,0,0|2,0,0]=4 10966 B13R0.194 COCCOC(=O)CSCC(O)CO 62a_200000040189_100011219619 [0,2,0,0,0,0|2,0,0]=4 10967 B13R0.194 COCCOC(=O)CSC[C@@H](C)CO 62a_100000059175_200000040189 [0,2,0,0,0,0|2,0,0]=4 10968 B13R0.194 COCCOC(=O)CSC[C@@H](C)CO 62a_200000040189_100000059175 [0,2,0,0,0,0|2,0,0]=4 10969 B13R0.194 COCCOC(=O)CSC[C@@H](O)CF 62a_100015614560_200000040189 [0,2,0,0,0,0|2,0,0]=4 10970 B13R0.194 COCCOC(=O)CSC[C@@H](O)CF 62a_200000040189_100015614560 [0,2,0,0,0,0|2,0,0]=4 10971 B13R0.194 COCCOC(=O)CSC[C@@H](O)CO 62a_100009815848_200000040189 [0,2,0,0,0,0|2,0,0]=4 10972 B13R0.194 COCCOC(=O)CSC[C@@H](O)CO 62a_200000040189_100009815848 [0,2,0,0,0,0|2,0,0]=4 10973 B13R0.194 CSCCCC(=O)NCCC(C)CO 240690a_106354213184_100000173376 [0,2,0,0,0,0|2,0,0]=4 10974 B13R0.194 CSCCCC(=O)NCCC(C)CO 527a_106354213184_100000173376 [0,2,0,0,0,0|2,0,0]=4 10975 B13R0.195 C#CCCC(=O)CC(=O)OCCCC 1458a_100000692101_100000211628 [0,2,0,0,0,0|0,0,2]=4 10976 B13R0.195 C=CCCC(=O)CC(=O)OCCCC 1458a_100000749702_100000211628 [0,2,0,0,0,0|0,0,2]=4 10977 B13R0.195 C=CCCN(C)CC(=O)OCCCC 2230a_100020639649_100000211628 [0,2,0,0,0,0|0,0,2]=4 10978 B13R0.195 C=CCCN(C)CC(=O)OCCCC 269982a_100020639649_100000211628 [0,2,0,0,0,0|0,0,2]=4 10979 B13R0.195 CC=CCC(=O)CC(=O)OCCCC 1458a_100121576822_100000211628 [0,2,0,0,0,0|0,0,2]=4 10980 B13R0.195 CCC#CC(=O)CC(=O)OCCCC 1458a_100011827653_100000211628 [0,2,0,0,0,0|0,0,2]=4 10981 B13R0.195 CCC=CC(=O)CC(=O)OCCCC 1458a_100000212282_100000211628 [0,2,0,0,0,0|0,0,2]=4 10982 B13R0.195 CCCC#CC(=O)NC(C)CCCC 240690a_100000126638_200011218047 [0,2,0,0,0,0|1,0,1]=4 10983 B13R0.195 CCCC=CC(=O)NC(C)CCCC 11a_100000126638_100000212230 [0,2,0,0,0,0|1,0,1]=4 10984 B13R0.195 CCCC=CC(=O)NC(C)CCCC 1626a_100000126638_100000212230 [0,2,0,0,0,0|1,0,1]=4 10985 B13R0.195 CCCC=CC(=O)NC(C)CCCC 240690a_100000126638_100000212230 [0,2,0,0,0,0|1,0,1]=4 10986 B13R0.195 CCCCC(=O)CC(=O)NCCOC 1458a_100000210183_100000183275 [0,2,0,0,0,0|2,0,0]=4 10987 B13R0.195 CCCCC(=O)CC(=O)OCCOC 1458a_100000210183_200000040189 [0,2,0,0,0,0|1,0,0]=3 10988 B13R0.195 CCCCC(C)NC(=O)CCCCO 1626a_100000126638_100000695505 [0,2,0,0,0,0|2,0,0]=4 10989 B13R0.195 CCCCC(C)NC(=O)CCCOC 11a_100000126638_100000741012 [0,2,0,0,0,0|2,0,0]=4 10990 B13R0.195 CCCCC(C)NC(=O)CCCOC 1626a_100000126638_100000741012 [0,2,0,0,0,0|2,0,0]=4 10991 B13R0.195 CCCCC(C)NC(=O)CCCOC 240690a_100000126638_100000741012 [0,2,0,0,0,0|2,0,0]=4 10992 B13R0.195 CCCCC(C)NC(=O)CCCOC 527a_100000126638_100000741012 [0,2,0,0,0,0|2,0,0]=4 10993 B13R0.195 CCCCC(C)NC(=O)CCCSC 11a_100000126638_100000173376 [0,2,0,0,0,0|2,0,0]=4 10994 B13R0.195 CCCCC(C)NC(=O)CCCSC 1626a_100000126638_100000173376 [0,2,0,0,0,0|2,0,0]=4 10995 B13R0.195 CCCCC(C)NC(=O)CCCSC 240690a_100000126638_100000173376 [0,2,0,0,0,0|2,0,0]=4 10996 B13R0.195 CCCCC(C)NC(=O)CCCSC 527a_100000126638_100000173376 [0,2,0,0,0,0|2,0,0]=4 10997 B13R0.195 CCCCC(C)NC(=O)CCOCC 11a_100000126638_100000749530 [0,2,0,0,0,0|2,0,0]=4 10998 B13R0.195 CCCCC(C)NC(=O)CCOCC 1626a_100000126638_100000749530 [0,2,0,0,0,0|2,0,0]=4 10999 B13R0.195 CCCCC(C)NC(=O)CCOCC 240690a_100000126638_100000749530 [0,2,0,0,0,0|2,0,0]=4 11000 B13R0.195 CCCCC(C)NC(=O)CCOCC 527a_100000126638_100000749530 [0,2,0,0,0,0|2,0,0]=4 11001 B13R0.195 CCCCC(C)NC(=O)CCSCC 11a_100000126638_100000230768 [0,2,0,0,0,0|2,0,0]=4 11002 B13R0.195 CCCCC(C)NC(=O)CCSCC 1626a_100000126638_100000230768 [0,2,0,0,0,0|2,0,0]=4 11003 B13R0.195 CCCCC(C)NC(=O)CCSCC 240690a_100000126638_100000230768 [0,2,0,0,0,0|2,0,0]=4 11004 B13R0.195 CCCCC(C)NC(=O)CCSCC 527a_100000126638_100000230768 [0,2,0,0,0,0|2,0,0]=4 11005 B13R0.195 CCCCC(C)NC(=O)COCCC 11a_100000126638_100000745993 [0,2,0,0,0,0|2,0,0]=4 11006 B13R0.195 CCCCC(C)NC(=O)COCCC 1626a_100000126638_100000745993 [0,2,0,0,0,0|2,0,0]=4 11007 B13R0.195 CCCCC(C)NC(=O)COCCC 240690a_100000126638_100000745993 [0,2,0,0,0,0|2,0,0]=4 11008 B13R0.195 CCCCC(C)NC(=O)COCCC 527a_100000126638_100000745993 [0,2,0,0,0,0|2,0,0]=4 11009 B13R0.195 CCCCC(C)NC(=O)CSCCC 11a_100000126638_100000217233 [0,2,0,0,0,0|2,0,0]=4 11010 B13R0.195 CCCCC(C)NC(=O)CSCCC 1626a_100000126638_100000217233 [0,2,0,0,0,0|2,0,0]=4 11011 B13R0.195 CCCCC(C)NC(=O)CSCCC 240690a_100000126638_100000217233 [0,2,0,0,0,0|2,0,0]=4 11012 B13R0.195 CCCCC(C)NC(=O)CSCCC 527a_100000126638_100000217233 [0,2,0,0,0,0|2,0,0]=4 11013 B13R0.195 CCCCC(C)NC(=O)NCCCF 2708a_100000126638_100015189416 [0,2,0,0,0,0|2,0,0]=4 11014 B13R0.195 CCCCC(C)NC(=O)NCCCF 2708a_100015189416_100000126638 [0,2,0,0,0,0|2,0,0]=4 11015 B13R0.195 CCCCC(C)NC(=O)NCCCF 273464a_100000126638_100015189416 [0,2,0,0,0,0|2,0,0]=4 11016 B13R0.195 CCCCC(C)NC(=O)NCCCF 273464a_100015189416_100000126638 [0,2,0,0,0,0|2,0,0]=4 11017 B13R0.195 CCCCC(C)NC(=O)NCCCF 512a_100000126638_100015189416 [0,2,0,0,0,0|2,0,0]=4 11018 B13R0.195 CCCCC(C)NC(=O)NCCCF 512a_100015189416_100000126638 [0,2,0,0,0,0|2,0,0]=4 11019 B13R0.195 CCCCC(C)NC(=O)NCCCO 2708a_100000126638_100000182051 [0,2,0,0,0,0|2,0,0]=4 11020 B13R0.195 CCCCC(C)NC(=O)NCCCO 273464a_100000126638_100000182051 [0,2,0,0,0,0|2,0,0]=4 11021 B13R0.195 CCCCC(C)NC(=O)NCCCO 273464a_100000182051_100000126638 [0,2,0,0,0,0|2,0,0]=4 11022 B13R0.195 CCCCC(C)NC(=O)NCCCO 512a_100000126638_100000182051 [0,2,0,0,0,0|2,0,0]=4 11023 B13R0.195 CCCCC(C)NC(=O)NCCOC 2708a_100000126638_100000209980 [0,2,0,0,0,0|2,0,0]=4 11024 B13R0.195 CCCCC(C)NC(=O)NCCOC 273464a_100000126638_100000209980 [0,2,0,0,0,0|2,0,0]=4 11025 B13R0.195 CCCCC(C)NC(=O)NCCOC 273464a_100000209980_100000126638 [0,2,0,0,0,0|2,0,0]=4 11026 B13R0.195 CCCCC(C)NC(=O)NCCSC 2708a_100000126638_100020590264 [0,2,0,0,0,0|2,0,0]=4 11027 B13R0.195 CCCCC(C)NC(=O)NCCSC 2708a_100020590264_100000126638 [0,2,0,0,0,0|2,0,0]=4 11028 B13R0.195 CCCCC(C)NC(=O)NCCSC 273464a_100000126638_100020590264 [0,2,0,0,0,0|2,0,0]=4 11029 B13R0.195 CCCCC(C)NC(=O)NCCSC 273464a_100020590264_100000126638 [0,2,0,0,0,0|2,0,0]=4 11030 B13R0.195 CCCCC(C)NC(=O)NCCSC 512a_100000126638_100020590264 [0,2,0,0,0,0|2,0,0]=4 11031 B13R0.195 CCCCC(C)NC(=O)NCCSC 512a_100020590264_100000126638 [0,2,0,0,0,0|2,0,0]=4 11032 B13R0.195 CCCCC(C)NC(=O)NNCCC 273464a_100000126638_100000740057 [0,2,0,0,0,0|2,0,0]=4 11033 B13R0.195 CCCCC(C)NC(=O)NNCCC 512a_100000126638_100000740057 [0,2,0,0,0,0|2,0,0]=4 11034 B13R0.195 CCCCC(C)NC(=O)NNCCC 512a_100000740057_100000126638 [0,2,0,0,0,0|2,0,0]=4 11035 B13R0.195 CCCCCC(=O)CC(=O)CCCC 1458a_100000210183_200012276598 [0,2,0,0,0,0|1,0,0]=3 11036 B13R0.195 CCCCCC(=O)CC(=O)CCOC 1458a_100000749529_200012276598 [0,2,0,0,0,0|1,0,1]=4 11037 B13R0.195 CCCCCC(=O)CC(=O)CCSC 1458a_100000174002_200012276598 [0,2,0,0,0,0|1,0,1]=4 11038 B13R0.195 CCCCCC(=O)CC(=O)COCC 1458a_100000211967_200012276598 [0,2,0,0,0,0|1,0,1]=4 11039 B13R0.195 CCCCCC(=O)CC(=O)CSCC 1458a_100000230394_200012276598 [0,2,0,0,0,0|1,0,1]=4 11040 B13R0.195 CCCCCC(=O)CC(=O)NCCC 1458a_100000212188_100000183358 [0,2,0,0,0,0|1,0,1]=4 11041 B13R0.195 CCCCCC(=O)CC(=O)OCCC 1458a_100000212188_200011215008 [0,2,0,0,0,0|1,0,1]=4 11042 B13R0.195 CCCCCC(=O)CN(C)CCCC 2230a_100000207549_200012276598 [0,2,0,0,0,0|1,0,0]=3 11043 B13R0.195 CCCCCC(=O)CN(C)CCCC 269982a_100000207549_200012276598 [0,2,0,0,0,0|1,0,0]=3 11044 B13R0.195 CCCCCC(=O)CN(C)CCCO 2230a_100000213112_200012276598 [0,2,0,0,0,0|2,0,0]=4 11045 B13R0.195 CCCCCC(=O)CN(C)CCCO 269982a_100000213112_200012276598 [0,2,0,0,0,0|2,0,0]=4 11046 B13R0.195 CCCCCC(=O)CN(C)CCOC 2230a_100000743101_200012276598 [0,2,0,0,0,0|2,0,0]=4 11047 B13R0.195 CCCCCC(=O)CN(C)CCOC 269982a_100000743101_200012276598 [0,2,0,0,0,0|2,0,0]=4 11048 B13R0.195 CCCCCC(=O)CN(C)CCSC 2230a_100000686725_200012276598 [0,2,0,0,0,0|2,0,0]=4 11049 B13R0.195 CCCCCC(=O)CN(C)CCSC 269982a_100000686725_200012276598 [0,2,0,0,0,0|2,0,0]=4 11050 B13R0.195 CCCCCC(=O)NC(C)CCCC 11a_100000126638_100000212188 [0,2,0,0,0,0|1,0,0]=3 11051 B13R0.195 CCCCCC(=O)NC(C)CCCC 1626a_100000126638_100000212188 [0,2,0,0,0,0|1,0,0]=3 11052 B13R0.195 CCCCCC(=O)NC(C)CCCC 240690a_100000126638_100000212188 [0,2,0,0,0,0|1,0,0]=3 11053 B13R0.195 CCCCCC(=O)NC(C)CCCC 527a_100000126638_100000212188 [0,2,0,0,0,0|1,0,0]=3 11054 B13R0.195 CCCCCC(C)OC(C)CCCC 34a_100000687866_200011218191 [0,2,0,0,0,0|1,0,1]=4 11055 B13R0.195 CCCCCC(C)OC(C)CCCC 34a_100011215632_200011215066 [0,2,0,0,0,0|1,0,1]=4 11056 B13R0.195 CCCCCC(C)OC(C)CCCC 7a_100000687866_200011218191 [0,2,0,0,0,0|1,0,1]=4 11057 B13R0.195 CCCCCC(C)OC(C)CCCC 7a_100011215632_200011215066 [0,2,0,0,0,0|1,0,1]=4 11058 B13R0.195 CCCCCC(C)OC(C)CCCCl 34a_200000718107_200011218191 [0,2,0,0,0,0|1,0,1]=4 11059 B13R0.195 CCCCCC(C)OC(C)CCCCl 7a_200000718107_200011218191 [0,2,0,0,0,0|1,0,1]=4 11060 B13R0.195 CCCCCC(C)OC(C)COCC 34a_100000718985_200011218191 [0,2,0,0,0,0|1,0,1]=4 11061 B13R0.195 CCCCCC(C)OC(C)COCC 7a_100000718985_200011218191 [0,2,0,0,0,0|1,0,1]=4 11062 B13R0.195 CCCCN(C)CC(=O)NCCOC 2230a_100000207549_100000183275 [0,2,0,0,0,0|2,0,0]=4 11063 B13R0.195 CCCCN(C)CC(=O)NCCOC 2230a_100020672463_100000210211 [0,2,0,0,0,0|2,0,0]=4 11064 B13R0.195 CCCCN(C)CC(=O)NCCOC 269982a_100000207549_100000183275 [0,2,0,0,0,0|2,0,0]=4 11065 B13R0.195 CCCCN(C)CC(=O)NCCOC 269982a_100020672463_100000210211 [0,2,0,0,0,0|2,0,0]=4 11066 B13R0.195 CCCCN(C)CC(=O)OCCOC 2230a_100000207549_200000040189 [0,2,0,0,0,0|1,0,0]=3 11067 B13R0.195 CCCCN(C)CC(=O)OCCOC 269982a_100000207549_200000040189 [0,2,0,0,0,0|1,0,0]=3 11068 B13R0.195 CCCCNC(=O)CC(=O)CCCC 1458a_100000210183_100000182744 [0,2,0,0,0,0|1,0,0]=3 11069 B13R0.195 CCCCNC(=O)CC(=O)CCOC 1458a_100000749529_100000182744 [0,2,0,0,0,0|1,0,1]=4 11070 B13R0.195 CCCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000182744 [0,2,0,0,0,0|1,0,1]=4 11071 B13R0.195 CCCCNC(=O)CC(=O)COCC 1458a_100000211967_100000182744 [0,2,0,0,0,0|1,0,1]=4 11072 B13R0.195 CCCCNC(=O)CC(=O)CSCC 1458a_100000230394_100000182744 [0,2,0,0,0,0|1,0,1]=4 11073 B13R0.195 CCCCNC(=O)CN(C)CCCC 2230a_100000207549_100000182744 [0,2,0,0,0,0|1,0,0]=3 11074 B13R0.195 CCCCNC(=O)CN(C)CCCC 2230a_200000213093_100000210211 [0,2,0,0,0,0|1,0,0]=3 11075 B13R0.195 CCCCNC(=O)CN(C)CCCC 269982a_100000207549_100000182744 [0,2,0,0,0,0|1,0,0]=3 11076 B13R0.195 CCCCNC(=O)CN(C)CCCC 269982a_200000213093_100000210211 [0,2,0,0,0,0|1,0,0]=3 11077 B13R0.195 CCCCNC(=O)CN(C)CCCF 2230a_200000213093_100011934791 [0,2,0,0,0,0|2,0,0]=4 11078 B13R0.195 CCCCNC(=O)CN(C)CCCF 269982a_200000213093_100011934791 [0,2,0,0,0,0|2,0,0]=4 11079 B13R0.195 CCCCNC(=O)CN(C)CCCO 2230a_100000213112_100000182744 [0,2,0,0,0,0|2,0,0]=4 11080 B13R0.195 CCCCNC(=O)CN(C)CCCO 2230a_200000213093_100000230001 [0,2,0,0,0,0|2,0,0]=4 11081 B13R0.195 CCCCNC(=O)CN(C)CCCO 269982a_100000213112_100000182744 [0,2,0,0,0,0|2,0,0]=4 11082 B13R0.195 CCCCNC(=O)CN(C)CCCO 269982a_200000213093_100011215043 [0,2,0,0,0,0|2,0,0]=4 11083 B13R0.195 CCCCNC(=O)CN(C)CCOC 2230a_100000743101_100000182744 [0,2,0,0,0,0|2,0,0]=4 11084 B13R0.195 CCCCNC(=O)CN(C)CCOC 2230a_200000213093_100011201679 [0,2,0,0,0,0|2,0,0]=4 11085 B13R0.195 CCCCNC(=O)CN(C)CCOC 240690a_100000102301_100015184299 [0,2,0,0,0,0|2,0,0]=4 11086 B13R0.195 CCCCNC(=O)CN(C)CCOC 269982a_100000743101_100000182744 [0,2,0,0,0,0|2,0,0]=4 11087 B13R0.195 CCCCNC(=O)CN(C)CCOC 269982a_200000213093_100000233755 [0,2,0,0,0,0|2,0,0]=4 11088 B13R0.195 CCCCNC(=O)CN(C)CCOC 527a_100000102301_100015184299 [0,2,0,0,0,0|2,0,0]=4 11089 B13R0.195 CCCCNC(=O)CN(C)CCSC 2230a_100000686725_100000182744 [0,2,0,0,0,0|2,0,0]=4 11090 B13R0.195 CCCCNC(=O)CN(C)CCSC 2230a_200000213093_100000751147 [0,2,0,0,0,0|2,0,0]=4 11091 B13R0.195 CCCCNC(=O)CN(C)CCSC 269982a_100000686725_100000182744 [0,2,0,0,0,0|2,0,0]=4 11092 B13R0.195 CCCCNC(=O)CN(C)CCSC 269982a_200000213093_100000212216 [0,2,0,0,0,0|2,0,0]=4 11093 B13R0.195 CCCCNC(=O)CN(C)COCC 269982a_200000213093_100000739092 [0,2,0,0,0,0|2,0,0]=4 11094 B13R0.195 CCCCNC(=O)NC(C)CCCC 2708a_100000102301_100000126638 [0,2,0,0,0,0|1,0,0]=3 11095 B13R0.195 CCCCNC(=O)NC(C)CCCC 2708a_100000126638_100000102301 [0,2,0,0,0,0|1,0,0]=3 11096 B13R0.195 CCCCNC(=O)NC(C)CCCC 273464a_100000102301_100000126638 [0,2,0,0,0,0|1,0,0]=3 11097 B13R0.195 CCCCNC(=O)NC(C)CCCC 273464a_100000126638_100000102301 [0,2,0,0,0,0|1,0,0]=3 11098 B13R0.195 CCCCNC(=O)NC(C)CCCC 512a_100000102301_100000126638 [0,2,0,0,0,0|1,0,0]=3 11099 B13R0.195 CCCCNC(=O)NC(C)CCCC 512a_100000126638_100000102301 [0,2,0,0,0,0|1,0,0]=3 11100 B13R0.195 CCCCOC(=O)CC(=NNCC)C 4a_100000756455_200000022843 [0,2,0,0,0,0|1,0,1]=4 11101 B13R0.195 CCCCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000211628 [0,2,0,0,0,0|0,0,2]=4 11102 B13R0.195 CCCCOC(=O)CC(=O)CCCC 1458a_100000210183_100000211628 [0,2,0,0,0,0|0,0,0]=2 11103 B13R0.195 CCCCOC(=O)CC(=O)CCOC 1458a_100000749529_100000211628 [0,2,0,0,0,0|0,0,1]=3 11104 B13R0.195 CCCCOC(=O)CC(=O)CCSC 1458a_100000174002_100000211628 [0,2,0,0,0,0|0,0,1]=3 11105 B13R0.195 CCCCOC(=O)CC(=O)COCC 1458a_100000211967_100000211628 [0,2,0,0,0,0|0,0,1]=3 11106 B13R0.195 CCCCOC(=O)CC(=O)CSCC 1458a_100000230394_100000211628 [0,2,0,0,0,0|0,0,1]=3 11107 B13R0.195 CCCCOC(=O)CN(C)CCC#N 2230a_100000184479_100000211628 [0,2,0,0,0,0|1,0,1]=4 11108 B13R0.195 CCCCOC(=O)CN(C)CCCC 2230a_100000207549_100000211628 [0,2,0,0,0,0|0,0,0]=2 11109 B13R0.195 CCCCOC(=O)CN(C)CCCC 269982a_100000207549_100000211628 [0,2,0,0,0,0|0,0,0]=2 11110 B13R0.195 CCCCOC(=O)CN(C)CCCO 2230a_100000213112_100000211628 [0,2,0,0,0,0|1,0,0]=3 11111 B13R0.195 CCCCOC(=O)CN(C)CCCO 269982a_100000213112_100000211628 [0,2,0,0,0,0|1,0,0]=3 11112 B13R0.195 CCCCOC(=O)CN(C)CCOC 2230a_100000743101_100000211628 [0,2,0,0,0,0|1,0,0]=3 11113 B13R0.195 CCCCOC(=O)CN(C)CCOC 269982a_100000743101_100000211628 [0,2,0,0,0,0|1,0,0]=3 11114 B13R0.195 CCCCOC(=O)CN(C)CCSC 2230a_100000686725_100000211628 [0,2,0,0,0,0|1,0,0]=3 11115 B13R0.195 CCCCOC(=O)CN(C)CCSC 269982a_100000686725_100000211628 [0,2,0,0,0,0|1,0,0]=3 11116 B13R0.195 CCOCC(=O)CC(=O)OCCOC 1458a_100000211967_200000040189 [0,2,0,0,0,0|1,0,1]=4 11117 B13R0.195 CCSCC(=O)CC(=O)OCCOC 1458a_100000230394_200000040189 [0,2,0,0,0,0|1,0,1]=4 11118 B13R0.195 COCCOC(=O)CC(=O)CCOC 1458a_100000749529_200000040189 [0,2,0,0,0,0|1,0,1]=4 11119 B13R0.195 COCCOC(=O)CC(=O)CCSC 1458a_100000174002_200000040189 [0,2,0,0,0,0|1,0,1]=4 11120 B13R0.195 COCCOC(=O)CN(C)CCCO 2230a_100000213112_200000040189 [0,2,0,0,0,0|2,0,0]=4 11121 B13R0.195 COCCOC(=O)CN(C)CCCO 269982a_100000213112_200000040189 [0,2,0,0,0,0|2,0,0]=4 11122 B13R0.195 COCCOC(=O)CN(C)CCOC 2230a_100000743101_200000040189 [0,2,0,0,0,0|2,0,0]=4 11123 B13R0.195 COCCOC(=O)CN(C)CCOC 269982a_100000743101_200000040189 [0,2,0,0,0,0|2,0,0]=4 11124 B13R0.195 COCCOC(=O)CN(C)CCSC 2230a_100000686725_200000040189 [0,2,0,0,0,0|2,0,0]=4 11125 B13R0.195 COCCOC(=O)CN(C)CCSC 269982a_100000686725_200000040189 [0,2,0,0,0,0|2,0,0]=4 11126 B13R0.278 C#CC(CCCCC)OCCCCC 34a_100011216489_100000718602 [0,2,0,0,0,0|1,0,1]=4 11127 B13R0.278 C#CC(CCCCC)OCCCCC 7a_100011216489_100000210326 [0,2,0,0,0,0|1,0,1]=4 11128 B13R0.278 C#CC(CCCCC)OCCCCF 34a_100011216489_100000729493 [0,2,0,0,0,0|1,0,1]=4 11129 B13R0.278 C#CC(CCCCC)OCCCCF 7a_100011216489_100000729493 [0,2,0,0,0,0|1,0,1]=4 11130 B13R0.278 C#CC(CCCCC)OCCCCO 34a_100011216489_100011216708 [0,2,0,0,0,0|1,0,1]=4 11131 B13R0.278 C#CC(CCCCC)OCCCCO 7a_100011216489_100000210776 [0,2,0,0,0,0|1,0,1]=4 11132 B13R0.278 C#CC(CCCCC)OCCCOC 34a_100011216489_100000740836 [0,2,0,0,0,0|1,0,1]=4 11133 B13R0.278 C#CC(CCCCC)OCCCOC 7a_100011216489_100000740836 [0,2,0,0,0,0|1,0,1]=4 11134 B13R0.278 C#CC(CCCCC)OCCOCC 34a_100011216489_100000210147 [0,2,0,0,0,0|1,0,1]=4 11135 B13R0.278 C#CC(CCCCC)OCCOCC 7a_100011216489_100011215890 [0,2,0,0,0,0|1,0,1]=4 11136 B13R0.278 C#CC(CCCCC)OCCSCC 34a_100011216489_100000757381 [0,2,0,0,0,0|1,0,1]=4 11137 B13R0.278 C#CC(CCCCC)OCCSCC 7a_100011216489_100000757381 [0,2,0,0,0,0|1,0,1]=4 11138 B13R0.278 C#CC(CCCCCBr)OCCCC 34a_200010408556_100000210210 [0,2,0,0,0,0|1,0,1]=4 11139 B13R0.278 C#CC(CCCCCBr)OCCCC 7a_200010408556_100000210211 [0,2,0,0,0,0|1,0,1]=4 11140 B13R0.278 C=CC(=NNCCCC)CCCCC 4a_100025702795_100011217817 [0,2,0,0,0,0|2,0,0]=4 11141 B13R0.278 C=CC(CCCCC)OCCCCC 34a_100011216863_100000718602 [0,2,0,0,0,0|1,0,1]=4 11142 B13R0.278 C=CC(CCCCC)OCCCCC 7a_100011216863_100000210326 [0,2,0,0,0,0|1,0,1]=4 11143 B13R0.278 C=CC(CCCCC)OCCCCF 34a_100011216863_100000729493 [0,2,0,0,0,0|1,0,1]=4 11144 B13R0.278 C=CC(CCCCC)OCCCCF 7a_100011216863_100000729493 [0,2,0,0,0,0|1,0,1]=4 11145 B13R0.278 C=CC(CCCCC)OCCCCO 34a_100011216863_100011216708 [0,2,0,0,0,0|1,0,1]=4 11146 B13R0.278 C=CC(CCCCC)OCCCCO 7a_100011216863_100000210776 [0,2,0,0,0,0|1,0,1]=4 11147 B13R0.278 C=CC(CCCCC)OCCCOC 34a_100011216863_100000740836 [0,2,0,0,0,0|1,0,1]=4 11148 B13R0.278 C=CC(CCCCC)OCCCOC 7a_100011216863_100000740836 [0,2,0,0,0,0|1,0,1]=4 11149 B13R0.278 C=CC(CCCCC)OCCOCC 34a_100011216863_100000210147 [0,2,0,0,0,0|1,0,1]=4 11150 B13R0.278 C=CC(CCCCC)OCCOCC 7a_100011216863_100011215890 [0,2,0,0,0,0|1,0,1]=4 11151 B13R0.278 C=CC(CCCCC)OCCSCC 34a_100011216863_100000757381 [0,2,0,0,0,0|1,0,1]=4 11152 B13R0.278 C=CC(CCCCC)OCCSCC 7a_100011216863_100000757381 [0,2,0,0,0,0|1,0,1]=4 11153 B13R0.278 C=CC(CCCCCC)OCCCC 34a_200011215977_100000210210 [0,2,0,0,0,0|1,0,1]=4 11154 B13R0.278 C=CC(CCCCCC)OCCCC 7a_200011215977_100000210211 [0,2,0,0,0,0|1,0,1]=4 11155 B13R0.278 CCCCCC(=NNCCCC)CC 4a_100025702795_100011215316 [0,2,0,0,0,0|2,0,0]=4 11156 B13R0.278 CCCCCC(CC)OCCCCF 34a_100011215405_100000729493 [0,2,0,0,0,0|1,0,1]=4 11157 B13R0.278 CCCCCC(CC)OCCCCF 7a_100011215405_100000729493 [0,2,0,0,0,0|1,0,1]=4 11158 B13R0.278 CCCCCC(CC)OCCCCO 34a_100011215405_100011216708 [0,2,0,0,0,0|1,0,1]=4 11159 B13R0.278 CCCCCC(CC)OCCCCO 7a_100011215405_100000210776 [0,2,0,0,0,0|1,0,1]=4 11160 B13R0.278 CCCCCC(CC)OCCCOC 34a_100011215405_100000740836 [0,2,0,0,0,0|1,0,1]=4 11161 B13R0.278 CCCCCC(CC)OCCCOC 7a_100011215405_100000740836 [0,2,0,0,0,0|1,0,1]=4 11162 B13R0.278 CCCCCC(CC)OCCOCC 34a_100011215405_100000210147 [0,2,0,0,0,0|1,0,1]=4 11163 B13R0.278 CCCCCC(CC)OCCOCC 7a_100011215405_100011215890 [0,2,0,0,0,0|1,0,1]=4 11164 B13R0.278 CCCCCC(CC)OCCSCC 34a_100011215405_100000757381 [0,2,0,0,0,0|1,0,1]=4 11165 B13R0.278 CCCCCC(CC)OCCSCC 7a_100011215405_100000757381 [0,2,0,0,0,0|1,0,1]=4 11166 B13R0.278 CCCCCCC(CC)OCCCC 34a_100011215785_100000210210 [0,2,0,0,0,0|1,0,1]=4 11167 B13R0.278 CCCCCCC(CC)OCCCC 7a_100011215785_100000210211 [0,2,0,0,0,0|1,0,1]=4 11168 B13R0.278 CCCCCOC(CC)CCCCC 34a_100011215405_100000718602 [0,2,0,0,0,0|1,0,1]=4 11169 B13R0.278 CCCCCOC(CC)CCCCC 7a_100011215405_100000210326 [0,2,0,0,0,0|1,0,1]=4 11170 B13R0.330 C#CCCCCC(=O)CC(C)CCC 1458a_100000696528_100011216630 [0,2,0,0,0,0|1,0,1]=4 11171 B13R0.330 C#CCCCCC(=O)CC(C)CCC 1458a_100000748435_100010269958 [0,2,0,0,0,0|1,0,1]=4 11172 B13R0.330 C#CCCCCC(=O)NC(C)CCC 11a_100000741246_100000696528 [0,2,0,0,0,0|1,0,1]=4 11173 B13R0.330 C#CCCCCC(=O)NC(C)CCC 1626a_100000741246_100000696528 [0,2,0,0,0,0|1,0,1]=4 11174 B13R0.330 C#CCCCCC(=O)NC(C)CCC 240690a_100000741246_100000696528 [0,2,0,0,0,0|1,0,1]=4 11175 B13R0.330 C#CCCCCC(=O)NC(C)CCC 527a_100000741246_100000696528 [0,2,0,0,0,0|1,0,1]=4 11176 B13R0.330 C#CCCCNC(=O)CC(C)CCC 11a_100000718082_100000748435 [0,2,0,0,0,0|1,0,1]=4 11177 B13R0.330 C#CCCCNC(=O)CC(C)CCC 1626a_100000718082_100000748435 [0,2,0,0,0,0|1,0,1]=4 11178 B13R0.330 C#CCCCNC(=O)CC(C)CCC 240690a_100000718082_100000748435 [0,2,0,0,0,0|1,0,1]=4 11179 B13R0.330 C#CCCCNC(=O)CC(C)CCC 527a_100000718082_100000748435 [0,2,0,0,0,0|1,0,1]=4 11180 B13R0.330 C=C(CCC)CC(=O)CCCCCC 1458a_100000138376_100000210757 [0,2,0,0,0,0|1,0,1]=4 11181 B13R0.330 C=C(CCC)CC(=O)CCCCCF 1458a_100000138376_100000729378 [0,2,0,0,0,0|1,0,1]=4 11182 B13R0.330 C=C(CCC)CC(=O)CCCCCO 1458a_100000138376_100000746330 [0,2,0,0,0,0|1,0,1]=4 11183 B13R0.330 C=C(CCC)CC(=O)CCCCOC 1458a_100000138376_100000755781 [0,2,0,0,0,0|1,0,1]=4 11184 B13R0.330 C=C(CCC)CC(=O)CCCOCC 1458a_100000138376_100012232248 [0,2,0,0,0,0|1,0,1]=4 11185 B13R0.330 C=C(CCC)CC(=O)CCOCCC 1458a_100000138376_100011215938 [0,2,0,0,0,0|1,0,1]=4 11186 B13R0.330 C=C(CCC)CC(=O)COCCCC 1458a_100000138376_100011995733 [0,2,0,0,0,0|0,0,1]=3 11187 B13R0.330 C=C(CCC)CC(=O)NCCCCC 11a_100000209983_100000138376 [0,2,0,0,0,0|1,0,1]=4 11188 B13R0.330 C=C(CCC)CC(=O)NCCCCC 240690a_100000209983_100000138376 [0,2,0,0,0,0|1,0,1]=4 11189 B13R0.330 C=C(CCC)CC(=O)NCCCCC 527a_100000209983_100000138376 [0,2,0,0,0,0|1,0,1]=4 11190 B13R0.330 C=C(CCC)CC(=O)NCCCCO 240690a_100000750430_100000138376 [0,2,0,0,0,0|1,0,1]=4 11191 B13R0.330 C=C(CCC)CC(=O)NCCCCO 527a_100000750430_100000138376 [0,2,0,0,0,0|1,0,1]=4 11192 B13R0.330 C=C(CCC)CC(=O)NCCCOC 240690a_100150723488_100000138376 [0,2,0,0,0,0|1,0,1]=4 11193 B13R0.330 C=C(CCC)CC(=O)NCCCOC 527a_100150723488_100000138376 [0,2,0,0,0,0|1,0,1]=4 11194 B13R0.330 C=C(CCC)CC(=O)NCCCSC 11a_100000749238_100000138376 [0,2,0,0,0,0|1,0,1]=4 11195 B13R0.330 C=C(CCC)CC(=O)NCCCSC 240690a_100000749238_100000138376 [0,2,0,0,0,0|1,0,1]=4 11196 B13R0.330 C=C(CCC)CC(=O)NCCCSC 527a_100000749238_100000138376 [0,2,0,0,0,0|1,0,1]=4 11197 B13R0.330 C=C(CCC)CC(=O)NCCOCC 11a_100011200944_100000138376 [0,2,0,0,0,0|1,0,1]=4 11198 B13R0.330 C=C(CCC)CC(=O)NCCOCC 240690a_100011200944_100000138376 [0,2,0,0,0,0|1,0,1]=4 11199 B13R0.330 C=C(CCC)CC(=O)NCCOCC 527a_100011200944_100000138376 [0,2,0,0,0,0|1,0,1]=4 11200 B13R0.330 C=C(CCC)CC(=O)NCCSCC 11a_100000106463_100000138376 [0,2,0,0,0,0|1,0,1]=4 11201 B13R0.330 C=C(CCC)CC(=O)NCCSCC 240690a_100000106463_100000138376 [0,2,0,0,0,0|1,0,1]=4 11202 B13R0.330 C=C(CCC)CC(=O)NCCSCC 527a_100000106463_100000138376 [0,2,0,0,0,0|1,0,1]=4 11203 B13R0.330 C=C(CCC)CC(=O)NNCCCC 22a_100025702795_100000138376 [0,2,0,0,0,0|1,0,1]=4 11204 B13R0.330 C=CCCCCC(=O)CC(C)CCC 1458a_100000748435_100011215482 [0,2,0,0,0,0|1,0,1]=4 11205 B13R0.330 C=CCCCCC(=O)CC(C)CCC 1458a_100011215552_100011216630 [0,2,0,0,0,0|1,0,1]=4 11206 B13R0.330 C=CCCCCC(=O)NC(C)CCC 11a_100000741246_100011215552 [0,2,0,0,0,0|1,0,1]=4 11207 B13R0.330 C=CCCCCC(=O)NC(C)CCC 1626a_100000741246_100011215552 [0,2,0,0,0,0|1,0,1]=4 11208 B13R0.330 C=CCCCCC(=O)NC(C)CCC 240690a_100000741246_100011215552 [0,2,0,0,0,0|1,0,1]=4 11209 B13R0.330 C=CCCCCC(=O)NC(C)CCC 527a_100000741246_100011215552 [0,2,0,0,0,0|1,0,1]=4 11210 B13R0.330 C=CCCCNC(=O)CC(C)CCC 11a_100000700776_100000748435 [0,2,0,0,0,0|1,0,1]=4 11211 B13R0.330 C=CCCCNC(=O)CC(C)CCC 1626a_100000700776_100000748435 [0,2,0,0,0,0|1,0,1]=4 11212 B13R0.330 C=CCCCNC(=O)CC(C)CCC 240690a_100000700776_100000748435 [0,2,0,0,0,0|1,0,1]=4 11213 B13R0.330 C=CCCCNC(=O)CC(C)CCC 527a_100000700776_100000748435 [0,2,0,0,0,0|1,0,1]=4 11214 B13R0.330 CC/C=C\CCC(=O)CC(C)CCC 1458a_100000748435_100015370543 [0,2,0,0,0,0|1,0,1]=4 11215 B13R0.330 CCC/C=C/CC(=O)CC(C)CCC 1458a_200016266809_100011216630 [0,2,0,0,0,0|1,0,1]=4 11216 B13R0.330 CCC/C=C/CC(=O)NC(C)CCC 11a_100000741246_200016266809 [0,2,0,0,0,0|1,0,1]=4 11217 B13R0.330 CCC/C=C/CC(=O)NC(C)CCC 1626a_100000741246_200016266809 [0,2,0,0,0,0|1,0,1]=4 11218 B13R0.330 CCC/C=C/CC(=O)NC(C)CCC 240690a_100000741246_200016266809 [0,2,0,0,0,0|1,0,1]=4 11219 B13R0.330 CCC/C=C/CC(=O)NC(C)CCC 527a_100000741246_200016266809 [0,2,0,0,0,0|1,0,1]=4 11220 B13R0.330 CCCC(=CC(=O)CCCCCF)C 1458a_100020676950_100000729378 [0,2,0,0,0,0|1,0,1]=4 11221 B13R0.330 CCCC(=CC(=O)CCCCCO)C 1458a_100020676950_100000746330 [0,2,0,0,0,0|1,0,1]=4 11222 B13R0.330 CCCC(=CC(=O)CCCCOC)C 1458a_100020676950_100000755781 [0,2,0,0,0,0|1,0,1]=4 11223 B13R0.330 CCCC(=CC(=O)CCCOCC)C 1458a_100020676950_100012232248 [0,2,0,0,0,0|1,0,1]=4 11224 B13R0.330 CCCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747444 [0,2,0,0,0,0|1,0,1]=4 11225 B13R0.330 CCCC(=O)CC(=O)COCCOC 1458a_100000211095_100000747444 [0,2,0,0,0,0|1,0,1]=4 11226 B13R0.330 CCCC(=O)CC(=O)NCCCOC 1458a_100000211992_100000183178 [0,2,0,0,0,0|1,0,1]=4 11227 B13R0.330 CCCC(=O)CC(=O)OCCOCC 1458a_100000211992_200000101388 [0,2,0,0,0,0|0,0,1]=3 11228 B13R0.330 CCCC(C)CC(=O)CCCCC#N 1458a_100000748435_100000211819 [0,2,0,0,0,0|1,0,1]=4 11229 B13R0.330 CCCC(C)CC(=O)CCCCCF 1458a_100000748435_100000729378 [0,2,0,0,0,0|1,0,0]=3 11230 B13R0.330 CCCC(C)CC(=O)CCCCCO 1458a_100000748435_100000746330 [0,2,0,0,0,0|1,0,0]=3 11231 B13R0.330 CCCC(C)CC(=O)CCCCCO 1458a_100102619762_100011216630 [0,2,0,0,0,0|1,0,0]=3 11232 B13R0.330 CCCC(C)CC(=O)CCCCOC 1458a_100000748435_100000755781 [0,2,0,0,0,0|1,0,0]=3 11233 B13R0.330 CCCC(C)CC(=O)CCCOCC 1458a_100000748435_100012232248 [0,2,0,0,0,0|1,0,0]=3 11234 B13R0.330 CCCC(C)CC(=O)CCOCCO 1458a_100000748435_100011215305 [0,2,0,0,0,0|2,0,0]=4 11235 B13R0.330 CCCC(C)CC(=O)CCOCCO 1458a_100011229844_100011216630 [0,2,0,0,0,0|2,0,0]=4 11236 B13R0.330 CCCC(C)CC(=O)COCCOC 1458a_100000211095_100011216630 [0,2,0,0,0,0|1,0,0]=3 11237 B13R0.330 CCCC(C)CC(=O)NCCCCO 240690a_100000750430_100000748435 [0,2,0,0,0,0|1,0,0]=3 11238 B13R0.330 CCCC(C)CC(=O)NCCCCO 527a_100000750430_100000748435 [0,2,0,0,0,0|1,0,0]=3 11239 B13R0.330 CCCC(C)CC(=O)NCCCOC 1626a_100150723488_100000748435 [0,2,0,0,0,0|1,0,0]=3 11240 B13R0.330 CCCC(C)CC(=O)NCCCOC 240690a_100150723488_100000748435 [0,2,0,0,0,0|1,0,0]=3 11241 B13R0.330 CCCC(C)CC(=O)NCCCOC 527a_100150723488_100000748435 [0,2,0,0,0,0|1,0,0]=3 11242 B13R0.330 CCCC(C)CC(=O)NCCCSC 11a_100000749238_100000748435 [0,2,0,0,0,0|1,0,0]=3 11243 B13R0.330 CCCC(C)CC(=O)NCCCSC 1626a_100000749238_100000748435 [0,2,0,0,0,0|1,0,0]=3 11244 B13R0.330 CCCC(C)CC(=O)NCCCSC 240690a_100000749238_100000748435 [0,2,0,0,0,0|1,0,0]=3 11245 B13R0.330 CCCC(C)CC(=O)NCCCSC 527a_100000749238_100000748435 [0,2,0,0,0,0|1,0,0]=3 11246 B13R0.330 CCCC(C)CC(=O)NCCOCC 11a_100011200944_100000748435 [0,2,0,0,0,0|1,0,0]=3 11247 B13R0.330 CCCC(C)CC(=O)NCCOCC 1626a_102516460346_100000748435 [0,2,0,0,0,0|1,0,0]=3 11248 B13R0.330 CCCC(C)CC(=O)NCCOCC 240690a_100011200944_100000748435 [0,2,0,0,0,0|1,0,0]=3 11249 B13R0.330 CCCC(C)CC(=O)NCCOCC 527a_100011200944_100000748435 [0,2,0,0,0,0|1,0,0]=3 11250 B13R0.330 CCCC(C)CC(=O)NCCSCC 11a_100000106463_100000748435 [0,2,0,0,0,0|1,0,0]=3 11251 B13R0.330 CCCC(C)CC(=O)NCCSCC 1626a_100000106463_100000748435 [0,2,0,0,0,0|1,0,0]=3 11252 B13R0.330 CCCC(C)CC(=O)NCCSCC 240690a_100000106463_100000748435 [0,2,0,0,0,0|1,0,0]=3 11253 B13R0.330 CCCC(C)CC(=O)NCCSCC 527a_100000106463_100000748435 [0,2,0,0,0,0|1,0,0]=3 11254 B13R0.330 CCCC(C)CC(=O)NNCCOC 22a_100000741390_100000748435 [0,2,0,0,0,0|2,0,0]=4 11255 B13R0.330 CCCC(C)NC(=O)CCCCCO 240690a_100000741246_100102619762 [0,2,0,0,0,0|1,0,0]=3 11256 B13R0.330 CCCC(C)NC(=O)CCOCCO 1626a_100000741246_100011229844 [0,2,0,0,0,0|2,0,0]=4 11257 B13R0.330 CCCC(C)NC(=O)CCOCCO 240690a_100000741246_100011229844 [0,2,0,0,0,0|2,0,0]=4 11258 B13R0.330 CCCC(C)NC(=O)COCCOC 11a_100000741246_100000211095 [0,2,0,0,0,0|2,0,0]=4 11259 B13R0.330 CCCC(C)NC(=O)COCCOC 1626a_100000741246_100000211095 [0,2,0,0,0,0|2,0,0]=4 11260 B13R0.330 CCCC(C)NC(=O)COCCOC 240690a_100000741246_100000211095 [0,2,0,0,0,0|2,0,0]=4 11261 B13R0.330 CCCC(C)NC(=O)COCCOC 527a_100000741246_100000211095 [0,2,0,0,0,0|2,0,0]=4 11262 B13R0.330 CCCC(C)NC(=O)NCCCCO 2708a_100000741246_100000750430 [0,2,0,0,0,0|2,0,0]=4 11263 B13R0.330 CCCC(C)NC(=O)NCCCCO 2708a_100000750430_100000741246 [0,2,0,0,0,0|2,0,0]=4 11264 B13R0.330 CCCC(C)NC(=O)NCCCCO 273464a_100000741246_100000750430 [0,2,0,0,0,0|2,0,0]=4 11265 B13R0.330 CCCC(C)NC(=O)NCCCCO 512a_100000741246_100000750430 [0,2,0,0,0,0|2,0,0]=4 11266 B13R0.330 CCCC(C)NC(=O)NCCCCO 512a_100000750430_100000741246 [0,2,0,0,0,0|2,0,0]=4 11267 B13R0.330 CCCC(C)NC(=O)NCCCOC 2708a_100000741246_100150723488 [0,2,0,0,0,0|2,0,0]=4 11268 B13R0.330 CCCC(C)NC(=O)NCCCOC 2708a_100150723488_100000741246 [0,2,0,0,0,0|2,0,0]=4 11269 B13R0.330 CCCC(C)NC(=O)NCCCOC 273464a_100000741246_100150723488 [0,2,0,0,0,0|2,0,0]=4 11270 B13R0.330 CCCC(C)NC(=O)NCCCOC 512a_100000741246_100150723488 [0,2,0,0,0,0|2,0,0]=4 11271 B13R0.330 CCCC(C)NC(=O)NCCCSC 2708a_100000741246_100000749238 [0,2,0,0,0,0|2,0,0]=4 11272 B13R0.330 CCCC(C)NC(=O)NCCCSC 2708a_100000749238_100000741246 [0,2,0,0,0,0|2,0,0]=4 11273 B13R0.330 CCCC(C)NC(=O)NCCCSC 273464a_100000741246_100000749238 [0,2,0,0,0,0|2,0,0]=4 11274 B13R0.330 CCCC(C)NC(=O)NCCCSC 512a_100000741246_100000749238 [0,2,0,0,0,0|2,0,0]=4 11275 B13R0.330 CCCC(C)NC(=O)NCCCSC 512a_100000749238_100000741246 [0,2,0,0,0,0|2,0,0]=4 11276 B13R0.330 CCCC(C)NC(=O)NCCOCC 2708a_100000741246_100011200944 [0,2,0,0,0,0|2,0,0]=4 11277 B13R0.330 CCCC(C)NC(=O)NCCOCC 2708a_100011200944_100000741246 [0,2,0,0,0,0|2,0,0]=4 11278 B13R0.330 CCCC(C)NC(=O)NCCOCC 273464a_100000741246_102516460346 [0,2,0,0,0,0|2,0,0]=4 11279 B13R0.330 CCCC(C)NC(=O)NCCOCC 512a_100000741246_100011200944 [0,2,0,0,0,0|2,0,0]=4 11280 B13R0.330 CCCC(C)NC(=O)NCCOCC 512a_100011200944_100000741246 [0,2,0,0,0,0|2,0,0]=4 11281 B13R0.330 CCCC(C)NC(=O)NCCSCC 2708a_100000106463_100000741246 [0,2,0,0,0,0|2,0,0]=4 11282 B13R0.330 CCCC(C)NC(=O)NCCSCC 2708a_100000741246_100000106463 [0,2,0,0,0,0|2,0,0]=4 11283 B13R0.330 CCCC(C)NC(=O)NCCSCC 273464a_100000741246_100000106463 [0,2,0,0,0,0|2,0,0]=4 11284 B13R0.330 CCCC(C)NC(=O)NCCSCC 512a_100000106463_100000741246 [0,2,0,0,0,0|2,0,0]=4 11285 B13R0.330 CCCC(C)NC(=O)NCCSCC 512a_100000741246_100000106463 [0,2,0,0,0,0|2,0,0]=4 11286 B13R0.330 CCCCC=CC(=O)CC(=O)CCC 1458a_100016266645_100000747444 [0,2,0,0,0,0|1,0,1]=4 11287 B13R0.330 CCCCC=CC(=O)CC(C)CCC 1458a_100016266645_100011216630 [0,2,0,0,0,0|1,0,0]=3 11288 B13R0.330 CCCCC=CC(=O)NC(C)CCC 11a_100000741246_100016266645 [0,2,0,0,0,0|1,0,1]=4 11289 B13R0.330 CCCCC=CC(=O)NC(C)CCC 1626a_100000741246_100016266645 [0,2,0,0,0,0|1,0,1]=4 11290 B13R0.330 CCCCC=CC(=O)NC(C)CCC 240690a_100000741246_100016266645 [0,2,0,0,0,0|1,0,1]=4 11291 B13R0.330 CCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210757 [0,2,0,0,0,0|1,0,1]=4 11292 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [0,2,0,0,0,0|1,0,1]=4 11293 B13R0.330 CCCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210757 [0,2,0,0,0,0|1,0,0]=3 11294 B13R0.330 CCCCCCC(=O)CC(C)CCC 1458a_100102632555_100011216630 [0,2,0,0,0,0|1,0,0]=3 11295 B13R0.330 CCCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210757 [0,2,0,0,0,0|2,0,0]=4 11296 B13R0.330 CCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210757 [0,2,0,0,0,0|2,0,0]=4 11297 B13R0.330 CCCCCCC(=O)NC(C)CCC 11a_100000741246_100102632555 [0,2,0,0,0,0|1,0,0]=3 11298 B13R0.330 CCCCCCC(=O)NC(C)CCC 1626a_100000741246_100102632555 [0,2,0,0,0,0|1,0,0]=3 11299 B13R0.330 CCCCCCC(=O)NC(C)CCC 240690a_100000741246_100102632555 [0,2,0,0,0,0|1,0,0]=3 11300 B13R0.330 CCCCCCC(=O)NC(C)CCC 527a_100000741246_100102632555 [0,2,0,0,0,0|1,0,0]=3 11301 B13R0.330 CCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100102632555 [0,2,0,0,0,0|2,0,0]=4 11302 B13R0.330 CCCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100102632555 [0,2,0,0,0,0|2,0,0]=4 11303 B13R0.330 CCCCCCC(=O)N[C@H](C)COC 11a_100000764878_100102632555 [0,2,0,0,0,0|2,0,0]=4 11304 B13R0.330 CCCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100102632555 [0,2,0,0,0,0|2,0,0]=4 11305 B13R0.330 CCCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100102632555 [0,2,0,0,0,0|2,0,0]=4 11306 B13R0.330 CCCCCCC(=O)N[C@H](C)COC 527a_100000764878_100102632555 [0,2,0,0,0,0|2,0,0]=4 11307 B13R0.330 CCCCCCC(C)OC(C)CCC 34a_100000210265_100000766640 [0,2,0,0,0,0|1,0,1]=4 11308 B13R0.330 CCCCCCC(C)OC(C)CCC 34a_100000764384_100011215978 [0,2,0,0,0,0|1,0,1]=4 11309 B13R0.330 CCCCCCC(C)OC(C)CCC 7a_100000210265_100000766640 [0,2,0,0,0,0|1,0,1]=4 11310 B13R0.330 CCCCCCC(C)OC(C)CCC 7a_100000764384_100011215978 [0,2,0,0,0,0|1,0,1]=4 11311 B13R0.330 CCCCCNC(=O)C=C(C)CCC 11a_100000209983_100020676950 [0,2,0,0,0,0|1,0,1]=4 11312 B13R0.330 CCCCCNC(=O)C=C(C)CCC 1626a_100000209983_100020676950 [0,2,0,0,0,0|1,0,1]=4 11313 B13R0.330 CCCCCNC(=O)C=C(C)CCC 240690a_100000209983_100020676950 [0,2,0,0,0,0|1,0,1]=4 11314 B13R0.330 CCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230301 [0,2,0,0,0,0|1,0,1]=4 11315 B13R0.330 CCCCCNC(=O)CC(C)CCC 11a_100000209983_100000748435 [0,2,0,0,0,0|1,0,0]=3 11316 B13R0.330 CCCCCNC(=O)CC(C)CCC 1626a_100000209983_100000748435 [0,2,0,0,0,0|1,0,0]=3 11317 B13R0.330 CCCCCNC(=O)CC(C)CCC 240690a_100000209983_100000748435 [0,2,0,0,0,0|1,0,0]=3 11318 B13R0.330 CCCCCNC(=O)CC(C)CCC 527a_100000209983_100000748435 [0,2,0,0,0,0|1,0,0]=3 11319 B13R0.330 CCCCCNC(=O)CC(C)SCC 11a_100000209983_200011311441 [0,2,0,0,0,0|2,0,0]=4 11320 B13R0.330 CCCCCNC(=O)CC(C)SCC 1626a_100000209983_200011311441 [0,2,0,0,0,0|2,0,0]=4 11321 B13R0.330 CCCCCNC(=O)CC(C)SCC 240690a_100000209983_200011311441 [0,2,0,0,0,0|2,0,0]=4 11322 B13R0.330 CCCCCNC(=O)CC(C)SCC 527a_100000209983_200011311441 [0,2,0,0,0,0|2,0,0]=4 11323 B13R0.330 CCCCCNC(=O)CN(C)CCC 2230a_100000747261_100000230301 [0,2,0,0,0,0|2,0,0]=4 11324 B13R0.330 CCCCCNC(=O)CN(C)CCC 269982a_100000747261_100000230301 [0,2,0,0,0,0|2,0,0]=4 11325 B13R0.330 CCCCCNC(=O)CS(=O)CCC 11a_100000209983_100011387404 [0,2,0,0,0,0|2,0,0]=4 11326 B13R0.330 CCCCCNC(=O)CS(=O)CCC 1626a_100000209983_100011387404 [0,2,0,0,0,0|2,0,0]=4 11327 B13R0.330 CCCCCNC(=O)CS(=O)CCC 240690a_100000209983_100011387404 [0,2,0,0,0,0|2,0,0]=4 11328 B13R0.330 CCCCCNC(=O)CS(=O)CCC 527a_100000209983_100011387404 [0,2,0,0,0,0|2,0,0]=4 11329 B13R0.330 CCCCCNC(=O)NC(C)CCC 2708a_100000209983_100000741246 [0,2,0,0,0,0|1,0,0]=3 11330 B13R0.330 CCCCCNC(=O)NC(C)CCC 2708a_100000741246_100000209983 [0,2,0,0,0,0|1,0,0]=3 11331 B13R0.330 CCCCCNC(=O)NC(C)CCC 273464a_100000741246_100000209983 [0,2,0,0,0,0|1,0,0]=3 11332 B13R0.330 CCCCCNC(=O)NC(C)CCC 512a_100000209983_100000741246 [0,2,0,0,0,0|1,0,0]=3 11333 B13R0.330 CCCCCNC(=O)NC(C)CCC 512a_100000741246_100000209983 [0,2,0,0,0,0|1,0,0]=3 11334 B13R0.330 CCCCCNC(=O)N[C@H](C)CCO 2708a_100000209983_100000706166 [0,2,0,0,0,0|2,0,0]=4 11335 B13R0.330 CCCCCNC(=O)N[C@H](C)CCO 273464a_100000706166_100000209983 [0,2,0,0,0,0|2,0,0]=4 11336 B13R0.330 CCCCCNC(=O)N[C@H](C)CCO 512a_100000209983_100000706166 [0,2,0,0,0,0|2,0,0]=4 11337 B13R0.330 CCCCCNC(=O)N[C@H](C)CCO 512a_100000706166_100000209983 [0,2,0,0,0,0|2,0,0]=4 11338 B13R0.330 CCCCCNC(=O)N[C@H](C)COC 2708a_100000209983_100000764878 [0,2,0,0,0,0|2,0,0]=4 11339 B13R0.330 CCCCCNC(=O)N[C@H](C)COC 2708a_100000764878_100000209983 [0,2,0,0,0,0|2,0,0]=4 11340 B13R0.330 CCCCCNC(=O)N[C@H](C)COC 273464a_100000209983_100000764878 [0,2,0,0,0,0|2,0,0]=4 11341 B13R0.330 CCCCCNC(=O)N[C@H](C)COC 273464a_100000764878_100000209983 [0,2,0,0,0,0|2,0,0]=4 11342 B13R0.330 CCCCCNC(=O)N[C@H](C)COC 512a_100000209983_100000764878 [0,2,0,0,0,0|2,0,0]=4 11343 B13R0.330 CCCCCNC(=O)N[C@H](C)COC 512a_100000764878_100000209983 [0,2,0,0,0,0|2,0,0]=4 11344 B13R0.330 CCCCNNC(=O)CC(C)CCC 22a_100025702795_100000748435 [0,2,0,0,0,0|1,0,0]=3 11345 B13R0.330 CCCCNNC(=O)CC(C)SCC 22a_100025702795_200011311441 [0,2,0,0,0,0|2,0,0]=4 11346 B13R0.330 CCCCNNC(=O)CS(=O)CCC 22a_100025702795_100011387404 [0,2,0,0,0,0|2,0,0]=4 11347 B13R0.330 CCCCNNC(=O)NC(C)CCC 273464a_100000741246_100025702795 [0,2,0,0,0,0|2,0,0]=4 11348 B13R0.330 CCCCNNC(=O)NC(C)CCC 512a_100000741246_100025702795 [0,2,0,0,0,0|2,0,0]=4 11349 B13R0.330 CCCCNNC(=O)NC(C)CCC 512a_100025702795_100000741246 [0,2,0,0,0,0|2,0,0]=4 11350 B13R0.330 CCCCOCC(=O)C=C(C)CCC 1458a_100020676950_100011995733 [0,2,0,0,0,0|0,0,2]=4 11351 B13R0.330 CCCCOCC(=O)CC(=O)CCC 1458a_100000757543_100000747444 [0,2,0,0,0,0|0,0,1]=3 11352 B13R0.330 CCCCOCC(=O)CC(=O)NCC 1458a_100000757543_100000183381 [0,2,0,0,0,0|1,0,1]=4 11353 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [0,2,0,0,0,0|1,0,1]=4 11354 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [0,2,0,0,0,0|1,0,1]=4 11355 B13R0.330 CCCCOCC(=O)CC(C)CCC 1458a_100000748435_100011995733 [0,2,0,0,0,0|0,0,0]=2 11356 B13R0.330 CCCCOCC(=O)CC(C)CCC 1458a_100000757543_100011216630 [0,2,0,0,0,0|0,0,0]=2 11357 B13R0.330 CCCCOCC(=O)CC(C)SCC 1458a_200011311441_100011995733 [0,2,0,0,0,0|1,0,0]=3 11358 B13R0.330 CCCCOCC(=O)CS(=O)CCC 1458a_100011387404_100011995733 [0,2,0,0,0,0|1,0,0]=3 11359 B13R0.330 CCCCOCC(=O)NC(C)CCC 11a_100000741246_100000757543 [0,2,0,0,0,0|1,0,0]=3 11360 B13R0.330 CCCCOCC(=O)NC(C)CCC 1626a_100000741246_100000757543 [0,2,0,0,0,0|1,0,0]=3 11361 B13R0.330 CCCCOCC(=O)NC(C)CCC 240690a_100000741246_100000757543 [0,2,0,0,0,0|1,0,0]=3 11362 B13R0.330 CCCCOCC(=O)NC(C)CCC 527a_100000741246_100000757543 [0,2,0,0,0,0|1,0,0]=3 11363 B13R0.330 CCCCOCC(=O)N[C@H](C)CCO 240690a_100000706166_100000757543 [0,2,0,0,0,0|2,0,0]=4 11364 B13R0.330 CCCCOCC(=O)N[C@H](C)CCO 527a_100000706166_100000757543 [0,2,0,0,0,0|2,0,0]=4 11365 B13R0.330 CCCCOCC(=O)N[C@H](C)COC 11a_100000764878_100000757543 [0,2,0,0,0,0|2,0,0]=4 11366 B13R0.330 CCCCOCC(=O)N[C@H](C)COC 1626a_100000764878_100000757543 [0,2,0,0,0,0|2,0,0]=4 11367 B13R0.330 CCCCOCC(=O)N[C@H](C)COC 240690a_100000764878_100000757543 [0,2,0,0,0,0|2,0,0]=4 11368 B13R0.330 CCCCOCC(=O)N[C@H](C)COC 527a_100000764878_100000757543 [0,2,0,0,0,0|2,0,0]=4 11369 B13R0.330 CCCCOCC(C)OC(C)CCC 34a_100011217071_100000766640 [0,2,0,0,0,0|1,0,1]=4 11370 B13R0.330 CCCCOCC(C)OC(C)CCC 7a_100011217071_100000766640 [0,2,0,0,0,0|1,0,1]=4 11371 B13R0.330 CCCCSCC(=O)CC(=O)CCC 1458a_100000191162_100000747444 [0,2,0,0,0,0|0,1,1]=4 11372 B13R0.330 CCCCSCC(=O)CC(C)CCC 1458a_100000191162_100011216630 [0,2,0,0,0,0|0,1,0]=3 11373 B13R0.330 CCCCSCC(=O)NC(C)CCC 11a_100000741246_100000191162 [0,2,0,0,0,0|1,0,0]=3 11374 B13R0.330 CCCCSCC(=O)NC(C)CCC 1626a_100000741246_100000191162 [0,2,0,0,0,0|1,0,0]=3 11375 B13R0.330 CCCCSCC(=O)NC(C)CCC 240690a_100000741246_100000191162 [0,2,0,0,0,0|1,0,0]=3 11376 B13R0.330 CCCCSCC(=O)NC(C)CCC 527a_100000741246_100000191162 [0,2,0,0,0,0|1,0,0]=3 11377 B13R0.330 CCCCSCC(=O)N[C@H](C)CCO 240690a_100000706166_100000191162 [0,2,0,0,0,0|2,0,0]=4 11378 B13R0.330 CCCCSCC(=O)N[C@H](C)CCO 527a_100000706166_100000191162 [0,2,0,0,0,0|2,0,0]=4 11379 B13R0.330 CCCCSCC(=O)N[C@H](C)COC 11a_100000764878_100000191162 [0,2,0,0,0,0|2,0,0]=4 11380 B13R0.330 CCCCSCC(=O)N[C@H](C)COC 1626a_100000764878_100000191162 [0,2,0,0,0,0|2,0,0]=4 11381 B13R0.330 CCCCSCC(=O)N[C@H](C)COC 240690a_100000764878_100000191162 [0,2,0,0,0,0|2,0,0]=4 11382 B13R0.330 CCCCSCC(=O)N[C@H](C)COC 527a_100000764878_100000191162 [0,2,0,0,0,0|2,0,0]=4 11383 B13R0.330 CCCN(C)CC(=O)NCCCOC 2230a_100000168148_100000210303 [0,2,0,0,0,0|2,0,0]=4 11384 B13R0.330 CCCN(C)CC(=O)NCCCOC 2230a_100000747261_100000183178 [0,2,0,0,0,0|2,0,0]=4 11385 B13R0.330 CCCN(C)CC(=O)NCCCOC 269982a_100000168148_100000210303 [0,2,0,0,0,0|2,0,0]=4 11386 B13R0.330 CCCN(C)CC(=O)NCCCOC 269982a_100000747261_100000183178 [0,2,0,0,0,0|2,0,0]=4 11387 B13R0.330 CCCN(C)CC(=O)OCCOCC 2230a_100000747261_200000101388 [0,2,0,0,0,0|1,0,0]=3 11388 B13R0.330 CCCN(C)CC(=O)OCCOCC 269982a_100000747261_200000101388 [0,2,0,0,0,0|1,0,0]=3 11389 B13R0.330 CCCOCCC(=O)C=C(C)CCC 1458a_100020676950_100011215938 [0,2,0,0,0,0|1,0,1]=4 11390 B13R0.330 CCCOCCC(=O)CC(C)CCC 1458a_100000748435_100011215938 [0,2,0,0,0,0|1,0,0]=3 11391 B13R0.330 CCCOCCC(=O)CC(C)SCC 1458a_200011311441_100011215938 [0,2,0,0,0,0|2,0,0]=4 11392 B13R0.330 CCCOCCC(=O)CS(=O)CCC 1458a_100011387404_100011215938 [0,2,0,0,0,0|2,0,0]=4 11393 B13R0.330 CCCS(=O)CC(=O)CCCCCF 1458a_100011387404_100000729378 [0,2,0,0,0,0|2,0,0]=4 11394 B13R0.330 CCCS(=O)CC(=O)CCCCCO 1458a_100011387404_100000746330 [0,2,0,0,0,0|2,0,0]=4 11395 B13R0.330 CCCS(=O)CC(=O)CCCCOC 1458a_100011387404_100000755781 [0,2,0,0,0,0|2,0,0]=4 11396 B13R0.330 CCCS(=O)CC(=O)CCCOCC 1458a_100011387404_100012232248 [0,2,0,0,0,0|2,0,0]=4 11397 B13R0.330 CCCS(=O)CC(=O)NCCCCO 240690a_100000750430_100011387404 [0,2,0,0,0,0|2,0,0]=4 11398 B13R0.330 CCCS(=O)CC(=O)NCCCCO 527a_100000750430_100011387404 [0,2,0,0,0,0|2,0,0]=4 11399 B13R0.330 CCCS(=O)CC(=O)NCCCOC 1626a_100150723488_100011387404 [0,2,0,0,0,0|2,0,0]=4 11400 B13R0.330 CCCS(=O)CC(=O)NCCCOC 240690a_100150723488_100011387404 [0,2,0,0,0,0|2,0,0]=4 11401 B13R0.330 CCCS(=O)CC(=O)NCCCOC 527a_100150723488_100011387404 [0,2,0,0,0,0|2,0,0]=4 11402 B13R0.330 CCCS(=O)CC(=O)NCCCSC 11a_100000749238_100011387404 [0,2,0,0,0,0|2,0,0]=4 11403 B13R0.330 CCCS(=O)CC(=O)NCCCSC 1626a_100000749238_100011387404 [0,2,0,0,0,0|2,0,0]=4 11404 B13R0.330 CCCS(=O)CC(=O)NCCCSC 240690a_100000749238_100011387404 [0,2,0,0,0,0|2,0,0]=4 11405 B13R0.330 CCCS(=O)CC(=O)NCCCSC 527a_100000749238_100011387404 [0,2,0,0,0,0|2,0,0]=4 11406 B13R0.330 CCCS(=O)CC(=O)NCCOCC 11a_100011200944_100011387404 [0,2,0,0,0,0|2,0,0]=4 11407 B13R0.330 CCCS(=O)CC(=O)NCCOCC 1626a_102516460346_100011387404 [0,2,0,0,0,0|2,0,0]=4 11408 B13R0.330 CCCS(=O)CC(=O)NCCOCC 240690a_100011200944_100011387404 [0,2,0,0,0,0|2,0,0]=4 11409 B13R0.330 CCCS(=O)CC(=O)NCCOCC 527a_100011200944_100011387404 [0,2,0,0,0,0|2,0,0]=4 11410 B13R0.330 CCCS(=O)CC(=O)NCCSCC 11a_100000106463_100011387404 [0,2,0,0,0,0|2,0,0]=4 11411 B13R0.330 CCCS(=O)CC(=O)NCCSCC 1626a_100000106463_100011387404 [0,2,0,0,0,0|2,0,0]=4 11412 B13R0.330 CCCS(=O)CC(=O)NCCSCC 240690a_100000106463_100011387404 [0,2,0,0,0,0|2,0,0]=4 11413 B13R0.330 CCCS(=O)CC(=O)NCCSCC 527a_100000106463_100011387404 [0,2,0,0,0,0|2,0,0]=4 11414 B13R0.330 CCOCCCC(=O)CC(C)SCC 1458a_200011311441_100012232248 [0,2,0,0,0,0|2,0,0]=4 11415 B13R0.330 CCOCCNC(=O)CC(C)SCC 11a_100011200944_200011311441 [0,2,0,0,0,0|2,0,0]=4 11416 B13R0.330 CCOCCNC(=O)CC(C)SCC 1626a_102516460346_200011311441 [0,2,0,0,0,0|2,0,0]=4 11417 B13R0.330 CCOCCNC(=O)CC(C)SCC 240690a_100011200944_200011311441 [0,2,0,0,0,0|2,0,0]=4 11418 B13R0.330 CCOCCNC(=O)CC(C)SCC 527a_100011200944_200011311441 [0,2,0,0,0,0|2,0,0]=4 11419 B13R0.330 CCOCCOC(=O)CC(=O)CCO 1458a_100011216618_200000101388 [0,2,0,0,0,0|1,0,1]=4 11420 B13R0.330 CCOCCOC(=O)CC(=O)COC 1458a_100000210968_200000101388 [0,2,0,0,0,0|1,0,1]=4 11421 B13R0.330 CCOCCOC(=O)CC(=O)CSC 1458a_100000184570_200000101388 [0,2,0,0,0,0|1,0,1]=4 11422 B13R0.330 CCOCCOC(=O)CN(C)CCO 2230a_100000210263_200000101388 [0,2,0,0,0,0|2,0,0]=4 11423 B13R0.330 CCOCCOC(=O)CN(C)CCO 269982a_100000210263_200000101388 [0,2,0,0,0,0|2,0,0]=4 11424 B13R0.330 CCSC(C)CC(=O)CCCCCF 1458a_200011311441_100000729378 [0,2,0,0,0,0|2,0,0]=4 11425 B13R0.330 CCSC(C)CC(=O)CCCCCO 1458a_200011311441_100000746330 [0,2,0,0,0,0|2,0,0]=4 11426 B13R0.330 CCSC(C)CC(=O)CCCCOC 1458a_200011311441_100000755781 [0,2,0,0,0,0|2,0,0]=4 11427 B13R0.330 CCSC(C)CC(=O)NCCCCO 240690a_100000750430_200011311441 [0,2,0,0,0,0|2,0,0]=4 11428 B13R0.330 CCSC(C)CC(=O)NCCCCO 527a_100000750430_200011311441 [0,2,0,0,0,0|2,0,0]=4 11429 B13R0.330 CCSC(C)CC(=O)NCCCOC 1626a_100150723488_200011311441 [0,2,0,0,0,0|2,0,0]=4 11430 B13R0.330 CCSC(C)CC(=O)NCCCOC 240690a_100150723488_200011311441 [0,2,0,0,0,0|2,0,0]=4 11431 B13R0.330 CCSC(C)CC(=O)NCCCOC 527a_100150723488_200011311441 [0,2,0,0,0,0|2,0,0]=4 11432 B13R0.330 CCSC(C)CC(=O)NCCCSC 11a_100000749238_200011311441 [0,2,0,0,0,0|2,0,0]=4 11433 B13R0.330 CCSC(C)CC(=O)NCCCSC 1626a_100000749238_200011311441 [0,2,0,0,0,0|2,0,0]=4 11434 B13R0.330 CCSC(C)CC(=O)NCCCSC 240690a_100000749238_200011311441 [0,2,0,0,0,0|2,0,0]=4 11435 B13R0.330 CCSC(C)CC(=O)NCCCSC 527a_100000749238_200011311441 [0,2,0,0,0,0|2,0,0]=4 11436 B13R0.330 CCSCCNC(=O)CC(C)SCC 11a_100000106463_200011311441 [0,2,0,0,0,0|2,0,0]=4 11437 B13R0.330 CCSCCNC(=O)CC(C)SCC 1626a_100000106463_200011311441 [0,2,0,0,0,0|2,0,0]=4 11438 B13R0.330 CCSCCNC(=O)CC(C)SCC 240690a_100000106463_200011311441 [0,2,0,0,0,0|2,0,0]=4 11439 B13R0.330 CCSCCNC(=O)CC(C)SCC 527a_100000106463_200011311441 [0,2,0,0,0,0|2,0,0]=4 11440 B13R0.330 COC[C@@H](C)NC(=O)CCCCCO 240690a_100000764878_100102619762 [0,2,0,0,0,0|2,0,0]=4 11441 B13R0.330 C[C@H](CCO)NC(=O)CCCCCO 240690a_100000706166_100102619762 [0,2,0,0,0,0|2,0,0]=4 11442 B13R0.338 C#CCCCC(=O)CCOCCCC 1458a_100000690238_100000743108 [0,2,0,0,0,0|0,0,2]=4 11443 B13R0.338 C#CCCCCCC(=O)C#CCCC 1458a_200011218047_100012094781 [0,2,0,0,0,0|1,0,1]=4 11444 B13R0.338 C#CCCCCCC(=O)C=CCCC 1458a_100000212230_100012094781 [0,2,0,0,0,0|1,0,1]=4 11445 B13R0.338 C#CCCCCCC(=O)CCCCC 1458a_100000212188_100012094781 [0,2,0,0,0,0|1,0,0]=3 11446 B13R0.338 C#CCCCCCC(=O)CCCCC 1458a_100000694772_100000210326 [0,2,0,0,0,0|1,0,0]=3 11447 B13R0.338 C#CCCCCCC(=O)CCCCF 1458a_100000694772_100000729493 [0,2,0,0,0,0|2,0,0]=4 11448 B13R0.338 C#CCCCCCC(=O)CCCCO 1458a_100000694772_100000210776 [0,2,0,0,0,0|2,0,0]=4 11449 B13R0.338 C#CCCCCCC(=O)CCCCO 1458a_100000695505_100012094781 [0,2,0,0,0,0|2,0,0]=4 11450 B13R0.338 C#CCCCCCC(=O)CCCOC 1458a_100000694772_100000740836 [0,2,0,0,0,0|2,0,0]=4 11451 B13R0.338 C#CCCCCCC(=O)CCCOC 1458a_100000741012_100012094781 [0,2,0,0,0,0|2,0,0]=4 11452 B13R0.338 C#CCCCCCC(=O)CCCSC 1458a_100000173376_100012094781 [0,2,0,0,0,0|2,0,0]=4 11453 B13R0.338 C#CCCCCCC(=O)CCOCC 1458a_100000694772_100011215890 [0,2,0,0,0,0|2,0,0]=4 11454 B13R0.338 C#CCCCCCC(=O)CCOCC 1458a_100000749530_100012094781 [0,2,0,0,0,0|2,0,0]=4 11455 B13R0.338 C#CCCCCCC(=O)CCSCC 1458a_100000230768_100012094781 [0,2,0,0,0,0|2,0,0]=4 11456 B13R0.338 C#CCCCCCC(=O)CCSCC 1458a_100000694772_100000757381 [0,2,0,0,0,0|2,0,0]=4 11457 B13R0.338 C#CCCCCCC(=O)COCCC 1458a_100000745993_100012094781 [0,2,0,0,0,0|2,0,0]=4 11458 B13R0.338 C#CCCCCCC(=O)CSCCC 1458a_100000217233_100012094781 [0,2,0,0,0,0|2,0,0]=4 11459 B13R0.338 C#CCCCCCC(=O)NCCCC 11a_100000102301_100000694772 [0,2,0,0,0,0|1,0,0]=3 11460 B13R0.338 C#CCCCCCC(=O)NCCCC 1626a_100000102301_100000694772 [0,2,0,0,0,0|1,0,0]=3 11461 B13R0.338 C#CCCCCCC(=O)NCCCC 240690a_100000102301_100000694772 [0,2,0,0,0,0|1,0,0]=3 11462 B13R0.338 C#CCCCCCC(=O)NCCCC 527a_100000102301_100000694772 [0,2,0,0,0,0|1,0,0]=3 11463 B13R0.338 C#CCCCCCC(=O)NCCCF 11a_100015189416_100000694772 [0,2,0,0,0,0|2,0,0]=4 11464 B13R0.338 C#CCCCCCC(=O)NCCCF 1626a_100015189416_100000694772 [0,2,0,0,0,0|2,0,0]=4 11465 B13R0.338 C#CCCCCCC(=O)NCCCF 240690a_100015189416_100000694772 [0,2,0,0,0,0|2,0,0]=4 11466 B13R0.338 C#CCCCCCC(=O)NCCCF 527a_100015189416_100000694772 [0,2,0,0,0,0|2,0,0]=4 11467 B13R0.338 C#CCCCCCC(=O)NCCCO 240690a_100000182051_100000694772 [0,2,0,0,0,0|2,0,0]=4 11468 B13R0.338 C#CCCCCCC(=O)NCCCO 527a_100000182051_100000694772 [0,2,0,0,0,0|2,0,0]=4 11469 B13R0.338 C#CCCCCCC(=O)NCCOC 1626a_100000209980_100000694772 [0,2,0,0,0,0|2,0,0]=4 11470 B13R0.338 C#CCCCCCC(=O)NCCOC 240690a_100000209980_100000694772 [0,2,0,0,0,0|2,0,0]=4 11471 B13R0.338 C#CCCCCCC(=O)NCCOC 527a_100000209980_100000694772 [0,2,0,0,0,0|2,0,0]=4 11472 B13R0.338 C#CCCCCCC(=O)NCCSC 11a_100020590264_100000694772 [0,2,0,0,0,0|2,0,0]=4 11473 B13R0.338 C#CCCCCCC(=O)NCCSC 1626a_100020590264_100000694772 [0,2,0,0,0,0|2,0,0]=4 11474 B13R0.338 C#CCCCCCC(=O)NCCSC 240690a_100020590264_100000694772 [0,2,0,0,0,0|2,0,0]=4 11475 B13R0.338 C#CCCCCCC(=O)NCCSC 527a_100020590264_100000694772 [0,2,0,0,0,0|2,0,0]=4 11476 B13R0.338 C#CCCCCCC(=O)NNCCC 22a_100000740057_100000694772 [0,2,0,0,0,0|2,0,0]=4 11477 B13R0.338 C#CCCCCNC(=O)CCCCC 11a_100000706060_100000212188 [0,2,0,0,0,0|1,0,0]=3 11478 B13R0.338 C#CCCCCNC(=O)CCCCC 1626a_100000706060_100000212188 [0,2,0,0,0,0|1,0,0]=3 11479 B13R0.338 C#CCCCCNC(=O)CCCCC 240690a_100000706060_100000212188 [0,2,0,0,0,0|1,0,0]=3 11480 B13R0.338 C#CCCCCNC(=O)CCCCC 527a_100000706060_100000212188 [0,2,0,0,0,0|1,0,0]=3 11481 B13R0.338 C#CCCCCNC(=O)CCCCO 1626a_100000706060_100000695505 [0,2,0,0,0,0|2,0,0]=4 11482 B13R0.338 C#CCCCCNC(=O)CCCOC 11a_100000706060_100000741012 [0,2,0,0,0,0|2,0,0]=4 11483 B13R0.338 C#CCCCCNC(=O)CCCOC 1626a_100000706060_100000741012 [0,2,0,0,0,0|2,0,0]=4 11484 B13R0.338 C#CCCCCNC(=O)CCCOC 240690a_100000706060_100000741012 [0,2,0,0,0,0|2,0,0]=4 11485 B13R0.338 C#CCCCCNC(=O)CCCOC 527a_100000706060_100000741012 [0,2,0,0,0,0|2,0,0]=4 11486 B13R0.338 C#CCCCCNC(=O)CCCSC 11a_100000706060_100000173376 [0,2,0,0,0,0|2,0,0]=4 11487 B13R0.338 C#CCCCCNC(=O)CCCSC 1626a_100000706060_100000173376 [0,2,0,0,0,0|2,0,0]=4 11488 B13R0.338 C#CCCCCNC(=O)CCCSC 240690a_100000706060_100000173376 [0,2,0,0,0,0|2,0,0]=4 11489 B13R0.338 C#CCCCCNC(=O)CCCSC 527a_100000706060_100000173376 [0,2,0,0,0,0|2,0,0]=4 11490 B13R0.338 C#CCCCCNC(=O)CCOCC 11a_100000706060_100000749530 [0,2,0,0,0,0|2,0,0]=4 11491 B13R0.338 C#CCCCCNC(=O)CCOCC 1626a_100000706060_100000749530 [0,2,0,0,0,0|2,0,0]=4 11492 B13R0.338 C#CCCCCNC(=O)CCOCC 240690a_100000706060_100000749530 [0,2,0,0,0,0|2,0,0]=4 11493 B13R0.338 C#CCCCCNC(=O)CCOCC 527a_100000706060_100000749530 [0,2,0,0,0,0|2,0,0]=4 11494 B13R0.338 C#CCCCCNC(=O)CCSCC 11a_100000706060_100000230768 [0,2,0,0,0,0|2,0,0]=4 11495 B13R0.338 C#CCCCCNC(=O)CCSCC 1626a_100000706060_100000230768 [0,2,0,0,0,0|2,0,0]=4 11496 B13R0.338 C#CCCCCNC(=O)CCSCC 240690a_100000706060_100000230768 [0,2,0,0,0,0|2,0,0]=4 11497 B13R0.338 C#CCCCCNC(=O)CCSCC 527a_100000706060_100000230768 [0,2,0,0,0,0|2,0,0]=4 11498 B13R0.338 C#CCCCCNC(=O)COCCC 11a_100000706060_100000745993 [0,2,0,0,0,0|2,0,0]=4 11499 B13R0.338 C#CCCCCNC(=O)COCCC 1626a_100000706060_100000745993 [0,2,0,0,0,0|2,0,0]=4 11500 B13R0.338 C#CCCCCNC(=O)COCCC 240690a_100000706060_100000745993 [0,2,0,0,0,0|2,0,0]=4 11501 B13R0.338 C#CCCCCNC(=O)COCCC 527a_100000706060_100000745993 [0,2,0,0,0,0|2,0,0]=4 11502 B13R0.338 C#CCCCCNC(=O)CSCCC 11a_100000706060_100000217233 [0,2,0,0,0,0|2,0,0]=4 11503 B13R0.338 C#CCCCCNC(=O)CSCCC 1626a_100000706060_100000217233 [0,2,0,0,0,0|2,0,0]=4 11504 B13R0.338 C#CCCCCNC(=O)CSCCC 240690a_100000706060_100000217233 [0,2,0,0,0,0|2,0,0]=4 11505 B13R0.338 C#CCCCCNC(=O)CSCCC 527a_100000706060_100000217233 [0,2,0,0,0,0|2,0,0]=4 11506 B13R0.338 C#CCCCCNC(=O)NCCCC 2708a_100000102301_100000706060 [0,2,0,0,0,0|1,0,1]=4 11507 B13R0.338 C#CCCCCNC(=O)NCCCC 2708a_100000706060_100000102301 [0,2,0,0,0,0|1,0,1]=4 11508 B13R0.338 C#CCCCCNC(=O)NCCCC 273464a_100000102301_100000706060 [0,2,0,0,0,0|1,0,1]=4 11509 B13R0.338 C#CCCCCNC(=O)NCCCC 273464a_100000706060_100000102301 [0,2,0,0,0,0|1,0,1]=4 11510 B13R0.338 C#CCCCCNC(=O)NCCCC 512a_100000102301_100000706060 [0,2,0,0,0,0|1,0,1]=4 11511 B13R0.338 C#CCCCCNC(=O)NCCCC 512a_100000706060_100000102301 [0,2,0,0,0,0|1,0,1]=4 11512 B13R0.338 C#CCCCCOC(C)CCCCC 34a_100000766709_200011218191 [0,2,0,0,0,0|1,0,1]=4 11513 B13R0.338 C#CCCCCOC(C)CCCCC 34a_100011215632_100010269958 [0,2,0,0,0,0|1,0,1]=4 11514 B13R0.338 C#CCCCCOC(C)CCCCC 7a_100000766709_200011218191 [0,2,0,0,0,0|1,0,1]=4 11515 B13R0.338 C#CCCCCOC(C)CCCCC 7a_100011215632_100010269958 [0,2,0,0,0,0|1,0,1]=4 11516 B13R0.338 C#CCCCNCC(=O)CCCCC 34a_100000718082_200012276598 [0,2,0,0,0,0|1,0,1]=4 11517 B13R0.338 C#CCCCNCC(=O)NCCCC 34a_100000718082_100000182744 [0,2,0,0,0,0|1,0,1]=4 11518 B13R0.338 C#CCCCNCC(=O)OCCCC 34a_100000718082_100000211628 [0,2,0,0,0,0|0,0,1]=3 11519 B13R0.338 C#CCCCNCC(=O)OCCOC 34a_100000718082_200000040189 [0,2,0,0,0,0|1,0,1]=4 11520 B13R0.338 C#CCCCOCC(=O)CCCCC 34a_100000215630_200012276598 [0,2,0,0,0,0|0,0,1]=3 11521 B13R0.338 C#CCCCOCC(=O)CCCCC 7a_100000215630_200012276598 [0,2,0,0,0,0|0,0,1]=3 11522 B13R0.338 C#CCCCOCC(=O)NCCCC 34a_100000215630_100000182744 [0,2,0,0,0,0|1,0,1]=4 11523 B13R0.338 C#CCCCOCC(=O)NCCCC 7a_100000215630_100000182744 [0,2,0,0,0,0|1,0,1]=4 11524 B13R0.338 C#CCCCOCC(=O)OCCCC 34a_100000215630_100000211628 [0,2,0,0,0,0|0,0,1]=3 11525 B13R0.338 C#CCCCOCC(=O)OCCCC 7a_100000215630_100000211628 [0,2,0,0,0,0|0,0,1]=3 11526 B13R0.338 C#CCCCOCC(=O)OCCOC 34a_100000215630_200000040189 [0,2,0,0,0,0|1,0,1]=4 11527 B13R0.338 C#CCCCOCC(=O)OCCOC 7a_100000215630_200000040189 [0,2,0,0,0,0|1,0,1]=4 11528 B13R0.338 C#CCCCSCC(=O)CCCCC 62a_100011215417_200012276598 [0,2,0,0,0,0|0,1,1]=4 11529 B13R0.338 C#CCCCSCC(=O)CCCCC 62a_200012276598_100011215417 [0,2,0,0,0,0|0,1,1]=4 11530 B13R0.338 C#CCCCSCC(=O)NCCCC 62a_100000182744_100011215417 [0,2,0,0,0,0|1,0,1]=4 11531 B13R0.338 C#CCCCSCC(=O)NCCCC 62a_100011215417_100000182744 [0,2,0,0,0,0|1,0,1]=4 11532 B13R0.338 C#CCCCSCC(=O)OCCCC 62a_100000211628_100011215417 [0,2,0,0,0,0|0,0,1]=3 11533 B13R0.338 C#CCCCSCC(=O)OCCCC 62a_100011215417_100000211628 [0,2,0,0,0,0|0,0,1]=3 11534 B13R0.338 C#CCCCSCC(=O)OCCOC 62a_100011215417_200000040189 [0,2,0,0,0,0|1,0,1]=4 11535 B13R0.338 C#CCCCSCC(=O)OCCOC 62a_200000040189_100011215417 [0,2,0,0,0,0|1,0,1]=4 11536 B13R0.338 C#CCOCCNC(=O)CCCCC 11a_100000700922_100000212188 [0,2,0,0,0,0|1,0,1]=4 11537 B13R0.338 C#CCOCCNC(=O)CCCCC 1626a_100000700922_100000212188 [0,2,0,0,0,0|1,0,1]=4 11538 B13R0.338 C#CCOCCNC(=O)CCCCC 240690a_100000700922_100000212188 [0,2,0,0,0,0|1,0,1]=4 11539 B13R0.338 C#CCOCCNC(=O)CCCCC 527a_100000700922_100000212188 [0,2,0,0,0,0|1,0,1]=4 11540 B13R0.338 C/C=C/CCOCC(=O)CCCCC 34a_100016278192_200012276598 [0,2,0,0,0,0|0,0,1]=3 11541 B13R0.338 C/C=C/CCOCC(=O)NCCCC 34a_100016278192_100000182744 [0,2,0,0,0,0|1,0,1]=4 11542 B13R0.338 C/C=C/CCOCC(=O)OCCCC 34a_100016278192_100000211628 [0,2,0,0,0,0|0,0,1]=3 11543 B13R0.338 C/C=C/CCOCC(=O)OCCOC 34a_100016278192_200000040189 [0,2,0,0,0,0|1,0,1]=4 11544 B13R0.338 C=CCCCC(=O)CCOCCCC 1458a_100000766728_100000743108 [0,2,0,0,0,0|0,0,2]=4 11545 B13R0.338 C=CCCCCCC(=O)C#CCCC 1458a_200011218047_100000700193 [0,2,0,0,0,0|1,0,1]=4 11546 B13R0.338 C=CCCCCCC(=O)C=CCCC 1458a_100000212230_100000700193 [0,2,0,0,0,0|1,0,1]=4 11547 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100000212188_100000700193 [0,2,0,0,0,0|1,0,0]=3 11548 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100011934241_100000210326 [0,2,0,0,0,0|1,0,0]=3 11549 B13R0.338 C=CCCCCCC(=O)CCCCF 1458a_100011934241_100000729493 [0,2,0,0,0,0|2,0,0]=4 11550 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100000695505_100000700193 [0,2,0,0,0,0|2,0,0]=4 11551 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100011934241_100000210776 [0,2,0,0,0,0|2,0,0]=4 11552 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100000741012_100000700193 [0,2,0,0,0,0|2,0,0]=4 11553 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100011934241_100000740836 [0,2,0,0,0,0|2,0,0]=4 11554 B13R0.338 C=CCCCCCC(=O)CCCSC 1458a_100000173376_100000700193 [0,2,0,0,0,0|2,0,0]=4 11555 B13R0.338 C=CCCCCCC(=O)CCOCC 1458a_100000749530_100000700193 [0,2,0,0,0,0|2,0,0]=4 11556 B13R0.338 C=CCCCCCC(=O)CCOCC 1458a_100011934241_100011215890 [0,2,0,0,0,0|2,0,0]=4 11557 B13R0.338 C=CCCCCCC(=O)CCSCC 1458a_100000230768_100000700193 [0,2,0,0,0,0|2,0,0]=4 11558 B13R0.338 C=CCCCCCC(=O)CCSCC 1458a_100011934241_100000757381 [0,2,0,0,0,0|2,0,0]=4 11559 B13R0.338 C=CCCCCCC(=O)COCCC 1458a_100000745993_100000700193 [0,2,0,0,0,0|2,0,0]=4 11560 B13R0.338 C=CCCCCCC(=O)CSCCC 1458a_100000217233_100000700193 [0,2,0,0,0,0|2,0,0]=4 11561 B13R0.338 C=CCCCCCC(=O)NCCCC 11a_100000102301_100011934241 [0,2,0,0,0,0|1,0,0]=3 11562 B13R0.338 C=CCCCCCC(=O)NCCCC 1626a_100000102301_100011934241 [0,2,0,0,0,0|1,0,0]=3 11563 B13R0.338 C=CCCCCCC(=O)NCCCC 240690a_100000102301_100011934241 [0,2,0,0,0,0|1,0,0]=3 11564 B13R0.338 C=CCCCCCC(=O)NCCCC 527a_100000102301_100011934241 [0,2,0,0,0,0|1,0,0]=3 11565 B13R0.338 C=CCCCCCC(=O)NCCCF 11a_100015189416_100011934241 [0,2,0,0,0,0|2,0,0]=4 11566 B13R0.338 C=CCCCCCC(=O)NCCCF 1626a_100015189416_100011934241 [0,2,0,0,0,0|2,0,0]=4 11567 B13R0.338 C=CCCCCCC(=O)NCCCF 240690a_100015189416_100011934241 [0,2,0,0,0,0|2,0,0]=4 11568 B13R0.338 C=CCCCCCC(=O)NCCCF 527a_100015189416_100011934241 [0,2,0,0,0,0|2,0,0]=4 11569 B13R0.338 C=CCCCCCC(=O)NCCCO 240690a_100000182051_100011934241 [0,2,0,0,0,0|2,0,0]=4 11570 B13R0.338 C=CCCCCCC(=O)NCCCO 527a_100000182051_100011934241 [0,2,0,0,0,0|2,0,0]=4 11571 B13R0.338 C=CCCCCCC(=O)NCCOC 1626a_100000209980_100011934241 [0,2,0,0,0,0|2,0,0]=4 11572 B13R0.338 C=CCCCCCC(=O)NCCOC 240690a_100000209980_100011934241 [0,2,0,0,0,0|2,0,0]=4 11573 B13R0.338 C=CCCCCCC(=O)NCCOC 527a_100000209980_100011934241 [0,2,0,0,0,0|2,0,0]=4 11574 B13R0.338 C=CCCCCCC(=O)NCCSC 11a_100020590264_100011934241 [0,2,0,0,0,0|2,0,0]=4 11575 B13R0.338 C=CCCCCCC(=O)NCCSC 1626a_100020590264_100011934241 [0,2,0,0,0,0|2,0,0]=4 11576 B13R0.338 C=CCCCCCC(=O)NCCSC 240690a_100020590264_100011934241 [0,2,0,0,0,0|2,0,0]=4 11577 B13R0.338 C=CCCCCCC(=O)NCCSC 527a_100020590264_100011934241 [0,2,0,0,0,0|2,0,0]=4 11578 B13R0.338 C=CCCCCCC(=O)NNCCC 22a_100000740057_100011934241 [0,2,0,0,0,0|2,0,0]=4 11579 B13R0.338 C=CCCCCNC(=O)CCCCC 11a_100000703577_100000212188 [0,2,0,0,0,0|1,0,0]=3 11580 B13R0.338 C=CCCCCNC(=O)CCCCC 1626a_100000703577_100000212188 [0,2,0,0,0,0|1,0,0]=3 11581 B13R0.338 C=CCCCCNC(=O)CCCCC 240690a_100000703577_100000212188 [0,2,0,0,0,0|1,0,0]=3 11582 B13R0.338 C=CCCCCNC(=O)CCCCC 527a_100000703577_100000212188 [0,2,0,0,0,0|1,0,0]=3 11583 B13R0.338 C=CCCCCNC(=O)CCCCO 1626a_100000703577_100000695505 [0,2,0,0,0,0|2,0,0]=4 11584 B13R0.338 C=CCCCCNC(=O)CCCOC 11a_100000703577_100000741012 [0,2,0,0,0,0|2,0,0]=4 11585 B13R0.338 C=CCCCCNC(=O)CCCOC 1626a_100000703577_100000741012 [0,2,0,0,0,0|2,0,0]=4 11586 B13R0.338 C=CCCCCNC(=O)CCCOC 240690a_100000703577_100000741012 [0,2,0,0,0,0|2,0,0]=4 11587 B13R0.338 C=CCCCCNC(=O)CCCOC 527a_100000703577_100000741012 [0,2,0,0,0,0|2,0,0]=4 11588 B13R0.338 C=CCCCCNC(=O)CCCSC 11a_100000703577_100000173376 [0,2,0,0,0,0|2,0,0]=4 11589 B13R0.338 C=CCCCCNC(=O)CCCSC 1626a_100000703577_100000173376 [0,2,0,0,0,0|2,0,0]=4 11590 B13R0.338 C=CCCCCNC(=O)CCCSC 240690a_100000703577_100000173376 [0,2,0,0,0,0|2,0,0]=4 11591 B13R0.338 C=CCCCCNC(=O)CCCSC 527a_100000703577_100000173376 [0,2,0,0,0,0|2,0,0]=4 11592 B13R0.338 C=CCCCCNC(=O)CCOCC 11a_100000703577_100000749530 [0,2,0,0,0,0|2,0,0]=4 11593 B13R0.338 C=CCCCCNC(=O)CCOCC 1626a_100000703577_100000749530 [0,2,0,0,0,0|2,0,0]=4 11594 B13R0.338 C=CCCCCNC(=O)CCOCC 240690a_100000703577_100000749530 [0,2,0,0,0,0|2,0,0]=4 11595 B13R0.338 C=CCCCCNC(=O)CCOCC 527a_100000703577_100000749530 [0,2,0,0,0,0|2,0,0]=4 11596 B13R0.338 C=CCCCCNC(=O)CCSCC 11a_100000703577_100000230768 [0,2,0,0,0,0|2,0,0]=4 11597 B13R0.338 C=CCCCCNC(=O)CCSCC 1626a_100000703577_100000230768 [0,2,0,0,0,0|2,0,0]=4 11598 B13R0.338 C=CCCCCNC(=O)CCSCC 240690a_100000703577_100000230768 [0,2,0,0,0,0|2,0,0]=4 11599 B13R0.338 C=CCCCCNC(=O)CCSCC 527a_100000703577_100000230768 [0,2,0,0,0,0|2,0,0]=4 11600 B13R0.338 C=CCCCCNC(=O)COCCC 11a_100000703577_100000745993 [0,2,0,0,0,0|2,0,0]=4 11601 B13R0.338 C=CCCCCNC(=O)COCCC 1626a_100000703577_100000745993 [0,2,0,0,0,0|2,0,0]=4 11602 B13R0.338 C=CCCCCNC(=O)COCCC 240690a_100000703577_100000745993 [0,2,0,0,0,0|2,0,0]=4 11603 B13R0.338 C=CCCCCNC(=O)COCCC 527a_100000703577_100000745993 [0,2,0,0,0,0|2,0,0]=4 11604 B13R0.338 C=CCCCCNC(=O)CSCCC 11a_100000703577_100000217233 [0,2,0,0,0,0|2,0,0]=4 11605 B13R0.338 C=CCCCCNC(=O)CSCCC 1626a_100000703577_100000217233 [0,2,0,0,0,0|2,0,0]=4 11606 B13R0.338 C=CCCCCNC(=O)CSCCC 240690a_100000703577_100000217233 [0,2,0,0,0,0|2,0,0]=4 11607 B13R0.338 C=CCCCCNC(=O)CSCCC 527a_100000703577_100000217233 [0,2,0,0,0,0|2,0,0]=4 11608 B13R0.338 C=CCCCCNC(=O)NCCCC 2708a_100000102301_100000703577 [0,2,0,0,0,0|1,0,1]=4 11609 B13R0.338 C=CCCCCNC(=O)NCCCC 2708a_100000703577_100000102301 [0,2,0,0,0,0|1,0,1]=4 11610 B13R0.338 C=CCCCCNC(=O)NCCCC 273464a_100000102301_100000703577 [0,2,0,0,0,0|1,0,1]=4 11611 B13R0.338 C=CCCCCNC(=O)NCCCC 273464a_100000703577_100000102301 [0,2,0,0,0,0|1,0,1]=4 11612 B13R0.338 C=CCCCCNC(=O)NCCCC 512a_100000102301_100000703577 [0,2,0,0,0,0|1,0,1]=4 11613 B13R0.338 C=CCCCCNC(=O)NCCCC 512a_100000703577_100000102301 [0,2,0,0,0,0|1,0,1]=4 11614 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100000766645_200011218191 [0,2,0,0,0,0|1,0,1]=4 11615 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100011215632_100011215482 [0,2,0,0,0,0|1,0,1]=4 11616 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100000766645_200011218191 [0,2,0,0,0,0|1,0,1]=4 11617 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100011215632_100011215482 [0,2,0,0,0,0|1,0,1]=4 11618 B13R0.338 C=CCCCNCC(=O)CCCCC 2230a_100000700776_200012276598 [0,2,0,0,0,0|1,0,1]=4 11619 B13R0.338 C=CCCCNCC(=O)CCCCC 34a_100000700776_200012276598 [0,2,0,0,0,0|1,0,1]=4 11620 B13R0.338 C=CCCCNCC(=O)NCCCC 2230a_100000700776_100000182744 [0,2,0,0,0,0|1,0,1]=4 11621 B13R0.338 C=CCCCNCC(=O)NCCCC 34a_100000700776_100000182744 [0,2,0,0,0,0|1,0,1]=4 11622 B13R0.338 C=CCCCNCC(=O)OCCCC 2230a_100000700776_100000211628 [0,2,0,0,0,0|0,0,1]=3 11623 B13R0.338 C=CCCCNCC(=O)OCCCC 34a_100000700776_100000211628 [0,2,0,0,0,0|0,0,1]=3 11624 B13R0.338 C=CCCCNCC(=O)OCCOC 2230a_100000700776_200000040189 [0,2,0,0,0,0|1,0,1]=4 11625 B13R0.338 C=CCCCNCC(=O)OCCOC 34a_100000700776_200000040189 [0,2,0,0,0,0|1,0,1]=4 11626 B13R0.338 C=CCCCOCC(=O)CCCCC 34a_100000758997_200012276598 [0,2,0,0,0,0|0,0,1]=3 11627 B13R0.338 C=CCCCOCC(=O)CCCCC 7a_100000758997_200012276598 [0,2,0,0,0,0|0,0,1]=3 11628 B13R0.338 C=CCCCOCC(=O)NCCCC 34a_100000758997_100000182744 [0,2,0,0,0,0|1,0,1]=4 11629 B13R0.338 C=CCCCOCC(=O)NCCCC 7a_100000758997_100000182744 [0,2,0,0,0,0|1,0,1]=4 11630 B13R0.338 C=CCCCOCC(=O)OCCCC 34a_100000758997_100000211628 [0,2,0,0,0,0|0,0,1]=3 11631 B13R0.338 C=CCCCOCC(=O)OCCCC 7a_100000758997_100000211628 [0,2,0,0,0,0|0,0,1]=3 11632 B13R0.338 C=CCCCOCC(=O)OCCOC 34a_100000758997_200000040189 [0,2,0,0,0,0|1,0,1]=4 11633 B13R0.338 C=CCCCOCC(=O)OCCOC 7a_100000758997_200000040189 [0,2,0,0,0,0|1,0,1]=4 11634 B13R0.338 C=CCCCSCC(=O)CCCCC 62a_100011713584_200012276598 [0,2,0,0,0,0|0,1,1]=4 11635 B13R0.338 C=CCCCSCC(=O)CCCCC 62a_200012276598_100000757094 [0,2,0,0,0,0|0,1,1]=4 11636 B13R0.338 C=CCCCSCC(=O)NCCCC 62a_100000182744_100000757094 [0,2,0,0,0,0|1,0,1]=4 11637 B13R0.338 C=CCCCSCC(=O)NCCCC 62a_100011713584_100000182744 [0,2,0,0,0,0|1,0,1]=4 11638 B13R0.338 C=CCCCSCC(=O)OCCCC 62a_100000211628_100000757094 [0,2,0,0,0,0|0,0,1]=3 11639 B13R0.338 C=CCCCSCC(=O)OCCCC 62a_100011713584_100000211628 [0,2,0,0,0,0|0,0,1]=3 11640 B13R0.338 C=CCCCSCC(=O)OCCOC 62a_100011713584_200000040189 [0,2,0,0,0,0|1,0,1]=4 11641 B13R0.338 C=CCCCSCC(=O)OCCOC 62a_200000040189_100000757094 [0,2,0,0,0,0|1,0,1]=4 11642 B13R0.338 C=COCCCNC(=O)CCCCC 11a_100000210767_100000212188 [0,2,0,0,0,0|1,0,1]=4 11643 B13R0.338 C=COCCCNC(=O)CCCCC 1626a_100000210767_100000212188 [0,2,0,0,0,0|1,0,1]=4 11644 B13R0.338 C=COCCCNC(=O)CCCCC 240690a_100000210767_100000212188 [0,2,0,0,0,0|1,0,1]=4 11645 B13R0.338 C=COCCCNC(=O)CCCCC 527a_100000210767_100000212188 [0,2,0,0,0,0|1,0,1]=4 11646 B13R0.338 C=COCCOCC(=O)CCCCC 34a_100000033082_200012276598 [0,2,0,0,0,0|0,0,2]=4 11647 B13R0.338 C=COCCOCC(=O)OCCCC 34a_100000033082_100000211628 [0,2,0,0,0,0|0,0,2]=4 11648 B13R0.338 C=COCCSCC(=O)OCCCC 62a_100000039644_100000211628 [0,2,0,0,0,0|0,0,2]=4 11649 B13R0.338 C=COCCSCC(=O)OCCCC 62a_100000211628_100000039644 [0,2,0,0,0,0|0,0,2]=4 11650 B13R0.338 CC#CCCOCC(=O)CCCCC 34a_100000750427_200012276598 [0,2,0,0,0,0|0,0,1]=3 11651 B13R0.338 CC#CCCOCC(=O)NCCCC 34a_100000750427_100000182744 [0,2,0,0,0,0|1,0,1]=4 11652 B13R0.338 CC#CCCOCC(=O)OCCCC 34a_100000750427_100000211628 [0,2,0,0,0,0|0,0,1]=3 11653 B13R0.338 CC#CCCOCC(=O)OCCOC 34a_100000750427_200000040189 [0,2,0,0,0,0|1,0,1]=4 11654 B13R0.338 CC/C=C/CC(=O)CCOCCCC 1458a_100016274230_100000743108 [0,2,0,0,0,0|0,0,2]=4 11655 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100011215632_100015370543 [0,2,0,0,0,0|1,0,1]=4 11656 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100016288707_200011218191 [0,2,0,0,0,0|1,0,1]=4 11657 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100011215632_100015370543 [0,2,0,0,0,0|1,0,1]=4 11658 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100016288707_200011218191 [0,2,0,0,0,0|1,0,1]=4 11659 B13R0.338 CC/C=C\COCC(=O)CCCCC 34a_100016268518_200012276598 [0,2,0,0,0,0|0,0,1]=3 11660 B13R0.338 CC/C=C\COCC(=O)NCCCC 34a_100016268518_100000182744 [0,2,0,0,0,0|1,0,1]=4 11661 B13R0.338 CC/C=C\COCC(=O)OCCCC 34a_100016268518_100000211628 [0,2,0,0,0,0|0,0,1]=3 11662 B13R0.338 CC/C=C\COCC(=O)OCCOC 34a_100016268518_200000040189 [0,2,0,0,0,0|1,0,1]=4 11663 B13R0.338 CC/C=C\CSCC(=O)CCCCC 62a_100103147603_200012276598 [0,2,0,0,0,0|0,1,1]=4 11664 B13R0.338 CC/C=C\CSCC(=O)CCCCC 62a_200012276598_100103147603 [0,2,0,0,0,0|0,1,1]=4 11665 B13R0.338 CC/C=C\CSCC(=O)NCCCC 62a_100000182744_100103147603 [0,2,0,0,0,0|1,0,1]=4 11666 B13R0.338 CC/C=C\CSCC(=O)NCCCC 62a_100103147603_100000182744 [0,2,0,0,0,0|1,0,1]=4 11667 B13R0.338 CC/C=C\CSCC(=O)OCCCC 62a_100000211628_100103147603 [0,2,0,0,0,0|0,0,1]=3 11668 B13R0.338 CC/C=C\CSCC(=O)OCCCC 62a_100103147603_100000211628 [0,2,0,0,0,0|0,0,1]=3 11669 B13R0.338 CC/C=C\CSCC(=O)OCCOC 62a_100103147603_200000040189 [0,2,0,0,0,0|1,0,1]=4 11670 B13R0.338 CC/C=C\CSCC(=O)OCCOC 62a_200000040189_100103147603 [0,2,0,0,0,0|1,0,1]=4 11671 B13R0.338 CC=CCCCOC(C)CCCCC 34a_100020645299_200011218191 [0,2,0,0,0,0|1,0,1]=4 11672 B13R0.338 CCC#CCCOC(C)CCCCC 34a_100000036655_200011218191 [0,2,0,0,0,0|1,0,1]=4 11673 B13R0.338 CCC#CCCOC(C)CCCCC 7a_100000036655_200011218191 [0,2,0,0,0,0|1,0,1]=4 11674 B13R0.338 CCC#CCOCC(=O)CCCCC 34a_100000032950_200012276598 [0,2,0,0,0,0|0,0,1]=3 11675 B13R0.338 CCC#CCOCC(=O)NCCCC 34a_100000032950_100000182744 [0,2,0,0,0,0|1,0,1]=4 11676 B13R0.338 CCC#CCOCC(=O)OCCCC 34a_100000032950_100000211628 [0,2,0,0,0,0|0,0,1]=3 11677 B13R0.338 CCC#CCOCC(=O)OCCOC 34a_100000032950_200000040189 [0,2,0,0,0,0|1,0,1]=4 11678 B13R0.338 CCC#CCSCC(=O)CCCCC 62a_100009813939_200012276598 [0,2,0,0,0,0|0,1,1]=4 11679 B13R0.338 CCC#CCSCC(=O)CCCCC 62a_200012276598_100009813939 [0,2,0,0,0,0|0,1,1]=4 11680 B13R0.338 CCC#CCSCC(=O)NCCCC 62a_100000182744_100009813939 [0,2,0,0,0,0|1,0,1]=4 11681 B13R0.338 CCC#CCSCC(=O)NCCCC 62a_100009813939_100000182744 [0,2,0,0,0,0|1,0,1]=4 11682 B13R0.338 CCC#CCSCC(=O)OCCCC 62a_100000211628_100009813939 [0,2,0,0,0,0|0,0,1]=3 11683 B13R0.338 CCC#CCSCC(=O)OCCCC 62a_100009813939_100000211628 [0,2,0,0,0,0|0,0,1]=3 11684 B13R0.338 CCC#CCSCC(=O)OCCOC 62a_100009813939_200000040189 [0,2,0,0,0,0|1,0,1]=4 11685 B13R0.338 CCC#CCSCC(=O)OCCOC 62a_200000040189_100009813939 [0,2,0,0,0,0|1,0,1]=4 11686 B13R0.338 CCC/C=C/C=CC(=O)CCCCC 1458a_200016258893_100000210326 [0,2,0,0,0,0|1,0,1]=4 11687 B13R0.338 CCC/C=C/COC(C)CCCCC 34a_100016278788_200011218191 [0,2,0,0,0,0|1,0,1]=4 11688 B13R0.338 CCC/C=C/COC(C)CCCCC 7a_100016278788_200011218191 [0,2,0,0,0,0|1,0,1]=4 11689 B13R0.338 CCCC#CC(=O)CCCCCC#N 1458a_200011218047_100009813376 [0,2,0,0,0,0|1,0,1]=4 11690 B13R0.338 CCCC#CC(=O)CCCCCCC 1458a_200011218047_100000210614 [0,2,0,0,0,0|1,0,1]=4 11691 B13R0.338 CCCC#CC(=O)CCCCCCF 1458a_200011218047_100015922095 [0,2,0,0,0,0|1,0,1]=4 11692 B13R0.338 CCCC#CC(=O)CCCCCCO 1458a_200011218047_100000766143 [0,2,0,0,0,0|1,0,1]=4 11693 B13R0.338 CCCC#CC(=O)CCOCCCC 1458a_200011218047_100000743108 [0,2,0,0,0,0|0,0,2]=4 11694 B13R0.338 CCCC#CC(=O)CCOCCOC 1458a_200011218047_100000695917 [0,2,0,0,0,0|1,0,1]=4 11695 B13R0.338 CCCC#CC(=O)NCCCCCC 240690a_100000210581_200011218047 [0,2,0,0,0,0|1,0,1]=4 11696 B13R0.338 CCCC#CC(=O)NCCCCCO 240690a_100000762737_200011218047 [0,2,0,0,0,0|1,0,1]=4 11697 B13R0.338 CCCC#CC(=O)NCCCOCC 240690a_100000210961_200011218047 [0,2,0,0,0,0|1,0,1]=4 11698 B13R0.338 CCCC#CC(=O)NCCOCCC 240690a_100161115042_200011218047 [0,2,0,0,0,0|1,0,1]=4 11699 B13R0.338 CCCC#CC(=O)NCCSCCC 240690a_100020603323_200011218047 [0,2,0,0,0,0|1,0,1]=4 11700 B13R0.338 CCCC#CC(=O)NNCCCCC 22a_100000694160_200011218047 [0,2,0,0,0,0|1,0,1]=4 11701 B13R0.338 CCCC#CCOC(C)CCCCC 34a_100000034806_200011218191 [0,2,0,0,0,0|1,0,1]=4 11702 B13R0.338 CCCC#CCOC(C)CCCCC 7a_100000034806_200011218191 [0,2,0,0,0,0|1,0,1]=4 11703 B13R0.338 CCCC/C=C/CC(=O)CCCCC 1458a_200016282684_100000210326 [0,2,0,0,0,0|1,0,0]=3 11704 B13R0.338 CCCC/C=C/CC(=O)CCCCF 1458a_200016282684_100000729493 [0,2,0,0,0,0|2,0,0]=4 11705 B13R0.338 CCCC/C=C/CC(=O)CCCCO 1458a_200016282684_100000210776 [0,2,0,0,0,0|2,0,0]=4 11706 B13R0.338 CCCC/C=C/CC(=O)CCCOC 1458a_200016282684_100000740836 [0,2,0,0,0,0|2,0,0]=4 11707 B13R0.338 CCCC/C=C/CC(=O)CCOCC 1458a_200016282684_100011215890 [0,2,0,0,0,0|2,0,0]=4 11708 B13R0.338 CCCC/C=C/CC(=O)CCSCC 1458a_200016282684_100000757381 [0,2,0,0,0,0|2,0,0]=4 11709 B13R0.338 CCCC/C=C/CC(=O)NCCCC 11a_100000102301_200016282684 [0,2,0,0,0,0|1,0,0]=3 11710 B13R0.338 CCCC/C=C/CC(=O)NCCCC 1626a_100000102301_200016282684 [0,2,0,0,0,0|1,0,0]=3 11711 B13R0.338 CCCC/C=C/CC(=O)NCCCC 240690a_100000102301_200016282684 [0,2,0,0,0,0|1,0,0]=3 11712 B13R0.338 CCCC/C=C/CC(=O)NCCCC 527a_100000102301_200016282684 [0,2,0,0,0,0|1,0,0]=3 11713 B13R0.338 CCCC/C=C/CC(=O)NCCCF 11a_100015189416_200016282684 [0,2,0,0,0,0|2,0,0]=4 11714 B13R0.338 CCCC/C=C/CC(=O)NCCCF 1626a_100015189416_200016282684 [0,2,0,0,0,0|2,0,0]=4 11715 B13R0.338 CCCC/C=C/CC(=O)NCCCF 240690a_100015189416_200016282684 [0,2,0,0,0,0|2,0,0]=4 11716 B13R0.338 CCCC/C=C/CC(=O)NCCCF 527a_100015189416_200016282684 [0,2,0,0,0,0|2,0,0]=4 11717 B13R0.338 CCCC/C=C/CC(=O)NCCCO 240690a_100000182051_200016282684 [0,2,0,0,0,0|2,0,0]=4 11718 B13R0.338 CCCC/C=C/CC(=O)NCCCO 527a_100000182051_200016282684 [0,2,0,0,0,0|2,0,0]=4 11719 B13R0.338 CCCC/C=C/CC(=O)NCCOC 1626a_100000209980_200016282684 [0,2,0,0,0,0|2,0,0]=4 11720 B13R0.338 CCCC/C=C/CC(=O)NCCOC 240690a_100000209980_200016282684 [0,2,0,0,0,0|2,0,0]=4 11721 B13R0.338 CCCC/C=C/CC(=O)NCCOC 527a_100000209980_200016282684 [0,2,0,0,0,0|2,0,0]=4 11722 B13R0.338 CCCC/C=C/CC(=O)NCCSC 11a_100020590264_200016282684 [0,2,0,0,0,0|2,0,0]=4 11723 B13R0.338 CCCC/C=C/CC(=O)NCCSC 1626a_100020590264_200016282684 [0,2,0,0,0,0|2,0,0]=4 11724 B13R0.338 CCCC/C=C/CC(=O)NCCSC 240690a_100020590264_200016282684 [0,2,0,0,0,0|2,0,0]=4 11725 B13R0.338 CCCC/C=C/CC(=O)NCCSC 527a_100020590264_200016282684 [0,2,0,0,0,0|2,0,0]=4 11726 B13R0.338 CCCC/C=C/CC(=O)NNCCC 22a_100000740057_200016282684 [0,2,0,0,0,0|2,0,0]=4 11727 B13R0.338 CCCC=CC(=O)CCCCCC#N 1458a_100000212230_100009813376 [0,2,0,0,0,0|1,0,1]=4 11728 B13R0.338 CCCC=CC(=O)CCCCCCC 1458a_100000212230_100000210614 [0,2,0,0,0,0|1,0,1]=4 11729 B13R0.338 CCCC=CC(=O)CCCCCCF 1458a_100000212230_100015922095 [0,2,0,0,0,0|1,0,1]=4 11730 B13R0.338 CCCC=CC(=O)CCCCCCO 1458a_100000212230_100000766143 [0,2,0,0,0,0|1,0,1]=4 11731 B13R0.338 CCCC=CC(=O)CCOCCCC 1458a_100000212230_100000743108 [0,2,0,0,0,0|0,0,2]=4 11732 B13R0.338 CCCC=CC(=O)CCOCCOC 1458a_100000212230_100000695917 [0,2,0,0,0,0|1,0,1]=4 11733 B13R0.338 CCCC=CC(=O)NCCCCCC 11a_100000210581_100000212230 [0,2,0,0,0,0|1,0,1]=4 11734 B13R0.338 CCCC=CC(=O)NCCCCCC 1626a_100000210581_100000212230 [0,2,0,0,0,0|1,0,1]=4 11735 B13R0.338 CCCC=CC(=O)NCCCCCC 240690a_100000210581_100000212230 [0,2,0,0,0,0|1,0,1]=4 11736 B13R0.338 CCCC=CC(=O)NCCCCCO 240690a_100000762737_100000212230 [0,2,0,0,0,0|1,0,1]=4 11737 B13R0.338 CCCC=CC(=O)NCCCOCC 11a_100000210961_100000212230 [0,2,0,0,0,0|1,0,1]=4 11738 B13R0.338 CCCC=CC(=O)NCCCOCC 1626a_100000210961_100000212230 [0,2,0,0,0,0|1,0,1]=4 11739 B13R0.338 CCCC=CC(=O)NCCCOCC 240690a_100000210961_100000212230 [0,2,0,0,0,0|1,0,1]=4 11740 B13R0.338 CCCC=CC(=O)NCCOCCC 1626a_100161115042_100000212230 [0,2,0,0,0,0|1,0,1]=4 11741 B13R0.338 CCCC=CC(=O)NCCOCCC 240690a_100161115042_100000212230 [0,2,0,0,0,0|1,0,1]=4 11742 B13R0.338 CCCC=CC(=O)NCCSCCC 11a_100020603323_100000212230 [0,2,0,0,0,0|1,0,1]=4 11743 B13R0.338 CCCC=CC(=O)NCCSCCC 240690a_100020603323_100000212230 [0,2,0,0,0,0|1,0,1]=4 11744 B13R0.338 CCCC=CC(=O)NNCCCCC 22a_100000694160_100000212230 [0,2,0,0,0,0|1,0,1]=4 11745 B13R0.338 CCCCC=NNC(=O)CCCCC 4a_100000189784_100000210104 [0,2,0,0,0,0|1,0,0]=3 11746 B13R0.338 CCCCCC#CC(=O)CCCCC 1458a_100011215388_100000210326 [0,2,0,0,0,0|1,0,0]=3 11747 B13R0.338 CCCCCC#CC(=O)CCCCF 1458a_100011215388_100000729493 [0,2,0,0,0,0|2,0,0]=4 11748 B13R0.338 CCCCCC#CC(=O)CCCCO 1458a_100011215388_100000210776 [0,2,0,0,0,0|2,0,0]=4 11749 B13R0.338 CCCCCC#CC(=O)CCCOC 1458a_100011215388_100000740836 [0,2,0,0,0,0|2,0,0]=4 11750 B13R0.338 CCCCCC#CC(=O)CCOCC 1458a_100011215388_100011215890 [0,2,0,0,0,0|2,0,0]=4 11751 B13R0.338 CCCCCC#CC(=O)CCSCC 1458a_100011215388_100000757381 [0,2,0,0,0,0|2,0,0]=4 11752 B13R0.338 CCCCCC#CC(=O)NCCCC 240690a_100000102301_100011215388 [0,2,0,0,0,0|1,0,0]=3 11753 B13R0.338 CCCCCC#CC(=O)NCCCF 240690a_100015189416_100011215388 [0,2,0,0,0,0|2,0,0]=4 11754 B13R0.338 CCCCCC#CC(=O)NCCCO 240690a_100000182051_100011215388 [0,2,0,0,0,0|2,0,0]=4 11755 B13R0.338 CCCCCC#CC(=O)NCCOC 240690a_100000209980_100011215388 [0,2,0,0,0,0|2,0,0]=4 11756 B13R0.338 CCCCCC#CC(=O)NCCSC 240690a_100020590264_100011215388 [0,2,0,0,0,0|2,0,0]=4 11757 B13R0.338 CCCCCC#CC(=O)NNCCC 22a_100000740057_100011215388 [0,2,0,0,0,0|2,0,0]=4 11758 B13R0.338 CCCCCC(=NNCCOCC)C 4a_100000732670_100000211708 [0,2,0,0,0,0|2,0,0]=4 11759 B13R0.338 CCCCCC(=O)CCCCCC#N 1458a_100000212188_100009813376 [0,2,0,0,0,0|1,0,0]=3 11760 B13R0.338 CCCCCC(=O)CCCCCCF 1458a_100000212188_100015922095 [0,2,0,0,0,0|1,0,0]=3 11761 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100000212188_100000766143 [0,2,0,0,0,0|1,0,0]=3 11762 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100011996774_100000210326 [0,2,0,0,0,0|1,0,0]=3 11763 B13R0.338 CCCCCC(=O)CCCCCOC 1458a_100011935119_100000210326 [0,2,0,0,0,0|1,0,0]=3 11764 B13R0.338 CCCCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210326 [0,2,0,0,0,0|2,0,0]=4 11765 B13R0.338 CCCCCC(=O)CCOCCCC 1458a_100000212188_100000743108 [0,2,0,0,0,0|0,0,0]=2 11766 B13R0.338 CCCCCC(=O)CCOCCOC 1458a_100000212188_100000695917 [0,2,0,0,0,0|1,0,0]=3 11767 B13R0.338 CCCCCC(=O)CCOCCOC 1458a_100000745395_100000210326 [0,2,0,0,0,0|1,0,0]=3 11768 B13R0.338 CCCCCC(=O)CNCCCCO 2230a_100000750430_200012276598 [0,2,0,0,0,0|1,0,0]=3 11769 B13R0.338 CCCCCC(=O)CNCCCCO 34a_100000750430_200012276598 [0,2,0,0,0,0|1,0,0]=3 11770 B13R0.338 CCCCCC(=O)CNCCCOC 34a_100150723488_200012276598 [0,2,0,0,0,0|1,0,0]=3 11771 B13R0.338 CCCCCC(=O)CNCCCSC 2230a_100000749238_200012276598 [0,2,0,0,0,0|1,0,0]=3 11772 B13R0.338 CCCCCC(=O)CNCCOCC 2230a_102516460346_200012276598 [0,2,0,0,0,0|1,0,0]=3 11773 B13R0.338 CCCCCC(=O)CNCCOCC 34a_102516460346_200012276598 [0,2,0,0,0,0|1,0,0]=3 11774 B13R0.338 CCCCCC(=O)CNCCSCC 2230a_100000106463_200012276598 [0,2,0,0,0,0|1,0,0]=3 11775 B13R0.338 CCCCCC(=O)COCC#CCCl 34a_200000047223_200012276598 [0,2,0,0,0,0|0,0,2]=4 11776 B13R0.338 CCCCCC(=O)COCCCCBr 34a_100011216708_200012276598 [0,2,0,0,0,0|0,0,0]=2 11777 B13R0.338 CCCCCC(=O)COCCCCCl 34a_100000210776_200012276598 [0,2,0,0,0,0|0,0,0]=2 11778 B13R0.338 CCCCCC(=O)COCCCCCl 7a_100000210776_200012276598 [0,2,0,0,0,0|0,0,0]=2 11779 B13R0.338 CCCCCC(=O)COCCCCF 34a_100011995726_200012276598 [0,2,0,0,0,0|0,0,0]=2 11780 B13R0.338 CCCCCC(=O)COCCCCF 7a_100011995726_200012276598 [0,2,0,0,0,0|0,0,0]=2 11781 B13R0.338 CCCCCC(=O)COCCCCI 34a_200012148704_200012276598 [0,2,0,0,0,0|0,0,0]=2 11782 B13R0.338 CCCCCC(=O)COCCCCN 34a_100000750430_200012276598 [0,2,0,0,0,0|0,0,0]=2 11783 B13R0.338 CCCCCC(=O)COCCCNC 34a_100000213112_200012276598 [0,2,0,0,0,0|0,0,0]=2 11784 B13R0.338 CCCCCC(=O)COCCCOC 34a_100000740835_200012276598 [0,2,0,0,0,0|0,0,0]=2 11785 B13R0.338 CCCCCC(=O)COCCCSC 34a_100000690336_200012276598 [0,2,0,0,0,0|0,0,0]=2 11786 B13R0.338 CCCCCC(=O)COCCCSC 7a_100000690336_200012276598 [0,2,0,0,0,0|0,0,0]=2 11787 B13R0.338 CCCCCC(=O)COCCOCC 34a_100000210136_200012276598 [0,2,0,0,0,0|0,0,0]=2 11788 B13R0.338 CCCCCC(=O)COCCOCC 7a_100000210136_200012276598 [0,2,0,0,0,0|0,0,0]=2 11789 B13R0.338 CCCCCC(=O)COCCSCC 34a_100000212035_200012276598 [0,2,0,0,0,0|0,0,0]=2 11790 B13R0.338 CCCCCC(=O)COCCSCC 7a_100000212035_200012276598 [0,2,0,0,0,0|0,0,0]=2 11791 B13R0.338 CCCCCC(=O)CSCCCC#N 62a_100000687738_200012276598 [0,2,0,0,0,0|0,1,1]=4 11792 B13R0.338 CCCCCC(=O)CSCCCC#N 62a_200012276598_100000687738 [0,2,0,0,0,0|0,1,1]=4 11793 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200011292268_200012276598 [0,2,0,0,0,0|0,1,1]=4 11794 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200012276598_200011292268 [0,2,0,0,0,0|0,1,1]=4 11795 B13R0.338 CCCCCC(=O)CSCCCCF 62a_100000729493_200012276598 [0,2,0,0,0,0|0,1,0]=3 11796 B13R0.338 CCCCCC(=O)CSCCCCF 62a_200012276598_100000729493 [0,2,0,0,0,0|0,1,0]=3 11797 B13R0.338 CCCCCC(=O)CSCCCCO 62a_100000210776_200012276598 [0,2,0,0,0,0|0,1,0]=3 11798 B13R0.338 CCCCCC(=O)CSCCCCO 62a_200012276598_100000210776 [0,2,0,0,0,0|0,1,0]=3 11799 B13R0.338 CCCCCC(=O)CSCCCOC 62a_100000709357_200012276598 [0,2,0,0,0,0|0,1,0]=3 11800 B13R0.338 CCCCCC(=O)CSCCCOC 62a_200012276598_100000709357 [0,2,0,0,0,0|0,1,0]=3 11801 B13R0.338 CCCCCC(=O)CSCCOCC 62a_100000210147_200012276598 [0,2,0,0,0,0|0,1,0]=3 11802 B13R0.338 CCCCCC(=O)CSCCOCC 62a_200012276598_100011215890 [0,2,0,0,0,0|0,1,0]=3 11803 B13R0.338 CCCCCC(=O)CSCCSCC 62a_100000757381_200012276598 [0,2,0,0,0,0|0,1,0]=3 11804 B13R0.338 CCCCCC(=O)CSCCSCC 62a_200012276598_100000757381 [0,2,0,0,0,0|0,1,0]=3 11805 B13R0.338 CCCCCC(=O)NCCCCC#N 11a_100000751965_100000212188 [0,2,0,0,0,0|1,0,0]=3 11806 B13R0.338 CCCCCC(=O)NCCCCC#N 1626a_100000751965_100000212188 [0,2,0,0,0,0|1,0,0]=3 11807 B13R0.338 CCCCCC(=O)NCCCCC#N 240690a_100000751965_100000212188 [0,2,0,0,0,0|1,0,0]=3 11808 B13R0.338 CCCCCC(=O)NCCCCC#N 527a_100000751965_100000212188 [0,2,0,0,0,0|1,0,0]=3 11809 B13R0.338 CCCCCC(=O)NCCCCCO 240690a_100000762737_100000212188 [0,2,0,0,0,0|1,0,0]=3 11810 B13R0.338 CCCCCC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100000212188 [0,2,0,0,0,0|2,0,0]=4 11811 B13R0.338 CCCCCC(=O)NCCCOCC 11a_100000210961_100000212188 [0,2,0,0,0,0|1,0,0]=3 11812 B13R0.338 CCCCCC(=O)NCCCOCC 1626a_100000210961_100000212188 [0,2,0,0,0,0|1,0,0]=3 11813 B13R0.338 CCCCCC(=O)NCCCOCC 240690a_100000210961_100000212188 [0,2,0,0,0,0|1,0,0]=3 11814 B13R0.338 CCCCCC(=O)NCCCOCC 527a_100000210961_100000212188 [0,2,0,0,0,0|1,0,0]=3 11815 B13R0.338 CCCCCC(=O)NCCOCCC 1626a_100161115042_100000212188 [0,2,0,0,0,0|1,0,0]=3 11816 B13R0.338 CCCCCC(=O)NCCOCCC 240690a_100161115042_100000212188 [0,2,0,0,0,0|1,0,0]=3 11817 B13R0.338 CCCCCC(=O)NCCOCCC 527a_100161115042_100000212188 [0,2,0,0,0,0|1,0,0]=3 11818 B13R0.338 CCCCCC(=O)NCCOCCO 240690a_100000211614_100000212188 [0,2,0,0,0,0|1,0,0]=3 11819 B13R0.338 CCCCCC(=O)NCCSCCC 11a_100020603323_100000212188 [0,2,0,0,0,0|1,0,0]=3 11820 B13R0.338 CCCCCC(=O)NCCSCCC 240690a_100020603323_100000212188 [0,2,0,0,0,0|1,0,0]=3 11821 B13R0.338 CCCCCC(=O)NCCSCCC 527a_100020603323_100000212188 [0,2,0,0,0,0|1,0,0]=3 11822 B13R0.338 CCCCCC(=O)NCCSCCO 240690a_100011219999_100000212188 [0,2,0,0,0,0|1,0,0]=3 11823 B13R0.338 CCCCCC(=O)NCCSCCO 527a_100011219999_100000212188 [0,2,0,0,0,0|1,0,0]=3 11824 B13R0.338 CCCCCC(=O)NN=CCCSC 4a_100000189784_100000210997 [0,2,0,0,0,0|1,0,1]=4 11825 B13R0.338 CCCCCC(=O)NNCCCOC 22a_100025702787_100000212188 [0,2,0,0,0,0|1,0,0]=3 11826 B13R0.338 CCCCCC(=O)NNCCOCC 22a_100000732670_100000212188 [0,2,0,0,0,0|1,0,0]=3 11827 B13R0.338 CCCCCC(C)NCOCCCC 2230a_100000211957_100011995733 [0,2,0,0,0,0|1,0,1]=4 11828 B13R0.338 CCCCCC(C)OCCCCC#N 7a_100011215632_100000211819 [0,2,0,0,0,0|1,0,1]=4 11829 B13R0.338 CCCCCC(C)OCCCCC=O 7a_100011215632_100000139335 [0,2,0,0,0,0|1,0,1]=4 11830 B13R0.338 CCCCCC(C)OCCCCCBr 34a_100000746331_200011218191 [0,2,0,0,0,0|1,0,1]=4 11831 B13R0.338 CCCCCC(C)OCCCCCBr 7a_100000746331_200011218191 [0,2,0,0,0,0|1,0,1]=4 11832 B13R0.338 CCCCCC(C)OCCCCCCl 34a_100000746330_200011218191 [0,2,0,0,0,0|1,0,1]=4 11833 B13R0.338 CCCCCC(C)OCCCCCCl 7a_100000746330_200011218191 [0,2,0,0,0,0|1,0,1]=4 11834 B13R0.338 CCCCCC(C)OCCCCCF 34a_100011215632_100000729378 [0,2,0,0,0,0|1,0,1]=4 11835 B13R0.338 CCCCCC(C)OCCCCCF 7a_100011215632_100000729378 [0,2,0,0,0,0|1,0,1]=4 11836 B13R0.338 CCCCCC(C)OCCCCCI 34a_200012148887_200011218191 [0,2,0,0,0,0|1,0,1]=4 11837 B13R0.338 CCCCCC(C)OCCCCCI 7a_200012148887_200011218191 [0,2,0,0,0,0|1,0,1]=4 11838 B13R0.338 CCCCCC(C)OCCCCCN 34a_100000762737_200011218191 [0,2,0,0,0,0|1,0,1]=4 11839 B13R0.338 CCCCCC(C)OCCCCCO 34a_100011215632_100000746330 [0,2,0,0,0,0|1,0,1]=4 11840 B13R0.338 CCCCCC(C)OCCCCCO 7a_100011215632_100000746330 [0,2,0,0,0,0|1,0,1]=4 11841 B13R0.338 CCCCCC(C)OCCCCOC 34a_100000740925_200011218191 [0,2,0,0,0,0|1,0,1]=4 11842 B13R0.338 CCCCCC(C)OCCCCOC 34a_100011215632_100000755781 [0,2,0,0,0,0|1,0,1]=4 11843 B13R0.338 CCCCCC(C)OCCCCOC 7a_100011215632_100000730899 [0,2,0,0,0,0|1,0,1]=4 11844 B13R0.338 CCCCCC(C)OCCCCSC 34a_100011217163_200011218191 [0,2,0,0,0,0|1,0,1]=4 11845 B13R0.338 CCCCCC(C)OCCCCSC 7a_100011217163_200011218191 [0,2,0,0,0,0|1,0,1]=4 11846 B13R0.338 CCCCCC(C)OCCCOCC 34a_100000757476_200011218191 [0,2,0,0,0,0|1,0,1]=4 11847 B13R0.338 CCCCCC(C)OCCCOCC 34a_100011215632_100012232248 [0,2,0,0,0,0|1,0,1]=4 11848 B13R0.338 CCCCCC(C)OCCCOCC 7a_100000757476_200011218191 [0,2,0,0,0,0|1,0,1]=4 11849 B13R0.338 CCCCCC(C)OCCCOCC 7a_100011215632_100012232248 [0,2,0,0,0,0|1,0,1]=4 11850 B13R0.338 CCCCCC(C)OCCCSCC 34a_100011216438_200011218191 [0,2,0,0,0,0|1,0,1]=4 11851 B13R0.338 CCCCCC(C)OCCCSCC 7a_100011216438_200011218191 [0,2,0,0,0,0|1,0,1]=4 11852 B13R0.338 CCCCCC(C)OCCOCCBr 34a_100000692535_200011218191 [0,2,0,0,0,0|1,0,1]=4 11853 B13R0.338 CCCCCC(C)OCCOCCBr 7a_100000692535_200011218191 [0,2,0,0,0,0|1,0,1]=4 11854 B13R0.338 CCCCCC(C)OCCOCCC 34a_100000752267_200011218191 [0,2,0,0,0,0|1,0,1]=4 11855 B13R0.338 CCCCCC(C)OCCOCCC 34a_100011215632_100011215938 [0,2,0,0,0,0|1,0,1]=4 11856 B13R0.338 CCCCCC(C)OCCOCCC 7a_100000752267_200011218191 [0,2,0,0,0,0|1,0,1]=4 11857 B13R0.338 CCCCCC(C)OCCOCCC 7a_100011215632_100011215938 [0,2,0,0,0,0|1,0,1]=4 11858 B13R0.338 CCCCCC(C)OCCOCCCl 34a_100011215305_200011218191 [0,2,0,0,0,0|1,0,1]=4 11859 B13R0.338 CCCCCC(C)OCCOCCCl 7a_100011215305_200011218191 [0,2,0,0,0,0|1,0,1]=4 11860 B13R0.338 CCCCCC(C)OCCOCCF 34a_200015357709_200011218191 [0,2,0,0,0,0|1,0,1]=4 11861 B13R0.338 CCCCCC(C)OCCOCCF 7a_200015357709_200011218191 [0,2,0,0,0,0|1,0,1]=4 11862 B13R0.338 CCCCCC(C)OCCOCCI 34a_100012149058_200011218191 [0,2,0,0,0,0|1,0,1]=4 11863 B13R0.338 CCCCCC(C)OCCOCCI 7a_100012149058_200011218191 [0,2,0,0,0,0|1,0,1]=4 11864 B13R0.338 CCCCCC(C)OCCOCCN 34a_100000211614_200011218191 [0,2,0,0,0,0|1,0,1]=4 11865 B13R0.338 CCCCCC(C)OCCOCCO 34a_100011215632_100000692535 [0,2,0,0,0,0|1,0,1]=4 11866 B13R0.338 CCCCCC(C)OCCOCCO 7a_100011215632_100011215305 [0,2,0,0,0,0|1,0,1]=4 11867 B13R0.338 CCCCCC(C)OCCSCCC 34a_200000230433_200011218191 [0,2,0,0,0,0|1,0,1]=4 11868 B13R0.338 CCCCCC(C)OCCSCCC 7a_200000230433_200011218191 [0,2,0,0,0,0|1,0,1]=4 11869 B13R0.338 CCCCCC(C)OCOCCCC 34a_100011215632_100011995733 [0,2,0,0,0,0|1,0,1]=4 11870 B13R0.338 CCCCCC(C)SCOCCCC 62a_100011995733_200011218191 [0,2,0,0,0,0|1,0,1]=4 11871 B13R0.338 CCCCCC(C)SCOCCCC 62a_200011218191_100011995733 [0,2,0,0,0,0|1,0,1]=4 11872 B13R0.338 CCCCCC=CC(=O)CCCCC 1458a_100016263427_100000210326 [0,2,0,0,0,0|1,0,0]=3 11873 B13R0.338 CCCCCC=CC(=O)CCCCF 1458a_100016263427_100000729493 [0,2,0,0,0,0|2,0,0]=4 11874 B13R0.338 CCCCCC=CC(=O)CCCCO 1458a_100016263427_100000210776 [0,2,0,0,0,0|2,0,0]=4 11875 B13R0.338 CCCCCC=CC(=O)CCCOC 1458a_100016263427_100000740836 [0,2,0,0,0,0|2,0,0]=4 11876 B13R0.338 CCCCCC=CC(=O)CCOCC 1458a_100016263427_100011215890 [0,2,0,0,0,0|2,0,0]=4 11877 B13R0.338 CCCCCC=CC(=O)CCSCC 1458a_100016263427_100000757381 [0,2,0,0,0,0|2,0,0]=4 11878 B13R0.338 CCCCCC=CC(=O)NCCCC 11a_100000102301_100016263427 [0,2,0,0,0,0|1,0,0]=3 11879 B13R0.338 CCCCCC=CC(=O)NCCCC 1626a_100000102301_100016263427 [0,2,0,0,0,0|1,0,0]=3 11880 B13R0.338 CCCCCC=CC(=O)NCCCC 240690a_100000102301_100016263427 [0,2,0,0,0,0|1,0,0]=3 11881 B13R0.338 CCCCCC=CC(=O)NCCCF 11a_100015189416_100016263427 [0,2,0,0,0,0|2,0,0]=4 11882 B13R0.338 CCCCCC=CC(=O)NCCCF 1626a_100015189416_100016263427 [0,2,0,0,0,0|2,0,0]=4 11883 B13R0.338 CCCCCC=CC(=O)NCCCF 240690a_100015189416_100016263427 [0,2,0,0,0,0|2,0,0]=4 11884 B13R0.338 CCCCCC=CC(=O)NCCCO 240690a_100000182051_100016263427 [0,2,0,0,0,0|2,0,0]=4 11885 B13R0.338 CCCCCC=CC(=O)NCCOC 1626a_100000209980_100016263427 [0,2,0,0,0,0|2,0,0]=4 11886 B13R0.338 CCCCCC=CC(=O)NCCOC 240690a_100000209980_100016263427 [0,2,0,0,0,0|2,0,0]=4 11887 B13R0.338 CCCCCC=CC(=O)NCCSC 11a_100020590264_100016263427 [0,2,0,0,0,0|2,0,0]=4 11888 B13R0.338 CCCCCC=CC(=O)NCCSC 1626a_100020590264_100016263427 [0,2,0,0,0,0|2,0,0]=4 11889 B13R0.338 CCCCCC=CC(=O)NCCSC 240690a_100020590264_100016263427 [0,2,0,0,0,0|2,0,0]=4 11890 B13R0.338 CCCCCC=CC(=O)NNCCC 22a_100000740057_100016263427 [0,2,0,0,0,0|2,0,0]=4 11891 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000211969_100000210326 [0,2,0,0,0,0|1,0,0]=3 11892 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000212188_100000210614 [0,2,0,0,0,0|1,0,0]=3 11893 B13R0.338 CCCCCCCC(=O)CCCCF 1458a_100000211969_100000729493 [0,2,0,0,0,0|2,0,0]=4 11894 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000211969_100000210776 [0,2,0,0,0,0|2,0,0]=4 11895 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000695505_100000210614 [0,2,0,0,0,0|2,0,0]=4 11896 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000211969_100000740836 [0,2,0,0,0,0|2,0,0]=4 11897 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000741012_100000210614 [0,2,0,0,0,0|2,0,0]=4 11898 B13R0.338 CCCCCCCC(=O)CCCSC 1458a_100000173376_100000210614 [0,2,0,0,0,0|2,0,0]=4 11899 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000211969_100011215890 [0,2,0,0,0,0|2,0,0]=4 11900 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000749530_100000210614 [0,2,0,0,0,0|2,0,0]=4 11901 B13R0.338 CCCCCCCC(=O)CCSCC 1458a_100000211969_100000757381 [0,2,0,0,0,0|2,0,0]=4 11902 B13R0.338 CCCCCCCC(=O)CCSCC 1458a_100000230768_100000210614 [0,2,0,0,0,0|2,0,0]=4 11903 B13R0.338 CCCCCCCC(=O)COCCC 1458a_100000745993_100000210614 [0,2,0,0,0,0|2,0,0]=4 11904 B13R0.338 CCCCCCCC(=O)CSCCC 1458a_100000217233_100000210614 [0,2,0,0,0,0|2,0,0]=4 11905 B13R0.338 CCCCCCCC(=O)NCCCC 11a_100000102301_100000211969 [0,2,0,0,0,0|1,0,0]=3 11906 B13R0.338 CCCCCCCC(=O)NCCCC 1626a_100000102301_100000211969 [0,2,0,0,0,0|1,0,0]=3 11907 B13R0.338 CCCCCCCC(=O)NCCCC 240690a_100000102301_100000211969 [0,2,0,0,0,0|1,0,0]=3 11908 B13R0.338 CCCCCCCC(=O)NCCCC 527a_100000102301_100000211969 [0,2,0,0,0,0|1,0,0]=3 11909 B13R0.338 CCCCCCCC(=O)NCCCF 11a_100015189416_100000211969 [0,2,0,0,0,0|2,0,0]=4 11910 B13R0.338 CCCCCCCC(=O)NCCCF 1626a_100015189416_100000211969 [0,2,0,0,0,0|2,0,0]=4 11911 B13R0.338 CCCCCCCC(=O)NCCCF 240690a_100015189416_100000211969 [0,2,0,0,0,0|2,0,0]=4 11912 B13R0.338 CCCCCCCC(=O)NCCCF 527a_100015189416_100000211969 [0,2,0,0,0,0|2,0,0]=4 11913 B13R0.338 CCCCCCCC(=O)NCCCO 240690a_100000182051_100000211969 [0,2,0,0,0,0|2,0,0]=4 11914 B13R0.338 CCCCCCCC(=O)NCCCO 527a_100000182051_100000211969 [0,2,0,0,0,0|2,0,0]=4 11915 B13R0.338 CCCCCCCC(=O)NCCOC 1626a_100000209980_100000211969 [0,2,0,0,0,0|2,0,0]=4 11916 B13R0.338 CCCCCCCC(=O)NCCOC 240690a_100000209980_100000211969 [0,2,0,0,0,0|2,0,0]=4 11917 B13R0.338 CCCCCCCC(=O)NCCOC 527a_100000209980_100000211969 [0,2,0,0,0,0|2,0,0]=4 11918 B13R0.338 CCCCCCCC(=O)NCCSC 11a_100020590264_100000211969 [0,2,0,0,0,0|2,0,0]=4 11919 B13R0.338 CCCCCCCC(=O)NCCSC 1626a_100020590264_100000211969 [0,2,0,0,0,0|2,0,0]=4 11920 B13R0.338 CCCCCCCC(=O)NCCSC 240690a_100020590264_100000211969 [0,2,0,0,0,0|2,0,0]=4 11921 B13R0.338 CCCCCCCC(=O)NCCSC 527a_100020590264_100000211969 [0,2,0,0,0,0|2,0,0]=4 11922 B13R0.338 CCCCCCCC(=O)NNCCC 22a_100000740057_100000211969 [0,2,0,0,0,0|2,0,0]=4 11923 B13R0.338 CCCCCCCC(=O)OCNCC 2230a_100015525214_100009852258 [0,2,0,0,0,0|1,0,0]=3 11924 B13R0.338 CCCCCCCC(=O)OCOCC 34a_100121572206_100009852258 [0,2,0,0,0,0|1,0,0]=3 11925 B13R0.338 CCCCCCCC(=O)OCSCC 62a_100000210202_100009852258 [0,2,0,0,0,0|1,0,0]=3 11926 B13R0.338 CCCCCCCC(=O)OCSCF 62a_100015361967_100009852258 [0,2,0,0,0,0|2,0,0]=4 11927 B13R0.338 CCCCCCCC(C)OCCCC 34a_100000210227_200011218727 [0,2,0,0,0,0|1,0,1]=4 11928 B13R0.338 CCCCCCCC(C)OCCCC 34a_200011215852_100000210210 [0,2,0,0,0,0|1,0,1]=4 11929 B13R0.338 CCCCCCCC(C)OCCCC 7a_100000210227_200011218727 [0,2,0,0,0,0|1,0,1]=4 11930 B13R0.338 CCCCCCCC(C)OCCCC 7a_200011215852_100000210211 [0,2,0,0,0,0|1,0,1]=4 11931 B13R0.338 CCCCCCNC(=O)CCCCC 11a_100000210581_100000212188 [0,2,0,0,0,0|1,0,0]=3 11932 B13R0.338 CCCCCCNC(=O)CCCCC 1626a_100000210581_100000212188 [0,2,0,0,0,0|1,0,0]=3 11933 B13R0.338 CCCCCCNC(=O)CCCCC 240690a_100000210581_100000212188 [0,2,0,0,0,0|1,0,0]=3 11934 B13R0.338 CCCCCCNC(=O)CCCCC 527a_100000210581_100000212188 [0,2,0,0,0,0|1,0,0]=3 11935 B13R0.338 CCCCCCNC(=O)CCCCO 1626a_100000210581_100000695505 [0,2,0,0,0,0|2,0,0]=4 11936 B13R0.338 CCCCCCNC(=O)CCCOC 11a_100000210581_100000741012 [0,2,0,0,0,0|2,0,0]=4 11937 B13R0.338 CCCCCCNC(=O)CCCOC 1626a_100000210581_100000741012 [0,2,0,0,0,0|2,0,0]=4 11938 B13R0.338 CCCCCCNC(=O)CCCOC 240690a_100000210581_100000741012 [0,2,0,0,0,0|2,0,0]=4 11939 B13R0.338 CCCCCCNC(=O)CCCOC 527a_100000210581_100000741012 [0,2,0,0,0,0|2,0,0]=4 11940 B13R0.338 CCCCCCNC(=O)CCCSC 11a_100000210581_100000173376 [0,2,0,0,0,0|2,0,0]=4 11941 B13R0.338 CCCCCCNC(=O)CCCSC 1626a_100000210581_100000173376 [0,2,0,0,0,0|2,0,0]=4 11942 B13R0.338 CCCCCCNC(=O)CCCSC 240690a_100000210581_100000173376 [0,2,0,0,0,0|2,0,0]=4 11943 B13R0.338 CCCCCCNC(=O)CCCSC 527a_100000210581_100000173376 [0,2,0,0,0,0|2,0,0]=4 11944 B13R0.338 CCCCCCNC(=O)CCOCC 11a_100000210581_100000749530 [0,2,0,0,0,0|2,0,0]=4 11945 B13R0.338 CCCCCCNC(=O)CCOCC 1626a_100000210581_100000749530 [0,2,0,0,0,0|2,0,0]=4 11946 B13R0.338 CCCCCCNC(=O)CCOCC 240690a_100000210581_100000749530 [0,2,0,0,0,0|2,0,0]=4 11947 B13R0.338 CCCCCCNC(=O)CCOCC 527a_100000210581_100000749530 [0,2,0,0,0,0|2,0,0]=4 11948 B13R0.338 CCCCCCNC(=O)CCSCC 11a_100000210581_100000230768 [0,2,0,0,0,0|2,0,0]=4 11949 B13R0.338 CCCCCCNC(=O)CCSCC 1626a_100000210581_100000230768 [0,2,0,0,0,0|2,0,0]=4 11950 B13R0.338 CCCCCCNC(=O)CCSCC 240690a_100000210581_100000230768 [0,2,0,0,0,0|2,0,0]=4 11951 B13R0.338 CCCCCCNC(=O)CCSCC 527a_100000210581_100000230768 [0,2,0,0,0,0|2,0,0]=4 11952 B13R0.338 CCCCCCNC(=O)COCCC 11a_100000210581_100000745993 [0,2,0,0,0,0|2,0,0]=4 11953 B13R0.338 CCCCCCNC(=O)COCCC 1626a_100000210581_100000745993 [0,2,0,0,0,0|2,0,0]=4 11954 B13R0.338 CCCCCCNC(=O)COCCC 240690a_100000210581_100000745993 [0,2,0,0,0,0|2,0,0]=4 11955 B13R0.338 CCCCCCNC(=O)COCCC 34a_100000210258_100000230325 [0,2,0,0,0,0|2,0,0]=4 11956 B13R0.338 CCCCCCNC(=O)COCCC 527a_100000210581_100000745993 [0,2,0,0,0,0|2,0,0]=4 11957 B13R0.338 CCCCCCNC(=O)CSCCC 11a_100000210581_100000217233 [0,2,0,0,0,0|2,0,0]=4 11958 B13R0.338 CCCCCCNC(=O)CSCCC 1626a_100000210581_100000217233 [0,2,0,0,0,0|2,0,0]=4 11959 B13R0.338 CCCCCCNC(=O)CSCCC 240690a_100000210581_100000217233 [0,2,0,0,0,0|2,0,0]=4 11960 B13R0.338 CCCCCCNC(=O)CSCCC 527a_100000210581_100000217233 [0,2,0,0,0,0|2,0,0]=4 11961 B13R0.338 CCCCCCNC(=O)CSCCC 62a_100000230325_100000210303 [0,2,0,0,0,0|2,0,0]=4 11962 B13R0.338 CCCCCCNC(=O)NCCCC 2708a_100000102301_100000210581 [0,2,0,0,0,0|1,0,0]=3 11963 B13R0.338 CCCCCCNC(=O)NCCCC 2708a_100000210581_100000102301 [0,2,0,0,0,0|1,0,0]=3 11964 B13R0.338 CCCCCCNC(=O)NCCCC 273464a_100000102301_100000210581 [0,2,0,0,0,0|1,0,0]=3 11965 B13R0.338 CCCCCCNC(=O)NCCCC 273464a_100000210581_100000102301 [0,2,0,0,0,0|1,0,0]=3 11966 B13R0.338 CCCCCCNC(=O)NCCCC 512a_100000102301_100000210581 [0,2,0,0,0,0|1,0,0]=3 11967 B13R0.338 CCCCCCNC(=O)NCCCC 512a_100000210581_100000102301 [0,2,0,0,0,0|1,0,0]=3 11968 B13R0.338 CCCCCCNC(=O)NCCCF 2708a_100000210581_100015189416 [0,2,0,0,0,0|2,0,0]=4 11969 B13R0.338 CCCCCCNC(=O)NCCCF 2708a_100015189416_100000210581 [0,2,0,0,0,0|2,0,0]=4 11970 B13R0.338 CCCCCCNC(=O)NCCCF 273464a_100000210581_100015189416 [0,2,0,0,0,0|2,0,0]=4 11971 B13R0.338 CCCCCCNC(=O)NCCCF 273464a_100015189416_100000210581 [0,2,0,0,0,0|2,0,0]=4 11972 B13R0.338 CCCCCCNC(=O)NCCCF 512a_100000210581_100015189416 [0,2,0,0,0,0|2,0,0]=4 11973 B13R0.338 CCCCCCNC(=O)NCCCF 512a_100015189416_100000210581 [0,2,0,0,0,0|2,0,0]=4 11974 B13R0.338 CCCCCCNC(=O)NCCCO 2708a_100000210581_100000182051 [0,2,0,0,0,0|2,0,0]=4 11975 B13R0.338 CCCCCCNC(=O)NCCCO 273464a_100000182051_100000210581 [0,2,0,0,0,0|2,0,0]=4 11976 B13R0.338 CCCCCCNC(=O)NCCCO 273464a_100000210581_100000182051 [0,2,0,0,0,0|2,0,0]=4 11977 B13R0.338 CCCCCCNC(=O)NCCCO 512a_100000210581_100000182051 [0,2,0,0,0,0|2,0,0]=4 11978 B13R0.338 CCCCCCNC(=O)NCCOC 2708a_100000210581_100000209980 [0,2,0,0,0,0|2,0,0]=4 11979 B13R0.338 CCCCCCNC(=O)NCCOC 273464a_100000209980_100000210581 [0,2,0,0,0,0|2,0,0]=4 11980 B13R0.338 CCCCCCNC(=O)NCCOC 273464a_100000210581_100000209980 [0,2,0,0,0,0|2,0,0]=4 11981 B13R0.338 CCCCCCNC(=O)NCCSC 2708a_100000210581_100020590264 [0,2,0,0,0,0|2,0,0]=4 11982 B13R0.338 CCCCCCNC(=O)NCCSC 2708a_100020590264_100000210581 [0,2,0,0,0,0|2,0,0]=4 11983 B13R0.338 CCCCCCNC(=O)NCCSC 273464a_100000210581_100020590264 [0,2,0,0,0,0|2,0,0]=4 11984 B13R0.338 CCCCCCNC(=O)NCCSC 273464a_100020590264_100000210581 [0,2,0,0,0,0|2,0,0]=4 11985 B13R0.338 CCCCCCNC(=O)NCCSC 512a_100000210581_100020590264 [0,2,0,0,0,0|2,0,0]=4 11986 B13R0.338 CCCCCCNC(=O)NCCSC 512a_100020590264_100000210581 [0,2,0,0,0,0|2,0,0]=4 11987 B13R0.338 CCCCCCNC(=O)NNCCC 273464a_100000210581_100000740057 [0,2,0,0,0,0|2,0,0]=4 11988 B13R0.338 CCCCCCNC(=O)NNCCC 512a_100000210581_100000740057 [0,2,0,0,0,0|2,0,0]=4 11989 B13R0.338 CCCCCCNC(=O)NNCCC 512a_100000740057_100000210581 [0,2,0,0,0,0|2,0,0]=4 11990 B13R0.338 CCCCCCOC(C)CCCCC 34a_100000210259_200011218191 [0,2,0,0,0,0|1,0,1]=4 11991 B13R0.338 CCCCCCOC(C)CCCCC 34a_100011215632_100000210314 [0,2,0,0,0,0|1,0,1]=4 11992 B13R0.338 CCCCCCOC(C)CCCCC 7a_100000210259_200011218191 [0,2,0,0,0,0|1,0,1]=4 11993 B13R0.338 CCCCCCOC(C)CCCCC 7a_100011215632_100000210314 [0,2,0,0,0,0|1,0,1]=4 11994 B13R0.338 CCCCCN(C)CCOCCCC 2230a_100000223495_100000743108 [0,2,0,0,0,0|2,0,0]=4 11995 B13R0.338 CCCCCN(C)CCOCCCC 269982a_100000223495_100000743108 [0,2,0,0,0,0|2,0,0]=4 11996 B13R0.338 CCCCCNCC(=O)CCCCC 2230a_100000209983_200012276598 [0,2,0,0,0,0|1,0,0]=3 11997 B13R0.338 CCCCCNCC(=O)NCCCC 2230a_100000209983_100000182744 [0,2,0,0,0,0|1,0,0]=3 11998 B13R0.338 CCCCCNCC(=O)NCCOC 2230a_100000209983_100000183275 [0,2,0,0,0,0|2,0,0]=4 11999 B13R0.338 CCCCCNCC(=O)NCCOC 2230a_100000754632_100000210326 [0,2,0,0,0,0|2,0,0]=4 12000 B13R0.338 CCCCCNCC(=O)OCCCC 2230a_100000209983_100000211628 [0,2,0,0,0,0|0,0,0]=2 12001 B13R0.338 CCCCCNCC(=O)OCCOC 2230a_100000209983_200000040189 [0,2,0,0,0,0|1,0,0]=3 12002 B13R0.338 CCCCCNN=C(C)CCCCC 4a_100000694160_100000211708 [0,2,0,0,0,0|2,0,0]=4 12003 B13R0.338 CCCCCNNC(=O)CCCCC 22a_100000694160_100000212188 [0,2,0,0,0,0|1,0,0]=3 12004 B13R0.338 CCCCCNNC(=O)CCCOC 22a_100000694160_100000741012 [0,2,0,0,0,0|2,0,0]=4 12005 B13R0.338 CCCCCNNC(=O)CCCSC 22a_100000694160_100000173376 [0,2,0,0,0,0|2,0,0]=4 12006 B13R0.338 CCCCCNNC(=O)CCOCC 22a_100000694160_100000749530 [0,2,0,0,0,0|2,0,0]=4 12007 B13R0.338 CCCCCNNC(=O)CCSCC 22a_100000694160_100000230768 [0,2,0,0,0,0|2,0,0]=4 12008 B13R0.338 CCCCCNNC(=O)COCCC 22a_100000694160_100000745993 [0,2,0,0,0,0|2,0,0]=4 12009 B13R0.338 CCCCCNNC(=O)CSCCC 22a_100000694160_100000217233 [0,2,0,0,0,0|2,0,0]=4 12010 B13R0.338 CCCCCNNC(=O)NCCCC 273464a_100000102301_100000694160 [0,2,0,0,0,0|1,0,0]=3 12011 B13R0.338 CCCCCNNC(=O)NCCCC 512a_100000102301_100000694160 [0,2,0,0,0,0|1,0,0]=3 12012 B13R0.338 CCCCCNNC(=O)NCCCC 512a_100000694160_100000102301 [0,2,0,0,0,0|1,0,0]=3 12013 B13R0.338 CCCCCNNC(=O)NCCCF 273464a_100015189416_100000694160 [0,2,0,0,0,0|2,0,0]=4 12014 B13R0.338 CCCCCNNC(=O)NCCCF 512a_100000694160_100015189416 [0,2,0,0,0,0|2,0,0]=4 12015 B13R0.338 CCCCCNNC(=O)NCCCF 512a_100015189416_100000694160 [0,2,0,0,0,0|2,0,0]=4 12016 B13R0.338 CCCCCNNC(=O)NCCCO 273464a_100000182051_100000694160 [0,2,0,0,0,0|2,0,0]=4 12017 B13R0.338 CCCCCNNC(=O)NCCCO 512a_100000694160_100000182051 [0,2,0,0,0,0|2,0,0]=4 12018 B13R0.338 CCCCCNNC(=O)NCCOC 273464a_100000209980_100000694160 [0,2,0,0,0,0|2,0,0]=4 12019 B13R0.338 CCCCCNNC(=O)NCCSC 273464a_100020590264_100000694160 [0,2,0,0,0,0|2,0,0]=4 12020 B13R0.338 CCCCCNNC(=O)NCCSC 512a_100000694160_100020590264 [0,2,0,0,0,0|2,0,0]=4 12021 B13R0.338 CCCCCNNC(=O)NCCSC 512a_100020590264_100000694160 [0,2,0,0,0,0|2,0,0]=4 12022 B13R0.338 CCCCCNNC(=O)NNCCC 512a_100000694160_100000740057 [0,2,0,0,0,0|2,0,0]=4 12023 B13R0.338 CCCCCNNC(=O)NNCCC 512a_100000740057_100000694160 [0,2,0,0,0,0|2,0,0]=4 12024 B13R0.338 CCCCCOCC(=O)CCCCC 34a_100000210253_200012276598 [0,2,0,0,0,0|0,0,0]=2 12025 B13R0.338 CCCCCOCC(=O)CCCCC 7a_100000210253_200012276598 [0,2,0,0,0,0|0,0,0]=2 12026 B13R0.338 CCCCCOCC(=O)NCCCC 34a_100000210253_100000182744 [0,2,0,0,0,0|1,0,0]=3 12027 B13R0.338 CCCCCOCC(=O)NCCCC 7a_100000210253_100000182744 [0,2,0,0,0,0|1,0,0]=3 12028 B13R0.338 CCCCCOCC(=O)NCCOC 34a_100000210253_100000183275 [0,2,0,0,0,0|2,0,0]=4 12029 B13R0.338 CCCCCOCC(=O)NCCOC 7a_100000210253_100000183275 [0,2,0,0,0,0|2,0,0]=4 12030 B13R0.338 CCCCCOCC(=O)OCCCC 34a_100000210253_100000211628 [0,2,0,0,0,0|0,0,0]=2 12031 B13R0.338 CCCCCOCC(=O)OCCCC 7a_100000210253_100000211628 [0,2,0,0,0,0|0,0,0]=2 12032 B13R0.338 CCCCCOCC(=O)OCCOC 34a_100000210253_200000040189 [0,2,0,0,0,0|1,0,0]=3 12033 B13R0.338 CCCCCOCC(=O)OCCOC 7a_100000210253_200000040189 [0,2,0,0,0,0|1,0,0]=3 12034 B13R0.338 CCCCCSCC(=O)CCCCC 62a_100000210326_200012276598 [0,2,0,0,0,0|0,1,0]=3 12035 B13R0.338 CCCCCSCC(=O)CCCCC 62a_200012276598_100000210326 [0,2,0,0,0,0|0,1,0]=3 12036 B13R0.338 CCCCCSCC(=O)NCCCC 62a_100000182744_100000210326 [0,2,0,0,0,0|1,0,0]=3 12037 B13R0.338 CCCCCSCC(=O)NCCCC 62a_100000210326_100000182744 [0,2,0,0,0,0|1,0,0]=3 12038 B13R0.338 CCCCCSCC(=O)NCCOC 62a_100000183275_100000210326 [0,2,0,0,0,0|2,0,0]=4 12039 B13R0.338 CCCCCSCC(=O)NCCOC 62a_100000210326_100000183275 [0,2,0,0,0,0|2,0,0]=4 12040 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000210326_100000211628 [0,2,0,0,0,0|0,0,0]=2 12041 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000211628_100000210326 [0,2,0,0,0,0|0,0,0]=2 12042 B13R0.338 CCCCCSCC(=O)OCCOC 62a_100000210326_200000040189 [0,2,0,0,0,0|1,0,0]=3 12043 B13R0.338 CCCCCSCC(=O)OCCOC 62a_200000040189_100000210326 [0,2,0,0,0,0|1,0,0]=3 12044 B13R0.338 CCCCNC(=O)CCCCCCO 240690a_100000102301_100011996774 [0,2,0,0,0,0|1,0,0]=3 12045 B13R0.338 CCCCNC(=O)CCCCCOC 11a_100000102301_100011935119 [0,2,0,0,0,0|1,0,0]=3 12046 B13R0.338 CCCCNC(=O)CCCCCOC 1626a_100000102301_100011935119 [0,2,0,0,0,0|1,0,0]=3 12047 B13R0.338 CCCCNC(=O)CCCCCOC 240690a_100000102301_100011935119 [0,2,0,0,0,0|1,0,0]=3 12048 B13R0.338 CCCCNC(=O)CCCCCOC 527a_100000102301_100011935119 [0,2,0,0,0,0|1,0,0]=3 12049 B13R0.338 CCCCNC(=O)CCCCN=[N+]=[N-] 11a_100000102301_100000070148 [0,2,0,0,0,0|2,0,0]=4 12050 B13R0.338 CCCCNC(=O)CCCCN=[N+]=[N-] 240690a_100000102301_100000070148 [0,2,0,0,0,0|2,0,0]=4 12051 B13R0.338 CCCCNC(=O)CCCCN=[N+]=[N-] 527a_100000102301_100000070148 [0,2,0,0,0,0|2,0,0]=4 12052 B13R0.338 CCCCNC(=O)CCOCCOC 11a_100000102301_100000745395 [0,2,0,0,0,0|1,0,0]=3 12053 B13R0.338 CCCCNC(=O)CCOCCOC 1626a_100000102301_100000745395 [0,2,0,0,0,0|1,0,0]=3 12054 B13R0.338 CCCCNC(=O)CCOCCOC 240690a_100000102301_100000745395 [0,2,0,0,0,0|1,0,0]=3 12055 B13R0.338 CCCCNC(=O)CCOCCOC 527a_100000102301_100000745395 [0,2,0,0,0,0|1,0,0]=3 12056 B13R0.338 CCCCNC(=O)CNCCCCO 2230a_100000750430_100000182744 [0,2,0,0,0,0|1,0,0]=3 12057 B13R0.338 CCCCNC(=O)CNCCCCO 34a_100000750430_100000182744 [0,2,0,0,0,0|1,0,0]=3 12058 B13R0.338 CCCCNC(=O)CNCCCOC 34a_100150723488_100000182744 [0,2,0,0,0,0|1,0,0]=3 12059 B13R0.338 CCCCNC(=O)CNCCCSC 2230a_100000749238_100000182744 [0,2,0,0,0,0|1,0,0]=3 12060 B13R0.338 CCCCNC(=O)CNCCOCC 2230a_102516460346_100000182744 [0,2,0,0,0,0|1,0,0]=3 12061 B13R0.338 CCCCNC(=O)CNCCOCC 34a_102516460346_100000182744 [0,2,0,0,0,0|1,0,0]=3 12062 B13R0.338 CCCCNC(=O)CNCCSCC 2230a_100000106463_100000182744 [0,2,0,0,0,0|1,0,0]=3 12063 B13R0.338 CCCCNC(=O)COCCCCBr 34a_100011216708_100000182744 [0,2,0,0,0,0|1,0,0]=3 12064 B13R0.338 CCCCNC(=O)COCCCCCl 34a_100000210776_100000182744 [0,2,0,0,0,0|1,0,0]=3 12065 B13R0.338 CCCCNC(=O)COCCCCCl 7a_100000210776_100000182744 [0,2,0,0,0,0|1,0,0]=3 12066 B13R0.338 CCCCNC(=O)COCCCCF 34a_100011995726_100000182744 [0,2,0,0,0,0|1,0,0]=3 12067 B13R0.338 CCCCNC(=O)COCCCCF 7a_100011995726_100000182744 [0,2,0,0,0,0|1,0,0]=3 12068 B13R0.338 CCCCNC(=O)COCCCCI 34a_200012148704_100000182744 [0,2,0,0,0,0|1,0,0]=3 12069 B13R0.338 CCCCNC(=O)COCCCCN 34a_100000750430_100000182744 [0,2,0,0,0,0|1,0,0]=3 12070 B13R0.338 CCCCNC(=O)COCCCNC 34a_100000213112_100000182744 [0,2,0,0,0,0|1,0,0]=3 12071 B13R0.338 CCCCNC(=O)COCCCOC 34a_100000740835_100000182744 [0,2,0,0,0,0|1,0,0]=3 12072 B13R0.338 CCCCNC(=O)COCCCSC 34a_100000690336_100000182744 [0,2,0,0,0,0|1,0,0]=3 12073 B13R0.338 CCCCNC(=O)COCCCSC 7a_100000690336_100000182744 [0,2,0,0,0,0|1,0,0]=3 12074 B13R0.338 CCCCNC(=O)COCCOCC 34a_100000210136_100000182744 [0,2,0,0,0,0|1,0,0]=3 12075 B13R0.338 CCCCNC(=O)COCCOCC 7a_100000210136_100000182744 [0,2,0,0,0,0|1,0,0]=3 12076 B13R0.338 CCCCNC(=O)COCCSCC 34a_100000212035_100000182744 [0,2,0,0,0,0|1,0,0]=3 12077 B13R0.338 CCCCNC(=O)COCCSCC 7a_100000212035_100000182744 [0,2,0,0,0,0|1,0,0]=3 12078 B13R0.338 CCCCNC(=O)CSCCCC#N 62a_100000182744_100000687738 [0,2,0,0,0,0|1,0,1]=4 12079 B13R0.338 CCCCNC(=O)CSCCCC#N 62a_100000687738_100000182744 [0,2,0,0,0,0|1,0,1]=4 12080 B13R0.338 CCCCNC(=O)CSCCCC=O 62a_100000182744_200011292268 [0,2,0,0,0,0|1,0,1]=4 12081 B13R0.338 CCCCNC(=O)CSCCCC=O 62a_200011292268_100000182744 [0,2,0,0,0,0|1,0,1]=4 12082 B13R0.338 CCCCNC(=O)CSCCCCF 62a_100000182744_100000729493 [0,2,0,0,0,0|1,0,0]=3 12083 B13R0.338 CCCCNC(=O)CSCCCCF 62a_100000729493_100000182744 [0,2,0,0,0,0|1,0,0]=3 12084 B13R0.338 CCCCNC(=O)CSCCCCO 62a_100000182744_100000210776 [0,2,0,0,0,0|1,0,0]=3 12085 B13R0.338 CCCCNC(=O)CSCCCCO 62a_100000210776_100000182744 [0,2,0,0,0,0|1,0,0]=3 12086 B13R0.338 CCCCNC(=O)CSCCCOC 62a_100000182744_100000709357 [0,2,0,0,0,0|1,0,0]=3 12087 B13R0.338 CCCCNC(=O)CSCCCOC 62a_100000709357_100000182744 [0,2,0,0,0,0|1,0,0]=3 12088 B13R0.338 CCCCNC(=O)CSCCOCC 62a_100000182744_100011215890 [0,2,0,0,0,0|1,0,0]=3 12089 B13R0.338 CCCCNC(=O)CSCCOCC 62a_100000210147_100000182744 [0,2,0,0,0,0|1,0,0]=3 12090 B13R0.338 CCCCNC(=O)CSCCSCC 62a_100000182744_100000757381 [0,2,0,0,0,0|1,0,0]=3 12091 B13R0.338 CCCCNC(=O)CSCCSCC 62a_100000757381_100000182744 [0,2,0,0,0,0|1,0,0]=3 12092 B13R0.338 CCCCNC(=O)NCCCCC#N 2708a_100000102301_100000751965 [0,2,0,0,0,0|1,0,1]=4 12093 B13R0.338 CCCCNC(=O)NCCCCC#N 2708a_100000751965_100000102301 [0,2,0,0,0,0|1,0,1]=4 12094 B13R0.338 CCCCNC(=O)NCCCCC#N 273464a_100000102301_100000751965 [0,2,0,0,0,0|1,0,1]=4 12095 B13R0.338 CCCCNC(=O)NCCCCC#N 273464a_100000751965_100000102301 [0,2,0,0,0,0|1,0,1]=4 12096 B13R0.338 CCCCNC(=O)NCCCCC#N 512a_100000102301_100000751965 [0,2,0,0,0,0|1,0,1]=4 12097 B13R0.338 CCCCNC(=O)NCCCCC#N 512a_100000751965_100000102301 [0,2,0,0,0,0|1,0,1]=4 12098 B13R0.338 CCCCNC(=O)NCCCCCO 2708a_100000102301_100000762737 [0,2,0,0,0,0|1,0,0]=3 12099 B13R0.338 CCCCNC(=O)NCCCCCO 273464a_100000102301_100000762737 [0,2,0,0,0,0|1,0,0]=3 12100 B13R0.338 CCCCNC(=O)NCCCCCO 273464a_100000762737_100000102301 [0,2,0,0,0,0|1,0,0]=3 12101 B13R0.338 CCCCNC(=O)NCCCCCO 512a_100000102301_100000762737 [0,2,0,0,0,0|1,0,0]=3 12102 B13R0.338 CCCCNC(=O)NCCCCCO 512a_100000762737_100000102301 [0,2,0,0,0,0|1,0,0]=3 12103 B13R0.338 CCCCNC(=O)NCCCOCC 2708a_100000102301_100000210961 [0,2,0,0,0,0|1,0,0]=3 12104 B13R0.338 CCCCNC(=O)NCCCOCC 2708a_100000210961_100000102301 [0,2,0,0,0,0|1,0,0]=3 12105 B13R0.338 CCCCNC(=O)NCCCOCC 273464a_100000102301_100000210961 [0,2,0,0,0,0|1,0,0]=3 12106 B13R0.338 CCCCNC(=O)NCCCOCC 273464a_100000210961_100000102301 [0,2,0,0,0,0|1,0,0]=3 12107 B13R0.338 CCCCNC(=O)NCCCOCC 512a_100000102301_100000210961 [0,2,0,0,0,0|1,0,0]=3 12108 B13R0.338 CCCCNC(=O)NCCCOCC 512a_100000210961_100000102301 [0,2,0,0,0,0|1,0,0]=3 12109 B13R0.338 CCCCNC(=O)NCCOCCC 2708a_100000102301_100161115042 [0,2,0,0,0,0|1,0,0]=3 12110 B13R0.338 CCCCNC(=O)NCCOCCC 2708a_100161115042_100000102301 [0,2,0,0,0,0|1,0,0]=3 12111 B13R0.338 CCCCNC(=O)NCCOCCC 273464a_100000102301_100161115042 [0,2,0,0,0,0|1,0,0]=3 12112 B13R0.338 CCCCNC(=O)NCCOCCC 273464a_100161115042_100000102301 [0,2,0,0,0,0|1,0,0]=3 12113 B13R0.338 CCCCNC(=O)NCCOCCC 512a_100000102301_100161115042 [0,2,0,0,0,0|1,0,0]=3 12114 B13R0.338 CCCCNC(=O)NCCOCCC 512a_100161115042_100000102301 [0,2,0,0,0,0|1,0,0]=3 12115 B13R0.338 CCCCNC(=O)NCCOCCO 2708a_100000102301_100000211614 [0,2,0,0,0,0|2,0,0]=4 12116 B13R0.338 CCCCNC(=O)NCCOCCO 273464a_100000102301_100000211614 [0,2,0,0,0,0|2,0,0]=4 12117 B13R0.338 CCCCNC(=O)NCCOCCO 273464a_100000211614_100000102301 [0,2,0,0,0,0|2,0,0]=4 12118 B13R0.338 CCCCNC(=O)NCCOCCO 512a_100000211614_100000102301 [0,2,0,0,0,0|2,0,0]=4 12119 B13R0.338 CCCCNC(=O)NCCSCCC 2708a_100000102301_100020603323 [0,2,0,0,0,0|1,0,0]=3 12120 B13R0.338 CCCCNC(=O)NCCSCCC 2708a_100020603323_100000102301 [0,2,0,0,0,0|1,0,0]=3 12121 B13R0.338 CCCCNC(=O)NCCSCCC 273464a_100000102301_100020603323 [0,2,0,0,0,0|1,0,0]=3 12122 B13R0.338 CCCCNC(=O)NCCSCCC 273464a_100020603323_100000102301 [0,2,0,0,0,0|1,0,0]=3 12123 B13R0.338 CCCCNC(=O)NCCSCCC 512a_100000102301_100020603323 [0,2,0,0,0,0|1,0,0]=3 12124 B13R0.338 CCCCNC(=O)NCCSCCC 512a_100020603323_100000102301 [0,2,0,0,0,0|1,0,0]=3 12125 B13R0.338 CCCCNC(=O)NCCSCCO 2708a_100000102301_100011219999 [0,2,0,0,0,0|2,0,0]=4 12126 B13R0.338 CCCCNC(=O)NCCSCCO 273464a_100000102301_100011219999 [0,2,0,0,0,0|2,0,0]=4 12127 B13R0.338 CCCCNC(=O)NCCSCCO 273464a_100011219999_100000102301 [0,2,0,0,0,0|2,0,0]=4 12128 B13R0.338 CCCCNC(=O)NCCSCCO 512a_100000102301_100011219999 [0,2,0,0,0,0|2,0,0]=4 12129 B13R0.338 CCCCNC(=O)NCCSCCO 512a_100011219999_100000102301 [0,2,0,0,0,0|2,0,0]=4 12130 B13R0.338 CCCCNC(=O)NNCCCOC 273464a_100000102301_100025702787 [0,2,0,0,0,0|2,0,0]=4 12131 B13R0.338 CCCCNC(=O)NNCCCOC 512a_100000102301_100025702787 [0,2,0,0,0,0|2,0,0]=4 12132 B13R0.338 CCCCNC(=O)NNCCOCC 273464a_100000102301_100000732670 [0,2,0,0,0,0|2,0,0]=4 12133 B13R0.338 CCCCNC(=O)NNCCOCC 512a_100000102301_100000732670 [0,2,0,0,0,0|2,0,0]=4 12134 B13R0.338 CCCCNC(=O)NNCCOCC 512a_100000732670_100000102301 [0,2,0,0,0,0|2,0,0]=4 12135 B13R0.338 CCCCOC(=O)CNCCCCO 2230a_100000750430_100000211628 [0,2,0,0,0,0|0,0,0]=2 12136 B13R0.338 CCCCOC(=O)CNCCCCO 34a_100000750430_100000211628 [0,2,0,0,0,0|0,0,0]=2 12137 B13R0.338 CCCCOC(=O)CNCCCOC 34a_100150723488_100000211628 [0,2,0,0,0,0|0,0,0]=2 12138 B13R0.338 CCCCOC(=O)CNCCCSC 2230a_100000749238_100000211628 [0,2,0,0,0,0|0,0,0]=2 12139 B13R0.338 CCCCOC(=O)CNCCOCC 2230a_102516460346_100000211628 [0,2,0,0,0,0|0,0,0]=2 12140 B13R0.338 CCCCOC(=O)CNCCOCC 34a_102516460346_100000211628 [0,2,0,0,0,0|0,0,0]=2 12141 B13R0.338 CCCCOC(=O)CNCCSCC 2230a_100000106463_100000211628 [0,2,0,0,0,0|0,0,0]=2 12142 B13R0.338 CCCCOC(=O)COCC#CCCl 34a_200000047223_100000211628 [0,2,0,0,0,0|0,0,2]=4 12143 B13R0.338 CCCCOC(=O)COCCCCBr 34a_100011216708_100000211628 [0,2,0,0,0,0|0,0,0]=2 12144 B13R0.338 CCCCOC(=O)COCCCCCl 34a_100000210776_100000211628 [0,2,0,0,0,0|0,0,0]=2 12145 B13R0.338 CCCCOC(=O)COCCCCCl 7a_100000210776_100000211628 [0,2,0,0,0,0|0,0,0]=2 12146 B13R0.338 CCCCOC(=O)COCCCCF 34a_100011995726_100000211628 [0,2,0,0,0,0|0,0,0]=2 12147 B13R0.338 CCCCOC(=O)COCCCCF 7a_100011995726_100000211628 [0,2,0,0,0,0|0,0,0]=2 12148 B13R0.338 CCCCOC(=O)COCCCCI 34a_200012148704_100000211628 [0,2,0,0,0,0|0,0,0]=2 12149 B13R0.338 CCCCOC(=O)COCCCCN 34a_100000750430_100000211628 [0,2,0,0,0,0|0,0,0]=2 12150 B13R0.338 CCCCOC(=O)COCCCNC 34a_100000213112_100000211628 [0,2,0,0,0,0|0,0,0]=2 12151 B13R0.338 CCCCOC(=O)COCCCOC 34a_100000740835_100000211628 [0,2,0,0,0,0|0,0,0]=2 12152 B13R0.338 CCCCOC(=O)COCCCSC 34a_100000690336_100000211628 [0,2,0,0,0,0|0,0,0]=2 12153 B13R0.338 CCCCOC(=O)COCCCSC 7a_100000690336_100000211628 [0,2,0,0,0,0|0,0,0]=2 12154 B13R0.338 CCCCOC(=O)COCCOCC 34a_100000210136_100000211628 [0,2,0,0,0,0|0,0,0]=2 12155 B13R0.338 CCCCOC(=O)COCCOCC 7a_100000210136_100000211628 [0,2,0,0,0,0|0,0,0]=2 12156 B13R0.338 CCCCOC(=O)COCCSCC 34a_100000212035_100000211628 [0,2,0,0,0,0|0,0,0]=2 12157 B13R0.338 CCCCOC(=O)COCCSCC 7a_100000212035_100000211628 [0,2,0,0,0,0|0,0,0]=2 12158 B13R0.338 CCCCOC(=O)CSCC#CCO 62a_100000211628_200000047223 [0,2,0,0,0,0|0,0,2]=4 12159 B13R0.338 CCCCOC(=O)CSCC#CCO 62a_200000047223_100000211628 [0,2,0,0,0,0|0,0,2]=4 12160 B13R0.338 CCCCOC(=O)CSCCCC#N 62a_100000211628_100000687738 [0,2,0,0,0,0|0,0,1]=3 12161 B13R0.338 CCCCOC(=O)CSCCCC#N 62a_100000687738_100000211628 [0,2,0,0,0,0|0,0,1]=3 12162 B13R0.338 CCCCOC(=O)CSCCCC=O 62a_100000211628_200011292268 [0,2,0,0,0,0|0,0,1]=3 12163 B13R0.338 CCCCOC(=O)CSCCCC=O 62a_200011292268_100000211628 [0,2,0,0,0,0|0,0,1]=3 12164 B13R0.338 CCCCOC(=O)CSCCCCF 62a_100000211628_100000729493 [0,2,0,0,0,0|0,0,0]=2 12165 B13R0.338 CCCCOC(=O)CSCCCCF 62a_100000729493_100000211628 [0,2,0,0,0,0|0,0,0]=2 12166 B13R0.338 CCCCOC(=O)CSCCCCO 62a_100000210776_100000211628 [0,2,0,0,0,0|0,0,0]=2 12167 B13R0.338 CCCCOC(=O)CSCCCCO 62a_100000211628_100000210776 [0,2,0,0,0,0|0,0,0]=2 12168 B13R0.338 CCCCOC(=O)CSCCCOC 62a_100000211628_100000709357 [0,2,0,0,0,0|0,0,0]=2 12169 B13R0.338 CCCCOC(=O)CSCCCOC 62a_100000709357_100000211628 [0,2,0,0,0,0|0,0,0]=2 12170 B13R0.338 CCCCOC(=O)CSCCOCC 62a_100000210147_100000211628 [0,2,0,0,0,0|0,0,0]=2 12171 B13R0.338 CCCCOC(=O)CSCCOCC 62a_100000211628_100011215890 [0,2,0,0,0,0|0,0,0]=2 12172 B13R0.338 CCCCOC(=O)CSCCSC#N 62a_100000034367_100000211628 [0,2,0,0,0,0|1,0,1]=4 12173 B13R0.338 CCCCOC(=O)CSCCSC#N 62a_100000211628_100000034367 [0,2,0,0,0,0|1,0,1]=4 12174 B13R0.338 CCCCOC(=O)CSCCSCC 62a_100000211628_100000757381 [0,2,0,0,0,0|0,0,0]=2 12175 B13R0.338 CCCCOC(=O)CSCCSCC 62a_100000757381_100000211628 [0,2,0,0,0,0|0,0,0]=2 12176 B13R0.338 CCCCOCCC(=O)CCCC#N 1458a_100000075515_100000743108 [0,2,0,0,0,0|1,0,1]=4 12177 B13R0.338 CCCCOCCC(=O)CCCCO 1458a_100000695505_100000743108 [0,2,0,0,0,0|1,0,0]=3 12178 B13R0.338 CCCCOCCC(=O)CCCOC 1458a_100000741012_100000743108 [0,2,0,0,0,0|1,0,0]=3 12179 B13R0.338 CCCCOCCC(=O)CCCSC 1458a_100000173376_100000743108 [0,2,0,0,0,0|1,0,0]=3 12180 B13R0.338 CCCCOCCC(=O)CCOCC 1458a_100000749530_100000743108 [0,2,0,0,0,0|1,0,0]=3 12181 B13R0.338 CCCCOCCC(=O)CCSCC 1458a_100000230768_100000743108 [0,2,0,0,0,0|1,0,0]=3 12182 B13R0.338 CCCCOCCC(=O)COCCC 1458a_100000745993_100000743108 [0,2,0,0,0,0|1,0,0]=3 12183 B13R0.338 CCCCOCCC(=O)COCCO 1458a_100000708028_100000743108 [0,2,0,0,0,0|2,0,0]=4 12184 B13R0.338 CCCCOCCC(=O)CSCCC 1458a_100000217233_100000743108 [0,2,0,0,0,0|1,0,0]=3 12185 B13R0.338 CCCNNC(=O)CCCCCOC 22a_100000740057_100011935119 [0,2,0,0,0,0|2,0,0]=4 12186 B13R0.338 CCCNNC(=O)CCOCCOC 22a_100000740057_100000745395 [0,2,0,0,0,0|2,0,0]=4 12187 B13R0.338 CCCNNC(=O)NCCCCCO 273464a_100000762737_100000740057 [0,2,0,0,0,0|2,0,0]=4 12188 B13R0.338 CCCNNC(=O)NCCCCCO 512a_100000740057_100000762737 [0,2,0,0,0,0|2,0,0]=4 12189 B13R0.338 CCCNNC(=O)NCCCCCO 512a_100000762737_100000740057 [0,2,0,0,0,0|2,0,0]=4 12190 B13R0.338 CCCNNC(=O)NCCCOCC 273464a_100000210961_100000740057 [0,2,0,0,0,0|2,0,0]=4 12191 B13R0.338 CCCNNC(=O)NCCCOCC 512a_100000210961_100000740057 [0,2,0,0,0,0|2,0,0]=4 12192 B13R0.338 CCCNNC(=O)NCCCOCC 512a_100000740057_100000210961 [0,2,0,0,0,0|2,0,0]=4 12193 B13R0.338 CCCNNC(=O)NCCOCCC 273464a_100161115042_100000740057 [0,2,0,0,0,0|2,0,0]=4 12194 B13R0.338 CCCNNC(=O)NCCOCCC 512a_100000740057_100161115042 [0,2,0,0,0,0|2,0,0]=4 12195 B13R0.338 CCCNNC(=O)NCCOCCC 512a_100161115042_100000740057 [0,2,0,0,0,0|2,0,0]=4 12196 B13R0.338 CCCNNC(=O)NCCSCCC 273464a_100020603323_100000740057 [0,2,0,0,0,0|2,0,0]=4 12197 B13R0.338 CCCNNC(=O)NCCSCCC 512a_100000740057_100020603323 [0,2,0,0,0,0|2,0,0]=4 12198 B13R0.338 CCCNNC(=O)NCCSCCC 512a_100020603323_100000740057 [0,2,0,0,0,0|2,0,0]=4 12199 B13R0.338 CCCOCC(=O)CCCCCC#N 1458a_100000745993_100009813376 [0,2,0,0,0,0|2,0,0]=4 12200 B13R0.338 CCCOCC(=O)CCCCCCF 1458a_100000745993_100015922095 [0,2,0,0,0,0|2,0,0]=4 12201 B13R0.338 CCCOCC(=O)CCCCCCO 1458a_100000745993_100000766143 [0,2,0,0,0,0|2,0,0]=4 12202 B13R0.338 CCCOCC(=O)CCOCCOC 1458a_100000745993_100000695917 [0,2,0,0,0,0|2,0,0]=4 12203 B13R0.338 CCCOCC(=O)NCCCCC#N 11a_100000751965_100000745993 [0,2,0,0,0,0|2,0,0]=4 12204 B13R0.338 CCCOCC(=O)NCCCCC#N 1626a_100000751965_100000745993 [0,2,0,0,0,0|2,0,0]=4 12205 B13R0.338 CCCOCC(=O)NCCCCC#N 240690a_100000751965_100000745993 [0,2,0,0,0,0|2,0,0]=4 12206 B13R0.338 CCCOCC(=O)NCCCCC#N 527a_100000751965_100000745993 [0,2,0,0,0,0|2,0,0]=4 12207 B13R0.338 CCCOCC(=O)NCCCCCO 240690a_100000762737_100000745993 [0,2,0,0,0,0|2,0,0]=4 12208 B13R0.338 CCCOCC(=O)NCCCOCC 11a_100000210961_100000745993 [0,2,0,0,0,0|2,0,0]=4 12209 B13R0.338 CCCOCC(=O)NCCCOCC 1626a_100000210961_100000745993 [0,2,0,0,0,0|2,0,0]=4 12210 B13R0.338 CCCOCC(=O)NCCCOCC 240690a_100000210961_100000745993 [0,2,0,0,0,0|2,0,0]=4 12211 B13R0.338 CCCOCC(=O)NCCCOCC 527a_100000210961_100000745993 [0,2,0,0,0,0|2,0,0]=4 12212 B13R0.338 CCCOCC(=O)NCCOCCO 240690a_100000211614_100000745993 [0,2,0,0,0,0|2,0,0]=4 12213 B13R0.338 CCCOCC(=O)NCCSCCC 11a_100020603323_100000745993 [0,2,0,0,0,0|2,0,0]=4 12214 B13R0.338 CCCOCC(=O)NCCSCCC 240690a_100020603323_100000745993 [0,2,0,0,0,0|2,0,0]=4 12215 B13R0.338 CCCOCC(=O)NCCSCCC 527a_100020603323_100000745993 [0,2,0,0,0,0|2,0,0]=4 12216 B13R0.338 CCCOCC(=O)NCCSCCO 240690a_100011219999_100000745993 [0,2,0,0,0,0|2,0,0]=4 12217 B13R0.338 CCCOCC(=O)NCCSCCO 527a_100011219999_100000745993 [0,2,0,0,0,0|2,0,0]=4 12218 B13R0.338 CCCOCC(=O)NNCCCOC 22a_100025702787_100000745993 [0,2,0,0,0,0|2,0,0]=4 12219 B13R0.338 CCCOCC(=O)NNCCOCC 22a_100000732670_100000745993 [0,2,0,0,0,0|2,0,0]=4 12220 B13R0.338 CCCOCCNC(=O)CCCCO 1626a_100161115042_100000695505 [0,2,0,0,0,0|2,0,0]=4 12221 B13R0.338 CCCOCCNC(=O)CCCOC 1626a_100161115042_100000741012 [0,2,0,0,0,0|2,0,0]=4 12222 B13R0.338 CCCOCCNC(=O)CCCOC 240690a_100161115042_100000741012 [0,2,0,0,0,0|2,0,0]=4 12223 B13R0.338 CCCOCCNC(=O)CCCOC 527a_100161115042_100000741012 [0,2,0,0,0,0|2,0,0]=4 12224 B13R0.338 CCCOCCNC(=O)CCCSC 1626a_100161115042_100000173376 [0,2,0,0,0,0|2,0,0]=4 12225 B13R0.338 CCCOCCNC(=O)CCCSC 240690a_100161115042_100000173376 [0,2,0,0,0,0|2,0,0]=4 12226 B13R0.338 CCCOCCNC(=O)CCCSC 527a_100161115042_100000173376 [0,2,0,0,0,0|2,0,0]=4 12227 B13R0.338 CCCOCCNC(=O)CCOCC 1626a_100161115042_100000749530 [0,2,0,0,0,0|2,0,0]=4 12228 B13R0.338 CCCOCCNC(=O)CCOCC 240690a_100161115042_100000749530 [0,2,0,0,0,0|2,0,0]=4 12229 B13R0.338 CCCOCCNC(=O)CCOCC 527a_100161115042_100000749530 [0,2,0,0,0,0|2,0,0]=4 12230 B13R0.338 CCCOCCNC(=O)CCSCC 1626a_100161115042_100000230768 [0,2,0,0,0,0|2,0,0]=4 12231 B13R0.338 CCCOCCNC(=O)CCSCC 240690a_100161115042_100000230768 [0,2,0,0,0,0|2,0,0]=4 12232 B13R0.338 CCCOCCNC(=O)CCSCC 527a_100161115042_100000230768 [0,2,0,0,0,0|2,0,0]=4 12233 B13R0.338 CCCOCCNC(=O)COCCC 1626a_100161115042_100000745993 [0,2,0,0,0,0|2,0,0]=4 12234 B13R0.338 CCCOCCNC(=O)COCCC 240690a_100161115042_100000745993 [0,2,0,0,0,0|2,0,0]=4 12235 B13R0.338 CCCOCCNC(=O)COCCC 527a_100161115042_100000745993 [0,2,0,0,0,0|2,0,0]=4 12236 B13R0.338 CCCOCCNC(=O)CSCCC 1626a_100161115042_100000217233 [0,2,0,0,0,0|2,0,0]=4 12237 B13R0.338 CCCOCCNC(=O)CSCCC 240690a_100161115042_100000217233 [0,2,0,0,0,0|2,0,0]=4 12238 B13R0.338 CCCOCCNC(=O)CSCCC 527a_100161115042_100000217233 [0,2,0,0,0,0|2,0,0]=4 12239 B13R0.338 CCCOCCNC(=O)NCCCF 2708a_100015189416_100161115042 [0,2,0,0,0,0|2,0,0]=4 12240 B13R0.338 CCCOCCNC(=O)NCCCF 2708a_100161115042_100015189416 [0,2,0,0,0,0|2,0,0]=4 12241 B13R0.338 CCCOCCNC(=O)NCCCF 273464a_100015189416_100161115042 [0,2,0,0,0,0|2,0,0]=4 12242 B13R0.338 CCCOCCNC(=O)NCCCF 273464a_100161115042_100015189416 [0,2,0,0,0,0|2,0,0]=4 12243 B13R0.338 CCCOCCNC(=O)NCCCF 512a_100015189416_100161115042 [0,2,0,0,0,0|2,0,0]=4 12244 B13R0.338 CCCOCCNC(=O)NCCCF 512a_100161115042_100015189416 [0,2,0,0,0,0|2,0,0]=4 12245 B13R0.338 CCCOCCNC(=O)NCCCO 2708a_100161115042_100000182051 [0,2,0,0,0,0|2,0,0]=4 12246 B13R0.338 CCCOCCNC(=O)NCCCO 273464a_100000182051_100161115042 [0,2,0,0,0,0|2,0,0]=4 12247 B13R0.338 CCCOCCNC(=O)NCCCO 273464a_100161115042_100000182051 [0,2,0,0,0,0|2,0,0]=4 12248 B13R0.338 CCCOCCNC(=O)NCCCO 512a_100161115042_100000182051 [0,2,0,0,0,0|2,0,0]=4 12249 B13R0.338 CCCOCCNC(=O)NCCOC 2708a_100161115042_100000209980 [0,2,0,0,0,0|2,0,0]=4 12250 B13R0.338 CCCOCCNC(=O)NCCOC 273464a_100000209980_100161115042 [0,2,0,0,0,0|2,0,0]=4 12251 B13R0.338 CCCOCCNC(=O)NCCOC 273464a_100161115042_100000209980 [0,2,0,0,0,0|2,0,0]=4 12252 B13R0.338 CCCOCCNC(=O)NCCSC 2708a_100020590264_100161115042 [0,2,0,0,0,0|2,0,0]=4 12253 B13R0.338 CCCOCCNC(=O)NCCSC 2708a_100161115042_100020590264 [0,2,0,0,0,0|2,0,0]=4 12254 B13R0.338 CCCOCCNC(=O)NCCSC 273464a_100020590264_100161115042 [0,2,0,0,0,0|2,0,0]=4 12255 B13R0.338 CCCOCCNC(=O)NCCSC 273464a_100161115042_100020590264 [0,2,0,0,0,0|2,0,0]=4 12256 B13R0.338 CCCOCCNC(=O)NCCSC 512a_100020590264_100161115042 [0,2,0,0,0,0|2,0,0]=4 12257 B13R0.338 CCCOCCNC(=O)NCCSC 512a_100161115042_100020590264 [0,2,0,0,0,0|2,0,0]=4 12258 B13R0.338 CCCSCC(=O)CCCCCC#N 1458a_100000217233_100009813376 [0,2,0,0,0,0|2,0,0]=4 12259 B13R0.338 CCCSCC(=O)CCCCCCF 1458a_100000217233_100015922095 [0,2,0,0,0,0|2,0,0]=4 12260 B13R0.338 CCCSCC(=O)CCCCCCO 1458a_100000217233_100000766143 [0,2,0,0,0,0|2,0,0]=4 12261 B13R0.338 CCCSCC(=O)CCOCCOC 1458a_100000217233_100000695917 [0,2,0,0,0,0|2,0,0]=4 12262 B13R0.338 CCCSCC(=O)NCCCCC#N 11a_100000751965_100000217233 [0,2,0,0,0,0|2,0,0]=4 12263 B13R0.338 CCCSCC(=O)NCCCCC#N 1626a_100000751965_100000217233 [0,2,0,0,0,0|2,0,0]=4 12264 B13R0.338 CCCSCC(=O)NCCCCC#N 240690a_100000751965_100000217233 [0,2,0,0,0,0|2,0,0]=4 12265 B13R0.338 CCCSCC(=O)NCCCCC#N 527a_100000751965_100000217233 [0,2,0,0,0,0|2,0,0]=4 12266 B13R0.338 CCCSCC(=O)NCCCCCO 240690a_100000762737_100000217233 [0,2,0,0,0,0|2,0,0]=4 12267 B13R0.338 CCCSCC(=O)NCCCOCC 11a_100000210961_100000217233 [0,2,0,0,0,0|2,0,0]=4 12268 B13R0.338 CCCSCC(=O)NCCCOCC 1626a_100000210961_100000217233 [0,2,0,0,0,0|2,0,0]=4 12269 B13R0.338 CCCSCC(=O)NCCCOCC 240690a_100000210961_100000217233 [0,2,0,0,0,0|2,0,0]=4 12270 B13R0.338 CCCSCC(=O)NCCCOCC 527a_100000210961_100000217233 [0,2,0,0,0,0|2,0,0]=4 12271 B13R0.338 CCCSCC(=O)NCCOCCO 240690a_100000211614_100000217233 [0,2,0,0,0,0|2,0,0]=4 12272 B13R0.338 CCCSCC(=O)NCCSCCO 240690a_100011219999_100000217233 [0,2,0,0,0,0|2,0,0]=4 12273 B13R0.338 CCCSCC(=O)NCCSCCO 527a_100011219999_100000217233 [0,2,0,0,0,0|2,0,0]=4 12274 B13R0.338 CCCSCC(=O)NNCCCOC 22a_100025702787_100000217233 [0,2,0,0,0,0|2,0,0]=4 12275 B13R0.338 CCCSCC(=O)NNCCOCC 22a_100000732670_100000217233 [0,2,0,0,0,0|2,0,0]=4 12276 B13R0.338 CCCSCCNC(=O)CCCOC 11a_100020603323_100000741012 [0,2,0,0,0,0|2,0,0]=4 12277 B13R0.338 CCCSCCNC(=O)CCCOC 240690a_100020603323_100000741012 [0,2,0,0,0,0|2,0,0]=4 12278 B13R0.338 CCCSCCNC(=O)CCCOC 527a_100020603323_100000741012 [0,2,0,0,0,0|2,0,0]=4 12279 B13R0.338 CCCSCCNC(=O)CCCSC 11a_100020603323_100000173376 [0,2,0,0,0,0|2,0,0]=4 12280 B13R0.338 CCCSCCNC(=O)CCCSC 240690a_100020603323_100000173376 [0,2,0,0,0,0|2,0,0]=4 12281 B13R0.338 CCCSCCNC(=O)CCCSC 527a_100020603323_100000173376 [0,2,0,0,0,0|2,0,0]=4 12282 B13R0.338 CCCSCCNC(=O)CCOCC 11a_100020603323_100000749530 [0,2,0,0,0,0|2,0,0]=4 12283 B13R0.338 CCCSCCNC(=O)CCOCC 240690a_100020603323_100000749530 [0,2,0,0,0,0|2,0,0]=4 12284 B13R0.338 CCCSCCNC(=O)CCOCC 527a_100020603323_100000749530 [0,2,0,0,0,0|2,0,0]=4 12285 B13R0.338 CCCSCCNC(=O)CCSCC 11a_100020603323_100000230768 [0,2,0,0,0,0|2,0,0]=4 12286 B13R0.338 CCCSCCNC(=O)CCSCC 240690a_100020603323_100000230768 [0,2,0,0,0,0|2,0,0]=4 12287 B13R0.338 CCCSCCNC(=O)CCSCC 527a_100020603323_100000230768 [0,2,0,0,0,0|2,0,0]=4 12288 B13R0.338 CCCSCCNC(=O)CSCCC 11a_100020603323_100000217233 [0,2,0,0,0,0|2,0,0]=4 12289 B13R0.338 CCCSCCNC(=O)CSCCC 240690a_100020603323_100000217233 [0,2,0,0,0,0|2,0,0]=4 12290 B13R0.338 CCCSCCNC(=O)CSCCC 527a_100020603323_100000217233 [0,2,0,0,0,0|2,0,0]=4 12291 B13R0.338 CCCSCCNC(=O)NCCCF 2708a_100015189416_100020603323 [0,2,0,0,0,0|2,0,0]=4 12292 B13R0.338 CCCSCCNC(=O)NCCCF 2708a_100020603323_100015189416 [0,2,0,0,0,0|2,0,0]=4 12293 B13R0.338 CCCSCCNC(=O)NCCCF 273464a_100015189416_100020603323 [0,2,0,0,0,0|2,0,0]=4 12294 B13R0.338 CCCSCCNC(=O)NCCCF 273464a_100020603323_100015189416 [0,2,0,0,0,0|2,0,0]=4 12295 B13R0.338 CCCSCCNC(=O)NCCCF 512a_100015189416_100020603323 [0,2,0,0,0,0|2,0,0]=4 12296 B13R0.338 CCCSCCNC(=O)NCCCF 512a_100020603323_100015189416 [0,2,0,0,0,0|2,0,0]=4 12297 B13R0.338 CCCSCCNC(=O)NCCCO 2708a_100020603323_100000182051 [0,2,0,0,0,0|2,0,0]=4 12298 B13R0.338 CCCSCCNC(=O)NCCCO 273464a_100000182051_100020603323 [0,2,0,0,0,0|2,0,0]=4 12299 B13R0.338 CCCSCCNC(=O)NCCCO 273464a_100020603323_100000182051 [0,2,0,0,0,0|2,0,0]=4 12300 B13R0.338 CCCSCCNC(=O)NCCCO 512a_100020603323_100000182051 [0,2,0,0,0,0|2,0,0]=4 12301 B13R0.338 CCCSCCNC(=O)NCCOC 2708a_100020603323_100000209980 [0,2,0,0,0,0|2,0,0]=4 12302 B13R0.338 CCCSCCNC(=O)NCCOC 273464a_100000209980_100020603323 [0,2,0,0,0,0|2,0,0]=4 12303 B13R0.338 CCCSCCNC(=O)NCCOC 273464a_100020603323_100000209980 [0,2,0,0,0,0|2,0,0]=4 12304 B13R0.338 CCCSCCNC(=O)NCCSC 2708a_100020590264_100020603323 [0,2,0,0,0,0|2,0,0]=4 12305 B13R0.338 CCCSCCNC(=O)NCCSC 2708a_100020603323_100020590264 [0,2,0,0,0,0|2,0,0]=4 12306 B13R0.338 CCCSCCNC(=O)NCCSC 273464a_100020590264_100020603323 [0,2,0,0,0,0|2,0,0]=4 12307 B13R0.338 CCCSCCNC(=O)NCCSC 273464a_100020603323_100020590264 [0,2,0,0,0,0|2,0,0]=4 12308 B13R0.338 CCCSCCNC(=O)NCCSC 512a_100020590264_100020603323 [0,2,0,0,0,0|2,0,0]=4 12309 B13R0.338 CCCSCCNC(=O)NCCSC 512a_100020603323_100020590264 [0,2,0,0,0,0|2,0,0]=4 12310 B13R0.338 CCOCCC(=O)CCCCCC#N 1458a_100000749530_100009813376 [0,2,0,0,0,0|2,0,0]=4 12311 B13R0.338 CCOCCC(=O)CCCCCCF 1458a_100000749530_100015922095 [0,2,0,0,0,0|2,0,0]=4 12312 B13R0.338 CCOCCC(=O)CCCCCCO 1458a_100000749530_100000766143 [0,2,0,0,0,0|2,0,0]=4 12313 B13R0.338 CCOCCC(=O)CCCCCCO 1458a_100011996774_100011215890 [0,2,0,0,0,0|2,0,0]=4 12314 B13R0.338 CCOCCC(=O)CCCCCOC 1458a_100011935119_100011215890 [0,2,0,0,0,0|2,0,0]=4 12315 B13R0.338 CCOCCC(=O)CCOCCOC 1458a_100000745395_100011215890 [0,2,0,0,0,0|2,0,0]=4 12316 B13R0.338 CCOCCC(=O)CCOCCOC 1458a_100000749530_100000695917 [0,2,0,0,0,0|2,0,0]=4 12317 B13R0.338 CCOCCC(=O)NCCCCC#N 11a_100000751965_100000749530 [0,2,0,0,0,0|2,0,0]=4 12318 B13R0.338 CCOCCC(=O)NCCCCC#N 1626a_100000751965_100000749530 [0,2,0,0,0,0|2,0,0]=4 12319 B13R0.338 CCOCCC(=O)NCCCCC#N 240690a_100000751965_100000749530 [0,2,0,0,0,0|2,0,0]=4 12320 B13R0.338 CCOCCC(=O)NCCCCC#N 527a_100000751965_100000749530 [0,2,0,0,0,0|2,0,0]=4 12321 B13R0.338 CCOCCC(=O)NCCCCCO 240690a_100000762737_100000749530 [0,2,0,0,0,0|2,0,0]=4 12322 B13R0.338 CCOCCC(=O)NCCOCCO 240690a_100000211614_100000749530 [0,2,0,0,0,0|2,0,0]=4 12323 B13R0.338 CCOCCC(=O)NCCSCCO 240690a_100011219999_100000749530 [0,2,0,0,0,0|2,0,0]=4 12324 B13R0.338 CCOCCC(=O)NCCSCCO 527a_100011219999_100000749530 [0,2,0,0,0,0|2,0,0]=4 12325 B13R0.338 CCOCCC(=O)NNCCCOC 22a_100025702787_100000749530 [0,2,0,0,0,0|2,0,0]=4 12326 B13R0.338 CCOCCCNC(=O)CCCCO 1626a_100000210961_100000695505 [0,2,0,0,0,0|2,0,0]=4 12327 B13R0.338 CCOCCCNC(=O)CCCOC 11a_100000210961_100000741012 [0,2,0,0,0,0|2,0,0]=4 12328 B13R0.338 CCOCCCNC(=O)CCCOC 1626a_100000210961_100000741012 [0,2,0,0,0,0|2,0,0]=4 12329 B13R0.338 CCOCCCNC(=O)CCCOC 240690a_100000210961_100000741012 [0,2,0,0,0,0|2,0,0]=4 12330 B13R0.338 CCOCCCNC(=O)CCCOC 527a_100000210961_100000741012 [0,2,0,0,0,0|2,0,0]=4 12331 B13R0.338 CCOCCCNC(=O)CCCSC 11a_100000210961_100000173376 [0,2,0,0,0,0|2,0,0]=4 12332 B13R0.338 CCOCCCNC(=O)CCCSC 1626a_100000210961_100000173376 [0,2,0,0,0,0|2,0,0]=4 12333 B13R0.338 CCOCCCNC(=O)CCCSC 240690a_100000210961_100000173376 [0,2,0,0,0,0|2,0,0]=4 12334 B13R0.338 CCOCCCNC(=O)CCCSC 527a_100000210961_100000173376 [0,2,0,0,0,0|2,0,0]=4 12335 B13R0.338 CCOCCCNC(=O)CCOCC 11a_100000210961_100000749530 [0,2,0,0,0,0|2,0,0]=4 12336 B13R0.338 CCOCCCNC(=O)CCOCC 1626a_100000210961_100000749530 [0,2,0,0,0,0|2,0,0]=4 12337 B13R0.338 CCOCCCNC(=O)CCOCC 240690a_100000210961_100000749530 [0,2,0,0,0,0|2,0,0]=4 12338 B13R0.338 CCOCCCNC(=O)CCOCC 527a_100000210961_100000749530 [0,2,0,0,0,0|2,0,0]=4 12339 B13R0.338 CCOCCCNC(=O)CCSCC 11a_100000210961_100000230768 [0,2,0,0,0,0|2,0,0]=4 12340 B13R0.338 CCOCCCNC(=O)CCSCC 1626a_100000210961_100000230768 [0,2,0,0,0,0|2,0,0]=4 12341 B13R0.338 CCOCCCNC(=O)CCSCC 240690a_100000210961_100000230768 [0,2,0,0,0,0|2,0,0]=4 12342 B13R0.338 CCOCCCNC(=O)CCSCC 527a_100000210961_100000230768 [0,2,0,0,0,0|2,0,0]=4 12343 B13R0.338 CCOCCCNC(=O)NCCCF 2708a_100000210961_100015189416 [0,2,0,0,0,0|2,0,0]=4 12344 B13R0.338 CCOCCCNC(=O)NCCCF 2708a_100015189416_100000210961 [0,2,0,0,0,0|2,0,0]=4 12345 B13R0.338 CCOCCCNC(=O)NCCCF 273464a_100000210961_100015189416 [0,2,0,0,0,0|2,0,0]=4 12346 B13R0.338 CCOCCCNC(=O)NCCCF 273464a_100015189416_100000210961 [0,2,0,0,0,0|2,0,0]=4 12347 B13R0.338 CCOCCCNC(=O)NCCCF 512a_100000210961_100015189416 [0,2,0,0,0,0|2,0,0]=4 12348 B13R0.338 CCOCCCNC(=O)NCCCF 512a_100015189416_100000210961 [0,2,0,0,0,0|2,0,0]=4 12349 B13R0.338 CCOCCCNC(=O)NCCCO 2708a_100000210961_100000182051 [0,2,0,0,0,0|2,0,0]=4 12350 B13R0.338 CCOCCCNC(=O)NCCCO 273464a_100000182051_100000210961 [0,2,0,0,0,0|2,0,0]=4 12351 B13R0.338 CCOCCCNC(=O)NCCCO 273464a_100000210961_100000182051 [0,2,0,0,0,0|2,0,0]=4 12352 B13R0.338 CCOCCCNC(=O)NCCCO 512a_100000210961_100000182051 [0,2,0,0,0,0|2,0,0]=4 12353 B13R0.338 CCOCCCNC(=O)NCCOC 2708a_100000210961_100000209980 [0,2,0,0,0,0|2,0,0]=4 12354 B13R0.338 CCOCCCNC(=O)NCCOC 273464a_100000209980_100000210961 [0,2,0,0,0,0|2,0,0]=4 12355 B13R0.338 CCOCCCNC(=O)NCCOC 273464a_100000210961_100000209980 [0,2,0,0,0,0|2,0,0]=4 12356 B13R0.338 CCOCCCNC(=O)NCCSC 2708a_100000210961_100020590264 [0,2,0,0,0,0|2,0,0]=4 12357 B13R0.338 CCOCCCNC(=O)NCCSC 2708a_100020590264_100000210961 [0,2,0,0,0,0|2,0,0]=4 12358 B13R0.338 CCOCCCNC(=O)NCCSC 273464a_100000210961_100020590264 [0,2,0,0,0,0|2,0,0]=4 12359 B13R0.338 CCOCCCNC(=O)NCCSC 273464a_100020590264_100000210961 [0,2,0,0,0,0|2,0,0]=4 12360 B13R0.338 CCOCCCNC(=O)NCCSC 512a_100000210961_100020590264 [0,2,0,0,0,0|2,0,0]=4 12361 B13R0.338 CCOCCCNC(=O)NCCSC 512a_100020590264_100000210961 [0,2,0,0,0,0|2,0,0]=4 12362 B13R0.338 CCOCCNCC(=O)NCCOC 2230a_100000754632_100011215890 [0,2,0,0,0,0|2,0,0]=4 12363 B13R0.338 CCOCCNCC(=O)NCCOC 2230a_102516460346_100000183275 [0,2,0,0,0,0|2,0,0]=4 12364 B13R0.338 CCOCCNCC(=O)NCCOC 34a_102516460346_100000183275 [0,2,0,0,0,0|2,0,0]=4 12365 B13R0.338 CCOCCNCC(=O)OCCOC 2230a_102516460346_200000040189 [0,2,0,0,0,0|1,0,0]=3 12366 B13R0.338 CCOCCNCC(=O)OCCOC 34a_102516460346_200000040189 [0,2,0,0,0,0|1,0,0]=3 12367 B13R0.338 CCOCCNNC(=O)CCCOC 22a_100000732670_100000741012 [0,2,0,0,0,0|2,0,0]=4 12368 B13R0.338 CCOCCNNC(=O)CCCSC 22a_100000732670_100000173376 [0,2,0,0,0,0|2,0,0]=4 12369 B13R0.338 CCOCCNNC(=O)CCOCC 22a_100000732670_100000749530 [0,2,0,0,0,0|2,0,0]=4 12370 B13R0.338 CCOCCNNC(=O)CCSCC 22a_100000732670_100000230768 [0,2,0,0,0,0|2,0,0]=4 12371 B13R0.338 CCOCCOCC(=O)NCCOC 34a_100000210136_100000183275 [0,2,0,0,0,0|2,0,0]=4 12372 B13R0.338 CCOCCOCC(=O)NCCOC 7a_100000210136_100000183275 [0,2,0,0,0,0|2,0,0]=4 12373 B13R0.338 CCOCCOCC(=O)OCCOC 34a_100000210136_200000040189 [0,2,0,0,0,0|1,0,0]=3 12374 B13R0.338 CCOCCOCC(=O)OCCOC 7a_100000210136_200000040189 [0,2,0,0,0,0|1,0,0]=3 12375 B13R0.338 CCOCCSCC(=O)NCCOC 62a_100000183275_100011215890 [0,2,0,0,0,0|2,0,0]=4 12376 B13R0.338 CCOCCSCC(=O)NCCOC 62a_100000210147_100000183275 [0,2,0,0,0,0|2,0,0]=4 12377 B13R0.338 CCOCCSCC(=O)OCCOC 62a_100000210147_200000040189 [0,2,0,0,0,0|1,0,0]=3 12378 B13R0.338 CCOCCSCC(=O)OCCOC 62a_200000040189_100011215890 [0,2,0,0,0,0|1,0,0]=3 12379 B13R0.338 CCSCCC(=O)CCCCCC#N 1458a_100000230768_100009813376 [0,2,0,0,0,0|2,0,0]=4 12380 B13R0.338 CCSCCC(=O)CCCCCCF 1458a_100000230768_100015922095 [0,2,0,0,0,0|2,0,0]=4 12381 B13R0.338 CCSCCC(=O)CCCCCCO 1458a_100000230768_100000766143 [0,2,0,0,0,0|2,0,0]=4 12382 B13R0.338 CCSCCC(=O)CCCCCCO 1458a_100011996774_100000757381 [0,2,0,0,0,0|2,0,0]=4 12383 B13R0.338 CCSCCC(=O)CCCCCOC 1458a_100011935119_100000757381 [0,2,0,0,0,0|2,0,0]=4 12384 B13R0.338 CCSCCC(=O)CCOCCOC 1458a_100000230768_100000695917 [0,2,0,0,0,0|2,0,0]=4 12385 B13R0.338 CCSCCC(=O)CCOCCOC 1458a_100000745395_100000757381 [0,2,0,0,0,0|2,0,0]=4 12386 B13R0.338 CCSCCC(=O)NCCCCC#N 11a_100000751965_100000230768 [0,2,0,0,0,0|2,0,0]=4 12387 B13R0.338 CCSCCC(=O)NCCCCC#N 1626a_100000751965_100000230768 [0,2,0,0,0,0|2,0,0]=4 12388 B13R0.338 CCSCCC(=O)NCCCCC#N 240690a_100000751965_100000230768 [0,2,0,0,0,0|2,0,0]=4 12389 B13R0.338 CCSCCC(=O)NCCCCC#N 527a_100000751965_100000230768 [0,2,0,0,0,0|2,0,0]=4 12390 B13R0.338 CCSCCC(=O)NCCCCCO 240690a_100000762737_100000230768 [0,2,0,0,0,0|2,0,0]=4 12391 B13R0.338 CCSCCC(=O)NCCOCCO 240690a_100000211614_100000230768 [0,2,0,0,0,0|2,0,0]=4 12392 B13R0.338 CCSCCC(=O)NCCSCCO 240690a_100011219999_100000230768 [0,2,0,0,0,0|2,0,0]=4 12393 B13R0.338 CCSCCC(=O)NCCSCCO 527a_100011219999_100000230768 [0,2,0,0,0,0|2,0,0]=4 12394 B13R0.338 CCSCCC(=O)NNCCCOC 22a_100025702787_100000230768 [0,2,0,0,0,0|2,0,0]=4 12395 B13R0.338 CCSCCNCC(=O)NCCOC 2230a_100000106463_100000183275 [0,2,0,0,0,0|2,0,0]=4 12396 B13R0.338 CCSCCNCC(=O)NCCOC 2230a_100000754632_100000757381 [0,2,0,0,0,0|2,0,0]=4 12397 B13R0.338 CCSCCNCC(=O)OCCOC 2230a_100000106463_200000040189 [0,2,0,0,0,0|1,0,0]=3 12398 B13R0.338 CCSCCOCC(=O)NCCOC 34a_100000212035_100000183275 [0,2,0,0,0,0|2,0,0]=4 12399 B13R0.338 CCSCCOCC(=O)NCCOC 7a_100000212035_100000183275 [0,2,0,0,0,0|2,0,0]=4 12400 B13R0.338 CCSCCOCC(=O)OCCOC 34a_100000212035_200000040189 [0,2,0,0,0,0|1,0,0]=3 12401 B13R0.338 CCSCCOCC(=O)OCCOC 7a_100000212035_200000040189 [0,2,0,0,0,0|1,0,0]=3 12402 B13R0.338 CCSCCSCC(=O)NCCOC 62a_100000183275_100000757381 [0,2,0,0,0,0|2,0,0]=4 12403 B13R0.338 CCSCCSCC(=O)NCCOC 62a_100000757381_100000183275 [0,2,0,0,0,0|2,0,0]=4 12404 B13R0.338 CCSCCSCC(=O)OCCOC 62a_100000757381_200000040189 [0,2,0,0,0,0|1,0,0]=3 12405 B13R0.338 CCSCCSCC(=O)OCCOC 62a_200000040189_100000757381 [0,2,0,0,0,0|1,0,0]=3 12406 B13R0.338 CNCCCOCC(=O)NCCOC 34a_100000213112_100000183275 [0,2,0,0,0,0|2,0,0]=4 12407 B13R0.338 CNCCCOCC(=O)OCCOC 34a_100000213112_200000040189 [0,2,0,0,0,0|1,0,0]=3 12408 B13R0.338 COCCCC(=O)CCCCCC#N 1458a_100000741012_100009813376 [0,2,0,0,0,0|2,0,0]=4 12409 B13R0.338 COCCCC(=O)CCCCCCF 1458a_100000741012_100015922095 [0,2,0,0,0,0|2,0,0]=4 12410 B13R0.338 COCCCC(=O)CCCCCCO 1458a_100000741012_100000766143 [0,2,0,0,0,0|2,0,0]=4 12411 B13R0.338 COCCCC(=O)CCCCCCO 1458a_100011996774_100000740836 [0,2,0,0,0,0|2,0,0]=4 12412 B13R0.338 COCCCC(=O)CCOCCOC 1458a_100000741012_100000695917 [0,2,0,0,0,0|2,0,0]=4 12413 B13R0.338 COCCCC(=O)CCOCCOC 1458a_100000745395_100000740836 [0,2,0,0,0,0|2,0,0]=4 12414 B13R0.338 COCCCC(=O)NCCCCC#N 11a_100000751965_100000741012 [0,2,0,0,0,0|2,0,0]=4 12415 B13R0.338 COCCCC(=O)NCCCCC#N 1626a_100000751965_100000741012 [0,2,0,0,0,0|2,0,0]=4 12416 B13R0.338 COCCCC(=O)NCCCCC#N 240690a_100000751965_100000741012 [0,2,0,0,0,0|2,0,0]=4 12417 B13R0.338 COCCCC(=O)NCCCCC#N 527a_100000751965_100000741012 [0,2,0,0,0,0|2,0,0]=4 12418 B13R0.338 COCCCC(=O)NCCCCCO 240690a_100000762737_100000741012 [0,2,0,0,0,0|2,0,0]=4 12419 B13R0.338 COCCCC(=O)NCCOCCO 240690a_100000211614_100000741012 [0,2,0,0,0,0|2,0,0]=4 12420 B13R0.338 COCCCC(=O)NCCSCCO 240690a_100011219999_100000741012 [0,2,0,0,0,0|2,0,0]=4 12421 B13R0.338 COCCCC(=O)NCCSCCO 527a_100011219999_100000741012 [0,2,0,0,0,0|2,0,0]=4 12422 B13R0.338 COCCCCCC(=O)CCCCF 1458a_100011935119_100000729493 [0,2,0,0,0,0|2,0,0]=4 12423 B13R0.338 COCCCCCC(=O)CCCCO 1458a_100011935119_100000210776 [0,2,0,0,0,0|2,0,0]=4 12424 B13R0.338 COCCCCCC(=O)CCCOC 1458a_100011935119_100000740836 [0,2,0,0,0,0|2,0,0]=4 12425 B13R0.338 COCCCCCC(=O)NCCCF 11a_100015189416_100011935119 [0,2,0,0,0,0|2,0,0]=4 12426 B13R0.338 COCCCCCC(=O)NCCCF 1626a_100015189416_100011935119 [0,2,0,0,0,0|2,0,0]=4 12427 B13R0.338 COCCCCCC(=O)NCCCF 240690a_100015189416_100011935119 [0,2,0,0,0,0|2,0,0]=4 12428 B13R0.338 COCCCCCC(=O)NCCCF 527a_100015189416_100011935119 [0,2,0,0,0,0|2,0,0]=4 12429 B13R0.338 COCCCCCC(=O)NCCCO 240690a_100000182051_100011935119 [0,2,0,0,0,0|2,0,0]=4 12430 B13R0.338 COCCCCCC(=O)NCCCO 527a_100000182051_100011935119 [0,2,0,0,0,0|2,0,0]=4 12431 B13R0.338 COCCCCCC(=O)NCCOC 1626a_100000209980_100011935119 [0,2,0,0,0,0|2,0,0]=4 12432 B13R0.338 COCCCCCC(=O)NCCOC 240690a_100000209980_100011935119 [0,2,0,0,0,0|2,0,0]=4 12433 B13R0.338 COCCCCCC(=O)NCCOC 527a_100000209980_100011935119 [0,2,0,0,0,0|2,0,0]=4 12434 B13R0.338 COCCCCCC(=O)NCCSC 11a_100020590264_100011935119 [0,2,0,0,0,0|2,0,0]=4 12435 B13R0.338 COCCCCCC(=O)NCCSC 1626a_100020590264_100011935119 [0,2,0,0,0,0|2,0,0]=4 12436 B13R0.338 COCCCCCC(=O)NCCSC 240690a_100020590264_100011935119 [0,2,0,0,0,0|2,0,0]=4 12437 B13R0.338 COCCCCCC(=O)NCCSC 527a_100020590264_100011935119 [0,2,0,0,0,0|2,0,0]=4 12438 B13R0.338 COCCCNCC(=O)NCCOC 2230a_100000754632_100000740836 [0,2,0,0,0,0|2,0,0]=4 12439 B13R0.338 COCCCNCC(=O)NCCOC 34a_100150723488_100000183275 [0,2,0,0,0,0|2,0,0]=4 12440 B13R0.338 COCCCNCC(=O)OCCOC 34a_100150723488_200000040189 [0,2,0,0,0,0|1,0,0]=3 12441 B13R0.338 COCCCNNC(=O)CCCOC 22a_100025702787_100000741012 [0,2,0,0,0,0|2,0,0]=4 12442 B13R0.338 COCCCNNC(=O)CCCSC 22a_100025702787_100000173376 [0,2,0,0,0,0|2,0,0]=4 12443 B13R0.338 COCCCOCC(=O)NCCOC 34a_100000740835_100000183275 [0,2,0,0,0,0|2,0,0]=4 12444 B13R0.338 COCCCOCC(=O)OCCOC 34a_100000740835_200000040189 [0,2,0,0,0,0|1,0,0]=3 12445 B13R0.338 COCCCSCC(=O)NCCOC 62a_100000183275_100000709357 [0,2,0,0,0,0|2,0,0]=4 12446 B13R0.338 COCCCSCC(=O)NCCOC 62a_100000709357_100000183275 [0,2,0,0,0,0|2,0,0]=4 12447 B13R0.338 COCCCSCC(=O)OCCOC 62a_100000709357_200000040189 [0,2,0,0,0,0|1,0,0]=3 12448 B13R0.338 COCCCSCC(=O)OCCOC 62a_200000040189_100000709357 [0,2,0,0,0,0|1,0,0]=3 12449 B13R0.338 COCCNC(=O)CCCCCCO 240690a_100000209980_100011996774 [0,2,0,0,0,0|2,0,0]=4 12450 B13R0.338 COCCNC(=O)CCOCCOC 1626a_100000209980_100000745395 [0,2,0,0,0,0|2,0,0]=4 12451 B13R0.338 COCCNC(=O)CCOCCOC 240690a_100000209980_100000745395 [0,2,0,0,0,0|2,0,0]=4 12452 B13R0.338 COCCNC(=O)CCOCCOC 527a_100000209980_100000745395 [0,2,0,0,0,0|2,0,0]=4 12453 B13R0.338 COCCNC(=O)CNCCCCF 2230a_100000754632_100000729493 [0,2,0,0,0,0|2,0,0]=4 12454 B13R0.338 COCCNC(=O)CNCCCCO 2230a_100000750430_100000183275 [0,2,0,0,0,0|2,0,0]=4 12455 B13R0.338 COCCNC(=O)CNCCCCO 2230a_100000754632_100000210776 [0,2,0,0,0,0|2,0,0]=4 12456 B13R0.338 COCCNC(=O)CNCCCCO 34a_100000750430_100000183275 [0,2,0,0,0,0|2,0,0]=4 12457 B13R0.338 COCCNC(=O)CNCCCSC 2230a_100000749238_100000183275 [0,2,0,0,0,0|2,0,0]=4 12458 B13R0.338 COCCNC(=O)COCCCCBr 34a_100011216708_100000183275 [0,2,0,0,0,0|2,0,0]=4 12459 B13R0.338 COCCNC(=O)COCCCCCl 34a_100000210776_100000183275 [0,2,0,0,0,0|2,0,0]=4 12460 B13R0.338 COCCNC(=O)COCCCCCl 7a_100000210776_100000183275 [0,2,0,0,0,0|2,0,0]=4 12461 B13R0.338 COCCNC(=O)COCCCCF 34a_100011995726_100000183275 [0,2,0,0,0,0|2,0,0]=4 12462 B13R0.338 COCCNC(=O)COCCCCF 7a_100011995726_100000183275 [0,2,0,0,0,0|2,0,0]=4 12463 B13R0.338 COCCNC(=O)COCCCCI 34a_200012148704_100000183275 [0,2,0,0,0,0|2,0,0]=4 12464 B13R0.338 COCCNC(=O)COCCCCN 34a_100000750430_100000183275 [0,2,0,0,0,0|2,0,0]=4 12465 B13R0.338 COCCNC(=O)COCCCSC 34a_100000690336_100000183275 [0,2,0,0,0,0|2,0,0]=4 12466 B13R0.338 COCCNC(=O)COCCCSC 7a_100000690336_100000183275 [0,2,0,0,0,0|2,0,0]=4 12467 B13R0.338 COCCNC(=O)CSCCCCF 62a_100000183275_100000729493 [0,2,0,0,0,0|2,0,0]=4 12468 B13R0.338 COCCNC(=O)CSCCCCF 62a_100000729493_100000183275 [0,2,0,0,0,0|2,0,0]=4 12469 B13R0.338 COCCNC(=O)CSCCCCO 62a_100000183275_100000210776 [0,2,0,0,0,0|2,0,0]=4 12470 B13R0.338 COCCNC(=O)CSCCCCO 62a_100000210776_100000183275 [0,2,0,0,0,0|2,0,0]=4 12471 B13R0.338 COCCNC(=O)NCCCCCO 273464a_100000209980_100000762737 [0,2,0,0,0,0|2,0,0]=4 12472 B13R0.338 COCCNC(=O)NCCCCCO 273464a_100000762737_100000209980 [0,2,0,0,0,0|2,0,0]=4 12473 B13R0.338 COCCOC(=O)CNCCCCO 2230a_100000750430_200000040189 [0,2,0,0,0,0|1,0,0]=3 12474 B13R0.338 COCCOC(=O)CNCCCCO 34a_100000750430_200000040189 [0,2,0,0,0,0|1,0,0]=3 12475 B13R0.338 COCCOC(=O)CNCCCSC 2230a_100000749238_200000040189 [0,2,0,0,0,0|1,0,0]=3 12476 B13R0.338 COCCOC(=O)COCCCCBr 34a_100011216708_200000040189 [0,2,0,0,0,0|1,0,0]=3 12477 B13R0.338 COCCOC(=O)COCCCCCl 34a_100000210776_200000040189 [0,2,0,0,0,0|1,0,0]=3 12478 B13R0.338 COCCOC(=O)COCCCCCl 7a_100000210776_200000040189 [0,2,0,0,0,0|1,0,0]=3 12479 B13R0.338 COCCOC(=O)COCCCCF 34a_100011995726_200000040189 [0,2,0,0,0,0|1,0,0]=3 12480 B13R0.338 COCCOC(=O)COCCCCF 7a_100011995726_200000040189 [0,2,0,0,0,0|1,0,0]=3 12481 B13R0.338 COCCOC(=O)COCCCCI 34a_200012148704_200000040189 [0,2,0,0,0,0|1,0,0]=3 12482 B13R0.338 COCCOC(=O)COCCCCN 34a_100000750430_200000040189 [0,2,0,0,0,0|1,0,0]=3 12483 B13R0.338 COCCOC(=O)COCCCSC 34a_100000690336_200000040189 [0,2,0,0,0,0|1,0,0]=3 12484 B13R0.338 COCCOC(=O)COCCCSC 7a_100000690336_200000040189 [0,2,0,0,0,0|1,0,0]=3 12485 B13R0.338 COCCOC(=O)CSCCCC#N 62a_100000687738_200000040189 [0,2,0,0,0,0|1,0,1]=4 12486 B13R0.338 COCCOC(=O)CSCCCC#N 62a_200000040189_100000687738 [0,2,0,0,0,0|1,0,1]=4 12487 B13R0.338 COCCOC(=O)CSCCCC=O 62a_200000040189_200011292268 [0,2,0,0,0,0|1,0,1]=4 12488 B13R0.338 COCCOC(=O)CSCCCC=O 62a_200011292268_200000040189 [0,2,0,0,0,0|1,0,1]=4 12489 B13R0.338 COCCOC(=O)CSCCCCF 62a_100000729493_200000040189 [0,2,0,0,0,0|1,0,0]=3 12490 B13R0.338 COCCOC(=O)CSCCCCF 62a_200000040189_100000729493 [0,2,0,0,0,0|1,0,0]=3 12491 B13R0.338 COCCOC(=O)CSCCCCO 62a_100000210776_200000040189 [0,2,0,0,0,0|1,0,0]=3 12492 B13R0.338 COCCOC(=O)CSCCCCO 62a_200000040189_100000210776 [0,2,0,0,0,0|1,0,0]=3 12493 B13R0.338 COCCOCCC(=O)CCCCF 1458a_100000745395_100000729493 [0,2,0,0,0,0|2,0,0]=4 12494 B13R0.338 COCCOCCC(=O)CCCCO 1458a_100000695505_100000695917 [0,2,0,0,0,0|2,0,0]=4 12495 B13R0.338 COCCOCCC(=O)CCCCO 1458a_100000745395_100000210776 [0,2,0,0,0,0|2,0,0]=4 12496 B13R0.338 COCCOCCC(=O)CCCSC 1458a_100000173376_100000695917 [0,2,0,0,0,0|2,0,0]=4 12497 B13R0.338 COCCOCCC(=O)NCCCF 11a_100015189416_100000745395 [0,2,0,0,0,0|2,0,0]=4 12498 B13R0.338 COCCOCCC(=O)NCCCF 1626a_100015189416_100000745395 [0,2,0,0,0,0|2,0,0]=4 12499 B13R0.338 COCCOCCC(=O)NCCCF 240690a_100015189416_100000745395 [0,2,0,0,0,0|2,0,0]=4 12500 B13R0.338 COCCOCCC(=O)NCCCF 527a_100015189416_100000745395 [0,2,0,0,0,0|2,0,0]=4 12501 B13R0.338 COCCOCCC(=O)NCCCO 240690a_100000182051_100000745395 [0,2,0,0,0,0|2,0,0]=4 12502 B13R0.338 COCCOCCC(=O)NCCCO 527a_100000182051_100000745395 [0,2,0,0,0,0|2,0,0]=4 12503 B13R0.338 COCCOCCC(=O)NCCSC 11a_100020590264_100000745395 [0,2,0,0,0,0|2,0,0]=4 12504 B13R0.338 COCCOCCC(=O)NCCSC 1626a_100020590264_100000745395 [0,2,0,0,0,0|2,0,0]=4 12505 B13R0.338 COCCOCCC(=O)NCCSC 240690a_100020590264_100000745395 [0,2,0,0,0,0|2,0,0]=4 12506 B13R0.338 COCCOCCC(=O)NCCSC 527a_100020590264_100000745395 [0,2,0,0,0,0|2,0,0]=4 12507 B13R0.338 CSCCCC(=O)CCCCCC#N 1458a_100000173376_100009813376 [0,2,0,0,0,0|2,0,0]=4 12508 B13R0.338 CSCCCC(=O)CCCCCCF 1458a_100000173376_100015922095 [0,2,0,0,0,0|2,0,0]=4 12509 B13R0.338 CSCCCC(=O)CCCCCCO 1458a_100000173376_100000766143 [0,2,0,0,0,0|2,0,0]=4 12510 B13R0.338 CSCCCC(=O)NCCCCC#N 11a_100000751965_100000173376 [0,2,0,0,0,0|2,0,0]=4 12511 B13R0.338 CSCCCC(=O)NCCCCC#N 1626a_100000751965_100000173376 [0,2,0,0,0,0|2,0,0]=4 12512 B13R0.338 CSCCCC(=O)NCCCCC#N 240690a_100000751965_100000173376 [0,2,0,0,0,0|2,0,0]=4 12513 B13R0.338 CSCCCC(=O)NCCCCC#N 527a_100000751965_100000173376 [0,2,0,0,0,0|2,0,0]=4 12514 B13R0.338 CSCCCC(=O)NCCCCCO 240690a_100000762737_100000173376 [0,2,0,0,0,0|2,0,0]=4 12515 B13R0.338 CSCCCC(=O)NCCOCCO 240690a_100000211614_100000173376 [0,2,0,0,0,0|2,0,0]=4 12516 B13R0.338 CSCCCC(=O)NCCSCCO 240690a_100011219999_100000173376 [0,2,0,0,0,0|2,0,0]=4 12517 B13R0.338 CSCCCC(=O)NCCSCCO 527a_100011219999_100000173376 [0,2,0,0,0,0|2,0,0]=4 12518 B13R0.338 CSCCNC(=O)CCCCCCO 240690a_100020590264_100011996774 [0,2,0,0,0,0|2,0,0]=4 12519 B13R0.338 CSCCNC(=O)NCCCCCO 2708a_100020590264_100000762737 [0,2,0,0,0,0|2,0,0]=4 12520 B13R0.338 CSCCNC(=O)NCCCCCO 273464a_100000762737_100020590264 [0,2,0,0,0,0|2,0,0]=4 12521 B13R0.338 CSCCNC(=O)NCCCCCO 273464a_100020590264_100000762737 [0,2,0,0,0,0|2,0,0]=4 12522 B13R0.338 CSCCNC(=O)NCCCCCO 512a_100000762737_100020590264 [0,2,0,0,0,0|2,0,0]=4 12523 B13R0.338 CSCCNC(=O)NCCCCCO 512a_100020590264_100000762737 [0,2,0,0,0,0|2,0,0]=4 12524 B13R0.338 N#CCCCCCC(=O)CCCCO 1458a_100000695505_100009813376 [0,2,0,0,0,0|2,0,0]=4 12525 B13R0.338 N#CCCCCNC(=O)CCCCO 1626a_100000751965_100000695505 [0,2,0,0,0,0|2,0,0]=4 12526 B13R0.338 O=C(CCCCCCO)NCCCF 240690a_100015189416_100011996774 [0,2,0,0,0,0|2,0,0]=4 12527 B13R0.338 O=C(CCCCCCO)NCCCO 240690a_100000182051_100011996774 [0,2,0,0,0,0|2,0,0]=4 12528 B13R0.338 O=C(CCCCF)CCCCCCO 1458a_100011996774_100000729493 [0,2,0,0,0,0|2,0,0]=4 12529 B13R0.338 O=C(CCCCO)CCCCCCF 1458a_100000695505_100015922095 [0,2,0,0,0,0|2,0,0]=4 12530 B13R0.338 O=C(CCCCO)CCCCCCO 1458a_100000695505_100000766143 [0,2,0,0,0,0|2,0,0]=4 12531 B13R0.338 O=C(CCCCO)CCCCCCO 1458a_100011996774_100000210776 [0,2,0,0,0,0|2,0,0]=4 12532 B13R0.338 O=C(NCCCF)NCCCCCO 2708a_100015189416_100000762737 [0,2,0,0,0,0|2,0,0]=4 12533 B13R0.338 O=C(NCCCF)NCCCCCO 273464a_100000762737_100015189416 [0,2,0,0,0,0|2,0,0]=4 12534 B13R0.338 O=C(NCCCF)NCCCCCO 273464a_100015189416_100000762737 [0,2,0,0,0,0|2,0,0]=4 12535 B13R0.338 O=C(NCCCF)NCCCCCO 512a_100000762737_100015189416 [0,2,0,0,0,0|2,0,0]=4 12536 B13R0.338 O=C(NCCCF)NCCCCCO 512a_100015189416_100000762737 [0,2,0,0,0,0|2,0,0]=4 12537 B13R0.338 O=C(NCCCO)NCCCCCO 273464a_100000182051_100000762737 [0,2,0,0,0,0|2,0,0]=4 12538 B13R0.338 O=C(NCCCO)NCCCCCO 273464a_100000762737_100000182051 [0,2,0,0,0,0|2,0,0]=4 12539 B13R0.338 O=C(NCCCO)NCCCCCO 512a_100000762737_100000182051 [0,2,0,0,0,0|2,0,0]=4 12540 B13R0.398 C#CCCNC(C)C(=O)OCCCC 34a_100000755551_100000759602 [0,2,0,0,0,0|0,0,2]=4 12541 B13R0.398 C#CCCOC(C)C(=O)OCCCC 34a_100000038973_100000688953 [0,2,0,0,0,0|0,0,2]=4 12542 B13R0.398 C#CCCOC(C)C(=O)OCCCC 34a_100011215631_100000759602 [0,2,0,0,0,0|0,0,2]=4 12543 B13R0.398 C#CCCOC(C)C(=O)OCCCC 7a_100000038973_100000688953 [0,2,0,0,0,0|0,0,2]=4 12544 B13R0.398 C#CCCSC(C)C(=O)OCCCC 62a_100000688953_100000759602 [0,2,0,0,0,0|0,0,2]=4 12545 B13R0.398 C#CCCSC(C)C(=O)OCCCC 62a_100000759602_100000688953 [0,2,0,0,0,0|0,0,2]=4 12546 B13R0.398 C/C=C/COC(C)C(=O)OCCCC 34a_100000038973_100102629194 [0,2,0,0,0,0|0,0,2]=4 12547 B13R0.398 C/C=C/COC(C)C(=O)OCCCC 34a_100016270725_100000759602 [0,2,0,0,0,0|0,0,2]=4 12548 B13R0.398 C/C=C/COC(C)C(=O)OCCCC 7a_100000038973_100102629194 [0,2,0,0,0,0|0,0,2]=4 12549 B13R0.398 C/C=C/CSC(C)C(=O)OCCCC 62a_100000759602_100102629194 [0,2,0,0,0,0|0,0,2]=4 12550 B13R0.398 C/C=C/CSC(C)C(=O)OCCCC 62a_100102629194_100000759602 [0,2,0,0,0,0|0,0,2]=4 12551 B13R0.398 C=CCCNC(C)C(=O)OCCCC 2230a_100015191253_100000759602 [0,2,0,0,0,0|0,0,2]=4 12552 B13R0.398 C=CCCOC(C)C(=O)OCCCC 34a_100000038973_100000754431 [0,2,0,0,0,0|0,0,2]=4 12553 B13R0.398 C=CCCOC(C)C(=O)OCCCC 34a_100011205117_100000759602 [0,2,0,0,0,0|0,0,2]=4 12554 B13R0.398 C=CCCOC(C)C(=O)OCCCC 7a_100000038973_100000754431 [0,2,0,0,0,0|0,0,2]=4 12555 B13R0.398 C=CCCSC(C)C(=O)OCCCC 62a_100000754431_100000759602 [0,2,0,0,0,0|0,0,2]=4 12556 B13R0.398 C=CCCSC(C)C(=O)OCCCC 62a_100000759602_100000754431 [0,2,0,0,0,0|0,0,2]=4 12557 B13R0.398 CC#CCNC(C)C(=O)OCCCC 2230a_100000685387_100000759602 [0,2,0,0,0,0|0,0,2]=4 12558 B13R0.398 CC#CCNC(C)C(=O)OCCCC 34a_100000685387_100000759602 [0,2,0,0,0,0|0,0,2]=4 12559 B13R0.398 CC#CCOC(C)C(=O)OCCCC 34a_100000038973_100000748600 [0,2,0,0,0,0|0,0,2]=4 12560 B13R0.398 CC#CCOC(C)C(=O)OCCCC 34a_100000761923_100000759602 [0,2,0,0,0,0|0,0,2]=4 12561 B13R0.398 CC#CCOC(C)C(=O)OCCCC 7a_100000038973_100000748600 [0,2,0,0,0,0|0,0,2]=4 12562 B13R0.398 CC#CCSC(C)C(=O)OCCCC 62a_100000748600_100000759602 [0,2,0,0,0,0|0,0,2]=4 12563 B13R0.398 CC#CCSC(C)C(=O)OCCCC 62a_100000759602_100000748600 [0,2,0,0,0,0|0,0,2]=4 12564 B13R0.398 CC=CCOC(C)C(=O)OCCCC 34a_100000038973_100000070051 [0,2,0,0,0,0|0,0,2]=4 12565 B13R0.398 CC=CCOC(C)C(=O)OCCCC 7a_100000038973_100000070051 [0,2,0,0,0,0|0,0,2]=4 12566 B13R0.398 CC=CCSC(C)C(=O)OCCCC 62a_100000070051_100000759602 [0,2,0,0,0,0|0,0,2]=4 12567 B13R0.398 CC=CCSC(C)C(=O)OCCCC 62a_100000759602_100000070051 [0,2,0,0,0,0|0,0,2]=4 12568 B13R0.398 CCCC#CC(=O)C(C)CCCCC 1458a_200011218047_200011218191 [0,2,0,0,0,0|1,0,1]=4 12569 B13R0.398 CCCC#CC(=O)N(C)CCCCC 240690a_100000223495_200011218047 [0,2,0,0,0,0|1,0,1]=4 12570 B13R0.398 CCCC=CC(=O)C(C)CCCCC 1458a_100000212230_200011218191 [0,2,0,0,0,0|1,0,1]=4 12571 B13R0.398 CCCC=CC(=O)N(C)CCCCC 11a_100000223495_100000212230 [0,2,0,0,0,0|1,0,1]=4 12572 B13R0.398 CCCC=CC(=O)N(C)CCCCC 1626a_100000223495_100000212230 [0,2,0,0,0,0|1,0,1]=4 12573 B13R0.398 CCCC=CC(=O)N(C)CCCCC 240690a_100000223495_100000212230 [0,2,0,0,0,0|1,0,1]=4 12574 B13R0.398 CCCCCC(=O)C(C)CCCCC 1458a_100000212188_200011218191 [0,2,0,0,0,0|1,0,0]=3 12575 B13R0.398 CCCCCC(=O)C(C)CCCCC 1458a_100011215998_100000210326 [0,2,0,0,0,0|1,0,0]=3 12576 B13R0.398 CCCCCC(=O)C(C)SCCCC 1458a_100000191163_100000210326 [0,2,0,0,0,0|0,1,0]=3 12577 B13R0.398 CCCCCC(=O)N(C)CCCCC 11a_100000223495_100000212188 [0,2,0,0,0,0|1,0,0]=3 12578 B13R0.398 CCCCCC(=O)N(C)CCCCC 1626a_100000223495_100000212188 [0,2,0,0,0,0|1,0,0]=3 12579 B13R0.398 CCCCCC(=O)N(C)CCCCC 240690a_100000223495_100000212188 [0,2,0,0,0,0|1,0,0]=3 12580 B13R0.398 CCCCCC(=O)N(C)CCCCC 527a_100000223495_100000212188 [0,2,0,0,0,0|1,0,0]=3 12581 B13R0.398 CCCCCC(=O)N(C)CCCCO 240690a_100000717598_100000212188 [0,2,0,0,0,0|1,0,0]=3 12582 B13R0.398 CCCCCC(=O)N(C)CCCOC 11a_100000224831_100000212188 [0,2,0,0,0,0|1,0,0]=3 12583 B13R0.398 CCCCCC(=O)N(C)CCCOC 1626a_100000224831_100000212188 [0,2,0,0,0,0|1,0,0]=3 12584 B13R0.398 CCCCCC(=O)N(C)CCCOC 240690a_100000224831_100000212188 [0,2,0,0,0,0|1,0,0]=3 12585 B13R0.398 CCCCCC(=O)N(C)CCCOC 527a_100000224831_100000212188 [0,2,0,0,0,0|1,0,0]=3 12586 B13R0.398 CCCCCC(C)C(=O)CCCCF 1458a_100011215998_100000729493 [0,2,0,0,0,0|2,0,0]=4 12587 B13R0.398 CCCCCC(C)C(=O)CCCCO 1458a_100000695505_200011218191 [0,2,0,0,0,0|2,0,0]=4 12588 B13R0.398 CCCCCC(C)C(=O)CCCCO 1458a_100011215998_100000210776 [0,2,0,0,0,0|2,0,0]=4 12589 B13R0.398 CCCCCC(C)C(=O)CCCOC 1458a_100000741012_200011218191 [0,2,0,0,0,0|2,0,0]=4 12590 B13R0.398 CCCCCC(C)C(=O)CCCOC 1458a_100011215998_100000740836 [0,2,0,0,0,0|2,0,0]=4 12591 B13R0.398 CCCCCC(C)C(=O)CCCSC 1458a_100000173376_200011218191 [0,2,0,0,0,0|2,0,0]=4 12592 B13R0.398 CCCCCC(C)C(=O)CCOCC 1458a_100000749530_200011218191 [0,2,0,0,0,0|2,0,0]=4 12593 B13R0.398 CCCCCC(C)C(=O)CCOCC 1458a_100011215998_100011215890 [0,2,0,0,0,0|2,0,0]=4 12594 B13R0.398 CCCCCC(C)C(=O)CCSCC 1458a_100000230768_200011218191 [0,2,0,0,0,0|2,0,0]=4 12595 B13R0.398 CCCCCC(C)C(=O)CCSCC 1458a_100011215998_100000757381 [0,2,0,0,0,0|2,0,0]=4 12596 B13R0.398 CCCCCC(C)C(=O)COCCC 1458a_100000745993_200011218191 [0,2,0,0,0,0|2,0,0]=4 12597 B13R0.398 CCCCCC(C)C(=O)CSCCC 1458a_100000217233_200011218191 [0,2,0,0,0,0|2,0,0]=4 12598 B13R0.398 CCCCCC(C)C(=O)NCCCC 11a_100000102301_100011215998 [0,2,0,0,0,0|1,0,0]=3 12599 B13R0.398 CCCCCC(C)C(=O)NCCCC 1626a_100000102301_100011215998 [0,2,0,0,0,0|1,0,0]=3 12600 B13R0.398 CCCCCC(C)C(=O)NCCCC 240690a_100000102301_100011215998 [0,2,0,0,0,0|1,0,0]=3 12601 B13R0.398 CCCCCC(C)C(=O)NCCCC 527a_100000102301_100011215998 [0,2,0,0,0,0|1,0,0]=3 12602 B13R0.398 CCCCCC(C)C(=O)NCCCF 11a_100015189416_100011215998 [0,2,0,0,0,0|2,0,0]=4 12603 B13R0.398 CCCCCC(C)C(=O)NCCCF 1626a_100015189416_100011215998 [0,2,0,0,0,0|2,0,0]=4 12604 B13R0.398 CCCCCC(C)C(=O)NCCCF 240690a_100015189416_100011215998 [0,2,0,0,0,0|2,0,0]=4 12605 B13R0.398 CCCCCC(C)C(=O)NCCCF 527a_100015189416_100011215998 [0,2,0,0,0,0|2,0,0]=4 12606 B13R0.398 CCCCCC(C)C(=O)NCCCO 240690a_100000182051_100011215998 [0,2,0,0,0,0|2,0,0]=4 12607 B13R0.398 CCCCCC(C)C(=O)NCCCO 527a_100000182051_100011215998 [0,2,0,0,0,0|2,0,0]=4 12608 B13R0.398 CCCCCC(C)C(=O)NCCOC 1626a_100000209980_100011215998 [0,2,0,0,0,0|2,0,0]=4 12609 B13R0.398 CCCCCC(C)C(=O)NCCOC 240690a_100000209980_100011215998 [0,2,0,0,0,0|2,0,0]=4 12610 B13R0.398 CCCCCC(C)C(=O)NCCOC 527a_100000209980_100011215998 [0,2,0,0,0,0|2,0,0]=4 12611 B13R0.398 CCCCCC(C)C(=O)NCCSC 11a_100020590264_100011215998 [0,2,0,0,0,0|2,0,0]=4 12612 B13R0.398 CCCCCC(C)C(=O)NCCSC 1626a_100020590264_100011215998 [0,2,0,0,0,0|2,0,0]=4 12613 B13R0.398 CCCCCC(C)C(=O)NCCSC 240690a_100020590264_100011215998 [0,2,0,0,0,0|2,0,0]=4 12614 B13R0.398 CCCCCC(C)C(=O)NCCSC 527a_100020590264_100011215998 [0,2,0,0,0,0|2,0,0]=4 12615 B13R0.398 CCCCCC(C)C(=O)NNCCC 22a_100000740057_100011215998 [0,2,0,0,0,0|2,0,0]=4 12616 B13R0.398 CCCCCN(C)C(=O)CCCCO 1626a_100000223495_100000695505 [0,2,0,0,0,0|2,0,0]=4 12617 B13R0.398 CCCCCN(C)C(=O)CCCOC 11a_100000223495_100000741012 [0,2,0,0,0,0|2,0,0]=4 12618 B13R0.398 CCCCCN(C)C(=O)CCCOC 1626a_100000223495_100000741012 [0,2,0,0,0,0|2,0,0]=4 12619 B13R0.398 CCCCCN(C)C(=O)CCCOC 240690a_100000223495_100000741012 [0,2,0,0,0,0|2,0,0]=4 12620 B13R0.398 CCCCCN(C)C(=O)CCCOC 527a_100000223495_100000741012 [0,2,0,0,0,0|2,0,0]=4 12621 B13R0.398 CCCCCN(C)C(=O)CCCSC 11a_100000223495_100000173376 [0,2,0,0,0,0|2,0,0]=4 12622 B13R0.398 CCCCCN(C)C(=O)CCCSC 1626a_100000223495_100000173376 [0,2,0,0,0,0|2,0,0]=4 12623 B13R0.398 CCCCCN(C)C(=O)CCCSC 240690a_100000223495_100000173376 [0,2,0,0,0,0|2,0,0]=4 12624 B13R0.398 CCCCCN(C)C(=O)CCCSC 527a_100000223495_100000173376 [0,2,0,0,0,0|2,0,0]=4 12625 B13R0.398 CCCCCN(C)C(=O)CCOCC 11a_100000223495_100000749530 [0,2,0,0,0,0|2,0,0]=4 12626 B13R0.398 CCCCCN(C)C(=O)CCOCC 1626a_100000223495_100000749530 [0,2,0,0,0,0|2,0,0]=4 12627 B13R0.398 CCCCCN(C)C(=O)CCOCC 240690a_100000223495_100000749530 [0,2,0,0,0,0|2,0,0]=4 12628 B13R0.398 CCCCCN(C)C(=O)CCOCC 527a_100000223495_100000749530 [0,2,0,0,0,0|2,0,0]=4 12629 B13R0.398 CCCCCN(C)C(=O)CCSCC 11a_100000223495_100000230768 [0,2,0,0,0,0|2,0,0]=4 12630 B13R0.398 CCCCCN(C)C(=O)CCSCC 1626a_100000223495_100000230768 [0,2,0,0,0,0|2,0,0]=4 12631 B13R0.398 CCCCCN(C)C(=O)CCSCC 240690a_100000223495_100000230768 [0,2,0,0,0,0|2,0,0]=4 12632 B13R0.398 CCCCCN(C)C(=O)CCSCC 527a_100000223495_100000230768 [0,2,0,0,0,0|2,0,0]=4 12633 B13R0.398 CCCCCN(C)C(=O)COCCC 11a_100000223495_100000745993 [0,2,0,0,0,0|2,0,0]=4 12634 B13R0.398 CCCCCN(C)C(=O)COCCC 1626a_100000223495_100000745993 [0,2,0,0,0,0|2,0,0]=4 12635 B13R0.398 CCCCCN(C)C(=O)COCCC 240690a_100000223495_100000745993 [0,2,0,0,0,0|2,0,0]=4 12636 B13R0.398 CCCCCN(C)C(=O)COCCC 527a_100000223495_100000745993 [0,2,0,0,0,0|2,0,0]=4 12637 B13R0.398 CCCCCN(C)C(=O)CSCCC 11a_100000223495_100000217233 [0,2,0,0,0,0|2,0,0]=4 12638 B13R0.398 CCCCCN(C)C(=O)CSCCC 1626a_100000223495_100000217233 [0,2,0,0,0,0|2,0,0]=4 12639 B13R0.398 CCCCCN(C)C(=O)CSCCC 240690a_100000223495_100000217233 [0,2,0,0,0,0|2,0,0]=4 12640 B13R0.398 CCCCCN(C)C(=O)CSCCC 527a_100000223495_100000217233 [0,2,0,0,0,0|2,0,0]=4 12641 B13R0.398 CCCCCN(C)C(=O)NCCCC 2708a_100000102301_100000223495 [0,2,0,0,0,0|1,0,0]=3 12642 B13R0.398 CCCCCN(C)C(=O)NCCCC 273464a_100000102301_100000223495 [0,2,0,0,0,0|1,0,0]=3 12643 B13R0.398 CCCCCN(C)C(=O)NCCCF 2708a_100015189416_100000223495 [0,2,0,0,0,0|2,0,0]=4 12644 B13R0.398 CCCCCN(C)C(=O)NCCCF 273464a_100015189416_100000223495 [0,2,0,0,0,0|2,0,0]=4 12645 B13R0.398 CCCCCN(C)C(=O)NCCCO 273464a_100000182051_100000223495 [0,2,0,0,0,0|2,0,0]=4 12646 B13R0.398 CCCCCN(C)C(=O)NCCOC 273464a_100000209980_100000223495 [0,2,0,0,0,0|2,0,0]=4 12647 B13R0.398 CCCCCN(C)C(=O)NCCSC 2708a_100020590264_100000223495 [0,2,0,0,0,0|2,0,0]=4 12648 B13R0.398 CCCCCN(C)C(=O)NCCSC 273464a_100020590264_100000223495 [0,2,0,0,0,0|2,0,0]=4 12649 B13R0.398 CCCCNC(=O)C(C)NCCCC 2230a_100000102301_100000735917 [0,2,0,0,0,0|1,0,0]=3 12650 B13R0.398 CCCCNC(=O)C(C)NCCCC 7a_106832991798_100000735917 [0,2,0,0,0,0|1,0,0]=3 12651 B13R0.398 CCCCNC(=O)C(C)NCCCF 2230a_100015189416_100000735917 [0,2,0,0,0,0|2,0,0]=4 12652 B13R0.398 CCCCNC(=O)C(C)NCCCF 34a_100015189416_100000735917 [0,2,0,0,0,0|2,0,0]=4 12653 B13R0.398 CCCCNC(=O)C(C)NCCOC 2230a_100000209980_100000735917 [0,2,0,0,0,0|2,0,0]=4 12654 B13R0.398 CCCCNC(=O)C(C)NCCSC 2230a_100020590264_100000735917 [0,2,0,0,0,0|2,0,0]=4 12655 B13R0.398 CCCCNC(=O)C(C)OCCCBr 34a_100011217188_100000735917 [0,2,0,0,0,0|2,0,0]=4 12656 B13R0.398 CCCCNC(=O)C(C)OCCCC 34a_100000210227_100000735917 [0,2,0,0,0,0|1,0,0]=3 12657 B13R0.398 CCCCNC(=O)C(C)OCCCC 7a_100000210227_100000735917 [0,2,0,0,0,0|1,0,0]=3 12658 B13R0.398 CCCCNC(=O)C(C)OCCCCl 34a_100000230001_100000735917 [0,2,0,0,0,0|2,0,0]=4 12659 B13R0.398 CCCCNC(=O)C(C)OCCCF 34a_100000759539_100000735917 [0,2,0,0,0,0|2,0,0]=4 12660 B13R0.398 CCCCNC(=O)C(C)OCCCN 34a_100000182051_100000735917 [0,2,0,0,0,0|2,0,0]=4 12661 B13R0.398 CCCCNC(=O)C(C)OCCOC 34a_100000210237_100000735917 [0,2,0,0,0,0|2,0,0]=4 12662 B13R0.398 CCCCNC(=O)C(C)OCCSC 34a_100000230434_100000735917 [0,2,0,0,0,0|2,0,0]=4 12663 B13R0.398 CCCCNC(=O)C(C)OCCSC 7a_100000230434_100000735917 [0,2,0,0,0,0|2,0,0]=4 12664 B13R0.398 CCCCNC(=O)C(C)SCCCC 11a_100000102301_100000191163 [0,2,0,0,0,0|1,0,0]=3 12665 B13R0.398 CCCCNC(=O)C(C)SCCCC 1626a_100000102301_100000191163 [0,2,0,0,0,0|1,0,0]=3 12666 B13R0.398 CCCCNC(=O)C(C)SCCCC 240690a_100000102301_100000191163 [0,2,0,0,0,0|1,0,0]=3 12667 B13R0.398 CCCCNC(=O)C(C)SCCCC 527a_100000102301_100000191163 [0,2,0,0,0,0|1,0,0]=3 12668 B13R0.398 CCCCNC(=O)C(C)SCCCC 62a_100000210211_100000735917 [0,2,0,0,0,0|1,0,0]=3 12669 B13R0.398 CCCCNC(=O)C(C)SCCCC 62a_100000735917_100000210210 [0,2,0,0,0,0|1,0,0]=3 12670 B13R0.398 CCCCNC(=O)C(C)SCCCF 62a_100000735917_100011934791 [0,2,0,0,0,0|2,0,0]=4 12671 B13R0.398 CCCCNC(=O)C(C)SCCCF 62a_100011934791_100000735917 [0,2,0,0,0,0|2,0,0]=4 12672 B13R0.398 CCCCNC(=O)C(C)SCCCO 62a_100000735917_100011215043 [0,2,0,0,0,0|2,0,0]=4 12673 B13R0.398 CCCCNC(=O)C(C)SCCCO 62a_100011215043_100000735917 [0,2,0,0,0,0|2,0,0]=4 12674 B13R0.398 CCCCNC(=O)C(C)SCCOC 62a_100000233755_100000735917 [0,2,0,0,0,0|2,0,0]=4 12675 B13R0.398 CCCCNC(=O)C(C)SCCOC 62a_100000735917_100000233755 [0,2,0,0,0,0|2,0,0]=4 12676 B13R0.398 CCCCNC(=O)C(C)SCCSC 62a_100000212216_100000735917 [0,2,0,0,0,0|2,0,0]=4 12677 B13R0.398 CCCCNC(=O)C(C)SCCSC 62a_100000735917_100000751147 [0,2,0,0,0,0|2,0,0]=4 12678 B13R0.398 CCCCNC(=O)C(C)SCOCC 62a_100000735917_100000739092 [0,2,0,0,0,0|2,0,0]=4 12679 B13R0.398 CCCCNC(=O)C(C)SCOCC 62a_100000739092_100000735917 [0,2,0,0,0,0|2,0,0]=4 12680 B13R0.398 CCCCNC(=O)N(C)CCCCO 2708a_100000102301_100000717598 [0,2,0,0,0,0|2,0,0]=4 12681 B13R0.398 CCCCNC(=O)N(C)CCCCO 273464a_100000102301_100000717598 [0,2,0,0,0,0|2,0,0]=4 12682 B13R0.398 CCCCNC(=O)N(C)CCCOC 2708a_100000102301_100000224831 [0,2,0,0,0,0|2,0,0]=4 12683 B13R0.398 CCCCNC(=O)N(C)CCCOC 273464a_100000102301_100000224831 [0,2,0,0,0,0|2,0,0]=4 12684 B13R0.398 CCCCNC(C)C(=O)NCCOC 2230a_100000102301_100000230274 [0,2,0,0,0,0|2,0,0]=4 12685 B13R0.398 CCCCNC(C)C(=O)NCCOC 7a_106832991798_100000230274 [0,2,0,0,0,0|2,0,0]=4 12686 B13R0.398 CCCCNC(C)C(=O)OCCCC 2230a_100000102301_100000759602 [0,2,0,0,0,0|0,0,0]=2 12687 B13R0.398 CCCCNC(C)C(=O)OCCCC 7a_106832991798_100000759602 [0,2,0,0,0,0|0,0,0]=2 12688 B13R0.398 CCCCOC(=O)C(C)NCCCF 2230a_100015189416_100000759602 [0,2,0,0,0,0|1,0,0]=3 12689 B13R0.398 CCCCOC(=O)C(C)NCCCF 34a_100015189416_100000759602 [0,2,0,0,0,0|1,0,0]=3 12690 B13R0.398 CCCCOC(=O)C(C)NCCOC 2230a_100000209980_100000759602 [0,2,0,0,0,0|1,0,0]=3 12691 B13R0.398 CCCCOC(=O)C(C)NCCSC 2230a_100020590264_100000759602 [0,2,0,0,0,0|1,0,0]=3 12692 B13R0.398 CCCCOC(=O)C(C)OCCC#N 7a_100000038973_100000184422 [0,2,0,0,0,0|1,0,1]=4 12693 B13R0.398 CCCCOC(=O)C(C)OCCCBr 34a_100011217188_100000759602 [0,2,0,0,0,0|1,0,0]=3 12694 B13R0.398 CCCCOC(=O)C(C)OCCCC 34a_100000038973_100000210210 [0,2,0,0,0,0|0,0,0]=2 12695 B13R0.398 CCCCOC(=O)C(C)OCCCC 34a_100000210227_100000759602 [0,2,0,0,0,0|0,0,0]=2 12696 B13R0.398 CCCCOC(=O)C(C)OCCCC 7a_100000038973_100000210211 [0,2,0,0,0,0|0,0,0]=2 12697 B13R0.398 CCCCOC(=O)C(C)OCCCC 7a_100000210227_100000759602 [0,2,0,0,0,0|0,0,0]=2 12698 B13R0.398 CCCCOC(=O)C(C)OCCCCl 34a_100000230001_100000759602 [0,2,0,0,0,0|1,0,0]=3 12699 B13R0.398 CCCCOC(=O)C(C)OCCCF 34a_100000038973_100011934791 [0,2,0,0,0,0|1,0,0]=3 12700 B13R0.398 CCCCOC(=O)C(C)OCCCF 34a_100000759539_100000759602 [0,2,0,0,0,0|1,0,0]=3 12701 B13R0.398 CCCCOC(=O)C(C)OCCCF 7a_100000038973_100011934791 [0,2,0,0,0,0|1,0,0]=3 12702 B13R0.398 CCCCOC(=O)C(C)OCCCN 34a_100000182051_100000759602 [0,2,0,0,0,0|1,0,0]=3 12703 B13R0.398 CCCCOC(=O)C(C)OCCCO 34a_100000038973_100000230001 [0,2,0,0,0,0|1,0,0]=3 12704 B13R0.398 CCCCOC(=O)C(C)OCCCO 7a_100000038973_100011215043 [0,2,0,0,0,0|1,0,0]=3 12705 B13R0.398 CCCCOC(=O)C(C)OCCOC 34a_100000038973_100011201679 [0,2,0,0,0,0|1,0,0]=3 12706 B13R0.398 CCCCOC(=O)C(C)OCCOC 34a_100000210237_100000759602 [0,2,0,0,0,0|1,0,0]=3 12707 B13R0.398 CCCCOC(=O)C(C)OCCOC 7a_100000038973_100000233755 [0,2,0,0,0,0|1,0,0]=3 12708 B13R0.398 CCCCOC(=O)C(C)OCCON 34a_100000700252_100000759602 [0,2,0,0,0,0|2,0,0]=4 12709 B13R0.398 CCCCOC(=O)C(C)OCCSC 34a_100000038973_100000212216 [0,2,0,0,0,0|1,0,0]=3 12710 B13R0.398 CCCCOC(=O)C(C)OCCSC 34a_100000230434_100000759602 [0,2,0,0,0,0|1,0,0]=3 12711 B13R0.398 CCCCOC(=O)C(C)OCCSC 7a_100000038973_100000212216 [0,2,0,0,0,0|1,0,0]=3 12712 B13R0.398 CCCCOC(=O)C(C)OCCSC 7a_100000230434_100000759602 [0,2,0,0,0,0|1,0,0]=3 12713 B13R0.398 CCCCOC(=O)C(C)SCCC#N 62a_100000759602_100011215226 [0,2,0,0,0,0|1,0,1]=4 12714 B13R0.398 CCCCOC(=O)C(C)SCCC#N 62a_100011215226_100000759602 [0,2,0,0,0,0|1,0,1]=4 12715 B13R0.398 CCCCOC(=O)C(C)SCCCC 62a_100000210211_100000759602 [0,2,0,0,0,0|0,0,0]=2 12716 B13R0.398 CCCCOC(=O)C(C)SCCCC 62a_100000759602_100000210210 [0,2,0,0,0,0|0,0,0]=2 12717 B13R0.398 CCCCOC(=O)C(C)SCCCF 62a_100000759602_100011934791 [0,2,0,0,0,0|1,0,0]=3 12718 B13R0.398 CCCCOC(=O)C(C)SCCCF 62a_100011934791_100000759602 [0,2,0,0,0,0|1,0,0]=3 12719 B13R0.398 CCCCOC(=O)C(C)SCCCO 62a_100000759602_100011215043 [0,2,0,0,0,0|1,0,0]=3 12720 B13R0.398 CCCCOC(=O)C(C)SCCCO 62a_100011215043_100000759602 [0,2,0,0,0,0|1,0,0]=3 12721 B13R0.398 CCCCOC(=O)C(C)SCCOC 62a_100000233755_100000759602 [0,2,0,0,0,0|1,0,0]=3 12722 B13R0.398 CCCCOC(=O)C(C)SCCOC 62a_100000759602_100000233755 [0,2,0,0,0,0|1,0,0]=3 12723 B13R0.398 CCCCOC(=O)C(C)SCCSC 62a_100000212216_100000759602 [0,2,0,0,0,0|1,0,0]=3 12724 B13R0.398 CCCCOC(=O)C(C)SCCSC 62a_100000759602_100000751147 [0,2,0,0,0,0|1,0,0]=3 12725 B13R0.398 CCCCOC(=O)C(C)SCOCC 62a_100000739092_100000759602 [0,2,0,0,0,0|1,0,0]=3 12726 B13R0.398 CCCCOC(=O)C(C)SCOCC 62a_100000759602_100000739092 [0,2,0,0,0,0|1,0,0]=3 12727 B13R0.398 CCCCOC(C)C(=O)NCCOC 7a_100000210227_100000230274 [0,2,0,0,0,0|2,0,0]=4 12728 B13R0.398 CCCCSC(C)C(=O)CCCCF 1458a_100000191163_100000729493 [0,2,0,0,0,0|1,1,0]=4 12729 B13R0.398 CCCCSC(C)C(=O)CCCCO 1458a_100000191163_100000210776 [0,2,0,0,0,0|1,1,0]=4 12730 B13R0.398 CCCCSC(C)C(=O)CCCOC 1458a_100000191163_100000740836 [0,2,0,0,0,0|1,1,0]=4 12731 B13R0.398 CCCCSC(C)C(=O)CCOCC 1458a_100000191163_100011215890 [0,2,0,0,0,0|1,1,0]=4 12732 B13R0.398 CCCCSC(C)C(=O)CCSCC 1458a_100000191163_100000757381 [0,2,0,0,0,0|1,1,0]=4 12733 B13R0.398 CCCCSC(C)C(=O)NCCCF 11a_100015189416_100000191163 [0,2,0,0,0,0|2,0,0]=4 12734 B13R0.398 CCCCSC(C)C(=O)NCCCF 1626a_100015189416_100000191163 [0,2,0,0,0,0|2,0,0]=4 12735 B13R0.398 CCCCSC(C)C(=O)NCCCF 240690a_100015189416_100000191163 [0,2,0,0,0,0|2,0,0]=4 12736 B13R0.398 CCCCSC(C)C(=O)NCCCF 527a_100015189416_100000191163 [0,2,0,0,0,0|2,0,0]=4 12737 B13R0.398 CCCCSC(C)C(=O)NCCCO 240690a_100000182051_100000191163 [0,2,0,0,0,0|2,0,0]=4 12738 B13R0.398 CCCCSC(C)C(=O)NCCCO 527a_100000182051_100000191163 [0,2,0,0,0,0|2,0,0]=4 12739 B13R0.398 CCCCSC(C)C(=O)NCCOC 1626a_100000209980_100000191163 [0,2,0,0,0,0|2,0,0]=4 12740 B13R0.398 CCCCSC(C)C(=O)NCCOC 240690a_100000209980_100000191163 [0,2,0,0,0,0|2,0,0]=4 12741 B13R0.398 CCCCSC(C)C(=O)NCCOC 527a_100000209980_100000191163 [0,2,0,0,0,0|2,0,0]=4 12742 B13R0.398 CCCCSC(C)C(=O)NCCOC 62a_100000210211_100000230274 [0,2,0,0,0,0|2,0,0]=4 12743 B13R0.398 CCCCSC(C)C(=O)NCCOC 62a_100000230274_100000210210 [0,2,0,0,0,0|2,0,0]=4 12744 B13R0.398 CCCCSC(C)C(=O)NCCSC 11a_100020590264_100000191163 [0,2,0,0,0,0|2,0,0]=4 12745 B13R0.398 CCCCSC(C)C(=O)NCCSC 1626a_100020590264_100000191163 [0,2,0,0,0,0|2,0,0]=4 12746 B13R0.398 CCCCSC(C)C(=O)NCCSC 240690a_100020590264_100000191163 [0,2,0,0,0,0|2,0,0]=4 12747 B13R0.398 CCCCSC(C)C(=O)NCCSC 527a_100020590264_100000191163 [0,2,0,0,0,0|2,0,0]=4 12748 B13R0.398 CCCCSC(C)C(=O)NNCCC 22a_100000740057_100000191163 [0,2,0,0,0,0|2,0,0]=4 12749 B13R0.398 CCCOCC(=O)N(C)CCCCO 240690a_100000717598_100000745993 [0,2,0,0,0,0|2,0,0]=4 12750 B13R0.398 CCCOCC(=O)N(C)CCCOC 11a_100000224831_100000745993 [0,2,0,0,0,0|2,0,0]=4 12751 B13R0.398 CCCOCC(=O)N(C)CCCOC 1626a_100000224831_100000745993 [0,2,0,0,0,0|2,0,0]=4 12752 B13R0.398 CCCOCC(=O)N(C)CCCOC 240690a_100000224831_100000745993 [0,2,0,0,0,0|2,0,0]=4 12753 B13R0.398 CCCOCC(=O)N(C)CCCOC 527a_100000224831_100000745993 [0,2,0,0,0,0|2,0,0]=4 12754 B13R0.398 CCCSCC(=O)N(C)CCCCO 240690a_100000717598_100000217233 [0,2,0,0,0,0|2,0,0]=4 12755 B13R0.398 CCCSCC(=O)N(C)CCCOC 11a_100000224831_100000217233 [0,2,0,0,0,0|2,0,0]=4 12756 B13R0.398 CCCSCC(=O)N(C)CCCOC 1626a_100000224831_100000217233 [0,2,0,0,0,0|2,0,0]=4 12757 B13R0.398 CCCSCC(=O)N(C)CCCOC 240690a_100000224831_100000217233 [0,2,0,0,0,0|2,0,0]=4 12758 B13R0.398 CCCSCC(=O)N(C)CCCOC 527a_100000224831_100000217233 [0,2,0,0,0,0|2,0,0]=4 12759 B13R0.398 CCOCCC(=O)N(C)CCCCO 240690a_100000717598_100000749530 [0,2,0,0,0,0|2,0,0]=4 12760 B13R0.398 CCOCCC(=O)N(C)CCCOC 11a_100000224831_100000749530 [0,2,0,0,0,0|2,0,0]=4 12761 B13R0.398 CCOCCC(=O)N(C)CCCOC 1626a_100000224831_100000749530 [0,2,0,0,0,0|2,0,0]=4 12762 B13R0.398 CCOCCC(=O)N(C)CCCOC 240690a_100000224831_100000749530 [0,2,0,0,0,0|2,0,0]=4 12763 B13R0.398 CCOCCC(=O)N(C)CCCOC 527a_100000224831_100000749530 [0,2,0,0,0,0|2,0,0]=4 12764 B13R0.398 CCSCCC(=O)N(C)CCCCO 240690a_100000717598_100000230768 [0,2,0,0,0,0|2,0,0]=4 12765 B13R0.398 CCSCCC(=O)N(C)CCCOC 11a_100000224831_100000230768 [0,2,0,0,0,0|2,0,0]=4 12766 B13R0.398 CCSCCC(=O)N(C)CCCOC 1626a_100000224831_100000230768 [0,2,0,0,0,0|2,0,0]=4 12767 B13R0.398 CCSCCC(=O)N(C)CCCOC 240690a_100000224831_100000230768 [0,2,0,0,0,0|2,0,0]=4 12768 B13R0.398 CCSCCC(=O)N(C)CCCOC 527a_100000224831_100000230768 [0,2,0,0,0,0|2,0,0]=4 12769 B13R0.398 COCCCC(=O)N(C)CCCCO 240690a_100000717598_100000741012 [0,2,0,0,0,0|2,0,0]=4 12770 B13R0.398 COCCCC(=O)N(C)CCCOC 11a_100000224831_100000741012 [0,2,0,0,0,0|2,0,0]=4 12771 B13R0.398 COCCCC(=O)N(C)CCCOC 1626a_100000224831_100000741012 [0,2,0,0,0,0|2,0,0]=4 12772 B13R0.398 COCCCC(=O)N(C)CCCOC 240690a_100000224831_100000741012 [0,2,0,0,0,0|2,0,0]=4 12773 B13R0.398 COCCCC(=O)N(C)CCCOC 527a_100000224831_100000741012 [0,2,0,0,0,0|2,0,0]=4 12774 B13R0.398 COCCCN(C)C(=O)CCCCO 1626a_100000224831_100000695505 [0,2,0,0,0,0|2,0,0]=4 12775 B13R0.398 COCCCN(C)C(=O)CCCSC 11a_100000224831_100000173376 [0,2,0,0,0,0|2,0,0]=4 12776 B13R0.398 COCCCN(C)C(=O)CCCSC 1626a_100000224831_100000173376 [0,2,0,0,0,0|2,0,0]=4 12777 B13R0.398 COCCCN(C)C(=O)CCCSC 240690a_100000224831_100000173376 [0,2,0,0,0,0|2,0,0]=4 12778 B13R0.398 COCCCN(C)C(=O)CCCSC 527a_100000224831_100000173376 [0,2,0,0,0,0|2,0,0]=4 12779 B13R0.398 CSCCCC(=O)N(C)CCCCO 240690a_100000717598_100000173376 [0,2,0,0,0,0|2,0,0]=4 12780 B13R0.1129 CCCCCCC(C)(C)OCCCC 7a_200011995690_100000210211 [0,2,0,0,0,0|1,0,1]=4 12781 B13R0.1129 CCCCCCS(=O)(=O)NCCCC 270084a_100000102301_100011361803 [0,2,0,0,0,0|2,0,0]=4 12782 B13R0.1129 CCCCCCS(=O)(=O)NCCCC 274078a_100000102301_100011361803 [0,2,0,0,0,0|2,0,0]=4 12783 B13R0.1129 CCCCCNS(=O)(=O)CCCCC 270084a_100000209983_100000753860 [0,2,0,0,0,0|2,0,0]=4 12784 B13R0.1129 CCCCCNS(=O)(=O)CCCCC 274078a_100000209983_100000753860 [0,2,0,0,0,0|2,0,0]=4 12785 B13R0.1129 CCCCCS(=O)(=O)NCCCCO 270084a_100000750430_100000753860 [0,2,0,0,0,0|2,0,0]=4 12786 B13R0.1129 CCCCCS(=O)(=O)NCCCCO 274078a_100000750430_100000753860 [0,2,0,0,0,0|2,0,0]=4 12787 B13R0.1129 CCCCCS(=O)(=O)NCCCOC 270084a_100150723488_100000753860 [0,2,0,0,0,0|2,0,0]=4 12788 B13R0.1129 CCCCCS(=O)(=O)NCCCOC 274078a_100150723488_100000753860 [0,2,0,0,0,0|2,0,0]=4 12789 B13R0.1129 CCCCCS(=O)(=O)NCCCSC 270084a_100000749238_100000753860 [0,2,0,0,0,0|2,0,0]=4 12790 B13R0.1129 CCCCCS(=O)(=O)NCCCSC 274078a_100000749238_100000753860 [0,2,0,0,0,0|2,0,0]=4 12791 B13R0.1129 CCCCCS(=O)(=O)NCCOCC 270084a_102516460346_100000753860 [0,2,0,0,0,0|2,0,0]=4 12792 B13R0.1129 CCCCCS(=O)(=O)NCCOCC 274078a_102516460346_100000753860 [0,2,0,0,0,0|2,0,0]=4 12793 B13R0.1129 CCCCCS(=O)(=O)NCCSCC 270084a_100000106463_100000753860 [0,2,0,0,0,0|2,0,0]=4 12794 B13R0.1129 CCCCCS(=O)(=O)NCCSCC 274078a_100000106463_100000753860 [0,2,0,0,0,0|2,0,0]=4 12795 B13R0.1129 CCCCOC(C)(C)CCCCCBr 7a_100010402123_100000210211 [0,2,0,0,0,0|1,0,1]=4 12796 B13R0.1170 C#CCCCCC(=O)CCC(C)CC 1458a_100000701222_100010269958 [0,2,0,0,0,0|1,0,1]=4 12797 B13R0.1170 C#CCCCCC(=O)NCC(C)CC 11a_100020588543_100000696528 [0,2,0,0,0,0|1,0,1]=4 12798 B13R0.1170 C#CCCCCC(=O)NCC(C)CC 1626a_100020588543_100000696528 [0,2,0,0,0,0|1,0,1]=4 12799 B13R0.1170 C#CCCCCC(=O)NCC(C)CC 240690a_100020588543_100000696528 [0,2,0,0,0,0|1,0,1]=4 12800 B13R0.1170 C#CCCCCC(=O)NCC(C)CC 527a_100020588543_100000696528 [0,2,0,0,0,0|1,0,1]=4 12801 B13R0.1170 C#CCCCCC(=O)NCC(O)CC 11a_100011218483_100000696528 [0,2,0,0,0,0|1,0,1]=4 12802 B13R0.1170 C#CCCCCC(=O)NCC(O)CC 240690a_100011218483_100000696528 [0,2,0,0,0,0|1,0,1]=4 12803 B13R0.1170 C#CCCCCC(=O)NCC(O)CC 527a_100011218483_100000696528 [0,2,0,0,0,0|1,0,1]=4 12804 B13R0.1170 C#CCCCNC(=O)CCC(C)CC 11a_100000718082_100000701222 [0,2,0,0,0,0|1,0,1]=4 12805 B13R0.1170 C#CCCCNC(=O)CCC(C)CC 1626a_100000718082_100000701222 [0,2,0,0,0,0|1,0,1]=4 12806 B13R0.1170 C#CCCCNC(=O)CCC(C)CC 240690a_100000718082_100000701222 [0,2,0,0,0,0|1,0,1]=4 12807 B13R0.1170 C#CCCCNC(=O)CCC(C)CC 527a_100000718082_100000701222 [0,2,0,0,0,0|1,0,1]=4 12808 B13R0.1170 C#CCCCNC(=O)CCC(O)CC 1626a_100000718082_203496584001 [0,2,0,0,0,0|1,0,1]=4 12809 B13R0.1170 C#CCCCNC(=O)CCC(O)CC 240690a_100000718082_203496584001 [0,2,0,0,0,0|1,0,1]=4 12810 B13R0.1170 C=CCCCCC(=O)CCC(C)CC 1458a_100000701222_100011215482 [0,2,0,0,0,0|1,0,1]=4 12811 B13R0.1170 C=CCCCCC(=O)NCC(C)CC 11a_100020588543_100011215552 [0,2,0,0,0,0|1,0,1]=4 12812 B13R0.1170 C=CCCCCC(=O)NCC(C)CC 1626a_100020588543_100011215552 [0,2,0,0,0,0|1,0,1]=4 12813 B13R0.1170 C=CCCCCC(=O)NCC(C)CC 240690a_100020588543_100011215552 [0,2,0,0,0,0|1,0,1]=4 12814 B13R0.1170 C=CCCCCC(=O)NCC(C)CC 527a_100020588543_100011215552 [0,2,0,0,0,0|1,0,1]=4 12815 B13R0.1170 C=CCCCCC(=O)NCC(O)CC 11a_100011218483_100011215552 [0,2,0,0,0,0|1,0,1]=4 12816 B13R0.1170 C=CCCCCC(=O)NCC(O)CC 240690a_100011218483_100011215552 [0,2,0,0,0,0|1,0,1]=4 12817 B13R0.1170 C=CCCCCC(=O)NCC(O)CC 527a_100011218483_100011215552 [0,2,0,0,0,0|1,0,1]=4 12818 B13R0.1170 C=CCCCNC(=O)CCC(C)CC 11a_100000700776_100000701222 [0,2,0,0,0,0|1,0,1]=4 12819 B13R0.1170 C=CCCCNC(=O)CCC(C)CC 1626a_100000700776_100000701222 [0,2,0,0,0,0|1,0,1]=4 12820 B13R0.1170 C=CCCCNC(=O)CCC(C)CC 240690a_100000700776_100000701222 [0,2,0,0,0,0|1,0,1]=4 12821 B13R0.1170 C=CCCCNC(=O)CCC(C)CC 527a_100000700776_100000701222 [0,2,0,0,0,0|1,0,1]=4 12822 B13R0.1170 C=CCCCNC(=O)CCC(O)CC 1626a_100000700776_203496584001 [0,2,0,0,0,0|1,0,1]=4 12823 B13R0.1170 C=CCCCNC(=O)CCC(O)CC 240690a_100000700776_203496584001 [0,2,0,0,0,0|1,0,1]=4 12824 B13R0.1170 CC(CO)CNC(=O)CCCCCO 240690a_100000744482_100102619762 [0,2,0,0,0,0|2,0,0]=4 12825 B13R0.1170 CC/C=C\CCC(=O)CCC(C)CC 1458a_100000701222_100015370543 [0,2,0,0,0,0|1,0,1]=4 12826 B13R0.1170 CCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000210202 [0,2,0,0,0,0|0,0,1]=3 12827 B13R0.1170 CCC(C)CCC(=O)CCCCC#N 1458a_100000701222_100000211819 [0,2,0,0,0,0|1,0,1]=4 12828 B13R0.1170 CCC(C)CCC(=O)CCCCCF 1458a_100000701222_100000729378 [0,2,0,0,0,0|1,0,0]=3 12829 B13R0.1170 CCC(C)CCC(=O)CCCCCO 1458a_100000701222_100000746330 [0,2,0,0,0,0|1,0,0]=3 12830 B13R0.1170 CCC(C)CCC(=O)CCCCOC 1458a_100000701222_100000755781 [0,2,0,0,0,0|1,0,0]=3 12831 B13R0.1170 CCC(C)CCC(=O)CCOCCO 1458a_100000701222_100011215305 [0,2,0,0,0,0|2,0,0]=4 12832 B13R0.1170 CCC(C)CCC(=O)NCCCCO 240690a_100000750430_100000701222 [0,2,0,0,0,0|1,0,0]=3 12833 B13R0.1170 CCC(C)CCC(=O)NCCCCO 527a_100000750430_100000701222 [0,2,0,0,0,0|1,0,0]=3 12834 B13R0.1170 CCC(C)CCC(=O)NCCCOC 1626a_100150723488_100000701222 [0,2,0,0,0,0|1,0,0]=3 12835 B13R0.1170 CCC(C)CCC(=O)NCCCOC 240690a_100150723488_100000701222 [0,2,0,0,0,0|1,0,0]=3 12836 B13R0.1170 CCC(C)CCC(=O)NCCCOC 527a_100150723488_100000701222 [0,2,0,0,0,0|1,0,0]=3 12837 B13R0.1170 CCC(C)CCC(=O)NCCCSC 11a_100000749238_100000701222 [0,2,0,0,0,0|1,0,0]=3 12838 B13R0.1170 CCC(C)CCC(=O)NCCCSC 1626a_100000749238_100000701222 [0,2,0,0,0,0|1,0,0]=3 12839 B13R0.1170 CCC(C)CCC(=O)NCCCSC 240690a_100000749238_100000701222 [0,2,0,0,0,0|1,0,0]=3 12840 B13R0.1170 CCC(C)CCC(=O)NCCCSC 527a_100000749238_100000701222 [0,2,0,0,0,0|1,0,0]=3 12841 B13R0.1170 CCC(C)CCC(=O)NNCCOC 22a_100000741390_100000701222 [0,2,0,0,0,0|2,0,0]=4 12842 B13R0.1170 CCC(C)CCC(C)OCCCCF 7a_200011216552_100000729493 [0,2,0,0,0,0|1,0,1]=4 12843 B13R0.1170 CCC(C)CCC(C)OCCCCO 7a_200011216552_100000210776 [0,2,0,0,0,0|1,0,1]=4 12844 B13R0.1170 CCC(C)CCC(C)OCCCOC 7a_200011216552_100000740836 [0,2,0,0,0,0|1,0,1]=4 12845 B13R0.1170 CCC(C)CNC(=O)CCCCCO 240690a_100020588543_100102619762 [0,2,0,0,0,0|1,0,0]=3 12846 B13R0.1170 CCC(C)CNC(=O)CCOCCO 1626a_100020588543_100011229844 [0,2,0,0,0,0|2,0,0]=4 12847 B13R0.1170 CCC(C)CNC(=O)CCOCCO 240690a_100020588543_100011229844 [0,2,0,0,0,0|2,0,0]=4 12848 B13R0.1170 CCC(C)CNC(=O)COCCOC 11a_100020588543_100000211095 [0,2,0,0,0,0|2,0,0]=4 12849 B13R0.1170 CCC(C)CNC(=O)COCCOC 1626a_100020588543_100000211095 [0,2,0,0,0,0|2,0,0]=4 12850 B13R0.1170 CCC(C)CNC(=O)COCCOC 240690a_100020588543_100000211095 [0,2,0,0,0,0|2,0,0]=4 12851 B13R0.1170 CCC(C)CNC(=O)COCCOC 527a_100020588543_100000211095 [0,2,0,0,0,0|2,0,0]=4 12852 B13R0.1170 CCC(C)CNC(=O)NCCCCO 2708a_100000750430_100020588543 [0,2,0,0,0,0|2,0,0]=4 12853 B13R0.1170 CCC(C)CNC(=O)NCCCCO 2708a_100020588543_100000750430 [0,2,0,0,0,0|2,0,0]=4 12854 B13R0.1170 CCC(C)CNC(=O)NCCCCO 273464a_100000750430_100020588543 [0,2,0,0,0,0|2,0,0]=4 12855 B13R0.1170 CCC(C)CNC(=O)NCCCCO 273464a_100020588543_100000750430 [0,2,0,0,0,0|2,0,0]=4 12856 B13R0.1170 CCC(C)CNC(=O)NCCCCO 512a_100000750430_100020588543 [0,2,0,0,0,0|2,0,0]=4 12857 B13R0.1170 CCC(C)CNC(=O)NCCCCO 512a_100020588543_100000750430 [0,2,0,0,0,0|2,0,0]=4 12858 B13R0.1170 CCC(C)CNC(=O)NCCCOC 2708a_100020588543_100150723488 [0,2,0,0,0,0|2,0,0]=4 12859 B13R0.1170 CCC(C)CNC(=O)NCCCOC 2708a_100150723488_100020588543 [0,2,0,0,0,0|2,0,0]=4 12860 B13R0.1170 CCC(C)CNC(=O)NCCCOC 273464a_100020588543_100150723488 [0,2,0,0,0,0|2,0,0]=4 12861 B13R0.1170 CCC(C)CNC(=O)NCCCOC 273464a_100150723488_100020588543 [0,2,0,0,0,0|2,0,0]=4 12862 B13R0.1170 CCC(C)CNC(=O)NCCCOC 512a_100020588543_100150723488 [0,2,0,0,0,0|2,0,0]=4 12863 B13R0.1170 CCC(C)CNC(=O)NCCCSC 2708a_100000749238_100020588543 [0,2,0,0,0,0|2,0,0]=4 12864 B13R0.1170 CCC(C)CNC(=O)NCCCSC 2708a_100020588543_100000749238 [0,2,0,0,0,0|2,0,0]=4 12865 B13R0.1170 CCC(C)CNC(=O)NCCCSC 273464a_100000749238_100020588543 [0,2,0,0,0,0|2,0,0]=4 12866 B13R0.1170 CCC(C)CNC(=O)NCCCSC 273464a_100020588543_100000749238 [0,2,0,0,0,0|2,0,0]=4 12867 B13R0.1170 CCC(C)CNC(=O)NCCCSC 512a_100000749238_100020588543 [0,2,0,0,0,0|2,0,0]=4 12868 B13R0.1170 CCC(C)CNC(=O)NCCCSC 512a_100020588543_100000749238 [0,2,0,0,0,0|2,0,0]=4 12869 B13R0.1170 CCC(C)NCC(=O)NCCCOC 2230a_100000209981_100000183178 [0,2,0,0,0,0|2,0,0]=4 12870 B13R0.1170 CCC(C)NNC(=O)CCCCCO 22a_100000718999_100102619762 [0,2,0,0,0,0|2,0,0]=4 12871 B13R0.1170 CCC(C)OCC(=O)NCCCOC 7a_100000210228_100000183178 [0,2,0,0,0,0|2,0,0]=4 12872 B13R0.1170 CCC(C)SCC(=O)NCCCOC 62a_100000183178_100000758301 [0,2,0,0,0,0|2,0,0]=4 12873 B13R0.1170 CCC(O)CCC(=O)NCCCCO 240690a_100000750430_203496584001 [0,2,0,0,0,0|1,0,0]=3 12874 B13R0.1170 CCC(O)CCC(=O)NCCCOC 1626a_100150723488_203496584001 [0,2,0,0,0,0|1,0,0]=3 12875 B13R0.1170 CCC(O)CCC(=O)NCCCOC 240690a_100150723488_203496584001 [0,2,0,0,0,0|1,0,0]=3 12876 B13R0.1170 CCC(O)CCC(=O)NCCCSC 1626a_100000749238_203496584001 [0,2,0,0,0,0|1,0,0]=3 12877 B13R0.1170 CCC(O)CCC(=O)NCCCSC 240690a_100000749238_203496584001 [0,2,0,0,0,0|1,0,0]=3 12878 B13R0.1170 CCC(O)CCC(=O)NNCCOC 22a_100000741390_203496584001 [0,2,0,0,0,0|2,0,0]=4 12879 B13R0.1170 CCC(O)CNC(=O)CCCCCO 240690a_100011218483_100102619762 [0,2,0,0,0,0|1,0,0]=3 12880 B13R0.1170 CCC(O)CNC(=O)CCOCCO 240690a_100011218483_100011229844 [0,2,0,0,0,0|2,0,0]=4 12881 B13R0.1170 CCC(O)CNC(=O)COCCOC 11a_100011218483_100000211095 [0,2,0,0,0,0|2,0,0]=4 12882 B13R0.1170 CCC(O)CNC(=O)COCCOC 240690a_100011218483_100000211095 [0,2,0,0,0,0|2,0,0]=4 12883 B13R0.1170 CCC(O)CNC(=O)COCCOC 527a_100011218483_100000211095 [0,2,0,0,0,0|2,0,0]=4 12884 B13R0.1170 CCC(O)CNC(=O)NCCCCO 2708a_100000750430_100011218483 [0,2,0,0,0,0|2,0,0]=4 12885 B13R0.1170 CCC(O)CNC(=O)NCCCCO 273464a_100000750430_100011218483 [0,2,0,0,0,0|2,0,0]=4 12886 B13R0.1170 CCC(O)CNC(=O)NCCCCO 273464a_100011218483_100000750430 [0,2,0,0,0,0|2,0,0]=4 12887 B13R0.1170 CCC(O)CNC(=O)NCCCCO 512a_100011218483_100000750430 [0,2,0,0,0,0|2,0,0]=4 12888 B13R0.1170 CCC(O)CNC(=O)NCCCOC 2708a_100150723488_100011218483 [0,2,0,0,0,0|2,0,0]=4 12889 B13R0.1170 CCC(O)CNC(=O)NCCCOC 273464a_100011218483_100150723488 [0,2,0,0,0,0|2,0,0]=4 12890 B13R0.1170 CCC(O)CNC(=O)NCCCOC 273464a_100150723488_100011218483 [0,2,0,0,0,0|2,0,0]=4 12891 B13R0.1170 CCC(O)CNC(=O)NCCCOC 512a_100011218483_100150723488 [0,2,0,0,0,0|2,0,0]=4 12892 B13R0.1170 CCC(O)CNC(=O)NCCCSC 2708a_100000749238_100011218483 [0,2,0,0,0,0|2,0,0]=4 12893 B13R0.1170 CCC(O)CNC(=O)NCCCSC 273464a_100000749238_100011218483 [0,2,0,0,0,0|2,0,0]=4 12894 B13R0.1170 CCC(O)CNC(=O)NCCCSC 273464a_100011218483_100000749238 [0,2,0,0,0,0|2,0,0]=4 12895 B13R0.1170 CCC(O)CNC(=O)NCCCSC 512a_100011218483_100000749238 [0,2,0,0,0,0|2,0,0]=4 12896 B13R0.1170 CCC/C=C/CC(=O)NCC(C)CC 11a_100020588543_200016266809 [0,2,0,0,0,0|1,0,1]=4 12897 B13R0.1170 CCC/C=C/CC(=O)NCC(C)CC 1626a_100020588543_200016266809 [0,2,0,0,0,0|1,0,1]=4 12898 B13R0.1170 CCC/C=C/CC(=O)NCC(C)CC 240690a_100020588543_200016266809 [0,2,0,0,0,0|1,0,1]=4 12899 B13R0.1170 CCC/C=C/CC(=O)NCC(C)CC 527a_100020588543_200016266809 [0,2,0,0,0,0|1,0,1]=4 12900 B13R0.1170 CCC/C=C/CC(=O)NCC(O)CC 11a_100011218483_200016266809 [0,2,0,0,0,0|1,0,1]=4 12901 B13R0.1170 CCC/C=C/CC(=O)NCC(O)CC 240690a_100011218483_200016266809 [0,2,0,0,0,0|1,0,1]=4 12902 B13R0.1170 CCC/C=C/CC(=O)NCC(O)CC 527a_100011218483_200016266809 [0,2,0,0,0,0|1,0,1]=4 12903 B13R0.1170 CCCCC=CC(=O)NCC(C)CC 11a_100020588543_100016266645 [0,2,0,0,0,0|1,0,1]=4 12904 B13R0.1170 CCCCC=CC(=O)NCC(C)CC 1626a_100020588543_100016266645 [0,2,0,0,0,0|1,0,1]=4 12905 B13R0.1170 CCCCC=CC(=O)NCC(C)CC 240690a_100020588543_100016266645 [0,2,0,0,0,0|1,0,1]=4 12906 B13R0.1170 CCCCC=CC(=O)NCC(O)CC 11a_100011218483_100016266645 [0,2,0,0,0,0|1,0,1]=4 12907 B13R0.1170 CCCCC=CC(=O)NCC(O)CC 240690a_100011218483_100016266645 [0,2,0,0,0,0|1,0,1]=4 12908 B13R0.1170 CCCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210757 [0,2,0,0,0,0|1,0,0]=3 12909 B13R0.1170 CCCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210757 [0,2,0,0,0,0|2,0,0]=4 12910 B13R0.1170 CCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210757 [0,2,0,0,0,0|2,0,0]=4 12911 B13R0.1170 CCCCCCC(=O)NCC(C)CC 11a_100020588543_100102632555 [0,2,0,0,0,0|1,0,0]=3 12912 B13R0.1170 CCCCCCC(=O)NCC(C)CC 1626a_100020588543_100102632555 [0,2,0,0,0,0|1,0,0]=3 12913 B13R0.1170 CCCCCCC(=O)NCC(C)CC 240690a_100020588543_100102632555 [0,2,0,0,0,0|1,0,0]=3 12914 B13R0.1170 CCCCCCC(=O)NCC(C)CC 527a_100020588543_100102632555 [0,2,0,0,0,0|1,0,0]=3 12915 B13R0.1170 CCCCCCC(=O)NCC(C)CO 240690a_100000744482_100102632555 [0,2,0,0,0,0|2,0,0]=4 12916 B13R0.1170 CCCCCCC(=O)NCC(C)CO 527a_100000744482_100102632555 [0,2,0,0,0,0|2,0,0]=4 12917 B13R0.1170 CCCCCCC(=O)NCC(O)CC 11a_100011218483_100102632555 [0,2,0,0,0,0|1,0,0]=3 12918 B13R0.1170 CCCCCCC(=O)NCC(O)CC 240690a_100011218483_100102632555 [0,2,0,0,0,0|1,0,0]=3 12919 B13R0.1170 CCCCCCC(=O)NCC(O)CC 527a_100011218483_100102632555 [0,2,0,0,0,0|1,0,0]=3 12920 B13R0.1170 CCCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100102632555 [0,2,0,0,0,0|2,0,0]=4 12921 B13R0.1170 CCCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100102632555 [0,2,0,0,0,0|2,0,0]=4 12922 B13R0.1170 CCCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100102632555 [0,2,0,0,0,0|2,0,0]=4 12923 B13R0.1170 CCCCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100102632555 [0,2,0,0,0,0|2,0,0]=4 12924 B13R0.1170 CCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100102632555 [0,2,0,0,0,0|2,0,0]=4 12925 B13R0.1170 CCCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100102632555 [0,2,0,0,0,0|2,0,0]=4 12926 B13R0.1170 CCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100102632555 [0,2,0,0,0,0|2,0,0]=4 12927 B13R0.1170 CCCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100102632555 [0,2,0,0,0,0|2,0,0]=4 12928 B13R0.1170 CCCCCCC(=O)NNC(C)CC 22a_100000718999_100102632555 [0,2,0,0,0,0|2,0,0]=4 12929 B13R0.1170 CCCCCCC(C)OCC(C)CC 34a_100000210265_100000748023 [0,2,0,0,0,0|1,0,1]=4 12930 B13R0.1170 CCCCCCC(C)OCC(C)CC 7a_100000210265_100000748023 [0,2,0,0,0,0|1,0,1]=4 12931 B13R0.1170 CCCCCCC(C)OCC(O)CC 34a_100000210265_100011218378 [0,2,0,0,0,0|1,0,1]=4 12932 B13R0.1170 CCCCCCC(C)OCC(O)CC 7a_100000210265_100011218378 [0,2,0,0,0,0|1,0,1]=4 12933 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CC 34a_100000210265_100009816398 [0,2,0,0,0,0|1,0,1]=4 12934 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CC 7a_100000210265_100009816398 [0,2,0,0,0,0|1,0,1]=4 12935 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CC 7a_100009816381_100011215978 [0,2,0,0,0,0|1,0,1]=4 12936 B13R0.1170 CCCCCNC(=O)CCC(C)CC 11a_100000209983_100000701222 [0,2,0,0,0,0|1,0,0]=3 12937 B13R0.1170 CCCCCNC(=O)CCC(C)CC 1626a_100000209983_100000701222 [0,2,0,0,0,0|1,0,0]=3 12938 B13R0.1170 CCCCCNC(=O)CCC(C)CC 240690a_100000209983_100000701222 [0,2,0,0,0,0|1,0,0]=3 12939 B13R0.1170 CCCCCNC(=O)CCC(C)CC 527a_100000209983_100000701222 [0,2,0,0,0,0|1,0,0]=3 12940 B13R0.1170 CCCCCNC(=O)CCC(O)CC 1626a_100000209983_203496584001 [0,2,0,0,0,0|1,0,0]=3 12941 B13R0.1170 CCCCCNC(=O)CCC(O)CC 240690a_100000209983_203496584001 [0,2,0,0,0,0|1,0,0]=3 12942 B13R0.1170 CCCCCNC(=O)CCN(C)CC 240690a_100000209983_100000755305 [0,2,0,0,0,0|2,0,0]=4 12943 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 11a_100000209983_100011387550 [0,2,0,0,0,0|2,0,0]=4 12944 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 1626a_100000209983_100011387550 [0,2,0,0,0,0|2,0,0]=4 12945 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 240690a_100000209983_100011387550 [0,2,0,0,0,0|2,0,0]=4 12946 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 527a_100000209983_100011387550 [0,2,0,0,0,0|2,0,0]=4 12947 B13R0.1170 CCCCCNC(=O)CNC(C)CC 2230a_100000209981_100000230301 [0,2,0,0,0,0|2,0,0]=4 12948 B13R0.1170 CCCCCNC(=O)COC(C)CC 7a_100000210228_100000230301 [0,2,0,0,0,0|2,0,0]=4 12949 B13R0.1170 CCCCCNC(=O)CSC(C)CC 62a_100000230301_100000758301 [0,2,0,0,0,0|2,0,0]=4 12950 B13R0.1170 CCCCCNC(=O)CSC(C)CC 62a_100000758301_100000230301 [0,2,0,0,0,0|2,0,0]=4 12951 B13R0.1170 CCCCCNC(=O)NCC(C)CC 2708a_100000209983_100020588543 [0,2,0,0,0,0|1,0,0]=3 12952 B13R0.1170 CCCCCNC(=O)NCC(C)CC 2708a_100020588543_100000209983 [0,2,0,0,0,0|1,0,0]=3 12953 B13R0.1170 CCCCCNC(=O)NCC(C)CC 273464a_100000209983_100020588543 [0,2,0,0,0,0|1,0,0]=3 12954 B13R0.1170 CCCCCNC(=O)NCC(C)CC 273464a_100020588543_100000209983 [0,2,0,0,0,0|1,0,0]=3 12955 B13R0.1170 CCCCCNC(=O)NCC(C)CC 512a_100000209983_100020588543 [0,2,0,0,0,0|1,0,0]=3 12956 B13R0.1170 CCCCCNC(=O)NCC(C)CC 512a_100020588543_100000209983 [0,2,0,0,0,0|1,0,0]=3 12957 B13R0.1170 CCCCCNC(=O)NCC(C)CO 2708a_100000209983_100000744482 [0,2,0,0,0,0|2,0,0]=4 12958 B13R0.1170 CCCCCNC(=O)NCC(C)CO 273464a_100000209983_100000744482 [0,2,0,0,0,0|2,0,0]=4 12959 B13R0.1170 CCCCCNC(=O)NCC(C)CO 273464a_100000744482_100000209983 [0,2,0,0,0,0|2,0,0]=4 12960 B13R0.1170 CCCCCNC(=O)NCC(C)CO 512a_100000209983_100000744482 [0,2,0,0,0,0|2,0,0]=4 12961 B13R0.1170 CCCCCNC(=O)NCC(C)CO 512a_100000744482_100000209983 [0,2,0,0,0,0|2,0,0]=4 12962 B13R0.1170 CCCCCNC(=O)NCC(O)CC 2708a_100000209983_100011218483 [0,2,0,0,0,0|1,0,0]=3 12963 B13R0.1170 CCCCCNC(=O)NCC(O)CC 273464a_100000209983_100011218483 [0,2,0,0,0,0|1,0,0]=3 12964 B13R0.1170 CCCCCNC(=O)NCC(O)CC 273464a_100011218483_100000209983 [0,2,0,0,0,0|1,0,0]=3 12965 B13R0.1170 CCCCCNC(=O)NCC(O)CC 512a_100011218483_100000209983 [0,2,0,0,0,0|1,0,0]=3 12966 B13R0.1170 CCCCCNC(=O)NC[C@@H](C)OC 2708a_100000209983_100020591295 [0,2,0,0,0,0|2,0,0]=4 12967 B13R0.1170 CCCCCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100000209983 [0,2,0,0,0,0|2,0,0]=4 12968 B13R0.1170 CCCCCNC(=O)NC[C@@H](C)OC 273464a_100000209983_100020591295 [0,2,0,0,0,0|2,0,0]=4 12969 B13R0.1170 CCCCCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000209983 [0,2,0,0,0,0|2,0,0]=4 12970 B13R0.1170 CCCCCNC(=O)NC[C@@H](C)OC 512a_100000209983_100020591295 [0,2,0,0,0,0|2,0,0]=4 12971 B13R0.1170 CCCCCNC(=O)NC[C@@H](C)OC 512a_100020591295_100000209983 [0,2,0,0,0,0|2,0,0]=4 12972 B13R0.1170 CCCCCNC(=O)NC[C@@H](F)CO 2708a_100000209983_100015665980 [0,2,0,0,0,0|2,0,0]=4 12973 B13R0.1170 CCCCCNC(=O)NC[C@@H](F)CO 273464a_100000209983_100015665980 [0,2,0,0,0,0|2,0,0]=4 12974 B13R0.1170 CCCCCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100000209983 [0,2,0,0,0,0|2,0,0]=4 12975 B13R0.1170 CCCCCNC(=O)NC[C@@H](F)CO 512a_100000209983_100015665980 [0,2,0,0,0,0|2,0,0]=4 12976 B13R0.1170 CCCCCNC(=O)NC[C@@H](F)CO 512a_100015665980_100000209983 [0,2,0,0,0,0|2,0,0]=4 12977 B13R0.1170 CCCCCNC(=O)NC[C@H](O)CO 2708a_100000209983_100020644852 [0,2,0,0,0,0|2,0,0]=4 12978 B13R0.1170 CCCCCNC(=O)NC[C@H](O)CO 273464a_100000209983_100020644852 [0,2,0,0,0,0|2,0,0]=4 12979 B13R0.1170 CCCCCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000209983 [0,2,0,0,0,0|2,0,0]=4 12980 B13R0.1170 CCCCCNC(=O)NNC(C)CC 273464a_100000209983_100000718999 [0,2,0,0,0,0|2,0,0]=4 12981 B13R0.1170 CCCCCNC(=O)NNC(C)CC 512a_100000209983_100000718999 [0,2,0,0,0,0|2,0,0]=4 12982 B13R0.1170 CCCCCNC(=O)NNC(C)CC 512a_100000718999_100000209983 [0,2,0,0,0,0|2,0,0]=4 12983 B13R0.1170 CCCCCOC(C)CCC(C)CC 7a_200011216552_100000210326 [0,2,0,0,0,0|1,0,1]=4 12984 B13R0.1170 CCCCNCC(=O)NCC(O)CO 2230a_100000102301_200012027429 [0,2,0,0,0,0|2,0,0]=4 12985 B13R0.1170 CCCCNCC(=O)NCC(O)CO 7a_106832991798_200012027429 [0,2,0,0,0,0|2,0,0]=4 12986 B13R0.1170 CCCCNNC(=O)CCC(C)CC 22a_100025702795_100000701222 [0,2,0,0,0,0|1,0,0]=3 12987 B13R0.1170 CCCCNNC(=O)CCC(O)CC 22a_100025702795_203496584001 [0,2,0,0,0,0|1,0,0]=3 12988 B13R0.1170 CCCCNNC(=O)CCN(C)CC 22a_100025702795_100000755305 [0,2,0,0,0,0|2,0,0]=4 12989 B13R0.1170 CCCCNNC(=O)NCC(C)CC 273464a_100020588543_100025702795 [0,2,0,0,0,0|2,0,0]=4 12990 B13R0.1170 CCCCNNC(=O)NCC(C)CC 512a_100020588543_100025702795 [0,2,0,0,0,0|2,0,0]=4 12991 B13R0.1170 CCCCNNC(=O)NCC(C)CC 512a_100025702795_100020588543 [0,2,0,0,0,0|2,0,0]=4 12992 B13R0.1170 CCCCNNC(=O)NCC(O)CC 273464a_100011218483_100025702795 [0,2,0,0,0,0|2,0,0]=4 12993 B13R0.1170 CCCCNNC(=O)NCC(O)CC 512a_100011218483_100025702795 [0,2,0,0,0,0|2,0,0]=4 12994 B13R0.1170 CCCCOCC(=O)CCC(=O)NC 1458a_100011309844_100011995733 [0,2,0,0,0,0|1,0,1]=4 12995 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 1458a_100000187943_100011995733 [0,2,0,0,0,0|1,0,1]=4 12996 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 34a_100000210227_100000691467 [0,2,0,0,0,0|1,0,1]=4 12997 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 7a_100000210227_100000691467 [0,2,0,0,0,0|1,0,1]=4 12998 B13R0.1170 CCCCOCC(=O)CCC(C)CC 1458a_100000701222_100011995733 [0,2,0,0,0,0|0,0,0]=2 12999 B13R0.1170 CCCCOCC(=O)CCN(C)CC 1458a_100000755305_100011995733 [0,2,0,0,0,0|1,0,0]=3 13000 B13R0.1170 CCCCOCC(=O)CCS(=O)CC 1458a_100011387550_100011995733 [0,2,0,0,0,0|1,0,0]=3 13001 B13R0.1170 CCCCOCC(=O)CNC(=O)CC 1458a_100000194589_100011995733 [0,2,0,0,0,0|1,0,1]=4 13002 B13R0.1170 CCCCOCC(=O)NCC(C)CC 11a_100020588543_100000757543 [0,2,0,0,0,0|1,0,0]=3 13003 B13R0.1170 CCCCOCC(=O)NCC(C)CC 1626a_100020588543_100000757543 [0,2,0,0,0,0|1,0,0]=3 13004 B13R0.1170 CCCCOCC(=O)NCC(C)CC 240690a_100020588543_100000757543 [0,2,0,0,0,0|1,0,0]=3 13005 B13R0.1170 CCCCOCC(=O)NCC(C)CC 527a_100020588543_100000757543 [0,2,0,0,0,0|1,0,0]=3 13006 B13R0.1170 CCCCOCC(=O)NCC(C)CO 240690a_100000744482_100000757543 [0,2,0,0,0,0|2,0,0]=4 13007 B13R0.1170 CCCCOCC(=O)NCC(C)CO 527a_100000744482_100000757543 [0,2,0,0,0,0|2,0,0]=4 13008 B13R0.1170 CCCCOCC(=O)NCC(O)CC 11a_100011218483_100000757543 [0,2,0,0,0,0|1,0,0]=3 13009 B13R0.1170 CCCCOCC(=O)NCC(O)CC 240690a_100011218483_100000757543 [0,2,0,0,0,0|1,0,0]=3 13010 B13R0.1170 CCCCOCC(=O)NCC(O)CC 527a_100011218483_100000757543 [0,2,0,0,0,0|1,0,0]=3 13011 B13R0.1170 CCCCOCC(=O)NCC(O)CO 34a_100000210227_200012027429 [0,2,0,0,0,0|2,0,0]=4 13012 B13R0.1170 CCCCOCC(=O)NCC(O)CO 7a_100000210227_200012027429 [0,2,0,0,0,0|2,0,0]=4 13013 B13R0.1170 CCCCOCC(=O)NC[C@@H](C)OC 11a_100020591295_100000757543 [0,2,0,0,0,0|2,0,0]=4 13014 B13R0.1170 CCCCOCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000757543 [0,2,0,0,0,0|2,0,0]=4 13015 B13R0.1170 CCCCOCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000757543 [0,2,0,0,0,0|2,0,0]=4 13016 B13R0.1170 CCCCOCC(=O)NC[C@@H](C)OC 527a_100020591295_100000757543 [0,2,0,0,0,0|2,0,0]=4 13017 B13R0.1170 CCCCOCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000757543 [0,2,0,0,0,0|2,0,0]=4 13018 B13R0.1170 CCCCOCC(=O)NC[C@@H](F)CO 527a_100015665980_100000757543 [0,2,0,0,0,0|2,0,0]=4 13019 B13R0.1170 CCCCOCC(=O)NC[C@H](O)CO 240690a_100020644852_100000757543 [0,2,0,0,0,0|2,0,0]=4 13020 B13R0.1170 CCCCOCC(=O)NC[C@H](O)CO 527a_100020644852_100000757543 [0,2,0,0,0,0|2,0,0]=4 13021 B13R0.1170 CCCCOCC(=O)NNC(C)CC 22a_100000718999_100000757543 [0,2,0,0,0,0|2,0,0]=4 13022 B13R0.1170 CCCCOCC(C)OCC(C)CC 34a_100011217071_100000748023 [0,2,0,0,0,0|1,0,1]=4 13023 B13R0.1170 CCCCOCC(C)OCC(C)CC 7a_100011217071_100000748023 [0,2,0,0,0,0|1,0,1]=4 13024 B13R0.1170 CCCCOCC(C)OCC(O)CC 34a_100011217071_100011218378 [0,2,0,0,0,0|1,0,1]=4 13025 B13R0.1170 CCCCOCC(C)OCC(O)CC 7a_100011217071_100011218378 [0,2,0,0,0,0|1,0,1]=4 13026 B13R0.1170 CCCCOCC(C)OC[C@@H](C)CC 34a_100011217071_100009816398 [0,2,0,0,0,0|1,0,1]=4 13027 B13R0.1170 CCCCOCC(C)OC[C@@H](C)CC 7a_100011217071_100009816398 [0,2,0,0,0,0|1,0,1]=4 13028 B13R0.1170 CCCCSCC(=O)NCC(C)CC 11a_100020588543_100000191162 [0,2,0,0,0,0|1,0,0]=3 13029 B13R0.1170 CCCCSCC(=O)NCC(C)CC 1626a_100020588543_100000191162 [0,2,0,0,0,0|1,0,0]=3 13030 B13R0.1170 CCCCSCC(=O)NCC(C)CC 240690a_100020588543_100000191162 [0,2,0,0,0,0|1,0,0]=3 13031 B13R0.1170 CCCCSCC(=O)NCC(C)CC 527a_100020588543_100000191162 [0,2,0,0,0,0|1,0,0]=3 13032 B13R0.1170 CCCCSCC(=O)NCC(C)CO 240690a_100000744482_100000191162 [0,2,0,0,0,0|2,0,0]=4 13033 B13R0.1170 CCCCSCC(=O)NCC(C)CO 527a_100000744482_100000191162 [0,2,0,0,0,0|2,0,0]=4 13034 B13R0.1170 CCCCSCC(=O)NCC(O)CC 11a_100011218483_100000191162 [0,2,0,0,0,0|1,0,0]=3 13035 B13R0.1170 CCCCSCC(=O)NCC(O)CC 240690a_100011218483_100000191162 [0,2,0,0,0,0|1,0,0]=3 13036 B13R0.1170 CCCCSCC(=O)NCC(O)CC 527a_100011218483_100000191162 [0,2,0,0,0,0|1,0,0]=3 13037 B13R0.1170 CCCCSCC(=O)NCC(O)CO 62a_100000210211_200012027429 [0,2,0,0,0,0|2,0,0]=4 13038 B13R0.1170 CCCCSCC(=O)NCC(O)CO 62a_200012027429_100000210210 [0,2,0,0,0,0|2,0,0]=4 13039 B13R0.1170 CCCCSCC(=O)NC[C@@H](C)OC 11a_100020591295_100000191162 [0,2,0,0,0,0|2,0,0]=4 13040 B13R0.1170 CCCCSCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000191162 [0,2,0,0,0,0|2,0,0]=4 13041 B13R0.1170 CCCCSCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000191162 [0,2,0,0,0,0|2,0,0]=4 13042 B13R0.1170 CCCCSCC(=O)NC[C@@H](C)OC 527a_100020591295_100000191162 [0,2,0,0,0,0|2,0,0]=4 13043 B13R0.1170 CCCCSCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000191162 [0,2,0,0,0,0|2,0,0]=4 13044 B13R0.1170 CCCCSCC(=O)NC[C@@H](F)CO 527a_100015665980_100000191162 [0,2,0,0,0,0|2,0,0]=4 13045 B13R0.1170 CCCCSCC(=O)NC[C@H](O)CO 240690a_100020644852_100000191162 [0,2,0,0,0,0|2,0,0]=4 13046 B13R0.1170 CCCCSCC(=O)NC[C@H](O)CO 527a_100020644852_100000191162 [0,2,0,0,0,0|2,0,0]=4 13047 B13R0.1170 CCCCSCC(=O)NNC(C)CC 22a_100000718999_100000191162 [0,2,0,0,0,0|2,0,0]=4 13048 B13R0.1170 CCCOCCC(=O)CCC(C)CC 1458a_100000701222_100011215938 [0,2,0,0,0,0|1,0,0]=3 13049 B13R0.1170 CCCOCCC(=O)CCN(C)CC 1458a_100000755305_100011215938 [0,2,0,0,0,0|2,0,0]=4 13050 B13R0.1170 CCCOCCC(=O)CCS(=O)CC 1458a_100011387550_100011215938 [0,2,0,0,0,0|2,0,0]=4 13051 B13R0.1170 CCN(C)CCC(=O)CCCCCF 1458a_100000755305_100000729378 [0,2,0,0,0,0|2,0,0]=4 13052 B13R0.1170 CCN(C)CCC(=O)CCCCCO 1458a_100000755305_100000746330 [0,2,0,0,0,0|2,0,0]=4 13053 B13R0.1170 CCN(C)CCC(=O)CCCCOC 1458a_100000755305_100000755781 [0,2,0,0,0,0|2,0,0]=4 13054 B13R0.1170 CCN(C)CCC(=O)NCCCCO 240690a_100000750430_100000755305 [0,2,0,0,0,0|2,0,0]=4 13055 B13R0.1170 CCN(C)CCC(=O)NCCCOC 240690a_100150723488_100000755305 [0,2,0,0,0,0|2,0,0]=4 13056 B13R0.1170 CCN(C)CCC(=O)NCCCSC 240690a_100000749238_100000755305 [0,2,0,0,0,0|2,0,0]=4 13057 B13R0.1170 CCOCCCC(=O)CCC(C)CC 1458a_100000701222_100012232248 [0,2,0,0,0,0|1,0,0]=3 13058 B13R0.1170 CCOCCCC(=O)CCN(C)CC 1458a_100000755305_100012232248 [0,2,0,0,0,0|2,0,0]=4 13059 B13R0.1170 CCOCCCC(=O)CCS(=O)CC 1458a_100011387550_100012232248 [0,2,0,0,0,0|2,0,0]=4 13060 B13R0.1170 CCOCCNC(=O)CCC(C)CC 11a_100011200944_100000701222 [0,2,0,0,0,0|1,0,0]=3 13061 B13R0.1170 CCOCCNC(=O)CCC(C)CC 1626a_102516460346_100000701222 [0,2,0,0,0,0|1,0,0]=3 13062 B13R0.1170 CCOCCNC(=O)CCC(C)CC 240690a_100011200944_100000701222 [0,2,0,0,0,0|1,0,0]=3 13063 B13R0.1170 CCOCCNC(=O)CCC(C)CC 527a_100011200944_100000701222 [0,2,0,0,0,0|1,0,0]=3 13064 B13R0.1170 CCOCCNC(=O)CCC(O)CC 1626a_102516460346_203496584001 [0,2,0,0,0,0|1,0,0]=3 13065 B13R0.1170 CCOCCNC(=O)CCC(O)CC 240690a_100011200944_203496584001 [0,2,0,0,0,0|1,0,0]=3 13066 B13R0.1170 CCOCCNC(=O)CCN(C)CC 240690a_100011200944_100000755305 [0,2,0,0,0,0|2,0,0]=4 13067 B13R0.1170 CCOCCNC(=O)CCS(=O)CC 11a_100011200944_100011387550 [0,2,0,0,0,0|2,0,0]=4 13068 B13R0.1170 CCOCCNC(=O)CCS(=O)CC 1626a_102516460346_100011387550 [0,2,0,0,0,0|2,0,0]=4 13069 B13R0.1170 CCOCCNC(=O)CCS(=O)CC 240690a_100011200944_100011387550 [0,2,0,0,0,0|2,0,0]=4 13070 B13R0.1170 CCOCCNC(=O)CCS(=O)CC 527a_100011200944_100011387550 [0,2,0,0,0,0|2,0,0]=4 13071 B13R0.1170 CCOCCNC(=O)NCC(C)CC 2708a_100011200944_100020588543 [0,2,0,0,0,0|2,0,0]=4 13072 B13R0.1170 CCOCCNC(=O)NCC(C)CC 2708a_100020588543_100011200944 [0,2,0,0,0,0|2,0,0]=4 13073 B13R0.1170 CCOCCNC(=O)NCC(C)CC 273464a_100020588543_102516460346 [0,2,0,0,0,0|2,0,0]=4 13074 B13R0.1170 CCOCCNC(=O)NCC(C)CC 273464a_102516460346_100020588543 [0,2,0,0,0,0|2,0,0]=4 13075 B13R0.1170 CCOCCNC(=O)NCC(C)CC 512a_100011200944_100020588543 [0,2,0,0,0,0|2,0,0]=4 13076 B13R0.1170 CCOCCNC(=O)NCC(C)CC 512a_100020588543_100011200944 [0,2,0,0,0,0|2,0,0]=4 13077 B13R0.1170 CCOCCNC(=O)NCC(O)CC 2708a_100011200944_100011218483 [0,2,0,0,0,0|2,0,0]=4 13078 B13R0.1170 CCOCCNC(=O)NCC(O)CC 273464a_100011218483_102516460346 [0,2,0,0,0,0|2,0,0]=4 13079 B13R0.1170 CCOCCNC(=O)NCC(O)CC 273464a_102516460346_100011218483 [0,2,0,0,0,0|2,0,0]=4 13080 B13R0.1170 CCOCCNC(=O)NCC(O)CC 512a_100011218483_100011200944 [0,2,0,0,0,0|2,0,0]=4 13081 B13R0.1170 CCOCCOC(=O)CNC(C)CC 2230a_100000209981_200000101388 [0,2,0,0,0,0|1,0,0]=3 13082 B13R0.1170 CCOCCOC(=O)CN[C@H](C)CO 2230a_100000737577_200000101388 [0,2,0,0,0,0|2,0,0]=4 13083 B13R0.1170 CCOCCOC(=O)COC(C)CC 7a_100000210228_200000101388 [0,2,0,0,0,0|1,0,0]=3 13084 B13R0.1170 CCOCCOC(=O)COC(C)CF 34a_100016041109_200000101388 [0,2,0,0,0,0|2,0,0]=4 13085 B13R0.1170 CCOCCOC(=O)COC(C)CF 7a_100016041109_200000101388 [0,2,0,0,0,0|2,0,0]=4 13086 B13R0.1170 CCOCCOC(=O)COC(C)CN 34a_100000210904_200000101388 [0,2,0,0,0,0|2,0,0]=4 13087 B13R0.1170 CCOCCOC(=O)CSC(C)CC 62a_100000758301_200000101388 [0,2,0,0,0,0|1,0,0]=3 13088 B13R0.1170 CCOCCOC(=O)CSC(C)CC 62a_200000101388_100000758301 [0,2,0,0,0,0|1,0,0]=3 13089 B13R0.1170 CCOCCOC(=O)CSC(C)CO 62a_100012180447_200000101388 [0,2,0,0,0,0|2,0,0]=4 13090 B13R0.1170 CCOCCOC(=O)CSC(C)OC 62a_100009879195_200000101388 [0,2,0,0,0,0|2,0,0]=4 13091 B13R0.1170 CCOCCOC(=O)CSC(C)OC 62a_200000101388_100009879195 [0,2,0,0,0,0|2,0,0]=4 13092 B13R0.1170 CCOCCOC(=O)CS[C@H](C)CO 62a_100016084084_200000101388 [0,2,0,0,0,0|2,0,0]=4 13093 B13R0.1170 CCOCCOC(=O)CS[C@H](C)CO 62a_200000101388_100016084084 [0,2,0,0,0,0|2,0,0]=4 13094 B13R0.1170 CCOCCOC(C)CCC(C)CC 7a_200011216552_100011215890 [0,2,0,0,0,0|1,0,1]=4 13095 B13R0.1170 CCS(=O)CCC(=O)CCCCCF 1458a_100011387550_100000729378 [0,2,0,0,0,0|2,0,0]=4 13096 B13R0.1170 CCS(=O)CCC(=O)CCCCCO 1458a_100011387550_100000746330 [0,2,0,0,0,0|2,0,0]=4 13097 B13R0.1170 CCS(=O)CCC(=O)CCCCOC 1458a_100011387550_100000755781 [0,2,0,0,0,0|2,0,0]=4 13098 B13R0.1170 CCS(=O)CCC(=O)NCCCCO 240690a_100000750430_100011387550 [0,2,0,0,0,0|2,0,0]=4 13099 B13R0.1170 CCS(=O)CCC(=O)NCCCCO 527a_100000750430_100011387550 [0,2,0,0,0,0|2,0,0]=4 13100 B13R0.1170 CCS(=O)CCC(=O)NCCCOC 1626a_100150723488_100011387550 [0,2,0,0,0,0|2,0,0]=4 13101 B13R0.1170 CCS(=O)CCC(=O)NCCCOC 240690a_100150723488_100011387550 [0,2,0,0,0,0|2,0,0]=4 13102 B13R0.1170 CCS(=O)CCC(=O)NCCCOC 527a_100150723488_100011387550 [0,2,0,0,0,0|2,0,0]=4 13103 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 11a_100000749238_100011387550 [0,2,0,0,0,0|2,0,0]=4 13104 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 1626a_100000749238_100011387550 [0,2,0,0,0,0|2,0,0]=4 13105 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 240690a_100000749238_100011387550 [0,2,0,0,0,0|2,0,0]=4 13106 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 527a_100000749238_100011387550 [0,2,0,0,0,0|2,0,0]=4 13107 B13R0.1170 CCSCCNC(=O)CCC(C)CC 11a_100000106463_100000701222 [0,2,0,0,0,0|1,0,0]=3 13108 B13R0.1170 CCSCCNC(=O)CCC(C)CC 1626a_100000106463_100000701222 [0,2,0,0,0,0|1,0,0]=3 13109 B13R0.1170 CCSCCNC(=O)CCC(C)CC 240690a_100000106463_100000701222 [0,2,0,0,0,0|1,0,0]=3 13110 B13R0.1170 CCSCCNC(=O)CCC(C)CC 527a_100000106463_100000701222 [0,2,0,0,0,0|1,0,0]=3 13111 B13R0.1170 CCSCCNC(=O)CCC(O)CC 1626a_100000106463_203496584001 [0,2,0,0,0,0|1,0,0]=3 13112 B13R0.1170 CCSCCNC(=O)CCC(O)CC 240690a_100000106463_203496584001 [0,2,0,0,0,0|1,0,0]=3 13113 B13R0.1170 CCSCCNC(=O)CCN(C)CC 240690a_100000106463_100000755305 [0,2,0,0,0,0|2,0,0]=4 13114 B13R0.1170 CCSCCNC(=O)CCS(=O)CC 11a_100000106463_100011387550 [0,2,0,0,0,0|2,0,0]=4 13115 B13R0.1170 CCSCCNC(=O)CCS(=O)CC 1626a_100000106463_100011387550 [0,2,0,0,0,0|2,0,0]=4 13116 B13R0.1170 CCSCCNC(=O)CCS(=O)CC 240690a_100000106463_100011387550 [0,2,0,0,0,0|2,0,0]=4 13117 B13R0.1170 CCSCCNC(=O)CCS(=O)CC 527a_100000106463_100011387550 [0,2,0,0,0,0|2,0,0]=4 13118 B13R0.1170 CCSCCNC(=O)NCC(C)CC 2708a_100000106463_100020588543 [0,2,0,0,0,0|2,0,0]=4 13119 B13R0.1170 CCSCCNC(=O)NCC(C)CC 2708a_100020588543_100000106463 [0,2,0,0,0,0|2,0,0]=4 13120 B13R0.1170 CCSCCNC(=O)NCC(C)CC 273464a_100000106463_100020588543 [0,2,0,0,0,0|2,0,0]=4 13121 B13R0.1170 CCSCCNC(=O)NCC(C)CC 273464a_100020588543_100000106463 [0,2,0,0,0,0|2,0,0]=4 13122 B13R0.1170 CCSCCNC(=O)NCC(C)CC 512a_100000106463_100020588543 [0,2,0,0,0,0|2,0,0]=4 13123 B13R0.1170 CCSCCNC(=O)NCC(C)CC 512a_100020588543_100000106463 [0,2,0,0,0,0|2,0,0]=4 13124 B13R0.1170 CCSCCNC(=O)NCC(O)CC 2708a_100000106463_100011218483 [0,2,0,0,0,0|2,0,0]=4 13125 B13R0.1170 CCSCCNC(=O)NCC(O)CC 273464a_100000106463_100011218483 [0,2,0,0,0,0|2,0,0]=4 13126 B13R0.1170 CCSCCNC(=O)NCC(O)CC 273464a_100011218483_100000106463 [0,2,0,0,0,0|2,0,0]=4 13127 B13R0.1170 CCSCCNC(=O)NCC(O)CC 512a_100011218483_100000106463 [0,2,0,0,0,0|2,0,0]=4 13128 B13R0.1170 CCSCCOC(C)CCC(C)CC 7a_200011216552_100000757381 [0,2,0,0,0,0|1,0,1]=4 13129 B13R0.1170 CNC(=O)CCC(=O)OCCCCO 1626a_100102657272_200009914559 [0,2,0,0,0,0|1,0,1]=4 13130 B13R0.1170 CNC(=O)CCC(=O)OCCCCO 240690a_100102657272_200009914559 [0,2,0,0,0,0|1,0,1]=4 13131 B13R0.1170 CO[C@H](C)CNC(=O)CCCCCO 240690a_100020591295_100102619762 [0,2,0,0,0,0|2,0,0]=4 13132 B13R0.1170 O=C(CCCCCO)NC[C@@H](F)CO 240690a_100015665980_100102619762 [0,2,0,0,0,0|2,0,0]=4 13133 B13R0.1170 O=C(CCCCCO)NC[C@H](O)CO 240690a_100020644852_100102619762 [0,2,0,0,0,0|2,0,0]=4 13134 B13R0.1170 O=C(CF)CCC(=O)OCCCCO 1458a_200009914559_100015361967 [0,2,0,0,0,0|1,0,1]=4 13135 B13R0.1171 C#CCCCCC(=O)C(C)CCCC 1458a_100000696528_200011215066 [0,2,0,0,0,0|1,0,1]=4 13136 B13R0.1171 C#CCCCCC(=O)C(C)CCCC 1458a_100000725509_100010269958 [0,2,0,0,0,0|1,0,1]=4 13137 B13R0.1171 C#CCCCCC(=O)C(O)CCCC 1458a_100000720857_100010269958 [0,2,0,0,0,0|1,0,1]=4 13138 B13R0.1171 C#CCCCCC(=O)N(C)CCCC 11a_100000207549_100000696528 [0,2,0,0,0,0|1,0,1]=4 13139 B13R0.1171 C#CCCCCC(=O)N(C)CCCC 1626a_100000207549_100000696528 [0,2,0,0,0,0|1,0,1]=4 13140 B13R0.1171 C#CCCCCC(=O)N(C)CCCC 240690a_100000207549_100000696528 [0,2,0,0,0,0|1,0,1]=4 13141 B13R0.1171 C#CCCCCC(=O)N(C)CCCC 527a_100000207549_100000696528 [0,2,0,0,0,0|1,0,1]=4 13142 B13R0.1171 C#CCCCNC(=O)C(C)CCCC 11a_100000718082_100000725509 [0,2,0,0,0,0|1,0,1]=4 13143 B13R0.1171 C#CCCCNC(=O)C(C)CCCC 1626a_100000718082_100000725509 [0,2,0,0,0,0|1,0,1]=4 13144 B13R0.1171 C#CCCCNC(=O)C(C)CCCC 240690a_100000718082_100000725509 [0,2,0,0,0,0|1,0,1]=4 13145 B13R0.1171 C#CCCCNC(=O)C(C)CCCC 527a_100000718082_100000725509 [0,2,0,0,0,0|1,0,1]=4 13146 B13R0.1171 C#CCCCNC(=O)C(O)CCCC 240690a_100000718082_100000720857 [0,2,0,0,0,0|1,0,1]=4 13147 B13R0.1171 C#CCCCNC(=O)C(O)CCCC 527a_100000718082_100000720857 [0,2,0,0,0,0|1,0,1]=4 13148 B13R0.1171 C=CCCCCC(=O)C(C)CCCC 1458a_100000725509_100011215482 [0,2,0,0,0,0|1,0,1]=4 13149 B13R0.1171 C=CCCCCC(=O)C(C)CCCC 1458a_100011215552_200011215066 [0,2,0,0,0,0|1,0,1]=4 13150 B13R0.1171 C=CCCCCC(=O)C(O)CCCC 1458a_100000720857_100011215482 [0,2,0,0,0,0|1,0,1]=4 13151 B13R0.1171 C=CCCCCC(=O)N(C)CCCC 11a_100000207549_100011215552 [0,2,0,0,0,0|1,0,1]=4 13152 B13R0.1171 C=CCCCCC(=O)N(C)CCCC 1626a_100000207549_100011215552 [0,2,0,0,0,0|1,0,1]=4 13153 B13R0.1171 C=CCCCCC(=O)N(C)CCCC 240690a_100000207549_100011215552 [0,2,0,0,0,0|1,0,1]=4 13154 B13R0.1171 C=CCCCCC(=O)N(C)CCCC 527a_100000207549_100011215552 [0,2,0,0,0,0|1,0,1]=4 13155 B13R0.1171 C=CCCCNC(=O)C(C)CCCC 11a_100000700776_100000725509 [0,2,0,0,0,0|1,0,1]=4 13156 B13R0.1171 C=CCCCNC(=O)C(C)CCCC 1626a_100000700776_100000725509 [0,2,0,0,0,0|1,0,1]=4 13157 B13R0.1171 C=CCCCNC(=O)C(C)CCCC 240690a_100000700776_100000725509 [0,2,0,0,0,0|1,0,1]=4 13158 B13R0.1171 C=CCCCNC(=O)C(C)CCCC 527a_100000700776_100000725509 [0,2,0,0,0,0|1,0,1]=4 13159 B13R0.1171 C=CCCCNC(=O)C(O)CCCC 240690a_100000700776_100000720857 [0,2,0,0,0,0|1,0,1]=4 13160 B13R0.1171 C=CCCCNC(=O)C(O)CCCC 527a_100000700776_100000720857 [0,2,0,0,0,0|1,0,1]=4 13161 B13R0.1171 CC/C=C\CCC(=O)C(C)CCCC 1458a_100000725509_100015370543 [0,2,0,0,0,0|1,0,1]=4 13162 B13R0.1171 CC/C=C\CCC(=O)C(O)CCCC 1458a_100000720857_100015370543 [0,2,0,0,0,0|1,0,1]=4 13163 B13R0.1171 CCC/C=C(\C)/C(=O)CCCCCC 1458a_200020648666_100000210757 [0,2,0,0,0,0|1,0,1]=4 13164 B13R0.1171 CCC/C=C(\C)/C(=O)CCCCCF 1458a_200020648666_100000729378 [0,2,0,0,0,0|1,0,1]=4 13165 B13R0.1171 CCC/C=C(\C)/C(=O)CCCCCO 1458a_200020648666_100000746330 [0,2,0,0,0,0|1,0,1]=4 13166 B13R0.1171 CCC/C=C(\C)/C(=O)CCCCOC 1458a_200020648666_100000755781 [0,2,0,0,0,0|1,0,1]=4 13167 B13R0.1171 CCC/C=C(\C)/C(=O)CCCOCC 1458a_200020648666_100012232248 [0,2,0,0,0,0|1,0,1]=4 13168 B13R0.1171 CCC/C=C(\C)/C(=O)CCOCCC 1458a_200020648666_100011215938 [0,2,0,0,0,0|1,0,1]=4 13169 B13R0.1171 CCC/C=C(\C)/C(=O)COCCCC 1458a_200020648666_100011995733 [0,2,0,0,0,0|0,0,2]=4 13170 B13R0.1171 CCC/C=C(\C)/C(=O)NCCCCC 11a_100000209983_200020648666 [0,2,0,0,0,0|1,0,1]=4 13171 B13R0.1171 CCC/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_200020648666 [0,2,0,0,0,0|1,0,1]=4 13172 B13R0.1171 CCC/C=C(\C)/C(=O)NCCCCC 240690a_100000209983_200020648666 [0,2,0,0,0,0|1,0,1]=4 13173 B13R0.1171 CCC/C=C/CC(=O)C(C)CCCC 1458a_200016266809_200011215066 [0,2,0,0,0,0|1,0,1]=4 13174 B13R0.1171 CCC/C=C/CC(=O)N(C)CCCC 11a_100000207549_200016266809 [0,2,0,0,0,0|1,0,1]=4 13175 B13R0.1171 CCC/C=C/CC(=O)N(C)CCCC 1626a_100000207549_200016266809 [0,2,0,0,0,0|1,0,1]=4 13176 B13R0.1171 CCC/C=C/CC(=O)N(C)CCCC 240690a_100000207549_200016266809 [0,2,0,0,0,0|1,0,1]=4 13177 B13R0.1171 CCC/C=C/CC(=O)N(C)CCCC 527a_100000207549_200016266809 [0,2,0,0,0,0|1,0,1]=4 13178 B13R0.1171 CCCCC(C)C(=O)CCCCC#N 1458a_100000725509_100000211819 [0,2,0,0,0,0|1,0,1]=4 13179 B13R0.1171 CCCCC(C)C(=O)CCCCCF 1458a_100000725509_100000729378 [0,2,0,0,0,0|1,0,0]=3 13180 B13R0.1171 CCCCC(C)C(=O)CCCCCO 1458a_100000725509_100000746330 [0,2,0,0,0,0|1,0,0]=3 13181 B13R0.1171 CCCCC(C)C(=O)CCCCCO 1458a_100102619762_200011215066 [0,2,0,0,0,0|1,0,0]=3 13182 B13R0.1171 CCCCC(C)C(=O)CCCCOC 1458a_100000725509_100000755781 [0,2,0,0,0,0|1,0,0]=3 13183 B13R0.1171 CCCCC(C)C(=O)CCCOCC 1458a_100000725509_100012232248 [0,2,0,0,0,0|1,0,0]=3 13184 B13R0.1171 CCCCC(C)C(=O)CCOCCC 1458a_100000725509_100011215938 [0,2,0,0,0,0|1,0,0]=3 13185 B13R0.1171 CCCCC(C)C(=O)CCOCCO 1458a_100000725509_100011215305 [0,2,0,0,0,0|2,0,0]=4 13186 B13R0.1171 CCCCC(C)C(=O)CCOCCO 1458a_100011229844_200011215066 [0,2,0,0,0,0|2,0,0]=4 13187 B13R0.1171 CCCCC(C)C(=O)COCCOC 1458a_100000211095_200011215066 [0,2,0,0,0,0|1,0,0]=3 13188 B13R0.1171 CCCCC(C)C(=O)NCCCCO 240690a_100000750430_100000725509 [0,2,0,0,0,0|1,0,0]=3 13189 B13R0.1171 CCCCC(C)C(=O)NCCCCO 527a_100000750430_100000725509 [0,2,0,0,0,0|1,0,0]=3 13190 B13R0.1171 CCCCC(C)C(=O)NCCCOC 1626a_100150723488_100000725509 [0,2,0,0,0,0|1,0,0]=3 13191 B13R0.1171 CCCCC(C)C(=O)NCCCOC 240690a_100150723488_100000725509 [0,2,0,0,0,0|1,0,0]=3 13192 B13R0.1171 CCCCC(C)C(=O)NCCCOC 527a_100150723488_100000725509 [0,2,0,0,0,0|1,0,0]=3 13193 B13R0.1171 CCCCC(C)C(=O)NCCCSC 11a_100000749238_100000725509 [0,2,0,0,0,0|1,0,0]=3 13194 B13R0.1171 CCCCC(C)C(=O)NCCCSC 1626a_100000749238_100000725509 [0,2,0,0,0,0|1,0,0]=3 13195 B13R0.1171 CCCCC(C)C(=O)NCCCSC 240690a_100000749238_100000725509 [0,2,0,0,0,0|1,0,0]=3 13196 B13R0.1171 CCCCC(C)C(=O)NCCCSC 527a_100000749238_100000725509 [0,2,0,0,0,0|1,0,0]=3 13197 B13R0.1171 CCCCC(C)C(=O)NCCOCC 11a_100011200944_100000725509 [0,2,0,0,0,0|1,0,0]=3 13198 B13R0.1171 CCCCC(C)C(=O)NCCOCC 1626a_102516460346_100000725509 [0,2,0,0,0,0|1,0,0]=3 13199 B13R0.1171 CCCCC(C)C(=O)NCCOCC 240690a_100011200944_100000725509 [0,2,0,0,0,0|1,0,0]=3 13200 B13R0.1171 CCCCC(C)C(=O)NCCOCC 527a_100011200944_100000725509 [0,2,0,0,0,0|1,0,0]=3 13201 B13R0.1171 CCCCC(C)C(=O)NCCSCC 11a_100000106463_100000725509 [0,2,0,0,0,0|1,0,0]=3 13202 B13R0.1171 CCCCC(C)C(=O)NCCSCC 1626a_100000106463_100000725509 [0,2,0,0,0,0|1,0,0]=3 13203 B13R0.1171 CCCCC(C)C(=O)NCCSCC 240690a_100000106463_100000725509 [0,2,0,0,0,0|1,0,0]=3 13204 B13R0.1171 CCCCC(C)C(=O)NCCSCC 527a_100000106463_100000725509 [0,2,0,0,0,0|1,0,0]=3 13205 B13R0.1171 CCCCC(C)C(=O)NNCCOC 22a_100000741390_100000725509 [0,2,0,0,0,0|2,0,0]=4 13206 B13R0.1171 CCCCC(O)C(=O)CCCCC#N 1458a_100000720857_100000211819 [0,2,0,0,0,0|1,0,1]=4 13207 B13R0.1171 CCCCC(O)C(=O)CCCCCF 1458a_100000720857_100000729378 [0,2,0,0,0,0|1,0,0]=3 13208 B13R0.1171 CCCCC(O)C(=O)CCCCCO 1458a_100000720857_100000746330 [0,2,0,0,0,0|1,0,0]=3 13209 B13R0.1171 CCCCC(O)C(=O)CCCCOC 1458a_100000720857_100000755781 [0,2,0,0,0,0|1,0,0]=3 13210 B13R0.1171 CCCCC(O)C(=O)CCCOCC 1458a_100000720857_100012232248 [0,2,0,0,0,0|1,0,0]=3 13211 B13R0.1171 CCCCC(O)C(=O)CCOCCC 1458a_100000720857_100011215938 [0,2,0,0,0,0|1,0,0]=3 13212 B13R0.1171 CCCCC(O)C(=O)CCOCCO 1458a_100000720857_100011215305 [0,2,0,0,0,0|2,0,0]=4 13213 B13R0.1171 CCCCC(O)C(=O)NCCCCO 240690a_100000750430_100000720857 [0,2,0,0,0,0|1,0,0]=3 13214 B13R0.1171 CCCCC(O)C(=O)NCCCCO 527a_100000750430_100000720857 [0,2,0,0,0,0|1,0,0]=3 13215 B13R0.1171 CCCCC(O)C(=O)NCCCOC 240690a_100150723488_100000720857 [0,2,0,0,0,0|1,0,0]=3 13216 B13R0.1171 CCCCC(O)C(=O)NCCCOC 527a_100150723488_100000720857 [0,2,0,0,0,0|1,0,0]=3 13217 B13R0.1171 CCCCC(O)C(=O)NCCCSC 240690a_100000749238_100000720857 [0,2,0,0,0,0|1,0,0]=3 13218 B13R0.1171 CCCCC(O)C(=O)NCCCSC 527a_100000749238_100000720857 [0,2,0,0,0,0|1,0,0]=3 13219 B13R0.1171 CCCCC(O)C(=O)NCCOCC 240690a_100011200944_100000720857 [0,2,0,0,0,0|1,0,0]=3 13220 B13R0.1171 CCCCC(O)C(=O)NCCOCC 527a_100011200944_100000720857 [0,2,0,0,0,0|1,0,0]=3 13221 B13R0.1171 CCCCC(O)C(=O)NCCSCC 240690a_100000106463_100000720857 [0,2,0,0,0,0|1,0,0]=3 13222 B13R0.1171 CCCCC(O)C(=O)NCCSCC 527a_100000106463_100000720857 [0,2,0,0,0,0|1,0,0]=3 13223 B13R0.1171 CCCCC(O)C(=O)NNCCOC 22a_100000741390_100000720857 [0,2,0,0,0,0|2,0,0]=4 13224 B13R0.1171 CCCCC=CC(=O)C(C)CCCC 1458a_100016266645_200011215066 [0,2,0,0,0,0|1,0,0]=3 13225 B13R0.1171 CCCCC=CC(=O)N(C)CCCC 11a_100000207549_100016266645 [0,2,0,0,0,0|1,0,1]=4 13226 B13R0.1171 CCCCC=CC(=O)N(C)CCCC 1626a_100000207549_100016266645 [0,2,0,0,0,0|1,0,1]=4 13227 B13R0.1171 CCCCC=CC(=O)N(C)CCCC 240690a_100000207549_100016266645 [0,2,0,0,0,0|1,0,1]=4 13228 B13R0.1171 CCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210757 [0,2,0,0,0,0|2,0,0]=4 13229 B13R0.1171 CCCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210757 [0,2,0,0,0,0|1,0,0]=3 13230 B13R0.1171 CCCCCCC(=O)C(C)CCCC 1458a_100102632555_200011215066 [0,2,0,0,0,0|1,0,0]=3 13231 B13R0.1171 CCCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210757 [0,2,0,0,0,0|1,0,0]=3 13232 B13R0.1171 CCCCCCC(=O)C(O)CCSC 1458a_100000685904_100000210757 [0,2,0,0,0,0|2,0,0]=4 13233 B13R0.1171 CCCCCCC(=O)N(C)CCCC 11a_100000207549_100102632555 [0,2,0,0,0,0|1,0,0]=3 13234 B13R0.1171 CCCCCCC(=O)N(C)CCCC 1626a_100000207549_100102632555 [0,2,0,0,0,0|1,0,0]=3 13235 B13R0.1171 CCCCCCC(=O)N(C)CCCC 240690a_100000207549_100102632555 [0,2,0,0,0,0|1,0,0]=3 13236 B13R0.1171 CCCCCCC(=O)N(C)CCCC 527a_100000207549_100102632555 [0,2,0,0,0,0|1,0,0]=3 13237 B13R0.1171 CCCCCCC(=O)N(C)CCCO 240690a_100000213112_100102632555 [0,2,0,0,0,0|2,0,0]=4 13238 B13R0.1171 CCCCCCC(=O)N(C)CCCO 527a_100000213112_100102632555 [0,2,0,0,0,0|2,0,0]=4 13239 B13R0.1171 CCCCCCC(=O)N(C)CCOC 11a_100000743101_100102632555 [0,2,0,0,0,0|2,0,0]=4 13240 B13R0.1171 CCCCCCC(=O)N(C)CCOC 1626a_100000743101_100102632555 [0,2,0,0,0,0|2,0,0]=4 13241 B13R0.1171 CCCCCCC(=O)N(C)CCOC 240690a_100000743101_100102632555 [0,2,0,0,0,0|2,0,0]=4 13242 B13R0.1171 CCCCCCC(=O)N(C)CCOC 527a_100000743101_100102632555 [0,2,0,0,0,0|2,0,0]=4 13243 B13R0.1171 CCCCCCC(=O)N(C)CCSC 11a_100000686725_100102632555 [0,2,0,0,0,0|2,0,0]=4 13244 B13R0.1171 CCCCCCC(=O)N(C)CCSC 1626a_100000686725_100102632555 [0,2,0,0,0,0|2,0,0]=4 13245 B13R0.1171 CCCCCCC(=O)N(C)CCSC 240690a_100000686725_100102632555 [0,2,0,0,0,0|2,0,0]=4 13246 B13R0.1171 CCCCCCC(=O)N(C)CCSC 527a_100000686725_100102632555 [0,2,0,0,0,0|2,0,0]=4 13247 B13R0.1171 CCCCCNC(=O)C(=O)NCCC 1626a_100000209983_200011297150 [0,2,0,0,0,0|2,0,0]=4 13248 B13R0.1171 CCCCCNC(=O)C(=O)NCCC 240690a_100000209983_200011297150 [0,2,0,0,0,0|2,0,0]=4 13249 B13R0.1171 CCCCCNC(=O)C(=O)NCCC 527a_100000209983_200011297150 [0,2,0,0,0,0|2,0,0]=4 13250 B13R0.1171 CCCCCNC(=O)C(C)CCCC 11a_100000209983_100000725509 [0,2,0,0,0,0|1,0,0]=3 13251 B13R0.1171 CCCCCNC(=O)C(C)CCCC 1626a_100000209983_100000725509 [0,2,0,0,0,0|1,0,0]=3 13252 B13R0.1171 CCCCCNC(=O)C(C)CCCC 240690a_100000209983_100000725509 [0,2,0,0,0,0|1,0,0]=3 13253 B13R0.1171 CCCCCNC(=O)C(C)CCCC 527a_100000209983_100000725509 [0,2,0,0,0,0|1,0,0]=3 13254 B13R0.1171 CCCCCNC(=O)C(C)SCCC 62a_100000210303_100000735910 [0,2,0,0,0,0|2,0,0]=4 13255 B13R0.1171 CCCCCNC(=O)C(C)SCCC 62a_100000735910_100000210303 [0,2,0,0,0,0|2,0,0]=4 13256 B13R0.1171 CCCCCNC(=O)C(O)CCCC 240690a_100000209983_100000720857 [0,2,0,0,0,0|1,0,0]=3 13257 B13R0.1171 CCCCCNC(=O)C(O)CCCC 527a_100000209983_100000720857 [0,2,0,0,0,0|1,0,0]=3 13258 B13R0.1171 CCCCCNC(=O)C(O)CCSC 240690a_100000209983_100000685904 [0,2,0,0,0,0|2,0,0]=4 13259 B13R0.1171 CCCCCNC(=O)N(C)CCCC 2708a_100000209983_100000207549 [0,2,0,0,0,0|1,0,0]=3 13260 B13R0.1171 CCCCCNC(=O)N(C)CCCC 273464a_100000209983_100000207549 [0,2,0,0,0,0|1,0,0]=3 13261 B13R0.1171 CCCCCNC(=O)N(C)CCCO 2708a_100000209983_100000213112 [0,2,0,0,0,0|2,0,0]=4 13262 B13R0.1171 CCCCCNC(=O)N(C)CCCO 273464a_100000209983_100000213112 [0,2,0,0,0,0|2,0,0]=4 13263 B13R0.1171 CCCCCNC(=O)N(C)CCOC 2708a_100000209983_100000743101 [0,2,0,0,0,0|2,0,0]=4 13264 B13R0.1171 CCCCCNC(=O)N(C)CCOC 273464a_100000209983_100000743101 [0,2,0,0,0,0|2,0,0]=4 13265 B13R0.1171 CCCCCNC(=O)N(C)CCSC 2708a_100000209983_100000686725 [0,2,0,0,0,0|2,0,0]=4 13266 B13R0.1171 CCCCCNC(=O)N(C)CCSC 273464a_100000209983_100000686725 [0,2,0,0,0,0|2,0,0]=4 13267 B13R0.1171 CCCCN(C)C(=O)CCCCCO 240690a_100000207549_100102619762 [0,2,0,0,0,0|1,0,0]=3 13268 B13R0.1171 CCCCN(C)C(=O)CCOCCO 1626a_100000207549_100011229844 [0,2,0,0,0,0|2,0,0]=4 13269 B13R0.1171 CCCCN(C)C(=O)CCOCCO 240690a_100000207549_100011229844 [0,2,0,0,0,0|2,0,0]=4 13270 B13R0.1171 CCCCN(C)C(=O)CNCCCF 2230a_100015189416_100000230175 [0,2,0,0,0,0|2,0,0]=4 13271 B13R0.1171 CCCCN(C)C(=O)CNCCCF 34a_100015189416_100000230175 [0,2,0,0,0,0|2,0,0]=4 13272 B13R0.1171 CCCCN(C)C(=O)CNCCOC 2230a_100000209980_100000230175 [0,2,0,0,0,0|2,0,0]=4 13273 B13R0.1171 CCCCN(C)C(=O)CNCCSC 2230a_100020590264_100000230175 [0,2,0,0,0,0|2,0,0]=4 13274 B13R0.1171 CCCCN(C)C(=O)COCCCBr 34a_100011217188_100000230175 [0,2,0,0,0,0|2,0,0]=4 13275 B13R0.1171 CCCCN(C)C(=O)COCCCCl 34a_100000230001_100000230175 [0,2,0,0,0,0|2,0,0]=4 13276 B13R0.1171 CCCCN(C)C(=O)COCCCF 34a_100000759539_100000230175 [0,2,0,0,0,0|2,0,0]=4 13277 B13R0.1171 CCCCN(C)C(=O)COCCCN 34a_100000182051_100000230175 [0,2,0,0,0,0|2,0,0]=4 13278 B13R0.1171 CCCCN(C)C(=O)COCCOC 11a_100000207549_100000211095 [0,2,0,0,0,0|2,0,0]=4 13279 B13R0.1171 CCCCN(C)C(=O)COCCOC 1626a_100000207549_100000211095 [0,2,0,0,0,0|2,0,0]=4 13280 B13R0.1171 CCCCN(C)C(=O)COCCOC 240690a_100000207549_100000211095 [0,2,0,0,0,0|2,0,0]=4 13281 B13R0.1171 CCCCN(C)C(=O)COCCOC 34a_100000210237_100000230175 [0,2,0,0,0,0|2,0,0]=4 13282 B13R0.1171 CCCCN(C)C(=O)COCCOC 527a_100000207549_100000211095 [0,2,0,0,0,0|2,0,0]=4 13283 B13R0.1171 CCCCN(C)C(=O)COCCSC 34a_100000230434_100000230175 [0,2,0,0,0,0|2,0,0]=4 13284 B13R0.1171 CCCCN(C)C(=O)COCCSC 7a_100000230434_100000230175 [0,2,0,0,0,0|2,0,0]=4 13285 B13R0.1171 CCCCN(C)C(=O)CSCCCF 62a_100000230175_100011934791 [0,2,0,0,0,0|2,0,0]=4 13286 B13R0.1171 CCCCN(C)C(=O)CSCCCF 62a_100011934791_100000230175 [0,2,0,0,0,0|2,0,0]=4 13287 B13R0.1171 CCCCN(C)C(=O)CSCCCO 62a_100000230175_100011215043 [0,2,0,0,0,0|2,0,0]=4 13288 B13R0.1171 CCCCN(C)C(=O)CSCCCO 62a_100011215043_100000230175 [0,2,0,0,0,0|2,0,0]=4 13289 B13R0.1171 CCCCN(C)C(=O)CSCCOC 62a_100000230175_100000233755 [0,2,0,0,0,0|2,0,0]=4 13290 B13R0.1171 CCCCN(C)C(=O)CSCCOC 62a_100000233755_100000230175 [0,2,0,0,0,0|2,0,0]=4 13291 B13R0.1171 CCCCN(C)C(=O)CSCCSC 62a_100000212216_100000230175 [0,2,0,0,0,0|2,0,0]=4 13292 B13R0.1171 CCCCN(C)C(=O)CSCCSC 62a_100000230175_100000751147 [0,2,0,0,0,0|2,0,0]=4 13293 B13R0.1171 CCCCN(C)C(=O)CSCOCC 62a_100000230175_100000739092 [0,2,0,0,0,0|2,0,0]=4 13294 B13R0.1171 CCCCN(C)C(=O)CSCOCC 62a_100000739092_100000230175 [0,2,0,0,0,0|2,0,0]=4 13295 B13R0.1171 CCCCN(C)C(=O)NCCCCO 2708a_100000750430_100000207549 [0,2,0,0,0,0|2,0,0]=4 13296 B13R0.1171 CCCCN(C)C(=O)NCCCCO 273464a_100000750430_100000207549 [0,2,0,0,0,0|2,0,0]=4 13297 B13R0.1171 CCCCN(C)C(=O)NCCCOC 2708a_100150723488_100000207549 [0,2,0,0,0,0|2,0,0]=4 13298 B13R0.1171 CCCCN(C)C(=O)NCCCOC 273464a_100150723488_100000207549 [0,2,0,0,0,0|2,0,0]=4 13299 B13R0.1171 CCCCN(C)C(=O)NCCCSC 2708a_100000749238_100000207549 [0,2,0,0,0,0|2,0,0]=4 13300 B13R0.1171 CCCCN(C)C(=O)NCCCSC 273464a_100000749238_100000207549 [0,2,0,0,0,0|2,0,0]=4 13301 B13R0.1171 CCCCN(C)C(=O)NCCOCC 2708a_100011200944_100000207549 [0,2,0,0,0,0|2,0,0]=4 13302 B13R0.1171 CCCCN(C)C(=O)NCCOCC 273464a_102516460346_100000207549 [0,2,0,0,0,0|2,0,0]=4 13303 B13R0.1171 CCCCN(C)C(=O)NCCSCC 2708a_100000106463_100000207549 [0,2,0,0,0,0|2,0,0]=4 13304 B13R0.1171 CCCCN(C)C(=O)NCCSCC 273464a_100000106463_100000207549 [0,2,0,0,0,0|2,0,0]=4 13305 B13R0.1171 CCCCNCC(=O)N(C)CCCC 2230a_100000102301_100000230175 [0,2,0,0,0,0|1,0,0]=3 13306 B13R0.1171 CCCCNCC(=O)N(C)CCCC 7a_106832991798_100000230175 [0,2,0,0,0,0|1,0,0]=3 13307 B13R0.1171 CCCCNNC(=O)C(C)CCCC 22a_100025702795_100000725509 [0,2,0,0,0,0|1,0,0]=3 13308 B13R0.1171 CCCCNNC(=O)C(O)CCCC 22a_100025702795_100000720857 [0,2,0,0,0,0|1,0,0]=3 13309 B13R0.1171 CCCCNNC(=O)C(O)CCSC 22a_100025702795_100000685904 [0,2,0,0,0,0|2,0,0]=4 13310 B13R0.1171 CCCCOCC(=O)C(=O)NCCC 1458a_200011297150_100011995733 [0,2,0,0,0,0|1,0,1]=4 13311 B13R0.1171 CCCCOCC(=O)C(C)CCCC 1458a_100000725509_100011995733 [0,2,0,0,0,0|0,0,0]=2 13312 B13R0.1171 CCCCOCC(=O)C(C)CCCC 1458a_100000757543_200011215066 [0,2,0,0,0,0|0,0,0]=2 13313 B13R0.1171 CCCCOCC(=O)C(O)CCCC 1458a_100000720857_100011995733 [0,2,0,0,0,0|0,0,0]=2 13314 B13R0.1171 CCCCOCC(=O)C(O)CCSC 1458a_100000685904_100011995733 [0,2,0,0,0,0|1,0,0]=3 13315 B13R0.1171 CCCCOCC(=O)N(C)CCCC 11a_100000207549_100000757543 [0,2,0,0,0,0|1,0,0]=3 13316 B13R0.1171 CCCCOCC(=O)N(C)CCCC 1626a_100000207549_100000757543 [0,2,0,0,0,0|1,0,0]=3 13317 B13R0.1171 CCCCOCC(=O)N(C)CCCC 240690a_100000207549_100000757543 [0,2,0,0,0,0|1,0,0]=3 13318 B13R0.1171 CCCCOCC(=O)N(C)CCCC 34a_100000210227_100000230175 [0,2,0,0,0,0|1,0,0]=3 13319 B13R0.1171 CCCCOCC(=O)N(C)CCCC 527a_100000207549_100000757543 [0,2,0,0,0,0|1,0,0]=3 13320 B13R0.1171 CCCCOCC(=O)N(C)CCCC 7a_100000210227_100000230175 [0,2,0,0,0,0|1,0,0]=3 13321 B13R0.1171 CCCCOCC(=O)N(C)CCCO 240690a_100000213112_100000757543 [0,2,0,0,0,0|2,0,0]=4 13322 B13R0.1171 CCCCOCC(=O)N(C)CCCO 527a_100000213112_100000757543 [0,2,0,0,0,0|2,0,0]=4 13323 B13R0.1171 CCCCOCC(=O)N(C)CCOC 11a_100000743101_100000757543 [0,2,0,0,0,0|2,0,0]=4 13324 B13R0.1171 CCCCOCC(=O)N(C)CCOC 1626a_100000743101_100000757543 [0,2,0,0,0,0|2,0,0]=4 13325 B13R0.1171 CCCCOCC(=O)N(C)CCOC 240690a_100000743101_100000757543 [0,2,0,0,0,0|2,0,0]=4 13326 B13R0.1171 CCCCOCC(=O)N(C)CCOC 527a_100000743101_100000757543 [0,2,0,0,0,0|2,0,0]=4 13327 B13R0.1171 CCCCOCC(=O)N(C)CCSC 11a_100000686725_100000757543 [0,2,0,0,0,0|2,0,0]=4 13328 B13R0.1171 CCCCOCC(=O)N(C)CCSC 1626a_100000686725_100000757543 [0,2,0,0,0,0|2,0,0]=4 13329 B13R0.1171 CCCCOCC(=O)N(C)CCSC 240690a_100000686725_100000757543 [0,2,0,0,0,0|2,0,0]=4 13330 B13R0.1171 CCCCOCC(=O)N(C)CCSC 527a_100000686725_100000757543 [0,2,0,0,0,0|2,0,0]=4 13331 B13R0.1171 CCCCSCC(=O)C(C)CCCC 1458a_100000191162_200011215066 [0,2,0,0,0,0|0,1,0]=3 13332 B13R0.1171 CCCCSCC(=O)N(C)CCCC 11a_100000207549_100000191162 [0,2,0,0,0,0|1,0,0]=3 13333 B13R0.1171 CCCCSCC(=O)N(C)CCCC 1626a_100000207549_100000191162 [0,2,0,0,0,0|1,0,0]=3 13334 B13R0.1171 CCCCSCC(=O)N(C)CCCC 240690a_100000207549_100000191162 [0,2,0,0,0,0|1,0,0]=3 13335 B13R0.1171 CCCCSCC(=O)N(C)CCCC 527a_100000207549_100000191162 [0,2,0,0,0,0|1,0,0]=3 13336 B13R0.1171 CCCCSCC(=O)N(C)CCCC 62a_100000210211_100000230175 [0,2,0,0,0,0|1,0,0]=3 13337 B13R0.1171 CCCCSCC(=O)N(C)CCCC 62a_100000230175_100000210210 [0,2,0,0,0,0|1,0,0]=3 13338 B13R0.1171 CCCCSCC(=O)N(C)CCCO 240690a_100000213112_100000191162 [0,2,0,0,0,0|2,0,0]=4 13339 B13R0.1171 CCCCSCC(=O)N(C)CCCO 527a_100000213112_100000191162 [0,2,0,0,0,0|2,0,0]=4 13340 B13R0.1171 CCCCSCC(=O)N(C)CCOC 11a_100000743101_100000191162 [0,2,0,0,0,0|2,0,0]=4 13341 B13R0.1171 CCCCSCC(=O)N(C)CCOC 1626a_100000743101_100000191162 [0,2,0,0,0,0|2,0,0]=4 13342 B13R0.1171 CCCCSCC(=O)N(C)CCOC 240690a_100000743101_100000191162 [0,2,0,0,0,0|2,0,0]=4 13343 B13R0.1171 CCCCSCC(=O)N(C)CCOC 527a_100000743101_100000191162 [0,2,0,0,0,0|2,0,0]=4 13344 B13R0.1171 CCCCSCC(=O)N(C)CCSC 11a_100000686725_100000191162 [0,2,0,0,0,0|2,0,0]=4 13345 B13R0.1171 CCCCSCC(=O)N(C)CCSC 1626a_100000686725_100000191162 [0,2,0,0,0,0|2,0,0]=4 13346 B13R0.1171 CCCCSCC(=O)N(C)CCSC 240690a_100000686725_100000191162 [0,2,0,0,0,0|2,0,0]=4 13347 B13R0.1171 CCCCSCC(=O)N(C)CCSC 527a_100000686725_100000191162 [0,2,0,0,0,0|2,0,0]=4 13348 B13R0.1171 CCCNC(=O)C(=O)CCCCCF 1458a_200011297150_100000729378 [0,2,0,0,0,0|2,0,0]=4 13349 B13R0.1171 CCCNC(=O)C(=O)CCCCCO 1458a_200011297150_100000746330 [0,2,0,0,0,0|2,0,0]=4 13350 B13R0.1171 CCCNC(=O)C(=O)CCCCOC 1458a_200011297150_100000755781 [0,2,0,0,0,0|2,0,0]=4 13351 B13R0.1171 CCCNC(=O)C(=O)CCCOCC 1458a_200011297150_100012232248 [0,2,0,0,0,0|2,0,0]=4 13352 B13R0.1171 CCCNC(=O)C(=O)CCOCCC 1458a_200011297150_100011215938 [0,2,0,0,0,0|2,0,0]=4 13353 B13R0.1171 CCCOCCC(=O)C(O)CCSC 1458a_100000685904_100011215938 [0,2,0,0,0,0|2,0,0]=4 13354 B13R0.1171 CCCSC(C)C(=O)NCCCOC 62a_100000210303_100000735919 [0,2,0,0,0,0|2,0,0]=4 13355 B13R0.1171 CCCSC(C)C(=O)NCCCOC 62a_100000735919_100000210303 [0,2,0,0,0,0|2,0,0]=4 13356 B13R0.1171 CCOCCCC(=O)C(O)CCSC 1458a_100000685904_100012232248 [0,2,0,0,0,0|2,0,0]=4 13357 B13R0.1171 CCOCCNC(=O)C(O)CCSC 240690a_100011200944_100000685904 [0,2,0,0,0,0|2,0,0]=4 13358 B13R0.1171 CCSCCNC(=O)C(O)CCSC 240690a_100000106463_100000685904 [0,2,0,0,0,0|2,0,0]=4 13359 B13R0.1171 CN(CCCO)C(=O)CCCCCO 240690a_100000213112_100102619762 [0,2,0,0,0,0|2,0,0]=4 13360 B13R0.1171 COCCCCC(=O)C(O)CCSC 1458a_100000685904_100000755781 [0,2,0,0,0,0|2,0,0]=4 13361 B13R0.1171 COCCCNC(=O)C(O)CCSC 240690a_100150723488_100000685904 [0,2,0,0,0,0|2,0,0]=4 13362 B13R0.1171 COCCN(C)C(=O)CCCCCO 240690a_100000743101_100102619762 [0,2,0,0,0,0|2,0,0]=4 13363 B13R0.1171 CSCCC(O)C(=O)CCCCCF 1458a_100000685904_100000729378 [0,2,0,0,0,0|2,0,0]=4 13364 B13R0.1171 CSCCC(O)C(=O)CCCCCO 1458a_100000685904_100000746330 [0,2,0,0,0,0|2,0,0]=4 13365 B13R0.1171 CSCCC(O)C(=O)NCCCCO 240690a_100000750430_100000685904 [0,2,0,0,0,0|2,0,0]=4 13366 B13R0.1171 CSCCCNC(=O)C(O)CCSC 240690a_100000749238_100000685904 [0,2,0,0,0,0|2,0,0]=4 13367 B13R0.1171 CSCCN(C)C(=O)CCCCCO 240690a_100000686725_100102619762 [0,2,0,0,0,0|2,0,0]=4 13368 B13R0.153 C#CC(CCCCC)OCCC(C)C 34a_100011216489_100000210312 [0,2,0,0,0,0|1,0,1]=4 13369 B13R0.153 C#CC(CCCCC)OCCC(C)C 7a_100011216489_100000210626 [0,2,0,0,0,0|1,0,1]=4 13370 B13R0.153 C#CC(CCCCC)OCCC(C)O 34a_100011216489_100012276601 [0,2,0,0,0,0|1,0,1]=4 13371 B13R0.153 C#CC(CCCCC)OCCC(C)O 7a_100011216489_100012276601 [0,2,0,0,0,0|1,0,1]=4 13372 B13R0.153 C=CC(CCCCC)OCCC(C)C 34a_100011216863_100000210312 [0,2,0,0,0,0|1,0,1]=4 13373 B13R0.153 C=CC(CCCCC)OCCC(C)C 7a_100011216863_100000210626 [0,2,0,0,0,0|1,0,1]=4 13374 B13R0.153 C=CC(CCCCC)OCCC(C)O 34a_100011216863_100012276601 [0,2,0,0,0,0|1,0,1]=4 13375 B13R0.153 C=CC(CCCCC)OCCC(C)O 7a_100011216863_100012276601 [0,2,0,0,0,0|1,0,1]=4 13376 B13R0.153 CCCCCC(CC)OCCC(C)C 34a_100011215405_100000210312 [0,2,0,0,0,0|1,0,1]=4 13377 B13R0.153 CCCCCC(CC)OCCC(C)C 7a_100011215405_100000210626 [0,2,0,0,0,0|1,0,1]=4 13378 B13R0.153 CCCCCC(CC)OCCC(C)O 34a_100011215405_100012276601 [0,2,0,0,0,0|1,0,1]=4 13379 B13R0.153 CCCCCC(CC)OCCC(C)O 7a_100011215405_100012276601 [0,2,0,0,0,0|1,0,1]=4 13380 B13R0.800 CCCCCC(CCCCC)C(=O)C 1458a_100009990348_200000210301 [0,2,0,0,0,0|1,0,1]=4 13381 B13R0.800 CCCCCC(CCCCC)C(=O)[13CH3] 1458a_100009990348_200025704644 [0,2,0,0,0,0|1,0,1]=4 13382 B13R0.800 CCCCCC(OCCCC)C(C)C 34a_200011216997_100000210210 [0,2,0,0,0,0|1,0,1]=4 13383 B13R0.800 CCCCCC(OCCCC)C(C)C 7a_200011216997_100000210211 [0,2,0,0,0,0|1,0,1]=4 13384 B13R0.800 CCCCCN(CCCCC)C(=O)C 11a_100000210580_100015343762 [0,2,0,0,0,0|2,0,0]=4 13385 B13R0.800 CCCCCN(CCCCC)C(=O)C 1626a_100000210580_100015343762 [0,2,0,0,0,0|2,0,0]=4 13386 B13R0.800 CCCCCN(CCCCC)C(=O)C 240690a_100000210580_100015343762 [0,2,0,0,0,0|2,0,0]=4 13387 B13R0.800 CCCCCN(CCCCC)C(=O)C 527a_100000210580_100103153847 [0,2,0,0,0,0|2,0,0]=4 13388 B13R0.1051 C#CC(CCCCC)OC(C)CCC 34a_100011216489_100000766640 [0,2,0,0,0,0|1,0,1]=4 13389 B13R0.1051 C#CC(CCCCC)OC(C)CCC 7a_100011216489_100000766640 [0,2,0,0,0,0|1,0,1]=4 13390 B13R0.1051 C=CC(CCCCC)OC(C)CCC 34a_100011216863_100000766640 [0,2,0,0,0,0|1,0,1]=4 13391 B13R0.1051 C=CC(CCCCC)OC(C)CCC 7a_100011216863_100000766640 [0,2,0,0,0,0|1,0,1]=4 13392 B13R0.1051 CCCCCC(CC)OC(C)CCC 34a_100011215405_100000766640 [0,2,0,0,0,0|1,0,1]=4 13393 B13R0.1051 CCCCCC(CC)OC(C)CCC 7a_100011215405_100000766640 [0,2,0,0,0,0|1,0,1]=4 13394 B13R0.1052 C#CC(CCCCC)OCC(C)CC 34a_100011216489_100000748023 [0,2,0,0,0,0|1,0,1]=4 13395 B13R0.1052 C#CC(CCCCC)OCC(C)CC 7a_100011216489_100000748023 [0,2,0,0,0,0|1,0,1]=4 13396 B13R0.1052 C#CC(CCCCC)OCC(O)CC 34a_100011216489_100011218378 [0,2,0,0,0,0|1,0,1]=4 13397 B13R0.1052 C#CC(CCCCC)OCC(O)CC 7a_100011216489_100011218378 [0,2,0,0,0,0|1,0,1]=4 13398 B13R0.1052 C#CC(CCCCC)OC[C@@H](C)CC 34a_100011216489_100009816398 [0,2,0,0,0,0|1,0,1]=4 13399 B13R0.1052 C#CC(CCCCC)OC[C@@H](C)CC 7a_100011216489_100009816398 [0,2,0,0,0,0|1,0,1]=4 13400 B13R0.1052 C=CC(CCCCC)OCC(C)CC 34a_100011216863_100000748023 [0,2,0,0,0,0|1,0,1]=4 13401 B13R0.1052 C=CC(CCCCC)OCC(C)CC 7a_100011216863_100000748023 [0,2,0,0,0,0|1,0,1]=4 13402 B13R0.1052 C=CC(CCCCC)OCC(O)CC 34a_100011216863_100011218378 [0,2,0,0,0,0|1,0,1]=4 13403 B13R0.1052 C=CC(CCCCC)OCC(O)CC 7a_100011216863_100011218378 [0,2,0,0,0,0|1,0,1]=4 13404 B13R0.1052 C=CC(CCCCC)OC[C@@H](C)CC 34a_100011216863_100009816398 [0,2,0,0,0,0|1,0,1]=4 13405 B13R0.1052 C=CC(CCCCC)OC[C@@H](C)CC 7a_100011216863_100009816398 [0,2,0,0,0,0|1,0,1]=4 13406 B13R0.1052 CCCCCC(CC)OCC(C)CC 34a_100011215405_100000748023 [0,2,0,0,0,0|1,0,1]=4 13407 B13R0.1052 CCCCCC(CC)OCC(C)CC 7a_100011215405_100000748023 [0,2,0,0,0,0|1,0,1]=4 13408 B13R0.1052 CCCCCC(CC)OCC(O)CC 34a_100011215405_100011218378 [0,2,0,0,0,0|1,0,1]=4 13409 B13R0.1052 CCCCCC(CC)OCC(O)CC 7a_100011215405_100011218378 [0,2,0,0,0,0|1,0,1]=4 13410 B13R0.1052 CCCCCC(CC)OC[C@@H](C)CC 34a_100011215405_100009816398 [0,2,0,0,0,0|1,0,1]=4 13411 B13R0.1052 CCCCCC(CC)OC[C@@H](C)CC 7a_100011215405_100009816398 [0,2,0,0,0,0|1,0,1]=4 13412 B13R0.1251 C=CCC(CCCCC)OCCCC 34a_200011216309_100000210210 [0,2,0,0,0,0|1,0,1]=4 13413 B13R0.1251 C=CCC(CCCCC)OCCCC 7a_200011216309_100000210211 [0,2,0,0,0,0|1,0,1]=4 13414 B13R0.1251 CCCCCC(CCC)OCCCC 34a_200011215058_100000210210 [0,2,0,0,0,0|1,0,1]=4 13415 B13R0.1251 CCCCCC(CCC)OCCCC 7a_200011215058_100000210211 [0,2,0,0,0,0|1,0,1]=4 13416 B13R0.1251 CCCCCN(CC=O)CCCCC 2230a_100000210580_200015260668 [0,2,0,0,0,0|2,0,0]=4 13417 B13R0.1251 CCCCCN(CC=O)CCCCC 269982a_100000210580_200015260668 [0,2,0,0,0,0|2,0,0]=4 13418 B13R0.40 CCC(C)CCC(=O)N(C)CCCO 240690a_100000213112_100000701222 [0,2,0,0,0,0|2,0,0]=4 13419 B13R0.40 CCC(C)CCC(=O)N(C)CCCO 527a_100000213112_100000701222 [0,2,0,0,0,0|2,0,0]=4 13420 B13R0.40 CCC(C)CCC(=O)N(C)CCOC 11a_100000743101_100000701222 [0,2,0,0,0,0|2,0,0]=4 13421 B13R0.40 CCC(C)CCC(=O)N(C)CCOC 1626a_100000743101_100000701222 [0,2,0,0,0,0|2,0,0]=4 13422 B13R0.40 CCC(C)CCC(=O)N(C)CCOC 240690a_100000743101_100000701222 [0,2,0,0,0,0|2,0,0]=4 13423 B13R0.40 CCC(C)CCC(=O)N(C)CCOC 527a_100000743101_100000701222 [0,2,0,0,0,0|2,0,0]=4 13424 B13R0.40 CCC(C)CCC(=O)N(C)CCSC 11a_100000686725_100000701222 [0,2,0,0,0,0|2,0,0]=4 13425 B13R0.40 CCC(C)CCC(=O)N(C)CCSC 1626a_100000686725_100000701222 [0,2,0,0,0,0|2,0,0]=4 13426 B13R0.40 CCC(C)CCC(=O)N(C)CCSC 240690a_100000686725_100000701222 [0,2,0,0,0,0|2,0,0]=4 13427 B13R0.40 CCC(C)CCC(=O)N(C)CCSC 527a_100000686725_100000701222 [0,2,0,0,0,0|2,0,0]=4 13428 B13R0.40 CCC(C)CNC(=O)C(O)CCSC 240690a_100020588543_100000685904 [0,2,0,0,0,0|2,0,0]=4 13429 B13R0.40 CCC(O)CCC(=O)N(C)CCCO 240690a_100000213112_203496584001 [0,2,0,0,0,0|2,0,0]=4 13430 B13R0.40 CCC(O)CCC(=O)N(C)CCOC 1626a_100000743101_203496584001 [0,2,0,0,0,0|2,0,0]=4 13431 B13R0.40 CCC(O)CCC(=O)N(C)CCOC 240690a_100000743101_203496584001 [0,2,0,0,0,0|2,0,0]=4 13432 B13R0.40 CCC(O)CCC(=O)N(C)CCSC 1626a_100000686725_203496584001 [0,2,0,0,0,0|2,0,0]=4 13433 B13R0.40 CCC(O)CCC(=O)N(C)CCSC 240690a_100000686725_203496584001 [0,2,0,0,0,0|2,0,0]=4 13434 B13R0.40 CCC(O)CNC(=O)C(O)CCSC 240690a_100011218483_100000685904 [0,2,0,0,0,0|2,0,0]=4 13435 B13R0.40 CCCCC(C)C(=O)CCC(C)CC 1458a_100000701222_200011215066 [0,2,0,0,0,0|1,0,0]=3 13436 B13R0.40 CCCCC(C)C(=O)CCN(C)CC 1458a_100000755305_200011215066 [0,2,0,0,0,0|2,0,0]=4 13437 B13R0.40 CCCCC(C)C(=O)CCS(=O)CC 1458a_100011387550_200011215066 [0,2,0,0,0,0|2,0,0]=4 13438 B13R0.40 CCCCC(C)C(=O)NCC(C)CC 11a_100020588543_100000725509 [0,2,0,0,0,0|1,0,0]=3 13439 B13R0.40 CCCCC(C)C(=O)NCC(C)CC 1626a_100020588543_100000725509 [0,2,0,0,0,0|1,0,0]=3 13440 B13R0.40 CCCCC(C)C(=O)NCC(C)CC 240690a_100020588543_100000725509 [0,2,0,0,0,0|1,0,0]=3 13441 B13R0.40 CCCCC(C)C(=O)NCC(C)CC 527a_100020588543_100000725509 [0,2,0,0,0,0|1,0,0]=3 13442 B13R0.40 CCCCC(C)C(=O)NCC(C)CO 240690a_100000744482_100000725509 [0,2,0,0,0,0|2,0,0]=4 13443 B13R0.40 CCCCC(C)C(=O)NCC(C)CO 527a_100000744482_100000725509 [0,2,0,0,0,0|2,0,0]=4 13444 B13R0.40 CCCCC(C)C(=O)NCC(O)CC 11a_100011218483_100000725509 [0,2,0,0,0,0|1,0,0]=3 13445 B13R0.40 CCCCC(C)C(=O)NCC(O)CC 240690a_100011218483_100000725509 [0,2,0,0,0,0|1,0,0]=3 13446 B13R0.40 CCCCC(C)C(=O)NCC(O)CC 527a_100011218483_100000725509 [0,2,0,0,0,0|1,0,0]=3 13447 B13R0.40 CCCCC(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100000725509 [0,2,0,0,0,0|2,0,0]=4 13448 B13R0.40 CCCCC(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000725509 [0,2,0,0,0,0|2,0,0]=4 13449 B13R0.40 CCCCC(C)C(=O)NC[C@@H](C)OC 240690a_100020591295_100000725509 [0,2,0,0,0,0|2,0,0]=4 13450 B13R0.40 CCCCC(C)C(=O)NC[C@@H](C)OC 527a_100020591295_100000725509 [0,2,0,0,0,0|2,0,0]=4 13451 B13R0.40 CCCCC(C)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000725509 [0,2,0,0,0,0|2,0,0]=4 13452 B13R0.40 CCCCC(C)C(=O)NC[C@@H](F)CO 527a_100015665980_100000725509 [0,2,0,0,0,0|2,0,0]=4 13453 B13R0.40 CCCCC(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100000725509 [0,2,0,0,0,0|2,0,0]=4 13454 B13R0.40 CCCCC(C)C(=O)NC[C@H](O)CO 527a_100020644852_100000725509 [0,2,0,0,0,0|2,0,0]=4 13455 B13R0.40 CCCCC(C)C(=O)NNC(C)CC 22a_100000718999_100000725509 [0,2,0,0,0,0|2,0,0]=4 13456 B13R0.40 CCCCC(O)C(=O)NCC(C)CC 240690a_100020588543_100000720857 [0,2,0,0,0,0|1,0,0]=3 13457 B13R0.40 CCCCC(O)C(=O)NCC(C)CC 527a_100020588543_100000720857 [0,2,0,0,0,0|1,0,0]=3 13458 B13R0.40 CCCCC(O)C(=O)NCC(C)CO 240690a_100000744482_100000720857 [0,2,0,0,0,0|2,0,0]=4 13459 B13R0.40 CCCCC(O)C(=O)NCC(C)CO 527a_100000744482_100000720857 [0,2,0,0,0,0|2,0,0]=4 13460 B13R0.40 CCCCC(O)C(=O)NCC(O)CC 240690a_100011218483_100000720857 [0,2,0,0,0,0|1,0,0]=3 13461 B13R0.40 CCCCC(O)C(=O)NCC(O)CC 527a_100011218483_100000720857 [0,2,0,0,0,0|1,0,0]=3 13462 B13R0.40 CCCCC(O)C(=O)NC[C@@H](C)OC 240690a_100020591295_100000720857 [0,2,0,0,0,0|2,0,0]=4 13463 B13R0.40 CCCCC(O)C(=O)NC[C@@H](C)OC 527a_100020591295_100000720857 [0,2,0,0,0,0|2,0,0]=4 13464 B13R0.40 CCCCC(O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000720857 [0,2,0,0,0,0|2,0,0]=4 13465 B13R0.40 CCCCC(O)C(=O)NC[C@@H](F)CO 527a_100015665980_100000720857 [0,2,0,0,0,0|2,0,0]=4 13466 B13R0.40 CCCCC(O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000720857 [0,2,0,0,0,0|2,0,0]=4 13467 B13R0.40 CCCCC(O)C(=O)NC[C@H](O)CO 527a_100020644852_100000720857 [0,2,0,0,0,0|2,0,0]=4 13468 B13R0.40 CCCCC(O)C(=O)NNC(C)CC 22a_100000718999_100000720857 [0,2,0,0,0,0|2,0,0]=4 13469 B13R0.40 CCCCN(C)C(=O)CCC(C)CC 11a_100000207549_100000701222 [0,2,0,0,0,0|1,0,0]=3 13470 B13R0.40 CCCCN(C)C(=O)CCC(C)CC 1626a_100000207549_100000701222 [0,2,0,0,0,0|1,0,0]=3 13471 B13R0.40 CCCCN(C)C(=O)CCC(C)CC 240690a_100000207549_100000701222 [0,2,0,0,0,0|1,0,0]=3 13472 B13R0.40 CCCCN(C)C(=O)CCC(C)CC 527a_100000207549_100000701222 [0,2,0,0,0,0|1,0,0]=3 13473 B13R0.40 CCCCN(C)C(=O)CCC(O)CC 1626a_100000207549_203496584001 [0,2,0,0,0,0|1,0,0]=3 13474 B13R0.40 CCCCN(C)C(=O)CCC(O)CC 240690a_100000207549_203496584001 [0,2,0,0,0,0|1,0,0]=3 13475 B13R0.40 CCCCN(C)C(=O)CCN(C)CC 240690a_100000207549_100000755305 [0,2,0,0,0,0|2,0,0]=4 13476 B13R0.40 CCCCN(C)C(=O)CCS(=O)CC 11a_100000207549_100011387550 [0,2,0,0,0,0|2,0,0]=4 13477 B13R0.40 CCCCN(C)C(=O)CCS(=O)CC 1626a_100000207549_100011387550 [0,2,0,0,0,0|2,0,0]=4 13478 B13R0.40 CCCCN(C)C(=O)CCS(=O)CC 240690a_100000207549_100011387550 [0,2,0,0,0,0|2,0,0]=4 13479 B13R0.40 CCCCN(C)C(=O)CCS(=O)CC 527a_100000207549_100011387550 [0,2,0,0,0,0|2,0,0]=4 13480 B13R0.40 CCCCN(C)C(=O)CNC(C)CC 2230a_100000209981_100000230175 [0,2,0,0,0,0|2,0,0]=4 13481 B13R0.40 CCCCN(C)C(=O)COC(C)CC 7a_100000210228_100000230175 [0,2,0,0,0,0|2,0,0]=4 13482 B13R0.40 CCCCN(C)C(=O)CSC(C)CC 62a_100000230175_100000758301 [0,2,0,0,0,0|2,0,0]=4 13483 B13R0.40 CCCCN(C)C(=O)CSC(C)CC 62a_100000758301_100000230175 [0,2,0,0,0,0|2,0,0]=4 13484 B13R0.40 CCCCN(C)C(=O)NCC(C)CC 2708a_100020588543_100000207549 [0,2,0,0,0,0|2,0,0]=4 13485 B13R0.40 CCCCN(C)C(=O)NCC(C)CC 273464a_100020588543_100000207549 [0,2,0,0,0,0|2,0,0]=4 13486 B13R0.40 CCCCN(C)C(=O)NCC(O)CC 273464a_100011218483_100000207549 [0,2,0,0,0,0|2,0,0]=4 13487 B13R0.151 CCC(C)CN(C)C(=O)CCCCO 1626a_100000753921_100000695505 [0,2,0,0,0,0|2,0,0]=4 13488 B13R0.151 CCC(C)CN(C)C(=O)CCCOC 11a_100000753921_100000741012 [0,2,0,0,0,0|2,0,0]=4 13489 B13R0.151 CCC(C)CN(C)C(=O)CCCOC 1626a_100000753921_100000741012 [0,2,0,0,0,0|2,0,0]=4 13490 B13R0.151 CCC(C)CN(C)C(=O)CCCOC 240690a_100000753921_100000741012 [0,2,0,0,0,0|2,0,0]=4 13491 B13R0.151 CCC(C)CN(C)C(=O)CCCOC 527a_100000753921_100000741012 [0,2,0,0,0,0|2,0,0]=4 13492 B13R0.151 CCC(C)CN(C)C(=O)CCCSC 11a_100000753921_100000173376 [0,2,0,0,0,0|2,0,0]=4 13493 B13R0.151 CCC(C)CN(C)C(=O)CCCSC 1626a_100000753921_100000173376 [0,2,0,0,0,0|2,0,0]=4 13494 B13R0.151 CCC(C)CN(C)C(=O)CCCSC 240690a_100000753921_100000173376 [0,2,0,0,0,0|2,0,0]=4 13495 B13R0.151 CCC(C)CN(C)C(=O)CCCSC 527a_100000753921_100000173376 [0,2,0,0,0,0|2,0,0]=4 13496 B13R0.151 CCCCCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210326 [0,2,0,0,0,0|2,0,0]=4 13497 B13R0.151 CCCCCC(=O)C(C)CN(C)CC 1458a_200015185930_100000210326 [0,2,0,0,0,0|2,0,0]=4 13498 B13R0.151 CCCCCC(=O)N(C)CC(C)CC 11a_100000753921_100000212188 [0,2,0,0,0,0|1,0,0]=3 13499 B13R0.151 CCCCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000212188 [0,2,0,0,0,0|1,0,0]=3 13500 B13R0.151 CCCCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000212188 [0,2,0,0,0,0|1,0,0]=3 13501 B13R0.151 CCCCCC(=O)N(C)CC(C)CC 527a_100000753921_100000212188 [0,2,0,0,0,0|1,0,0]=3 13502 B13R0.151 CCCCCC(=O)N(C)CC(O)CO 240690a_100011216503_100000212188 [0,2,0,0,0,0|2,0,0]=4 13503 B13R0.151 CCCCCC(=O)N(C)CC(O)CO 527a_100011216503_100000212188 [0,2,0,0,0,0|2,0,0]=4 13504 B13R0.151 CCCCNC(=O)C(C)CN(C)CC 11a_100000102301_200015185930 [0,2,0,0,0,0|2,0,0]=4 13505 B13R0.151 CCCCNC(=O)C(C)CN(C)CC 1626a_100000102301_200015185930 [0,2,0,0,0,0|2,0,0]=4 13506 B13R0.151 CCCCNC(=O)C(C)CN(C)CC 240690a_100000102301_200015185930 [0,2,0,0,0,0|2,0,0]=4 13507 B13R0.151 CCCCNC(=O)C(C)NC(C)CC 2230a_100000209981_100000735917 [0,2,0,0,0,0|2,0,0]=4 13508 B13R0.151 CCCCNC(=O)C(C)OC(C)CC 7a_100000210228_100000735917 [0,2,0,0,0,0|2,0,0]=4 13509 B13R0.151 CCCCNC(=O)C(C)SC(C)CC 62a_100000735917_100000758301 [0,2,0,0,0,0|2,0,0]=4 13510 B13R0.151 CCCCNC(=O)C(C)SC(C)CC 62a_100000758301_100000735917 [0,2,0,0,0,0|2,0,0]=4 13511 B13R0.151 CCCCNC(=O)N(C)CC(C)CC 2708a_100000102301_100000753921 [0,2,0,0,0,0|2,0,0]=4 13512 B13R0.151 CCCCNC(=O)N(C)CC(C)CC 273464a_100000102301_100000753921 [0,2,0,0,0,0|2,0,0]=4 13513 B13R0.151 CCCCOC(=O)C(C)NC(C)CC 2230a_100000209981_100000759602 [0,2,0,0,0,0|1,0,0]=3 13514 B13R0.151 CCCCOC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000759602 [0,2,0,0,0,0|2,0,0]=4 13515 B13R0.151 CCCCOC(=O)C(C)OC(C)CC 34a_100000038973_100011215416 [0,2,0,0,0,0|1,0,0]=3 13516 B13R0.151 CCCCOC(=O)C(C)OC(C)CC 7a_100000038973_100000758301 [0,2,0,0,0,0|1,0,0]=3 13517 B13R0.151 CCCCOC(=O)C(C)OC(C)CC 7a_100000210228_100000759602 [0,2,0,0,0,0|1,0,0]=3 13518 B13R0.151 CCCCOC(=O)C(C)OC(C)CF 34a_100016041109_100000759602 [0,2,0,0,0,0|2,0,0]=4 13519 B13R0.151 CCCCOC(=O)C(C)OC(C)CF 7a_100016041109_100000759602 [0,2,0,0,0,0|2,0,0]=4 13520 B13R0.151 CCCCOC(=O)C(C)OC(C)CN 34a_100000210904_100000759602 [0,2,0,0,0,0|2,0,0]=4 13521 B13R0.151 CCCCOC(=O)C(C)OC(C)CO 34a_100000038973_100012180447 [0,2,0,0,0,0|2,0,0]=4 13522 B13R0.151 CCCCOC(=O)C(C)OC(C)CO 7a_100000038973_100012180447 [0,2,0,0,0,0|2,0,0]=4 13523 B13R0.151 CCCCOC(=O)C(C)SC(C)CC 62a_100000758301_100000759602 [0,2,0,0,0,0|1,0,0]=3 13524 B13R0.151 CCCCOC(=O)C(C)SC(C)CC 62a_100000759602_100000758301 [0,2,0,0,0,0|1,0,0]=3 13525 B13R0.151 CCCCOC(=O)C(C)SC(C)CO 62a_100012180447_100000759602 [0,2,0,0,0,0|2,0,0]=4 13526 B13R0.151 CCCCOC(=O)C(C)SC(C)OC 62a_100000759602_100009879195 [0,2,0,0,0,0|2,0,0]=4 13527 B13R0.151 CCCCOC(=O)C(C)SC(C)OC 62a_100009879195_100000759602 [0,2,0,0,0,0|2,0,0]=4 13528 B13R0.151 CCCCOC(=O)C(C)S[C@H](C)CO 62a_100000759602_100016084084 [0,2,0,0,0,0|2,0,0]=4 13529 B13R0.151 CCCCOC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000759602 [0,2,0,0,0,0|2,0,0]=4 13530 B13R0.151 CCCOCC(=O)N(C)CC(C)CC 11a_100000753921_100000745993 [0,2,0,0,0,0|2,0,0]=4 13531 B13R0.151 CCCOCC(=O)N(C)CC(C)CC 1626a_100000753921_100000745993 [0,2,0,0,0,0|2,0,0]=4 13532 B13R0.151 CCCOCC(=O)N(C)CC(C)CC 240690a_100000753921_100000745993 [0,2,0,0,0,0|2,0,0]=4 13533 B13R0.151 CCCOCC(=O)N(C)CC(C)CC 527a_100000753921_100000745993 [0,2,0,0,0,0|2,0,0]=4 13534 B13R0.151 CCCSCC(=O)N(C)CC(C)CC 11a_100000753921_100000217233 [0,2,0,0,0,0|2,0,0]=4 13535 B13R0.151 CCCSCC(=O)N(C)CC(C)CC 1626a_100000753921_100000217233 [0,2,0,0,0,0|2,0,0]=4 13536 B13R0.151 CCCSCC(=O)N(C)CC(C)CC 240690a_100000753921_100000217233 [0,2,0,0,0,0|2,0,0]=4 13537 B13R0.151 CCCSCC(=O)N(C)CC(C)CC 527a_100000753921_100000217233 [0,2,0,0,0,0|2,0,0]=4 13538 B13R0.151 CCOCCC(=O)N(C)CC(C)CC 11a_100000753921_100000749530 [0,2,0,0,0,0|2,0,0]=4 13539 B13R0.151 CCOCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000749530 [0,2,0,0,0,0|2,0,0]=4 13540 B13R0.151 CCOCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000749530 [0,2,0,0,0,0|2,0,0]=4 13541 B13R0.151 CCOCCC(=O)N(C)CC(C)CC 527a_100000753921_100000749530 [0,2,0,0,0,0|2,0,0]=4 13542 B13R0.151 CCSCCC(=O)N(C)CC(C)CC 11a_100000753921_100000230768 [0,2,0,0,0,0|2,0,0]=4 13543 B13R0.151 CCSCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000230768 [0,2,0,0,0,0|2,0,0]=4 13544 B13R0.151 CCSCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000230768 [0,2,0,0,0,0|2,0,0]=4 13545 B13R0.151 CCSCCC(=O)N(C)CC(C)CC 527a_100000753921_100000230768 [0,2,0,0,0,0|2,0,0]=4 13546 B13R0.339 CCCCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210326 [0,2,0,0,0,0|2,0,0]=4 13547 B13R0.339 CCCCCC(=O)CNC(C)C(C)C 2230a_100000211541_200012276598 [0,2,0,0,0,0|2,0,0]=4 13548 B13R0.339 CCCCCC(=O)COC(C)C(C)C 7a_100000748068_200012276598 [0,2,0,0,0,0|2,0,0]=4 13549 B13R0.339 CCCCCC(=O)NCC(O)C(C)C 11a_100000759067_100000212188 [0,2,0,0,0,0|1,0,0]=3 13550 B13R0.339 CCCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000212188 [0,2,0,0,0,0|1,0,0]=3 13551 B13R0.339 CCCCCC(=O)NCC(O)C(C)C 527a_100000759067_100000212188 [0,2,0,0,0,0|1,0,0]=3 13552 B13R0.339 CCCCCC(C)OC[C@H](N)C(C)C 34a_100011830312_200011218191 [0,2,0,0,0,0|1,0,1]=4 13553 B13R0.339 CCCCNC(=O)CCN(C)C(C)C 1626a_100000102301_100015184040 [0,2,0,0,0,0|2,0,0]=4 13554 B13R0.339 CCCCNC(=O)CCN(C)C(C)C 240690a_100000102301_100015184040 [0,2,0,0,0,0|2,0,0]=4 13555 B13R0.339 CCCCNC(=O)CNC(C)C(C)C 2230a_100000211541_100000182744 [0,2,0,0,0,0|2,0,0]=4 13556 B13R0.339 CCCCNC(=O)COC(C)C(C)C 7a_100000748068_100000182744 [0,2,0,0,0,0|2,0,0]=4 13557 B13R0.339 CCCCNC(=O)NCC(O)C(C)C 2708a_100000102301_100000759067 [0,2,0,0,0,0|2,0,0]=4 13558 B13R0.339 CCCCNC(=O)NCC(O)C(C)C 273464a_100000102301_100000759067 [0,2,0,0,0,0|2,0,0]=4 13559 B13R0.339 CCCCNC(=O)NCC(O)C(C)C 273464a_100000759067_100000102301 [0,2,0,0,0,0|2,0,0]=4 13560 B13R0.339 CCCCNC(=O)NCC(O)C(C)C 512a_100000102301_100000759067 [0,2,0,0,0,0|2,0,0]=4 13561 B13R0.339 CCCCNC(=O)NCC(O)C(C)C 512a_100000759067_100000102301 [0,2,0,0,0,0|2,0,0]=4 13562 B13R0.339 CCCCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000211628 [0,2,0,0,0,0|1,0,0]=3 13563 B13R0.339 CCCCOC(=O)COC(C)C(=O)C 34a_100000212229_100000211628 [0,2,0,0,0,0|1,0,1]=4 13564 B13R0.339 CCCCOC(=O)COC(C)C(C)C 7a_100000748068_100000211628 [0,2,0,0,0,0|1,0,0]=3 13565 B13R0.339 CCCCOC(=O)CSC(C)C(=O)C 62a_100000211628_100009814033 [0,2,0,0,0,0|1,0,1]=4 13566 B13R0.339 CCCCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000211628 [0,2,0,0,0,0|1,0,1]=4 13567 B13R0.339 CCCOCC(=O)NCC(O)C(C)C 11a_100000759067_100000745993 [0,2,0,0,0,0|2,0,0]=4 13568 B13R0.339 CCCOCC(=O)NCC(O)C(C)C 240690a_100000759067_100000745993 [0,2,0,0,0,0|2,0,0]=4 13569 B13R0.339 CCCOCC(=O)NCC(O)C(C)C 527a_100000759067_100000745993 [0,2,0,0,0,0|2,0,0]=4 13570 B13R0.339 CCCSCC(=O)NCC(O)C(C)C 11a_100000759067_100000217233 [0,2,0,0,0,0|2,0,0]=4 13571 B13R0.339 CCCSCC(=O)NCC(O)C(C)C 240690a_100000759067_100000217233 [0,2,0,0,0,0|2,0,0]=4 13572 B13R0.339 CCCSCC(=O)NCC(O)C(C)C 527a_100000759067_100000217233 [0,2,0,0,0,0|2,0,0]=4 13573 B13R0.339 CCOCCC(=O)NCC(O)C(C)C 11a_100000759067_100000749530 [0,2,0,0,0,0|2,0,0]=4 13574 B13R0.339 CCOCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000749530 [0,2,0,0,0,0|2,0,0]=4 13575 B13R0.339 CCOCCC(=O)NCC(O)C(C)C 527a_100000759067_100000749530 [0,2,0,0,0,0|2,0,0]=4 13576 B13R0.339 CCSCCC(=O)NCC(O)C(C)C 11a_100000759067_100000230768 [0,2,0,0,0,0|2,0,0]=4 13577 B13R0.339 CCSCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000230768 [0,2,0,0,0,0|2,0,0]=4 13578 B13R0.339 CCSCCC(=O)NCC(O)C(C)C 527a_100000759067_100000230768 [0,2,0,0,0,0|2,0,0]=4 13579 B13R0.339 COCCCC(=O)NCC(O)C(C)C 11a_100000759067_100000741012 [0,2,0,0,0,0|2,0,0]=4 13580 B13R0.339 COCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000741012 [0,2,0,0,0,0|2,0,0]=4 13581 B13R0.339 COCCCC(=O)NCC(O)C(C)C 527a_100000759067_100000741012 [0,2,0,0,0,0|2,0,0]=4 13582 B13R0.339 COCCOC(=O)CNC(C)C(C)C 2230a_100000211541_200000040189 [0,2,0,0,0,0|2,0,0]=4 13583 B13R0.339 COCCOC(=O)COC(C)C(C)C 7a_100000748068_200000040189 [0,2,0,0,0,0|2,0,0]=4 13584 B13R0.339 CSCCCC(=O)NCC(O)C(C)C 11a_100000759067_100000173376 [0,2,0,0,0,0|2,0,0]=4 13585 B13R0.339 CSCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000173376 [0,2,0,0,0,0|2,0,0]=4 13586 B13R0.339 CSCCCC(=O)NCC(O)C(C)C 527a_100000759067_100000173376 [0,2,0,0,0,0|2,0,0]=4 13587 B13R0.385 CCC(C)(C)NCC(=O)OCCOC 2230a_100000211385_200000040189 [0,2,0,0,0,0|2,0,0]=4 13588 B13R0.385 CCC(C)(C)OCC(=O)OCCOC 7a_100000210230_200000040189 [0,2,0,0,0,0|2,0,0]=4 13589 B13R0.385 CCC(C)(C)SCC(=O)OCCOC 62a_100000032637_200000040189 [0,2,0,0,0,0|2,0,0]=4 13590 B13R0.385 CCC(C)(C)SCC(=O)OCCOC 62a_200000040189_100000032637 [0,2,0,0,0,0|2,0,0]=4 13591 B13R0.385 CCCCCC(=O)CCS(=O)(=O)CC 1458a_100000212188_100000756660 [0,2,0,0,0,0|2,0,0]=4 13592 B13R0.385 CCCCCC(=O)CNC(C)(C)CC 2230a_100000211385_200012276598 [0,2,0,0,0,0|2,0,0]=4 13593 B13R0.385 CCCCCC(=O)COC(C)(C)CC 7a_100000210230_200012276598 [0,2,0,0,0,0|2,0,0]=4 13594 B13R0.385 CCCCCC(=O)CSC(C)(C)CC 62a_100000032637_200012276598 [0,2,0,0,0,0|2,0,0]=4 13595 B13R0.385 CCCCCC(=O)CSC(C)(C)CC 62a_200012276598_100000032637 [0,2,0,0,0,0|2,0,0]=4 13596 B13R0.385 CCCCCC(=O)NCC(C)(C)CO 240690a_100020635058_100000212188 [0,2,0,0,0,0|2,0,0]=4 13597 B13R0.385 CCCCCC(=O)NCC(C)(C)CO 527a_100020635058_100000212188 [0,2,0,0,0,0|2,0,0]=4 13598 B13R0.385 CCCCCC(=O)NCC(C)(C)OC 11a_100000763424_100000212188 [0,2,0,0,0,0|2,0,0]=4 13599 B13R0.385 CCCCCC(=O)NCC(C)(C)OC 1626a_100000763424_100000212188 [0,2,0,0,0,0|2,0,0]=4 13600 B13R0.385 CCCCCC(=O)NCC(C)(C)OC 240690a_100000763424_100000212188 [0,2,0,0,0,0|2,0,0]=4 13601 B13R0.385 CCCCCC(=O)NCC(C)(C)OC 527a_100000763424_100000212188 [0,2,0,0,0,0|2,0,0]=4 13602 B13R0.385 CCCCCC(=O)NCC(F)(F)CO 240690a_100000703232_100000212188 [0,2,0,0,0,0|2,0,0]=4 13603 B13R0.385 CCCCCC(=O)NCC(F)(F)CO 527a_100000703232_100000212188 [0,2,0,0,0,0|2,0,0]=4 13604 B13R0.385 CCCCCC(C)OCC(C)(C)CC 7a_100000765029_200011218191 [0,2,0,0,0,0|1,0,1]=4 13605 B13R0.385 CCCCNC(=O)CNC(C)(C)CC 2230a_100000211385_100000182744 [0,2,0,0,0,0|2,0,0]=4 13606 B13R0.385 CCCCNC(=O)COC(C)(C)CC 7a_100000210230_100000182744 [0,2,0,0,0,0|2,0,0]=4 13607 B13R0.385 CCCCNC(=O)CSC(C)(C)CC 62a_100000032637_100000182744 [0,2,0,0,0,0|2,0,0]=4 13608 B13R0.385 CCCCNC(=O)CSC(C)(C)CC 62a_100000182744_100000032637 [0,2,0,0,0,0|2,0,0]=4 13609 B13R0.385 CCCCOC(=O)CNC(C)(C)CC 2230a_100000211385_100000211628 [0,2,0,0,0,0|1,0,0]=3 13610 B13R0.385 CCCCOC(=O)CNC(C)(C)CO 2230a_100000210608_100000211628 [0,2,0,0,0,0|2,0,0]=4 13611 B13R0.385 CCCCOC(=O)COC(C)(C)CC 7a_100000210230_100000211628 [0,2,0,0,0,0|1,0,0]=3 13612 B13R0.385 CCCCOC(=O)COC(C)(C)CCl 7a_100000764493_100000211628 [0,2,0,0,0,0|2,0,0]=4 13613 B13R0.385 CCCCOC(=O)CSC(C)(C)CC 62a_100000032637_100000211628 [0,2,0,0,0,0|1,0,0]=3 13614 B13R0.385 CCCCOC(=O)CSC(C)(C)CC 62a_100000211628_100000032637 [0,2,0,0,0,0|1,0,0]=3 13615 B13R0.385 CCCCOC(=O)CSC(F)(F)CO 62a_100000211628_100011217949 [0,2,0,0,0,0|2,0,0]=4 13616 B13R0.385 CCCCOC(=O)CSC(F)(F)CO 62a_100011217949_100000211628 [0,2,0,0,0,0|2,0,0]=4 13617 B13R0.426 C#CC(CC)OCC(=O)CCCCC 34a_100000758843_200012276598 [0,2,0,0,0,0|2,0,0]=4 13618 B13R0.426 C#CC(CC)OCC(=O)CCCCC 7a_100000758843_200012276598 [0,2,0,0,0,0|2,0,0]=4 13619 B13R0.426 C#CC(CC)OCC(=O)NCCCC 34a_100000758843_100000182744 [0,2,0,0,0,0|2,0,0]=4 13620 B13R0.426 C#CC(CC)OCC(=O)NCCCC 7a_100000758843_100000182744 [0,2,0,0,0,0|2,0,0]=4 13621 B13R0.426 C#CC(CC)OCC(=O)OCCCC 34a_100000758843_100000211628 [0,2,0,0,0,0|1,0,0]=3 13622 B13R0.426 C#CC(CC)OCC(=O)OCCCC 7a_100000758843_100000211628 [0,2,0,0,0,0|1,0,0]=3 13623 B13R0.426 C#CC(CC)OCC(=O)OCCOC 34a_100000758843_200000040189 [0,2,0,0,0,0|2,0,0]=4 13624 B13R0.426 C#CC(CC)OCC(=O)OCCOC 7a_100000758843_200000040189 [0,2,0,0,0,0|2,0,0]=4 13625 B13R0.426 C=CC(CC)OCC(=O)CCCCC 34a_100000766422_200012276598 [0,2,0,0,0,0|2,0,0]=4 13626 B13R0.426 C=CC(CC)OCC(=O)CCCCC 7a_100000766422_200012276598 [0,2,0,0,0,0|2,0,0]=4 13627 B13R0.426 C=CC(CC)OCC(=O)NCCCC 34a_100000766422_100000182744 [0,2,0,0,0,0|2,0,0]=4 13628 B13R0.426 C=CC(CC)OCC(=O)NCCCC 7a_100000766422_100000182744 [0,2,0,0,0,0|2,0,0]=4 13629 B13R0.426 C=CC(CC)OCC(=O)OCCCC 34a_100000766422_100000211628 [0,2,0,0,0,0|1,0,0]=3 13630 B13R0.426 C=CC(CC)OCC(=O)OCCCC 7a_100000766422_100000211628 [0,2,0,0,0,0|1,0,0]=3 13631 B13R0.426 C=CC(CC)OCC(=O)OCCOC 34a_100000766422_200000040189 [0,2,0,0,0,0|2,0,0]=4 13632 B13R0.426 C=CC(CC)OCC(=O)OCCOC 7a_100000766422_200000040189 [0,2,0,0,0,0|2,0,0]=4 13633 B13R0.426 C=C[C@@H](CO)NCC(=O)OCCCC 2230a_100016989147_100000211628 [0,2,0,0,0,0|2,0,0]=4 13634 B13R0.426 C=C[C@@H](CO)NCC(=O)OCCCC 34a_100016989147_100000211628 [0,2,0,0,0,0|2,0,0]=4 13635 B13R0.426 CCC(CC)CNC(=O)CCCCO 1626a_100102946423_100000695505 [0,2,0,0,0,0|2,0,0]=4 13636 B13R0.426 CCC(CC)CNC(=O)CCCOC 11a_100102946423_100000741012 [0,2,0,0,0,0|2,0,0]=4 13637 B13R0.426 CCC(CC)CNC(=O)CCCOC 1626a_100102946423_100000741012 [0,2,0,0,0,0|2,0,0]=4 13638 B13R0.426 CCC(CC)CNC(=O)CCCOC 240690a_100102946423_100000741012 [0,2,0,0,0,0|2,0,0]=4 13639 B13R0.426 CCC(CC)CNC(=O)CCCOC 527a_100102946423_100000741012 [0,2,0,0,0,0|2,0,0]=4 13640 B13R0.426 CCC(CC)CNC(=O)CCCSC 11a_100102946423_100000173376 [0,2,0,0,0,0|2,0,0]=4 13641 B13R0.426 CCC(CC)CNC(=O)CCCSC 1626a_100102946423_100000173376 [0,2,0,0,0,0|2,0,0]=4 13642 B13R0.426 CCC(CC)CNC(=O)CCCSC 240690a_100102946423_100000173376 [0,2,0,0,0,0|2,0,0]=4 13643 B13R0.426 CCC(CC)CNC(=O)CCCSC 527a_100102946423_100000173376 [0,2,0,0,0,0|2,0,0]=4 13644 B13R0.426 CCC(CC)NCC(=O)OCCOC 2230a_100000199018_200000040189 [0,2,0,0,0,0|2,0,0]=4 13645 B13R0.426 CCC(CC)OCC(=O)OCCOC 7a_100000688536_200000040189 [0,2,0,0,0,0|2,0,0]=4 13646 B13R0.426 CCC(CC)SCC(=O)OCCOC 62a_100000210505_200000040189 [0,2,0,0,0,0|2,0,0]=4 13647 B13R0.426 CCC(CC)SCC(=O)OCCOC 62a_200000040189_100000210505 [0,2,0,0,0,0|2,0,0]=4 13648 B13R0.426 CCC(CNC(=O)CCCCO)OC 1626a_100000731041_100000695505 [0,2,0,0,0,0|2,0,0]=4 13649 B13R0.426 CCC(CNC(=O)CCCOC)OC 11a_100000731041_100000741012 [0,2,0,0,0,0|2,0,0]=4 13650 B13R0.426 CCC(CNC(=O)CCCOC)OC 1626a_100000731041_100000741012 [0,2,0,0,0,0|2,0,0]=4 13651 B13R0.426 CCC(CNC(=O)CCCOC)OC 240690a_100000731041_100000741012 [0,2,0,0,0,0|2,0,0]=4 13652 B13R0.426 CCC(CNC(=O)CCCOC)OC 527a_100000731041_100000741012 [0,2,0,0,0,0|2,0,0]=4 13653 B13R0.426 CCC(CNC(=O)CCCSC)OC 11a_100000731041_100000173376 [0,2,0,0,0,0|2,0,0]=4 13654 B13R0.426 CCC(CNC(=O)CCCSC)OC 1626a_100000731041_100000173376 [0,2,0,0,0,0|2,0,0]=4 13655 B13R0.426 CCC(CNC(=O)CCCSC)OC 240690a_100000731041_100000173376 [0,2,0,0,0,0|2,0,0]=4 13656 B13R0.426 CCC(CNC(=O)CCCSC)OC 527a_100000731041_100000173376 [0,2,0,0,0,0|2,0,0]=4 13657 B13R0.426 CCCCCC(=O)CCC(OC)OC 1458a_100000212188_100000139399 [0,2,0,0,0,0|2,0,0]=4 13658 B13R0.426 CCCCCC(=O)CCC(OC)OC 1458a_200000082759_100000210326 [0,2,0,0,0,0|2,0,0]=4 13659 B13R0.426 CCCCCC(=O)CCN(CC)CC 1458a_100000212188_100000700428 [0,2,0,0,0,0|2,0,0]=4 13660 B13R0.426 CCCCCC(=O)CCN(CC)CC 1458a_100000750416_100000210326 [0,2,0,0,0,0|2,0,0]=4 13661 B13R0.426 CCCCCC(=O)CNC(CC)CC 2230a_100000199018_200012276598 [0,2,0,0,0,0|2,0,0]=4 13662 B13R0.426 CCCCCC(=O)CN[C@@H](CC)CO 2230a_100000709445_200012276598 [0,2,0,0,0,0|2,0,0]=4 13663 B13R0.426 CCCCCC(=O)COC(CC)CC 1458a_100012002705_100000210326 [0,2,0,0,0,0|2,0,0]=4 13664 B13R0.426 CCCCCC(=O)COC(CC)CC 7a_100000688536_200012276598 [0,2,0,0,0,0|2,0,0]=4 13665 B13R0.426 CCCCCC(=O)CSC(CC)CC 62a_100000210505_200012276598 [0,2,0,0,0,0|2,0,0]=4 13666 B13R0.426 CCCCCC(=O)CSC(CC)CC 62a_200012276598_100000210505 [0,2,0,0,0,0|2,0,0]=4 13667 B13R0.426 CCCCCC(=O)NCC(CC)CC 11a_100102946423_100000212188 [0,2,0,0,0,0|1,0,0]=3 13668 B13R0.426 CCCCCC(=O)NCC(CC)CC 1626a_100102946423_100000212188 [0,2,0,0,0,0|1,0,0]=3 13669 B13R0.426 CCCCCC(=O)NCC(CC)CC 240690a_100102946423_100000212188 [0,2,0,0,0,0|1,0,0]=3 13670 B13R0.426 CCCCCC(=O)NCC(CC)CC 527a_100102946423_100000212188 [0,2,0,0,0,0|1,0,0]=3 13671 B13R0.426 CCCCCC(=O)NCC(CC)OC 11a_100000731041_100000212188 [0,2,0,0,0,0|1,0,0]=3 13672 B13R0.426 CCCCCC(=O)NCC(CC)OC 1626a_100000731041_100000212188 [0,2,0,0,0,0|1,0,0]=3 13673 B13R0.426 CCCCCC(=O)NCC(CC)OC 240690a_100000731041_100000212188 [0,2,0,0,0,0|1,0,0]=3 13674 B13R0.426 CCCCCC(=O)NCC(CC)OC 527a_100000731041_100000212188 [0,2,0,0,0,0|1,0,0]=3 13675 B13R0.426 CCCCCC(=O)NCC(OC)OC 11a_100000210479_100000212188 [0,2,0,0,0,0|2,0,0]=4 13676 B13R0.426 CCCCCC(=O)NCC(OC)OC 1626a_100000210479_100000212188 [0,2,0,0,0,0|2,0,0]=4 13677 B13R0.426 CCCCCC(=O)NCC(OC)OC 240690a_100000210479_100000212188 [0,2,0,0,0,0|2,0,0]=4 13678 B13R0.426 CCCCCC(=O)NCC(OC)OC 527a_100000210479_100000212188 [0,2,0,0,0,0|2,0,0]=4 13679 B13R0.426 CCCCCC(=O)NNC(CC)CC 22a_100000756293_100000212188 [0,2,0,0,0,0|2,0,0]=4 13680 B13R0.426 CCCCCC(C)OCC(CC)CC 34a_100011215632_100011215472 [0,2,0,0,0,0|1,0,1]=4 13681 B13R0.426 CCCCCC(C)OCC(CC)CC 7a_100000703878_200011218191 [0,2,0,0,0,0|1,0,1]=4 13682 B13R0.426 CCCCCC(C)OCC(CC)CC 7a_100011215632_100011215472 [0,2,0,0,0,0|1,0,1]=4 13683 B13R0.426 CCCCCC(C)OCC(CC)OC 34a_100011934954_200011218191 [0,2,0,0,0,0|1,0,1]=4 13684 B13R0.426 CCCCCC(C)OCC(CC)OC 7a_100011934954_200011218191 [0,2,0,0,0,0|1,0,1]=4 13685 B13R0.426 CCCCNC(=O)CCC(OC)OC 11a_100000102301_200000082759 [0,2,0,0,0,0|2,0,0]=4 13686 B13R0.426 CCCCNC(=O)CCC(OC)OC 1626a_100000102301_200000082759 [0,2,0,0,0,0|2,0,0]=4 13687 B13R0.426 CCCCNC(=O)CCC(OC)OC 240690a_100000102301_200000082759 [0,2,0,0,0,0|2,0,0]=4 13688 B13R0.426 CCCCNC(=O)CCC(OC)OC 527a_100000102301_200000082759 [0,2,0,0,0,0|2,0,0]=4 13689 B13R0.426 CCCCNC(=O)CCN(CC)CC 11a_100000102301_100000750416 [0,2,0,0,0,0|2,0,0]=4 13690 B13R0.426 CCCCNC(=O)CCN(CC)CC 240690a_100000102301_100000750416 [0,2,0,0,0,0|2,0,0]=4 13691 B13R0.426 CCCCNC(=O)CNC(CC)CC 2230a_100000199018_100000182744 [0,2,0,0,0,0|2,0,0]=4 13692 B13R0.426 CCCCNC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000182744 [0,2,0,0,0,0|2,0,0]=4 13693 B13R0.426 CCCCNC(=O)COC(CC)CC 11a_100000102301_100012002705 [0,2,0,0,0,0|2,0,0]=4 13694 B13R0.426 CCCCNC(=O)COC(CC)CC 1626a_100000102301_100012002705 [0,2,0,0,0,0|2,0,0]=4 13695 B13R0.426 CCCCNC(=O)COC(CC)CC 240690a_100000102301_100012002705 [0,2,0,0,0,0|2,0,0]=4 13696 B13R0.426 CCCCNC(=O)COC(CC)CC 527a_100000102301_100012002705 [0,2,0,0,0,0|2,0,0]=4 13697 B13R0.426 CCCCNC(=O)COC(CC)CC 7a_100000688536_100000182744 [0,2,0,0,0,0|2,0,0]=4 13698 B13R0.426 CCCCNC(=O)CSC(CC)CC 62a_100000182744_100000210505 [0,2,0,0,0,0|2,0,0]=4 13699 B13R0.426 CCCCNC(=O)CSC(CC)CC 62a_100000210505_100000182744 [0,2,0,0,0,0|2,0,0]=4 13700 B13R0.426 CCCCNC(=O)NCC(CC)CC 2708a_100000102301_100102946423 [0,2,0,0,0,0|2,0,0]=4 13701 B13R0.426 CCCCNC(=O)NCC(CC)CC 2708a_100102946423_100000102301 [0,2,0,0,0,0|2,0,0]=4 13702 B13R0.426 CCCCNC(=O)NCC(CC)CC 273464a_100000102301_100102946423 [0,2,0,0,0,0|2,0,0]=4 13703 B13R0.426 CCCCNC(=O)NCC(CC)CC 273464a_100102946423_100000102301 [0,2,0,0,0,0|2,0,0]=4 13704 B13R0.426 CCCCNC(=O)NCC(CC)CC 512a_100000102301_100102946423 [0,2,0,0,0,0|2,0,0]=4 13705 B13R0.426 CCCCNC(=O)NCC(CC)CC 512a_100102946423_100000102301 [0,2,0,0,0,0|2,0,0]=4 13706 B13R0.426 CCCCNC(=O)NCC(CC)OC 2708a_100000102301_100000731041 [0,2,0,0,0,0|2,0,0]=4 13707 B13R0.426 CCCCNC(=O)NCC(CC)OC 2708a_100000731041_100000102301 [0,2,0,0,0,0|2,0,0]=4 13708 B13R0.426 CCCCNC(=O)NCC(CC)OC 273464a_100000102301_100000731041 [0,2,0,0,0,0|2,0,0]=4 13709 B13R0.426 CCCCNC(=O)NCC(CC)OC 273464a_100000731041_100000102301 [0,2,0,0,0,0|2,0,0]=4 13710 B13R0.426 CCCCNC(=O)NCC(CC)OC 512a_100000102301_100000731041 [0,2,0,0,0,0|2,0,0]=4 13711 B13R0.426 CCCCNC(=O)NCC(CC)OC 512a_100000731041_100000102301 [0,2,0,0,0,0|2,0,0]=4 13712 B13R0.426 CCCCOC(=O)CNC(CC)CC 2230a_100000199018_100000211628 [0,2,0,0,0,0|1,0,0]=3 13713 B13R0.426 CCCCOC(=O)CNC(CO)CO 2230a_100000759517_100000211628 [0,2,0,0,0,0|2,0,0]=4 13714 B13R0.426 CCCCOC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000211628 [0,2,0,0,0,0|1,0,0]=3 13715 B13R0.426 CCCCOC(=O)COC(CC)CC 7a_100000688536_100000211628 [0,2,0,0,0,0|1,0,0]=3 13716 B13R0.426 CCCCOC(=O)COC(CCl)CCl 7a_100000737055_100000211628 [0,2,0,0,0,0|2,0,0]=4 13717 B13R0.426 CCCCOC(=O)COC(CF)CF 34a_100000032261_100000211628 [0,2,0,0,0,0|2,0,0]=4 13718 B13R0.426 CCCCOC(=O)COC(CF)CF 7a_100000032261_100000211628 [0,2,0,0,0,0|2,0,0]=4 13719 B13R0.426 CCCCOC(=O)COC(CN)CN 34a_100000031598_100000211628 [0,2,0,0,0,0|2,0,0]=4 13720 B13R0.426 CCCCOC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000211628 [0,2,0,0,0,0|2,0,0]=4 13721 B13R0.426 CCCCOC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000211628 [0,2,0,0,0,0|2,0,0]=4 13722 B13R0.426 CCCCOC(=O)CSC(CC)CC 62a_100000210505_100000211628 [0,2,0,0,0,0|1,0,0]=3 13723 B13R0.426 CCCCOC(=O)CSC(CC)CC 62a_100000211628_100000210505 [0,2,0,0,0,0|1,0,0]=3 13724 B13R0.426 CCCOCC(=O)NCC(CC)CC 11a_100102946423_100000745993 [0,2,0,0,0,0|2,0,0]=4 13725 B13R0.426 CCCOCC(=O)NCC(CC)CC 1626a_100102946423_100000745993 [0,2,0,0,0,0|2,0,0]=4 13726 B13R0.426 CCCOCC(=O)NCC(CC)CC 240690a_100102946423_100000745993 [0,2,0,0,0,0|2,0,0]=4 13727 B13R0.426 CCCOCC(=O)NCC(CC)CC 527a_100102946423_100000745993 [0,2,0,0,0,0|2,0,0]=4 13728 B13R0.426 CCCOCC(=O)NCC(CC)OC 11a_100000731041_100000745993 [0,2,0,0,0,0|2,0,0]=4 13729 B13R0.426 CCCOCC(=O)NCC(CC)OC 1626a_100000731041_100000745993 [0,2,0,0,0,0|2,0,0]=4 13730 B13R0.426 CCCOCC(=O)NCC(CC)OC 240690a_100000731041_100000745993 [0,2,0,0,0,0|2,0,0]=4 13731 B13R0.426 CCCOCC(=O)NCC(CC)OC 527a_100000731041_100000745993 [0,2,0,0,0,0|2,0,0]=4 13732 B13R0.426 CCCSCC(=O)NCC(CC)CC 11a_100102946423_100000217233 [0,2,0,0,0,0|2,0,0]=4 13733 B13R0.426 CCCSCC(=O)NCC(CC)CC 1626a_100102946423_100000217233 [0,2,0,0,0,0|2,0,0]=4 13734 B13R0.426 CCCSCC(=O)NCC(CC)CC 240690a_100102946423_100000217233 [0,2,0,0,0,0|2,0,0]=4 13735 B13R0.426 CCCSCC(=O)NCC(CC)CC 527a_100102946423_100000217233 [0,2,0,0,0,0|2,0,0]=4 13736 B13R0.426 CCCSCC(=O)NCC(CC)OC 11a_100000731041_100000217233 [0,2,0,0,0,0|2,0,0]=4 13737 B13R0.426 CCCSCC(=O)NCC(CC)OC 1626a_100000731041_100000217233 [0,2,0,0,0,0|2,0,0]=4 13738 B13R0.426 CCCSCC(=O)NCC(CC)OC 240690a_100000731041_100000217233 [0,2,0,0,0,0|2,0,0]=4 13739 B13R0.426 CCCSCC(=O)NCC(CC)OC 527a_100000731041_100000217233 [0,2,0,0,0,0|2,0,0]=4 13740 B13R0.426 CCOCCC(=O)NCC(CC)CC 11a_100102946423_100000749530 [0,2,0,0,0,0|2,0,0]=4 13741 B13R0.426 CCOCCC(=O)NCC(CC)CC 1626a_100102946423_100000749530 [0,2,0,0,0,0|2,0,0]=4 13742 B13R0.426 CCOCCC(=O)NCC(CC)CC 240690a_100102946423_100000749530 [0,2,0,0,0,0|2,0,0]=4 13743 B13R0.426 CCOCCC(=O)NCC(CC)CC 527a_100102946423_100000749530 [0,2,0,0,0,0|2,0,0]=4 13744 B13R0.426 CCOCCC(=O)NCC(CC)OC 11a_100000731041_100000749530 [0,2,0,0,0,0|2,0,0]=4 13745 B13R0.426 CCOCCC(=O)NCC(CC)OC 1626a_100000731041_100000749530 [0,2,0,0,0,0|2,0,0]=4 13746 B13R0.426 CCOCCC(=O)NCC(CC)OC 240690a_100000731041_100000749530 [0,2,0,0,0,0|2,0,0]=4 13747 B13R0.426 CCOCCC(=O)NCC(CC)OC 527a_100000731041_100000749530 [0,2,0,0,0,0|2,0,0]=4 13748 B13R0.426 CCSCCC(=O)NCC(CC)CC 11a_100102946423_100000230768 [0,2,0,0,0,0|2,0,0]=4 13749 B13R0.426 CCSCCC(=O)NCC(CC)CC 1626a_100102946423_100000230768 [0,2,0,0,0,0|2,0,0]=4 13750 B13R0.426 CCSCCC(=O)NCC(CC)CC 240690a_100102946423_100000230768 [0,2,0,0,0,0|2,0,0]=4 13751 B13R0.426 CCSCCC(=O)NCC(CC)CC 527a_100102946423_100000230768 [0,2,0,0,0,0|2,0,0]=4 13752 B13R0.426 CCSCCC(=O)NCC(CC)OC 11a_100000731041_100000230768 [0,2,0,0,0,0|2,0,0]=4 13753 B13R0.426 CCSCCC(=O)NCC(CC)OC 1626a_100000731041_100000230768 [0,2,0,0,0,0|2,0,0]=4 13754 B13R0.426 CCSCCC(=O)NCC(CC)OC 240690a_100000731041_100000230768 [0,2,0,0,0,0|2,0,0]=4 13755 B13R0.426 CCSCCC(=O)NCC(CC)OC 527a_100000731041_100000230768 [0,2,0,0,0,0|2,0,0]=4 13756 B13R0.426 CC[C@@H](CO)NCC(=O)OCCOC 2230a_100000709445_200000040189 [0,2,0,0,0,0|2,0,0]=4 13757 B13R0.493 CC(C)CCCC(=O)NCC(C)CO 240690a_100000744482_100011216857 [0,2,0,0,0,0|2,0,0]=4 13758 B13R0.493 CC(C)CCCC(=O)NCC(C)CO 527a_100000744482_100011216857 [0,2,0,0,0,0|2,0,0]=4 13759 B13R0.493 CC(C)CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100011216857 [0,2,0,0,0,0|2,0,0]=4 13760 B13R0.493 CC(C)CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100011216857 [0,2,0,0,0,0|2,0,0]=4 13761 B13R0.493 CC(C)CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100011216857 [0,2,0,0,0,0|2,0,0]=4 13762 B13R0.493 CC(C)CCCC(=O)NC[C@H](O)CO 527a_100020644852_100011216857 [0,2,0,0,0,0|2,0,0]=4 13763 B13R0.493 CC(O)CCCC(=O)NCC(C)CO 527a_100000744482_100000761597 [0,2,0,0,0,0|2,0,0]=4 13764 B13R0.493 CC(O)CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000761597 [0,2,0,0,0,0|2,0,0]=4 13765 B13R0.493 CC(O)CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000761597 [0,2,0,0,0,0|2,0,0]=4 13766 B13R0.493 CCC(C)CCC(=O)CCCC(=O)C 1458a_100000701222_100011215641 [0,2,0,0,0,0|1,0,1]=4 13767 B13R0.493 CCC(C)CCC(=O)CCCC(C)C 1458a_100000701222_100011214892 [0,2,0,0,0,0|1,0,0]=3 13768 B13R0.493 CCC(C)CCC(=O)CCCC(C)O 1458a_100000701222_200000718107 [0,2,0,0,0,0|1,0,0]=3 13769 B13R0.493 CCC(C)CCC(=O)CCCN(C)C 1458a_100000701222_100000695564 [0,2,0,0,0,0|2,0,0]=4 13770 B13R0.493 CCC(C)CCC(=O)CCOC(C)C 1458a_100000701222_100000211751 [0,2,0,0,0,0|2,0,0]=4 13771 B13R0.493 CCC(C)CCC(=O)CCSC(C)C 1458a_100000701222_100000730970 [0,2,0,0,0,0|2,0,0]=4 13772 B13R0.493 CCC(C)CCC(=O)NCCC(C)C 11a_100000210545_100000701222 [0,2,0,0,0,0|1,0,0]=3 13773 B13R0.493 CCC(C)CCC(=O)NCCC(C)C 1626a_100000210545_100000701222 [0,2,0,0,0,0|1,0,0]=3 13774 B13R0.493 CCC(C)CCC(=O)NCCC(C)C 240690a_100000210545_100000701222 [0,2,0,0,0,0|1,0,0]=3 13775 B13R0.493 CCC(C)CCC(=O)NCCC(C)C 527a_100000210545_100000701222 [0,2,0,0,0,0|1,0,0]=3 13776 B13R0.493 CCC(C)CCC(=O)NCCC(C)O 240690a_200000755665_100000701222 [0,2,0,0,0,0|1,0,0]=3 13777 B13R0.493 CCC(C)CCC(=O)NCCC(C)O 527a_200000755665_100000701222 [0,2,0,0,0,0|1,0,0]=3 13778 B13R0.493 CCC(C)CCC(=O)NCCN(C)C 240690a_100000210585_100000701222 [0,2,0,0,0,0|2,0,0]=4 13779 B13R0.493 CCC(C)CCC(=O)NCCN(C)C 527a_100000210585_100000701222 [0,2,0,0,0,0|2,0,0]=4 13780 B13R0.493 CCC(C)CCC(=O)NNCC(C)C 22a_100000696102_100000701222 [0,2,0,0,0,0|2,0,0]=4 13781 B13R0.493 CCC(C)CCC(=O)NNCC(C)O 22a_200000730056_100000701222 [0,2,0,0,0,0|2,0,0]=4 13782 B13R0.493 CCC(C)CCC(C)OCCC(C)C 7a_200011216552_100000210626 [0,2,0,0,0,0|1,0,1]=4 13783 B13R0.493 CCC(C)CCC(C)OCCC(C)O 7a_200011216552_100012276601 [0,2,0,0,0,0|1,0,1]=4 13784 B13R0.493 CCC(C)CNC(=O)CCCC(C)C 11a_100020588543_100011216857 [0,2,0,0,0,0|1,0,0]=3 13785 B13R0.493 CCC(C)CNC(=O)CCCC(C)C 1626a_100020588543_100011216857 [0,2,0,0,0,0|1,0,0]=3 13786 B13R0.493 CCC(C)CNC(=O)CCCC(C)C 240690a_100020588543_100011216857 [0,2,0,0,0,0|1,0,0]=3 13787 B13R0.493 CCC(C)CNC(=O)CCCC(C)C 527a_100020588543_100011216857 [0,2,0,0,0,0|1,0,0]=3 13788 B13R0.493 CCC(C)CNC(=O)CCCC(C)O 1626a_100020588543_100000761597 [0,2,0,0,0,0|1,0,0]=3 13789 B13R0.493 CCC(C)CNC(=O)CCCC(C)O 527a_100020588543_100000761597 [0,2,0,0,0,0|1,0,0]=3 13790 B13R0.493 CCC(C)CNC(=O)CCCN(C)C 11a_100020588543_100000740757 [0,2,0,0,0,0|2,0,0]=4 13791 B13R0.493 CCC(C)CNC(=O)CCCN(C)C 240690a_100020588543_100000740757 [0,2,0,0,0,0|2,0,0]=4 13792 B13R0.493 CCC(C)CNC(=O)COCC(C)C 11a_100020588543_100011223364 [0,2,0,0,0,0|2,0,0]=4 13793 B13R0.493 CCC(C)CNC(=O)COCC(C)C 1626a_100020588543_100011223364 [0,2,0,0,0,0|2,0,0]=4 13794 B13R0.493 CCC(C)CNC(=O)COCC(C)C 240690a_100020588543_100011223364 [0,2,0,0,0,0|2,0,0]=4 13795 B13R0.493 CCC(C)CNC(=O)COCC(C)C 527a_100020588543_100011223364 [0,2,0,0,0,0|2,0,0]=4 13796 B13R0.493 CCC(C)CNC(=O)NCCC(C)C 2708a_100000210545_100020588543 [0,2,0,0,0,0|2,0,0]=4 13797 B13R0.493 CCC(C)CNC(=O)NCCC(C)C 2708a_100020588543_100000210545 [0,2,0,0,0,0|2,0,0]=4 13798 B13R0.493 CCC(C)CNC(=O)NCCC(C)C 273464a_100000210545_100020588543 [0,2,0,0,0,0|2,0,0]=4 13799 B13R0.493 CCC(C)CNC(=O)NCCC(C)C 273464a_100020588543_100000210545 [0,2,0,0,0,0|2,0,0]=4 13800 B13R0.493 CCC(C)CNC(=O)NCCC(C)C 512a_100000210545_100020588543 [0,2,0,0,0,0|2,0,0]=4 13801 B13R0.493 CCC(C)CNC(=O)NCCC(C)C 512a_100020588543_100000210545 [0,2,0,0,0,0|2,0,0]=4 13802 B13R0.493 CCC(C)CNC(=O)NCCC(C)O 2708a_100020588543_200000755665 [0,2,0,0,0,0|2,0,0]=4 13803 B13R0.493 CCC(C)CNC(=O)NCCC(C)O 273464a_200000755665_100020588543 [0,2,0,0,0,0|2,0,0]=4 13804 B13R0.493 CCC(C)CNC(=O)NCCC(C)O 512a_100020588543_200000755665 [0,2,0,0,0,0|2,0,0]=4 13805 B13R0.493 CCC(C)CNC(=O)NCCC(C)O 512a_200000755665_100020588543 [0,2,0,0,0,0|2,0,0]=4 13806 B13R0.493 CCC(C)COC(C)CCCC(C)C 34a_200011218570_100000748023 [0,2,0,0,0,0|1,0,1]=4 13807 B13R0.493 CCC(C)COC(C)CCCC(C)C 7a_200011218570_100000748023 [0,2,0,0,0,0|1,0,1]=4 13808 B13R0.493 CCC(C)NNC(=O)CCCC(C)C 22a_100000718999_100011216857 [0,2,0,0,0,0|2,0,0]=4 13809 B13R0.493 CCC(C)NNC(=O)CCCC(C)O 22a_100000718999_100000761597 [0,2,0,0,0,0|2,0,0]=4 13810 B13R0.493 CCC(O)CCC(=O)NCCC(C)C 1626a_100000210545_203496584001 [0,2,0,0,0,0|1,0,0]=3 13811 B13R0.493 CCC(O)CCC(=O)NCCC(C)C 240690a_100000210545_203496584001 [0,2,0,0,0,0|1,0,0]=3 13812 B13R0.493 CCC(O)CCC(=O)NCCC(C)O 240690a_200000755665_203496584001 [0,2,0,0,0,0|1,0,0]=3 13813 B13R0.493 CCC(O)CCC(=O)NCCN(C)C 240690a_100000210585_203496584001 [0,2,0,0,0,0|2,0,0]=4 13814 B13R0.493 CCC(O)CCC(=O)NNCC(C)C 22a_100000696102_203496584001 [0,2,0,0,0,0|2,0,0]=4 13815 B13R0.493 CCC(O)CCC(=O)NNCC(C)O 22a_200000730056_203496584001 [0,2,0,0,0,0|2,0,0]=4 13816 B13R0.493 CCC(O)CNC(=O)CCCC(C)C 11a_100011218483_100011216857 [0,2,0,0,0,0|1,0,0]=3 13817 B13R0.493 CCC(O)CNC(=O)CCCC(C)C 240690a_100011218483_100011216857 [0,2,0,0,0,0|1,0,0]=3 13818 B13R0.493 CCC(O)CNC(=O)CCCC(C)C 527a_100011218483_100011216857 [0,2,0,0,0,0|1,0,0]=3 13819 B13R0.493 CCC(O)CNC(=O)CCCC(C)O 527a_100011218483_100000761597 [0,2,0,0,0,0|1,0,0]=3 13820 B13R0.493 CCC(O)CNC(=O)CCCN(C)C 11a_100011218483_100000740757 [0,2,0,0,0,0|2,0,0]=4 13821 B13R0.493 CCC(O)CNC(=O)CCCN(C)C 240690a_100011218483_100000740757 [0,2,0,0,0,0|2,0,0]=4 13822 B13R0.493 CCC(O)CNC(=O)COCC(C)C 11a_100011218483_100011223364 [0,2,0,0,0,0|2,0,0]=4 13823 B13R0.493 CCC(O)CNC(=O)COCC(C)C 240690a_100011218483_100011223364 [0,2,0,0,0,0|2,0,0]=4 13824 B13R0.493 CCC(O)CNC(=O)COCC(C)C 527a_100011218483_100011223364 [0,2,0,0,0,0|2,0,0]=4 13825 B13R0.493 CCC(O)CNC(=O)NCCC(C)C 2708a_100000210545_100011218483 [0,2,0,0,0,0|2,0,0]=4 13826 B13R0.493 CCC(O)CNC(=O)NCCC(C)C 273464a_100000210545_100011218483 [0,2,0,0,0,0|2,0,0]=4 13827 B13R0.493 CCC(O)CNC(=O)NCCC(C)C 273464a_100011218483_100000210545 [0,2,0,0,0,0|2,0,0]=4 13828 B13R0.493 CCC(O)CNC(=O)NCCC(C)C 512a_100011218483_100000210545 [0,2,0,0,0,0|2,0,0]=4 13829 B13R0.493 CCC(O)CNC(=O)NCCC(C)O 273464a_200000755665_100011218483 [0,2,0,0,0,0|2,0,0]=4 13830 B13R0.493 CCC(O)CNC(=O)NCCC(C)O 512a_100011218483_200000755665 [0,2,0,0,0,0|2,0,0]=4 13831 B13R0.493 CCC(O)COC(C)CCCC(C)C 34a_200011218570_100011218378 [0,2,0,0,0,0|1,0,1]=4 13832 B13R0.493 CCC(O)COC(C)CCCC(C)C 7a_200011218570_100011218378 [0,2,0,0,0,0|1,0,1]=4 13833 B13R0.493 CCN(C)CCC(=O)CCCC(C)C 1458a_100000755305_100011214892 [0,2,0,0,0,0|2,0,0]=4 13834 B13R0.493 CCN(C)CCC(=O)CCCC(C)O 1458a_100000755305_200000718107 [0,2,0,0,0,0|2,0,0]=4 13835 B13R0.493 CCN(C)CCC(=O)NCCC(C)C 240690a_100000210545_100000755305 [0,2,0,0,0,0|2,0,0]=4 13836 B13R0.493 CCN(C)CCC(=O)NCCC(C)O 240690a_200000755665_100000755305 [0,2,0,0,0,0|2,0,0]=4 13837 B13R0.493 CCS(=O)CCC(=O)CCCC(C)C 1458a_100011387550_100011214892 [0,2,0,0,0,0|2,0,0]=4 13838 B13R0.493 CCS(=O)CCC(=O)CCCC(C)O 1458a_100011387550_200000718107 [0,2,0,0,0,0|2,0,0]=4 13839 B13R0.493 CCS(=O)CCC(=O)NCCC(C)C 11a_100000210545_100011387550 [0,2,0,0,0,0|2,0,0]=4 13840 B13R0.493 CCS(=O)CCC(=O)NCCC(C)C 1626a_100000210545_100011387550 [0,2,0,0,0,0|2,0,0]=4 13841 B13R0.493 CCS(=O)CCC(=O)NCCC(C)C 240690a_100000210545_100011387550 [0,2,0,0,0,0|2,0,0]=4 13842 B13R0.493 CCS(=O)CCC(=O)NCCC(C)C 527a_100000210545_100011387550 [0,2,0,0,0,0|2,0,0]=4 13843 B13R0.493 CCS(=O)CCC(=O)NCCC(C)O 240690a_200000755665_100011387550 [0,2,0,0,0,0|2,0,0]=4 13844 B13R0.493 CCS(=O)CCC(=O)NCCC(C)O 527a_200000755665_100011387550 [0,2,0,0,0,0|2,0,0]=4 13845 B13R0.493 CC[C@H](C)COC(C)CCCC(C)C 34a_200011218570_100009816398 [0,2,0,0,0,0|1,0,1]=4 13846 B13R0.493 CC[C@H](C)COC(C)CCCC(C)C 7a_200011218570_100009816398 [0,2,0,0,0,0|1,0,1]=4 13847 B13R0.493 CO[C@H](C)CNC(=O)CCCC(C)C 11a_100020591295_100011216857 [0,2,0,0,0,0|2,0,0]=4 13848 B13R0.493 CO[C@H](C)CNC(=O)CCCC(C)C 1626a_100020591295_100011216857 [0,2,0,0,0,0|2,0,0]=4 13849 B13R0.493 CO[C@H](C)CNC(=O)CCCC(C)C 240690a_100020591295_100011216857 [0,2,0,0,0,0|2,0,0]=4 13850 B13R0.493 CO[C@H](C)CNC(=O)CCCC(C)C 527a_100020591295_100011216857 [0,2,0,0,0,0|2,0,0]=4 13851 B13R0.493 CO[C@H](C)CNC(=O)CCCC(C)O 1626a_100020591295_100000761597 [0,2,0,0,0,0|2,0,0]=4 13852 B13R0.493 CO[C@H](C)CNC(=O)CCCC(C)O 527a_100020591295_100000761597 [0,2,0,0,0,0|2,0,0]=4 13853 B13R0.961 CCC(C)CCC(=O)NCC(C)CC 11a_100020588543_100000701222 [0,2,0,0,0,0|1,0,0]=3 13854 B13R0.961 CCC(C)CCC(=O)NCC(C)CC 1626a_100020588543_100000701222 [0,2,0,0,0,0|1,0,0]=3 13855 B13R0.961 CCC(C)CCC(=O)NCC(C)CC 240690a_100020588543_100000701222 [0,2,0,0,0,0|1,0,0]=3 13856 B13R0.961 CCC(C)CCC(=O)NCC(C)CC 527a_100020588543_100000701222 [0,2,0,0,0,0|1,0,0]=3 13857 B13R0.961 CCC(C)CCC(=O)NCC(C)CO 240690a_100000744482_100000701222 [0,2,0,0,0,0|2,0,0]=4 13858 B13R0.961 CCC(C)CCC(=O)NCC(C)CO 527a_100000744482_100000701222 [0,2,0,0,0,0|2,0,0]=4 13859 B13R0.961 CCC(C)CCC(=O)NCC(O)CC 11a_100011218483_100000701222 [0,2,0,0,0,0|1,0,0]=3 13860 B13R0.961 CCC(C)CCC(=O)NCC(O)CC 240690a_100011218483_100000701222 [0,2,0,0,0,0|1,0,0]=3 13861 B13R0.961 CCC(C)CCC(=O)NCC(O)CC 527a_100011218483_100000701222 [0,2,0,0,0,0|1,0,0]=3 13862 B13R0.961 CCC(C)CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000701222 [0,2,0,0,0,0|2,0,0]=4 13863 B13R0.961 CCC(C)CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000701222 [0,2,0,0,0,0|2,0,0]=4 13864 B13R0.961 CCC(C)CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000701222 [0,2,0,0,0,0|2,0,0]=4 13865 B13R0.961 CCC(C)CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000701222 [0,2,0,0,0,0|2,0,0]=4 13866 B13R0.961 CCC(C)CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000701222 [0,2,0,0,0,0|2,0,0]=4 13867 B13R0.961 CCC(C)CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000701222 [0,2,0,0,0,0|2,0,0]=4 13868 B13R0.961 CCC(C)CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000701222 [0,2,0,0,0,0|2,0,0]=4 13869 B13R0.961 CCC(C)CCC(=O)NC[C@H](O)CO 527a_100020644852_100000701222 [0,2,0,0,0,0|2,0,0]=4 13870 B13R0.961 CCC(C)CCC(=O)NNC(C)CC 22a_100000718999_100000701222 [0,2,0,0,0,0|2,0,0]=4 13871 B13R0.961 CCC(C)CCC(C)OCC(C)CC 7a_200011216552_100000748023 [0,2,0,0,0,0|1,0,1]=4 13872 B13R0.961 CCC(C)CCC(C)OCC(O)CC 7a_200011216552_100011218378 [0,2,0,0,0,0|1,0,1]=4 13873 B13R0.961 CCC(C)CCC(C)OC[C@@H](C)CC 7a_200011216552_100009816398 [0,2,0,0,0,0|1,0,1]=4 13874 B13R0.961 CCC(C)CNC(=O)CCC(O)CC 1626a_100020588543_203496584001 [0,2,0,0,0,0|1,0,0]=3 13875 B13R0.961 CCC(C)CNC(=O)CCC(O)CC 240690a_100020588543_203496584001 [0,2,0,0,0,0|1,0,0]=3 13876 B13R0.961 CCC(C)CNC(=O)CCN(C)CC 240690a_100020588543_100000755305 [0,2,0,0,0,0|2,0,0]=4 13877 B13R0.961 CCC(C)CNC(=O)CCS(=O)CC 11a_100020588543_100011387550 [0,2,0,0,0,0|2,0,0]=4 13878 B13R0.961 CCC(C)CNC(=O)CCS(=O)CC 1626a_100020588543_100011387550 [0,2,0,0,0,0|2,0,0]=4 13879 B13R0.961 CCC(C)CNC(=O)CCS(=O)CC 240690a_100020588543_100011387550 [0,2,0,0,0,0|2,0,0]=4 13880 B13R0.961 CCC(C)CNC(=O)CCS(=O)CC 527a_100020588543_100011387550 [0,2,0,0,0,0|2,0,0]=4 13881 B13R0.961 CCC(C)CNC(=O)NCC(C)CC 2708a_100020588543_100020588543 [0,2,0,0,0,0|2,0,0]=4 13882 B13R0.961 CCC(C)CNC(=O)NCC(C)CC 273464a_100020588543_100020588543 [0,2,0,0,0,0|2,0,0]=4 13883 B13R0.961 CCC(C)CNC(=O)NCC(C)CC 512a_100020588543_100020588543 [0,2,0,0,0,0|2,0,0]=4 13884 B13R0.961 CCC(C)CNC(=O)NCC(O)CC 2708a_100020588543_100011218483 [0,2,0,0,0,0|2,0,0]=4 13885 B13R0.961 CCC(C)CNC(=O)NCC(O)CC 273464a_100011218483_100020588543 [0,2,0,0,0,0|2,0,0]=4 13886 B13R0.961 CCC(C)CNC(=O)NCC(O)CC 273464a_100020588543_100011218483 [0,2,0,0,0,0|2,0,0]=4 13887 B13R0.961 CCC(C)CNC(=O)NCC(O)CC 512a_100011218483_100020588543 [0,2,0,0,0,0|2,0,0]=4 13888 B13R0.961 CCC(O)CCC(=O)NCC(C)CO 240690a_100000744482_203496584001 [0,2,0,0,0,0|2,0,0]=4 13889 B13R0.961 CCC(O)CCC(=O)NCC(O)CC 240690a_100011218483_203496584001 [0,2,0,0,0,0|1,0,0]=3 13890 B13R0.961 CCC(O)CCC(=O)NC[C@@H](C)OC 1626a_100020591295_203496584001 [0,2,0,0,0,0|2,0,0]=4 13891 B13R0.961 CCC(O)CCC(=O)NC[C@@H](C)OC 240690a_100020591295_203496584001 [0,2,0,0,0,0|2,0,0]=4 13892 B13R0.961 CCC(O)CCC(=O)NC[C@@H](F)CO 240690a_100015665980_203496584001 [0,2,0,0,0,0|2,0,0]=4 13893 B13R0.961 CCC(O)CCC(=O)NC[C@H](O)CO 240690a_100020644852_203496584001 [0,2,0,0,0,0|2,0,0]=4 13894 B13R0.961 CCC(O)CCC(=O)NNC(C)CC 22a_100000718999_203496584001 [0,2,0,0,0,0|2,0,0]=4 13895 B13R0.961 CCC(O)CNC(=O)CCN(C)CC 240690a_100011218483_100000755305 [0,2,0,0,0,0|2,0,0]=4 13896 B13R0.961 CCC(O)CNC(=O)CCS(=O)CC 11a_100011218483_100011387550 [0,2,0,0,0,0|2,0,0]=4 13897 B13R0.961 CCC(O)CNC(=O)CCS(=O)CC 240690a_100011218483_100011387550 [0,2,0,0,0,0|2,0,0]=4 13898 B13R0.961 CCC(O)CNC(=O)CCS(=O)CC 527a_100011218483_100011387550 [0,2,0,0,0,0|2,0,0]=4 13899 B13R0.961 CCC(O)CNC(=O)NCC(O)CC 273464a_100011218483_100011218483 [0,2,0,0,0,0|2,0,0]=4 13900 B13R0.1256 CCCCCS(=O)(=O)NCC(C)CC 270084a_100020588543_100000753860 [0,2,0,0,0,0|2,0,0]=4 13901 B13R0.1256 CCCCCS(=O)(=O)NCC(C)CC 274078a_100020588543_100000753860 [0,2,0,0,0,0|2,0,0]=4 13902 B13R0.1256 CCCCCS(=O)(=O)NCC(O)CC 270084a_100011218483_100000753860 [0,2,0,0,0,0|2,0,0]=4 13903 B13R0.1256 CCCCCS(=O)(=O)NCC(O)CC 274078a_100011218483_100000753860 [0,2,0,0,0,0|2,0,0]=4 13904 B13R0.1293 CCC(C)C(=O)CC(=O)OCCOC 1458a_100011192722_200000040189 [0,2,0,0,0,0|1,0,1]=4 13905 B13R0.1293 CCC(C)N(C)CC(=O)OCCOC 2230a_100000741768_200000040189 [0,2,0,0,0,0|2,0,0]=4 13906 B13R0.1293 CCC(C)N(C)CC(=O)OCCOC 269982a_100000741768_200000040189 [0,2,0,0,0,0|2,0,0]=4 13907 B13R0.1293 CCC(O)C(=O)CC(=O)OCCOC 1458a_100011196387_200000040189 [0,2,0,0,0,0|1,0,1]=4 13908 B13R0.1293 CCCCCC(=O)CC(=O)C(C)CC 1458a_100011192722_200012276598 [0,2,0,0,0,0|1,0,1]=4 13909 B13R0.1293 CCCCCC(=O)CC(=O)C(O)CC 1458a_100011196387_200012276598 [0,2,0,0,0,0|1,0,1]=4 13910 B13R0.1293 CCCCCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210326 [0,2,0,0,0,0|2,0,0]=4 13911 B13R0.1293 CCCCCC(=O)CN(C)C(C)CC 2230a_100000741768_200012276598 [0,2,0,0,0,0|2,0,0]=4 13912 B13R0.1293 CCCCCC(=O)CN(C)C(C)CC 269982a_100000741768_200012276598 [0,2,0,0,0,0|2,0,0]=4 13913 B13R0.1293 CCCCCC(C)OC(C)C(C)CC 7a_100011215189_200011218191 [0,2,0,0,0,0|1,0,1]=4 13914 B13R0.1293 CCCCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000182744 [0,2,0,0,0,0|1,0,1]=4 13915 B13R0.1293 CCCCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000182744 [0,2,0,0,0,0|1,0,1]=4 13916 B13R0.1293 CCCCNC(=O)CC(C)N(C)CC 1626a_100000102301_200015187196 [0,2,0,0,0,0|2,0,0]=4 13917 B13R0.1293 CCCCNC(=O)CC(C)N(C)CC 240690a_100000102301_200015187196 [0,2,0,0,0,0|2,0,0]=4 13918 B13R0.1293 CCCCNC(=O)CC(C)N(C)CC 527a_100000102301_200015187196 [0,2,0,0,0,0|2,0,0]=4 13919 B13R0.1293 CCCCNC(=O)CN(C)C(C)CC 2230a_100000741768_100000182744 [0,2,0,0,0,0|2,0,0]=4 13920 B13R0.1293 CCCCNC(=O)CN(C)C(C)CC 2230a_200000213093_100000758301 [0,2,0,0,0,0|2,0,0]=4 13921 B13R0.1293 CCCCNC(=O)CN(C)C(C)CC 269982a_100000741768_100000182744 [0,2,0,0,0,0|2,0,0]=4 13922 B13R0.1293 CCCCNC(=O)CN(C)C(C)CC 269982a_200000213093_100000758301 [0,2,0,0,0,0|2,0,0]=4 13923 B13R0.1293 CCCCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000211628 [0,2,0,0,0,0|0,0,1]=3 13924 B13R0.1293 CCCCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000211628 [0,2,0,0,0,0|1,0,1]=4 13925 B13R0.1293 CCCCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000211628 [0,2,0,0,0,0|1,0,1]=4 13926 B13R0.1293 CCCCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000211628 [0,2,0,0,0,0|0,0,1]=3 13927 B13R0.1293 CCCCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000211628 [0,2,0,0,0,0|1,0,1]=4 13928 B13R0.1293 CCCCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000211628 [0,2,0,0,0,0|1,0,0]=3 13929 B13R0.1293 CCCCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000211628 [0,2,0,0,0,0|1,0,0]=3 13930 B13R0.1293 CCCCOC(=O)CN(C)C(C)CO 2230a_100000693034_100000211628 [0,2,0,0,0,0|2,0,0]=4 13931 B13R0.1293 CCCCOC(=O)CN(C)C(C)CO 269982a_100000693034_100000211628 [0,2,0,0,0,0|2,0,0]=4 13932 B13R0.1521 C=C(CCC)CC(=O)NCC(C)CC 11a_100020588543_100000138376 [0,2,0,0,0,0|1,0,1]=4 13933 B13R0.1521 C=C(CCC)CC(=O)NCC(C)CC 240690a_100020588543_100000138376 [0,2,0,0,0,0|1,0,1]=4 13934 B13R0.1521 C=C(CCC)CC(=O)NCC(C)CC 527a_100020588543_100000138376 [0,2,0,0,0,0|1,0,1]=4 13935 B13R0.1521 C=C(CCC)CC(=O)NCC(O)CC 11a_100011218483_100000138376 [0,2,0,0,0,0|1,0,1]=4 13936 B13R0.1521 C=C(CCC)CC(=O)NCC(O)CC 240690a_100011218483_100000138376 [0,2,0,0,0,0|1,0,1]=4 13937 B13R0.1521 C=C(CCC)CC(=O)NCC(O)CC 527a_100011218483_100000138376 [0,2,0,0,0,0|1,0,1]=4 13938 B13R0.1521 CCC(C)CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000701222 [0,2,0,0,0,0|2,0,0]=4 13939 B13R0.1521 CCC(C)CCC(=O)N[C@H](C)CCO 527a_100000706166_100000701222 [0,2,0,0,0,0|2,0,0]=4 13940 B13R0.1521 CCC(C)CCC(=O)N[C@H](C)COC 11a_100000764878_100000701222 [0,2,0,0,0,0|2,0,0]=4 13941 B13R0.1521 CCC(C)CCC(=O)N[C@H](C)COC 1626a_100000764878_100000701222 [0,2,0,0,0,0|2,0,0]=4 13942 B13R0.1521 CCC(C)CCC(=O)N[C@H](C)COC 240690a_100000764878_100000701222 [0,2,0,0,0,0|2,0,0]=4 13943 B13R0.1521 CCC(C)CCC(=O)N[C@H](C)COC 527a_100000764878_100000701222 [0,2,0,0,0,0|2,0,0]=4 13944 B13R0.1521 CCC(O)CCC(=O)N[C@H](C)CCO 240690a_100000706166_203496584001 [0,2,0,0,0,0|2,0,0]=4 13945 B13R0.1521 CCC(O)CCC(=O)N[C@H](C)COC 1626a_100000764878_203496584001 [0,2,0,0,0,0|2,0,0]=4 13946 B13R0.1521 CCC(O)CCC(=O)N[C@H](C)COC 240690a_100000764878_203496584001 [0,2,0,0,0,0|2,0,0]=4 13947 B13R0.1521 CCCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747444 [0,2,0,0,0,0|1,0,1]=4 13948 B13R0.1521 CCCC(C)CC(=O)CCC(C)CC 1458a_100000701222_100011216630 [0,2,0,0,0,0|1,0,0]=3 13949 B13R0.1521 CCCC(C)CC(=O)CCN(C)CC 1458a_100000755305_100011216630 [0,2,0,0,0,0|2,0,0]=4 13950 B13R0.1521 CCCC(C)CC(=O)CCS(=O)CC 1458a_100011387550_100011216630 [0,2,0,0,0,0|2,0,0]=4 13951 B13R0.1521 CCCC(C)CC(=O)NCC(C)CC 11a_100020588543_100000748435 [0,2,0,0,0,0|1,0,0]=3 13952 B13R0.1521 CCCC(C)CC(=O)NCC(C)CC 1626a_100020588543_100000748435 [0,2,0,0,0,0|1,0,0]=3 13953 B13R0.1521 CCCC(C)CC(=O)NCC(C)CC 240690a_100020588543_100000748435 [0,2,0,0,0,0|1,0,0]=3 13954 B13R0.1521 CCCC(C)CC(=O)NCC(C)CC 527a_100020588543_100000748435 [0,2,0,0,0,0|1,0,0]=3 13955 B13R0.1521 CCCC(C)CC(=O)NCC(C)CO 240690a_100000744482_100000748435 [0,2,0,0,0,0|2,0,0]=4 13956 B13R0.1521 CCCC(C)CC(=O)NCC(C)CO 527a_100000744482_100000748435 [0,2,0,0,0,0|2,0,0]=4 13957 B13R0.1521 CCCC(C)CC(=O)NCC(O)CC 11a_100011218483_100000748435 [0,2,0,0,0,0|1,0,0]=3 13958 B13R0.1521 CCCC(C)CC(=O)NCC(O)CC 240690a_100011218483_100000748435 [0,2,0,0,0,0|1,0,0]=3 13959 B13R0.1521 CCCC(C)CC(=O)NCC(O)CC 527a_100011218483_100000748435 [0,2,0,0,0,0|1,0,0]=3 13960 B13R0.1521 CCCC(C)CC(=O)NC[C@@H](C)OC 11a_100020591295_100000748435 [0,2,0,0,0,0|2,0,0]=4 13961 B13R0.1521 CCCC(C)CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000748435 [0,2,0,0,0,0|2,0,0]=4 13962 B13R0.1521 CCCC(C)CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000748435 [0,2,0,0,0,0|2,0,0]=4 13963 B13R0.1521 CCCC(C)CC(=O)NC[C@@H](C)OC 527a_100020591295_100000748435 [0,2,0,0,0,0|2,0,0]=4 13964 B13R0.1521 CCCC(C)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000748435 [0,2,0,0,0,0|2,0,0]=4 13965 B13R0.1521 CCCC(C)CC(=O)NC[C@@H](F)CO 527a_100015665980_100000748435 [0,2,0,0,0,0|2,0,0]=4 13966 B13R0.1521 CCCC(C)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000748435 [0,2,0,0,0,0|2,0,0]=4 13967 B13R0.1521 CCCC(C)CC(=O)NC[C@H](O)CO 527a_100020644852_100000748435 [0,2,0,0,0,0|2,0,0]=4 13968 B13R0.1521 CCCC(C)CC(=O)NNC(C)CC 22a_100000718999_100000748435 [0,2,0,0,0,0|2,0,0]=4 13969 B13R0.1521 CCCC(C)NC(=O)CCC(C)CC 11a_100000741246_100000701222 [0,2,0,0,0,0|1,0,0]=3 13970 B13R0.1521 CCCC(C)NC(=O)CCC(C)CC 1626a_100000741246_100000701222 [0,2,0,0,0,0|1,0,0]=3 13971 B13R0.1521 CCCC(C)NC(=O)CCC(C)CC 240690a_100000741246_100000701222 [0,2,0,0,0,0|1,0,0]=3 13972 B13R0.1521 CCCC(C)NC(=O)CCC(C)CC 527a_100000741246_100000701222 [0,2,0,0,0,0|1,0,0]=3 13973 B13R0.1521 CCCC(C)NC(=O)CCC(O)CC 1626a_100000741246_203496584001 [0,2,0,0,0,0|1,0,0]=3 13974 B13R0.1521 CCCC(C)NC(=O)CCC(O)CC 240690a_100000741246_203496584001 [0,2,0,0,0,0|1,0,0]=3 13975 B13R0.1521 CCCC(C)NC(=O)CCN(C)CC 240690a_100000741246_100000755305 [0,2,0,0,0,0|2,0,0]=4 13976 B13R0.1521 CCCC(C)NC(=O)CCS(=O)CC 11a_100000741246_100011387550 [0,2,0,0,0,0|2,0,0]=4 13977 B13R0.1521 CCCC(C)NC(=O)CCS(=O)CC 1626a_100000741246_100011387550 [0,2,0,0,0,0|2,0,0]=4 13978 B13R0.1521 CCCC(C)NC(=O)CCS(=O)CC 240690a_100000741246_100011387550 [0,2,0,0,0,0|2,0,0]=4 13979 B13R0.1521 CCCC(C)NC(=O)CCS(=O)CC 527a_100000741246_100011387550 [0,2,0,0,0,0|2,0,0]=4 13980 B13R0.1521 CCCC(C)NC(=O)NCC(C)CC 2708a_100000741246_100020588543 [0,2,0,0,0,0|2,0,0]=4 13981 B13R0.1521 CCCC(C)NC(=O)NCC(C)CC 2708a_100020588543_100000741246 [0,2,0,0,0,0|2,0,0]=4 13982 B13R0.1521 CCCC(C)NC(=O)NCC(C)CC 273464a_100000741246_100020588543 [0,2,0,0,0,0|2,0,0]=4 13983 B13R0.1521 CCCC(C)NC(=O)NCC(C)CC 512a_100000741246_100020588543 [0,2,0,0,0,0|2,0,0]=4 13984 B13R0.1521 CCCC(C)NC(=O)NCC(C)CC 512a_100020588543_100000741246 [0,2,0,0,0,0|2,0,0]=4 13985 B13R0.1521 CCCC(C)NC(=O)NCC(O)CC 2708a_100000741246_100011218483 [0,2,0,0,0,0|2,0,0]=4 13986 B13R0.1521 CCCC(C)NC(=O)NCC(O)CC 273464a_100000741246_100011218483 [0,2,0,0,0,0|2,0,0]=4 13987 B13R0.1521 CCCC(C)NC(=O)NCC(O)CC 512a_100011218483_100000741246 [0,2,0,0,0,0|2,0,0]=4 13988 B13R0.1521 CCCC(C)OC(C)CCC(C)CC 7a_200011216552_100000766640 [0,2,0,0,0,0|1,0,1]=4 13989 B13R0.1521 CCCS(=O)CC(=O)NCC(C)CC 11a_100020588543_100011387404 [0,2,0,0,0,0|2,0,0]=4 13990 B13R0.1521 CCCS(=O)CC(=O)NCC(C)CC 1626a_100020588543_100011387404 [0,2,0,0,0,0|2,0,0]=4 13991 B13R0.1521 CCCS(=O)CC(=O)NCC(C)CC 240690a_100020588543_100011387404 [0,2,0,0,0,0|2,0,0]=4 13992 B13R0.1521 CCCS(=O)CC(=O)NCC(C)CC 527a_100020588543_100011387404 [0,2,0,0,0,0|2,0,0]=4 13993 B13R0.1521 CCCS(=O)CC(=O)NCC(O)CC 11a_100011218483_100011387404 [0,2,0,0,0,0|2,0,0]=4 13994 B13R0.1521 CCCS(=O)CC(=O)NCC(O)CC 240690a_100011218483_100011387404 [0,2,0,0,0,0|2,0,0]=4 13995 B13R0.1521 CCCS(=O)CC(=O)NCC(O)CC 527a_100011218483_100011387404 [0,2,0,0,0,0|2,0,0]=4 13996 B13R0.1521 CCSC(C)CC(=O)NCC(C)CC 11a_100020588543_200011311441 [0,2,0,0,0,0|2,0,0]=4 13997 B13R0.1521 CCSC(C)CC(=O)NCC(C)CC 1626a_100020588543_200011311441 [0,2,0,0,0,0|2,0,0]=4 13998 B13R0.1521 CCSC(C)CC(=O)NCC(C)CC 240690a_100020588543_200011311441 [0,2,0,0,0,0|2,0,0]=4 13999 B13R0.1521 CCSC(C)CC(=O)NCC(C)CC 527a_100020588543_200011311441 [0,2,0,0,0,0|2,0,0]=4 14000 B13R0.1521 CCSC(C)CC(=O)NCC(O)CC 11a_100011218483_200011311441 [0,2,0,0,0,0|2,0,0]=4 14001 B13R0.1521 CCSC(C)CC(=O)NCC(O)CC 240690a_100011218483_200011311441 [0,2,0,0,0,0|2,0,0]=4 14002 B13R0.1521 CCSC(C)CC(=O)NCC(O)CC 527a_100011218483_200011311441 [0,2,0,0,0,0|2,0,0]=4 14003 B13R0.139 C=C(C)COC(C)C(=O)OCCCC 34a_100000038973_100000748629 [0,2,0,0,0,0|1,0,1]=4 14004 B13R0.139 C=C(C)COC(C)C(=O)OCCCC 34a_100000210245_100000759602 [0,2,0,0,0,0|1,0,1]=4 14005 B13R0.139 C=C(C)COC(C)C(=O)OCCCC 7a_100000038973_100000748629 [0,2,0,0,0,0|1,0,1]=4 14006 B13R0.139 C=C(C)CSC(C)C(=O)OCCCC 62a_100000748629_100000759602 [0,2,0,0,0,0|1,0,1]=4 14007 B13R0.139 C=C(C)CSC(C)C(=O)OCCCC 62a_100000759602_100000211660 [0,2,0,0,0,0|1,0,1]=4 14008 B13R0.139 CC(C)CCC(C)C(=O)CCCCO 1458a_100000695505_100011261404 [0,2,0,0,0,0|2,0,0]=4 14009 B13R0.139 CC(C)CCN(C)C(=O)CCCCO 1626a_100000742789_100000695505 [0,2,0,0,0,0|2,0,0]=4 14010 B13R0.139 CCCC#CC(=O)C(C)CCC(C)C 1458a_200011218047_100011261404 [0,2,0,0,0,0|1,0,1]=4 14011 B13R0.139 CCCC=CC(=O)C(C)CCC(C)C 1458a_100000212230_100011261404 [0,2,0,0,0,0|1,0,1]=4 14012 B13R0.139 CCCCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210326 [0,2,0,0,0,0|2,0,0]=4 14013 B13R0.139 CCCCCC(=O)C(C)CCC(C)C 1458a_100000212188_100011261404 [0,2,0,0,0,0|1,0,0]=3 14014 B13R0.139 CCCCCC(=O)N(C)CCC(C)C 11a_100000742789_100000212188 [0,2,0,0,0,0|1,0,0]=3 14015 B13R0.139 CCCCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000212188 [0,2,0,0,0,0|1,0,0]=3 14016 B13R0.139 CCCCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000212188 [0,2,0,0,0,0|1,0,0]=3 14017 B13R0.139 CCCCCC(=O)N(C)CCC(C)C 527a_100000742789_100000212188 [0,2,0,0,0,0|1,0,0]=3 14018 B13R0.139 CCCCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000212188 [0,2,0,0,0,0|2,0,0]=4 14019 B13R0.139 CCCCCC(=O)N(C)CCN(C)C 527a_100000225618_100000212188 [0,2,0,0,0,0|2,0,0]=4 14020 B13R0.139 CCCCNC(=O)C(C)NCC(C)C 2230a_100000210953_100000735917 [0,2,0,0,0,0|2,0,0]=4 14021 B13R0.139 CCCCNC(=O)C(C)NCC(C)C 34a_100000210953_100000735917 [0,2,0,0,0,0|2,0,0]=4 14022 B13R0.139 CCCCNC(=O)C(C)NCC(C)O 2230a_100000210904_100000735917 [0,2,0,0,0,0|2,0,0]=4 14023 B13R0.139 CCCCNC(=O)C(C)NCC(C)O 34a_100000210904_100000735917 [0,2,0,0,0,0|2,0,0]=4 14024 B13R0.139 CCCCNC(=O)C(C)OCC(C)Br 34a_100012180447_100000735917 [0,2,0,0,0,0|2,0,0]=4 14025 B13R0.139 CCCCNC(=O)C(C)OCC(C)C 34a_100000210257_100000735917 [0,2,0,0,0,0|2,0,0]=4 14026 B13R0.139 CCCCNC(=O)C(C)OCC(C)F 34a_100015925927_100000735917 [0,2,0,0,0,0|2,0,0]=4 14027 B13R0.139 CCCCNC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000735917 [0,2,0,0,0,0|2,0,0]=4 14028 B13R0.139 CCCCNC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000735917 [0,2,0,0,0,0|2,0,0]=4 14029 B13R0.139 CCCCNC(=O)C(C)SCC(C)C 62a_100000210624_100000735917 [0,2,0,0,0,0|2,0,0]=4 14030 B13R0.139 CCCCNC(=O)C(C)SCC(C)C 62a_100000735917_100000210760 [0,2,0,0,0,0|2,0,0]=4 14031 B13R0.139 CCCCNC(=O)C(C)SCC(C)O 62a_100000735917_100011218427 [0,2,0,0,0,0|2,0,0]=4 14032 B13R0.139 CCCCNC(=O)C(C)SCC(C)O 62a_100011218427_100000735917 [0,2,0,0,0,0|2,0,0]=4 14033 B13R0.139 CCCCNC(=O)C(C)SC[C@@H](C)O 62a_100000735917_100009817552 [0,2,0,0,0,0|2,0,0]=4 14034 B13R0.139 CCCCNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000735917 [0,2,0,0,0,0|2,0,0]=4 14035 B13R0.139 CCCCNC(=O)N(C)CCC(C)C 2708a_100000102301_100000742789 [0,2,0,0,0,0|2,0,0]=4 14036 B13R0.139 CCCCNC(=O)N(C)CCC(C)C 273464a_100000102301_100000742789 [0,2,0,0,0,0|2,0,0]=4 14037 B13R0.139 CCCCOC(=O)C(C)NCC(C)C 2230a_100000210953_100000759602 [0,2,0,0,0,0|1,0,0]=3 14038 B13R0.139 CCCCOC(=O)C(C)NCC(C)C 34a_100000210953_100000759602 [0,2,0,0,0,0|1,0,0]=3 14039 B13R0.139 CCCCOC(=O)C(C)NCC(C)O 2230a_100000210904_100000759602 [0,2,0,0,0,0|1,0,0]=3 14040 B13R0.139 CCCCOC(=O)C(C)NCC(C)O 34a_100000210904_100000759602 [0,2,0,0,0,0|1,0,0]=3 14041 B13R0.139 CCCCOC(=O)C(C)NCC(F)F 34a_100000765723_100000759602 [0,2,0,0,0,0|2,0,0]=4 14042 B13R0.139 CCCCOC(=O)C(C)OCC(=O)C 34a_100000211253_100000759602 [0,2,0,0,0,0|1,0,1]=4 14043 B13R0.139 CCCCOC(=O)C(C)OCC(C)Br 34a_100012180447_100000759602 [0,2,0,0,0,0|1,0,0]=3 14044 B13R0.139 CCCCOC(=O)C(C)OCC(C)C 34a_100000038973_100000210624 [0,2,0,0,0,0|1,0,0]=3 14045 B13R0.139 CCCCOC(=O)C(C)OCC(C)C 34a_100000210257_100000759602 [0,2,0,0,0,0|1,0,0]=3 14046 B13R0.139 CCCCOC(=O)C(C)OCC(C)C 7a_100000038973_100000210760 [0,2,0,0,0,0|1,0,0]=3 14047 B13R0.139 CCCCOC(=O)C(C)OCC(C)F 34a_100015925927_100000759602 [0,2,0,0,0,0|1,0,0]=3 14048 B13R0.139 CCCCOC(=O)C(C)OCC(C)O 34a_100000038973_100011218427 [0,2,0,0,0,0|1,0,0]=3 14049 B13R0.139 CCCCOC(=O)C(C)OCC(C)O 7a_100000038973_100011218427 [0,2,0,0,0,0|1,0,0]=3 14050 B13R0.139 CCCCOC(=O)C(C)OCC(F)F 34a_100000038973_100011934356 [0,2,0,0,0,0|2,0,0]=4 14051 B13R0.139 CCCCOC(=O)C(C)OCC(F)F 34a_100000743014_100000759602 [0,2,0,0,0,0|2,0,0]=4 14052 B13R0.139 CCCCOC(=O)C(C)OCC(F)F 7a_100000038973_100011934356 [0,2,0,0,0,0|2,0,0]=4 14053 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000759602 [0,2,0,0,0,0|1,0,0]=3 14054 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000759602 [0,2,0,0,0,0|1,0,0]=3 14055 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)O 34a_100000038973_100009817552 [0,2,0,0,0,0|1,0,0]=3 14056 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)O 7a_100000038973_100009817552 [0,2,0,0,0,0|1,0,0]=3 14057 B13R0.139 CCCCOC(=O)C(C)SCC(C)C 62a_100000210624_100000759602 [0,2,0,0,0,0|1,0,0]=3 14058 B13R0.139 CCCCOC(=O)C(C)SCC(C)C 62a_100000759602_100000210760 [0,2,0,0,0,0|1,0,0]=3 14059 B13R0.139 CCCCOC(=O)C(C)SCC(C)O 62a_100000759602_100011218427 [0,2,0,0,0,0|1,0,0]=3 14060 B13R0.139 CCCCOC(=O)C(C)SCC(C)O 62a_100011218427_100000759602 [0,2,0,0,0,0|1,0,0]=3 14061 B13R0.139 CCCCOC(=O)C(C)SCC(F)F 62a_100000759602_100011934356 [0,2,0,0,0,0|2,0,0]=4 14062 B13R0.139 CCCCOC(=O)C(C)SCC(F)F 62a_100011934356_100000759602 [0,2,0,0,0,0|2,0,0]=4 14063 B13R0.139 CCCCOC(=O)C(C)SC[C@@H](C)O 62a_100000759602_100009817552 [0,2,0,0,0,0|1,0,0]=3 14064 B13R0.139 CCCCOC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000759602 [0,2,0,0,0,0|1,0,0]=3 14065 B13R0.139 CCCOCC(=O)C(C)CCC(C)C 1458a_100000745993_100011261404 [0,2,0,0,0,0|2,0,0]=4 14066 B13R0.139 CCCOCC(=O)N(C)CCC(C)C 11a_100000742789_100000745993 [0,2,0,0,0,0|2,0,0]=4 14067 B13R0.139 CCCOCC(=O)N(C)CCC(C)C 1626a_100000742789_100000745993 [0,2,0,0,0,0|2,0,0]=4 14068 B13R0.139 CCCOCC(=O)N(C)CCC(C)C 240690a_100000742789_100000745993 [0,2,0,0,0,0|2,0,0]=4 14069 B13R0.139 CCCOCC(=O)N(C)CCC(C)C 527a_100000742789_100000745993 [0,2,0,0,0,0|2,0,0]=4 14070 B13R0.139 CCCSCC(=O)C(C)CCC(C)C 1458a_100000217233_100011261404 [0,2,0,0,0,0|2,0,0]=4 14071 B13R0.139 CCCSCC(=O)N(C)CCC(C)C 11a_100000742789_100000217233 [0,2,0,0,0,0|2,0,0]=4 14072 B13R0.139 CCCSCC(=O)N(C)CCC(C)C 1626a_100000742789_100000217233 [0,2,0,0,0,0|2,0,0]=4 14073 B13R0.139 CCCSCC(=O)N(C)CCC(C)C 240690a_100000742789_100000217233 [0,2,0,0,0,0|2,0,0]=4 14074 B13R0.139 CCCSCC(=O)N(C)CCC(C)C 527a_100000742789_100000217233 [0,2,0,0,0,0|2,0,0]=4 14075 B13R0.139 CCOCCC(=O)C(C)CCC(C)C 1458a_100000749530_100011261404 [0,2,0,0,0,0|2,0,0]=4 14076 B13R0.139 CCOCCC(=O)N(C)CCC(C)C 11a_100000742789_100000749530 [0,2,0,0,0,0|2,0,0]=4 14077 B13R0.139 CCOCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000749530 [0,2,0,0,0,0|2,0,0]=4 14078 B13R0.139 CCOCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000749530 [0,2,0,0,0,0|2,0,0]=4 14079 B13R0.139 CCOCCC(=O)N(C)CCC(C)C 527a_100000742789_100000749530 [0,2,0,0,0,0|2,0,0]=4 14080 B13R0.139 CCSCCC(=O)C(C)CCC(C)C 1458a_100000230768_100011261404 [0,2,0,0,0,0|2,0,0]=4 14081 B13R0.139 CCSCCC(=O)N(C)CCC(C)C 11a_100000742789_100000230768 [0,2,0,0,0,0|2,0,0]=4 14082 B13R0.139 CCSCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000230768 [0,2,0,0,0,0|2,0,0]=4 14083 B13R0.139 CCSCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000230768 [0,2,0,0,0,0|2,0,0]=4 14084 B13R0.139 CCSCCC(=O)N(C)CCC(C)C 527a_100000742789_100000230768 [0,2,0,0,0,0|2,0,0]=4 14085 B13R0.139 COCCCC(=O)C(C)CCC(C)C 1458a_100000741012_100011261404 [0,2,0,0,0,0|2,0,0]=4 14086 B13R0.139 COCCCC(=O)N(C)CCC(C)C 11a_100000742789_100000741012 [0,2,0,0,0,0|2,0,0]=4 14087 B13R0.139 COCCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000741012 [0,2,0,0,0,0|2,0,0]=4 14088 B13R0.139 COCCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000741012 [0,2,0,0,0,0|2,0,0]=4 14089 B13R0.139 COCCCC(=O)N(C)CCC(C)C 527a_100000742789_100000741012 [0,2,0,0,0,0|2,0,0]=4 14090 B13R0.139 CSCCCC(=O)C(C)CCC(C)C 1458a_100000173376_100011261404 [0,2,0,0,0,0|2,0,0]=4 14091 B13R0.139 CSCCCC(=O)N(C)CCC(C)C 11a_100000742789_100000173376 [0,2,0,0,0,0|2,0,0]=4 14092 B13R0.139 CSCCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000173376 [0,2,0,0,0,0|2,0,0]=4 14093 B13R0.139 CSCCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000173376 [0,2,0,0,0,0|2,0,0]=4 14094 B13R0.139 CSCCCC(=O)N(C)CCC(C)C 527a_100000742789_100000173376 [0,2,0,0,0,0|2,0,0]=4 14095 B13R0.196 CC(C)(C)CCNC(=O)CCCCO 1626a_100000738805_100000695505 [0,2,0,0,0,0|2,0,0]=4 14096 B13R0.196 CC(C)(F)CCNC(=O)CCCCO 1626a_100016253952_100000695505 [0,2,0,0,0,0|2,0,0]=4 14097 B13R0.196 CC(C)(O)CCNC(=O)CCCCO 1626a_100000707701_100000695505 [0,2,0,0,0,0|2,0,0]=4 14098 B13R0.196 CCCCCC(=O)CCCC(F)(F)F 1458a_100000212188_100011216173 [0,2,0,0,0,0|2,0,0]=4 14099 B13R0.196 CCCCCC(=O)CCCC(F)(F)F 1458a_100000764234_100000210326 [0,2,0,0,0,0|2,0,0]=4 14100 B13R0.196 CCCCCC(=O)CCCS(=O)(=O)C 1458a_100000212188_100000754308 [0,2,0,0,0,0|2,0,0]=4 14101 B13R0.196 CCCCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210326 [0,2,0,0,0,0|2,0,0]=4 14102 B13R0.196 CCCCCC(=O)CCC[N+](C)(C)C 1458a_100000212188_100016990835 [0,2,0,0,0,0|2,0,0]=4 14103 B13R0.196 CCCCCC(=O)CCC[Si](C)(C)C 1458a_100000212188_100011219597 [0,2,0,0,0,0|1,1,0]=4 14104 B13R0.196 CCCCCC(=O)CNCC(C)(C)C 2230a_100000743828_200012276598 [0,2,0,0,0,0|2,0,0]=4 14105 B13R0.196 CCCCCC(=O)CNCC(C)(C)F 2230a_100020643315_200012276598 [0,2,0,0,0,0|2,0,0]=4 14106 B13R0.196 CCCCCC(=O)CNCC(C)(C)O 2230a_100000751335_200012276598 [0,2,0,0,0,0|2,0,0]=4 14107 B13R0.196 CCCCCC(=O)COCC(C)(C)F 34a_100000716592_200012276598 [0,2,0,0,0,0|2,0,0]=4 14108 B13R0.196 CCCCCC(=O)COCC(C)(F)F 34a_100000068830_200012276598 [0,2,0,0,0,0|2,0,0]=4 14109 B13R0.196 CCCCCC(=O)CSCC(C)(C)C 62a_100011219605_200012276598 [0,2,0,0,0,0|2,0,0]=4 14110 B13R0.196 CCCCCC(=O)CSCC(C)(C)C 62a_200012276598_100011219605 [0,2,0,0,0,0|2,0,0]=4 14111 B13R0.196 CCCCCC(=O)CSCC(C)(C)F 62a_100011997219_200012276598 [0,2,0,0,0,0|2,0,0]=4 14112 B13R0.196 CCCCCC(=O)CSCC(C)(C)F 62a_200012276598_100011997219 [0,2,0,0,0,0|2,0,0]=4 14113 B13R0.196 CCCCCC(=O)CSCC(C)(C)O 62a_100000764493_200012276598 [0,2,0,0,0,0|2,0,0]=4 14114 B13R0.196 CCCCCC(=O)CSCC(C)(C)O 62a_200012276598_100000764493 [0,2,0,0,0,0|2,0,0]=4 14115 B13R0.196 CCCCCC(=O)NCCC(C)(C)C 11a_100000738805_100000212188 [0,2,0,0,0,0|1,0,0]=3 14116 B13R0.196 CCCCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000212188 [0,2,0,0,0,0|1,0,0]=3 14117 B13R0.196 CCCCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000212188 [0,2,0,0,0,0|1,0,0]=3 14118 B13R0.196 CCCCCC(=O)NCCC(C)(C)C 527a_100000738805_100000212188 [0,2,0,0,0,0|1,0,0]=3 14119 B13R0.196 CCCCCC(=O)NCCC(C)(C)F 11a_100016253952_100000212188 [0,2,0,0,0,0|1,0,0]=3 14120 B13R0.196 CCCCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000212188 [0,2,0,0,0,0|1,0,0]=3 14121 B13R0.196 CCCCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000212188 [0,2,0,0,0,0|1,0,0]=3 14122 B13R0.196 CCCCCC(=O)NCCC(C)(C)F 527a_100016253952_100000212188 [0,2,0,0,0,0|1,0,0]=3 14123 B13R0.196 CCCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000212188 [0,2,0,0,0,0|1,0,0]=3 14124 B13R0.196 CCCCCC(=O)NCCC(C)(C)O 527a_100000707701_100000212188 [0,2,0,0,0,0|1,0,0]=3 14125 B13R0.196 CCCCCC(=O)NCCC(F)(F)F 11a_100000740434_100000212188 [0,2,0,0,0,0|2,0,0]=4 14126 B13R0.196 CCCCCC(=O)NCCC(F)(F)F 1626a_100000740434_100000212188 [0,2,0,0,0,0|2,0,0]=4 14127 B13R0.196 CCCCCC(=O)NCCC(F)(F)F 240690a_100000740434_100000212188 [0,2,0,0,0,0|2,0,0]=4 14128 B13R0.196 CCCCCC(=O)NCCC(F)(F)F 527a_100000740434_100000212188 [0,2,0,0,0,0|2,0,0]=4 14129 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000212188 [0,2,0,0,0,0|2,0,0]=4 14130 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000212188 [0,2,0,0,0,0|2,0,0]=4 14131 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000212188 [0,2,0,0,0,0|2,0,0]=4 14132 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 527a_100000740961_100000212188 [0,2,0,0,0,0|2,0,0]=4 14133 B13R0.196 CCCCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000212188 [0,2,0,0,0,0|2,0,0]=4 14134 B13R0.196 CCCCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000212188 [0,2,0,0,0,0|2,0,0]=4 14135 B13R0.196 CCCCCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000212188 [0,2,0,0,0,0|2,0,0]=4 14136 B13R0.196 CCCCCC(C)OCCC(C)(C)C 34a_100011215632_100000755188 [0,2,0,0,0,0|1,0,1]=4 14137 B13R0.196 CCCCCC(C)OCCC(C)(C)C 7a_100000765024_200011218191 [0,2,0,0,0,0|1,0,1]=4 14138 B13R0.196 CCCCCC(C)OCCC(C)(C)C 7a_100011215632_100000755188 [0,2,0,0,0,0|1,0,1]=4 14139 B13R0.196 CCCCCC(C)OCCC(C)(C)O 34a_100011215632_100000702414 [0,2,0,0,0,0|1,0,1]=4 14140 B13R0.196 CCCCCC(C)OCCC(C)(C)O 7a_100011215632_100000702414 [0,2,0,0,0,0|1,0,1]=4 14141 B13R0.196 CCCCNC(=O)CCCC(F)(F)F 11a_100000102301_100000764234 [0,2,0,0,0,0|2,0,0]=4 14142 B13R0.196 CCCCNC(=O)CCCC(F)(F)F 1626a_100000102301_100000764234 [0,2,0,0,0,0|2,0,0]=4 14143 B13R0.196 CCCCNC(=O)CCCC(F)(F)F 240690a_100000102301_100000764234 [0,2,0,0,0,0|2,0,0]=4 14144 B13R0.196 CCCCNC(=O)CCCC(F)(F)F 527a_100000102301_100000764234 [0,2,0,0,0,0|2,0,0]=4 14145 B13R0.196 CCCCNC(=O)CCC[N+](C)(C)C 11a_100000102301_100000085584 [0,2,0,0,0,0|2,0,0]=4 14146 B13R0.196 CCCCNC(=O)CCC[N+](C)(C)C 1626a_100000102301_100000085584 [0,2,0,0,0,0|2,0,0]=4 14147 B13R0.196 CCCCNC(=O)CCC[N+](C)(C)C 240690a_100000102301_100000085584 [0,2,0,0,0,0|2,0,0]=4 14148 B13R0.196 CCCCNC(=O)CCC[N+](C)(C)C 527a_100000102301_100000085584 [0,2,0,0,0,0|2,0,0]=4 14149 B13R0.196 CCCCNC(=O)CNCC(C)(C)C 2230a_100000743828_100000182744 [0,2,0,0,0,0|2,0,0]=4 14150 B13R0.196 CCCCNC(=O)CNCC(C)(C)F 2230a_100020643315_100000182744 [0,2,0,0,0,0|2,0,0]=4 14151 B13R0.196 CCCCNC(=O)CNCC(C)(C)O 2230a_100000751335_100000182744 [0,2,0,0,0,0|2,0,0]=4 14152 B13R0.196 CCCCNC(=O)COCC(C)(C)F 34a_100000716592_100000182744 [0,2,0,0,0,0|2,0,0]=4 14153 B13R0.196 CCCCNC(=O)COCC(C)(F)F 34a_100000068830_100000182744 [0,2,0,0,0,0|2,0,0]=4 14154 B13R0.196 CCCCNC(=O)CSCC(C)(C)C 62a_100000182744_100011219605 [0,2,0,0,0,0|2,0,0]=4 14155 B13R0.196 CCCCNC(=O)CSCC(C)(C)C 62a_100011219605_100000182744 [0,2,0,0,0,0|2,0,0]=4 14156 B13R0.196 CCCCNC(=O)CSCC(C)(C)F 62a_100000182744_100011997219 [0,2,0,0,0,0|2,0,0]=4 14157 B13R0.196 CCCCNC(=O)CSCC(C)(C)F 62a_100011997219_100000182744 [0,2,0,0,0,0|2,0,0]=4 14158 B13R0.196 CCCCNC(=O)CSCC(C)(C)O 62a_100000182744_100000764493 [0,2,0,0,0,0|2,0,0]=4 14159 B13R0.196 CCCCNC(=O)CSCC(C)(C)O 62a_100000764493_100000182744 [0,2,0,0,0,0|2,0,0]=4 14160 B13R0.196 CCCCNC(=O)NCCC(C)(C)C 2708a_100000102301_100000738805 [0,2,0,0,0,0|2,0,0]=4 14161 B13R0.196 CCCCNC(=O)NCCC(C)(C)C 2708a_100000738805_100000102301 [0,2,0,0,0,0|2,0,0]=4 14162 B13R0.196 CCCCNC(=O)NCCC(C)(C)C 273464a_100000102301_100000738805 [0,2,0,0,0,0|2,0,0]=4 14163 B13R0.196 CCCCNC(=O)NCCC(C)(C)C 273464a_100000738805_100000102301 [0,2,0,0,0,0|2,0,0]=4 14164 B13R0.196 CCCCNC(=O)NCCC(C)(C)C 512a_100000102301_100000738805 [0,2,0,0,0,0|2,0,0]=4 14165 B13R0.196 CCCCNC(=O)NCCC(C)(C)C 512a_100000738805_100000102301 [0,2,0,0,0,0|2,0,0]=4 14166 B13R0.196 CCCCNC(=O)NCCC(C)(C)F 2708a_100000102301_100016253952 [0,2,0,0,0,0|2,0,0]=4 14167 B13R0.196 CCCCNC(=O)NCCC(C)(C)F 2708a_100016253952_100000102301 [0,2,0,0,0,0|2,0,0]=4 14168 B13R0.196 CCCCNC(=O)NCCC(C)(C)F 273464a_100000102301_100016253952 [0,2,0,0,0,0|2,0,0]=4 14169 B13R0.196 CCCCNC(=O)NCCC(C)(C)F 273464a_100016253952_100000102301 [0,2,0,0,0,0|2,0,0]=4 14170 B13R0.196 CCCCNC(=O)NCCC(C)(C)F 512a_100000102301_100016253952 [0,2,0,0,0,0|2,0,0]=4 14171 B13R0.196 CCCCNC(=O)NCCC(C)(C)F 512a_100016253952_100000102301 [0,2,0,0,0,0|2,0,0]=4 14172 B13R0.196 CCCCNC(=O)NCCC(C)(C)O 2708a_100000102301_100000707701 [0,2,0,0,0,0|2,0,0]=4 14173 B13R0.196 CCCCNC(=O)NCCC(C)(C)O 2708a_100000707701_100000102301 [0,2,0,0,0,0|2,0,0]=4 14174 B13R0.196 CCCCNC(=O)NCCC(C)(C)O 273464a_100000102301_100000707701 [0,2,0,0,0,0|2,0,0]=4 14175 B13R0.196 CCCCNC(=O)NCCC(C)(C)O 273464a_100000707701_100000102301 [0,2,0,0,0,0|2,0,0]=4 14176 B13R0.196 CCCCNC(=O)NCCC(C)(C)O 512a_100000102301_100000707701 [0,2,0,0,0,0|2,0,0]=4 14177 B13R0.196 CCCCNC(=O)NCCC(C)(C)O 512a_100000707701_100000102301 [0,2,0,0,0,0|2,0,0]=4 14178 B13R0.196 CCCCOC(=O)CNCC(C)(C)C 2230a_100000743828_100000211628 [0,2,0,0,0,0|1,0,0]=3 14179 B13R0.196 CCCCOC(=O)CNCC(C)(C)F 2230a_100020643315_100000211628 [0,2,0,0,0,0|1,0,0]=3 14180 B13R0.196 CCCCOC(=O)CNCC(C)(C)O 2230a_100000751335_100000211628 [0,2,0,0,0,0|1,0,0]=3 14181 B13R0.196 CCCCOC(=O)CNCC(F)(F)F 34a_100000717047_100000211628 [0,2,0,0,0,0|2,0,0]=4 14182 B13R0.196 CCCCOC(=O)COCC(C)(C)F 34a_100000716592_100000211628 [0,2,0,0,0,0|1,0,0]=3 14183 B13R0.196 CCCCOC(=O)COCC(C)(F)F 34a_100000068830_100000211628 [0,2,0,0,0,0|1,0,0]=3 14184 B13R0.196 CCCCOC(=O)COCC(F)(F)Br 34a_100011217949_100000211628 [0,2,0,0,0,0|2,0,0]=4 14185 B13R0.196 CCCCOC(=O)COCC(F)(F)Cl 34a_100000734434_100000211628 [0,2,0,0,0,0|2,0,0]=4 14186 B13R0.196 CCCCOC(=O)COCC(F)(F)F 34a_100000210435_100000211628 [0,2,0,0,0,0|2,0,0]=4 14187 B13R0.196 CCCCOC(=O)CSCC(C)(C)C 62a_100000211628_100011219605 [0,2,0,0,0,0|1,0,0]=3 14188 B13R0.196 CCCCOC(=O)CSCC(C)(C)C 62a_100011219605_100000211628 [0,2,0,0,0,0|1,0,0]=3 14189 B13R0.196 CCCCOC(=O)CSCC(C)(C)F 62a_100000211628_100011997219 [0,2,0,0,0,0|1,0,0]=3 14190 B13R0.196 CCCCOC(=O)CSCC(C)(C)F 62a_100011997219_100000211628 [0,2,0,0,0,0|1,0,0]=3 14191 B13R0.196 CCCCOC(=O)CSCC(C)(C)O 62a_100000211628_100000764493 [0,2,0,0,0,0|1,0,0]=3 14192 B13R0.196 CCCCOC(=O)CSCC(C)(C)O 62a_100000764493_100000211628 [0,2,0,0,0,0|1,0,0]=3 14193 B13R0.196 CCCCOC(=O)CSCC(F)(F)F 62a_100000211628_100000763148 [0,2,0,0,0,0|2,0,0]=4 14194 B13R0.196 CCCCOC(=O)CSCC(F)(F)F 62a_100000763148_100000211628 [0,2,0,0,0,0|2,0,0]=4 14195 B13R0.196 CCCCOC(=O)CSC[N+](C)(C)C 62a_100000211628_200000036245 [0,2,0,0,0,0|2,0,0]=4 14196 B13R0.196 CCCCOC(=O)CSC[N+](C)(C)C 62a_200000036245_100000211628 [0,2,0,0,0,0|2,0,0]=4 14197 B13R0.196 CCCCOC(=O)CSC[Si](C)(C)C 62a_100000037933_100000211628 [0,2,0,0,0,0|1,1,0]=4 14198 B13R0.196 CCCCOC(=O)CSC[Si](C)(C)C 62a_100000211628_100000037933 [0,2,0,0,0,0|1,1,0]=4 14199 B13R0.196 CCCOCC(=O)NCCC(C)(C)C 11a_100000738805_100000745993 [0,2,0,0,0,0|2,0,0]=4 14200 B13R0.196 CCCOCC(=O)NCCC(C)(C)C 1626a_100000738805_100000745993 [0,2,0,0,0,0|2,0,0]=4 14201 B13R0.196 CCCOCC(=O)NCCC(C)(C)C 240690a_100000738805_100000745993 [0,2,0,0,0,0|2,0,0]=4 14202 B13R0.196 CCCOCC(=O)NCCC(C)(C)C 527a_100000738805_100000745993 [0,2,0,0,0,0|2,0,0]=4 14203 B13R0.196 CCCOCC(=O)NCCC(C)(C)F 11a_100016253952_100000745993 [0,2,0,0,0,0|2,0,0]=4 14204 B13R0.196 CCCOCC(=O)NCCC(C)(C)F 1626a_100016253952_100000745993 [0,2,0,0,0,0|2,0,0]=4 14205 B13R0.196 CCCOCC(=O)NCCC(C)(C)F 240690a_100016253952_100000745993 [0,2,0,0,0,0|2,0,0]=4 14206 B13R0.196 CCCOCC(=O)NCCC(C)(C)F 527a_100016253952_100000745993 [0,2,0,0,0,0|2,0,0]=4 14207 B13R0.196 CCCOCC(=O)NCCC(C)(C)O 1626a_100000707701_100000745993 [0,2,0,0,0,0|2,0,0]=4 14208 B13R0.196 CCCOCC(=O)NCCC(C)(C)O 527a_100000707701_100000745993 [0,2,0,0,0,0|2,0,0]=4 14209 B13R0.196 CCCSCC(=O)NCCC(C)(C)C 11a_100000738805_100000217233 [0,2,0,0,0,0|2,0,0]=4 14210 B13R0.196 CCCSCC(=O)NCCC(C)(C)C 1626a_100000738805_100000217233 [0,2,0,0,0,0|2,0,0]=4 14211 B13R0.196 CCCSCC(=O)NCCC(C)(C)C 240690a_100000738805_100000217233 [0,2,0,0,0,0|2,0,0]=4 14212 B13R0.196 CCCSCC(=O)NCCC(C)(C)C 527a_100000738805_100000217233 [0,2,0,0,0,0|2,0,0]=4 14213 B13R0.196 CCCSCC(=O)NCCC(C)(C)F 11a_100016253952_100000217233 [0,2,0,0,0,0|2,0,0]=4 14214 B13R0.196 CCCSCC(=O)NCCC(C)(C)F 1626a_100016253952_100000217233 [0,2,0,0,0,0|2,0,0]=4 14215 B13R0.196 CCCSCC(=O)NCCC(C)(C)F 240690a_100016253952_100000217233 [0,2,0,0,0,0|2,0,0]=4 14216 B13R0.196 CCCSCC(=O)NCCC(C)(C)F 527a_100016253952_100000217233 [0,2,0,0,0,0|2,0,0]=4 14217 B13R0.196 CCCSCC(=O)NCCC(C)(C)O 1626a_100000707701_100000217233 [0,2,0,0,0,0|2,0,0]=4 14218 B13R0.196 CCCSCC(=O)NCCC(C)(C)O 527a_100000707701_100000217233 [0,2,0,0,0,0|2,0,0]=4 14219 B13R0.196 CCOCCC(=O)NCCC(C)(C)C 11a_100000738805_100000749530 [0,2,0,0,0,0|2,0,0]=4 14220 B13R0.196 CCOCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000749530 [0,2,0,0,0,0|2,0,0]=4 14221 B13R0.196 CCOCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000749530 [0,2,0,0,0,0|2,0,0]=4 14222 B13R0.196 CCOCCC(=O)NCCC(C)(C)C 527a_100000738805_100000749530 [0,2,0,0,0,0|2,0,0]=4 14223 B13R0.196 CCOCCC(=O)NCCC(C)(C)F 11a_100016253952_100000749530 [0,2,0,0,0,0|2,0,0]=4 14224 B13R0.196 CCOCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000749530 [0,2,0,0,0,0|2,0,0]=4 14225 B13R0.196 CCOCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000749530 [0,2,0,0,0,0|2,0,0]=4 14226 B13R0.196 CCOCCC(=O)NCCC(C)(C)F 527a_100016253952_100000749530 [0,2,0,0,0,0|2,0,0]=4 14227 B13R0.196 CCOCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000749530 [0,2,0,0,0,0|2,0,0]=4 14228 B13R0.196 CCOCCC(=O)NCCC(C)(C)O 527a_100000707701_100000749530 [0,2,0,0,0,0|2,0,0]=4 14229 B13R0.196 CCSCCC(=O)NCCC(C)(C)C 11a_100000738805_100000230768 [0,2,0,0,0,0|2,0,0]=4 14230 B13R0.196 CCSCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000230768 [0,2,0,0,0,0|2,0,0]=4 14231 B13R0.196 CCSCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000230768 [0,2,0,0,0,0|2,0,0]=4 14232 B13R0.196 CCSCCC(=O)NCCC(C)(C)C 527a_100000738805_100000230768 [0,2,0,0,0,0|2,0,0]=4 14233 B13R0.196 CCSCCC(=O)NCCC(C)(C)F 11a_100016253952_100000230768 [0,2,0,0,0,0|2,0,0]=4 14234 B13R0.196 CCSCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000230768 [0,2,0,0,0,0|2,0,0]=4 14235 B13R0.196 CCSCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000230768 [0,2,0,0,0,0|2,0,0]=4 14236 B13R0.196 CCSCCC(=O)NCCC(C)(C)F 527a_100016253952_100000230768 [0,2,0,0,0,0|2,0,0]=4 14237 B13R0.196 CCSCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000230768 [0,2,0,0,0,0|2,0,0]=4 14238 B13R0.196 CCSCCC(=O)NCCC(C)(C)O 527a_100000707701_100000230768 [0,2,0,0,0,0|2,0,0]=4 14239 B13R0.196 COCCCC(=O)NCCC(C)(C)C 11a_100000738805_100000741012 [0,2,0,0,0,0|2,0,0]=4 14240 B13R0.196 COCCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000741012 [0,2,0,0,0,0|2,0,0]=4 14241 B13R0.196 COCCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000741012 [0,2,0,0,0,0|2,0,0]=4 14242 B13R0.196 COCCCC(=O)NCCC(C)(C)C 527a_100000738805_100000741012 [0,2,0,0,0,0|2,0,0]=4 14243 B13R0.196 COCCCC(=O)NCCC(C)(C)F 11a_100016253952_100000741012 [0,2,0,0,0,0|2,0,0]=4 14244 B13R0.196 COCCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000741012 [0,2,0,0,0,0|2,0,0]=4 14245 B13R0.196 COCCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000741012 [0,2,0,0,0,0|2,0,0]=4 14246 B13R0.196 COCCCC(=O)NCCC(C)(C)F 527a_100016253952_100000741012 [0,2,0,0,0,0|2,0,0]=4 14247 B13R0.196 COCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000741012 [0,2,0,0,0,0|2,0,0]=4 14248 B13R0.196 COCCCC(=O)NCCC(C)(C)O 527a_100000707701_100000741012 [0,2,0,0,0,0|2,0,0]=4 14249 B13R0.196 COCCOC(=O)CNCC(C)(C)C 2230a_100000743828_200000040189 [0,2,0,0,0,0|2,0,0]=4 14250 B13R0.196 COCCOC(=O)CNCC(C)(C)F 2230a_100020643315_200000040189 [0,2,0,0,0,0|2,0,0]=4 14251 B13R0.196 COCCOC(=O)CNCC(C)(C)O 2230a_100000751335_200000040189 [0,2,0,0,0,0|2,0,0]=4 14252 B13R0.196 COCCOC(=O)COCC(C)(C)F 34a_100000716592_200000040189 [0,2,0,0,0,0|2,0,0]=4 14253 B13R0.196 COCCOC(=O)COCC(C)(F)F 34a_100000068830_200000040189 [0,2,0,0,0,0|2,0,0]=4 14254 B13R0.196 COCCOC(=O)CSCC(C)(C)C 62a_100011219605_200000040189 [0,2,0,0,0,0|2,0,0]=4 14255 B13R0.196 COCCOC(=O)CSCC(C)(C)C 62a_200000040189_100011219605 [0,2,0,0,0,0|2,0,0]=4 14256 B13R0.196 COCCOC(=O)CSCC(C)(C)F 62a_100011997219_200000040189 [0,2,0,0,0,0|2,0,0]=4 14257 B13R0.196 COCCOC(=O)CSCC(C)(C)F 62a_200000040189_100011997219 [0,2,0,0,0,0|2,0,0]=4 14258 B13R0.196 COCCOC(=O)CSCC(C)(C)O 62a_100000764493_200000040189 [0,2,0,0,0,0|2,0,0]=4 14259 B13R0.196 COCCOC(=O)CSCC(C)(C)O 62a_200000040189_100000764493 [0,2,0,0,0,0|2,0,0]=4 14260 B13R0.196 CSCCCC(=O)NCCC(C)(C)C 11a_100000738805_100000173376 [0,2,0,0,0,0|2,0,0]=4 14261 B13R0.196 CSCCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000173376 [0,2,0,0,0,0|2,0,0]=4 14262 B13R0.196 CSCCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000173376 [0,2,0,0,0,0|2,0,0]=4 14263 B13R0.196 CSCCCC(=O)NCCC(C)(C)C 527a_100000738805_100000173376 [0,2,0,0,0,0|2,0,0]=4 14264 B13R0.196 CSCCCC(=O)NCCC(C)(C)F 11a_100016253952_100000173376 [0,2,0,0,0,0|2,0,0]=4 14265 B13R0.196 CSCCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000173376 [0,2,0,0,0,0|2,0,0]=4 14266 B13R0.196 CSCCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000173376 [0,2,0,0,0,0|2,0,0]=4 14267 B13R0.196 CSCCCC(=O)NCCC(C)(C)F 527a_100016253952_100000173376 [0,2,0,0,0,0|2,0,0]=4 14268 B13R0.196 CSCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000173376 [0,2,0,0,0,0|2,0,0]=4 14269 B13R0.196 CSCCCC(=O)NCCC(C)(C)O 527a_100000707701_100000173376 [0,2,0,0,0,0|2,0,0]=4 14270 B13R0.331 C=C(CCC)CC(=O)CCCC(C)C 1458a_100000138376_100011214892 [0,2,0,0,0,0|1,0,1]=4 14271 B13R0.331 C=C(CCC)CC(=O)CCCC(C)O 1458a_100000138376_200000718107 [0,2,0,0,0,0|1,0,1]=4 14272 B13R0.331 C=C(CCC)CC(=O)NCCC(C)C 11a_100000210545_100000138376 [0,2,0,0,0,0|1,0,1]=4 14273 B13R0.331 C=C(CCC)CC(=O)NCCC(C)C 240690a_100000210545_100000138376 [0,2,0,0,0,0|1,0,1]=4 14274 B13R0.331 C=C(CCC)CC(=O)NCCC(C)C 527a_100000210545_100000138376 [0,2,0,0,0,0|1,0,1]=4 14275 B13R0.331 C=C(CCC)CC(=O)NCCC(C)O 240690a_200000755665_100000138376 [0,2,0,0,0,0|1,0,1]=4 14276 B13R0.331 C=C(CCC)CC(=O)NCCC(C)O 527a_200000755665_100000138376 [0,2,0,0,0,0|1,0,1]=4 14277 B13R0.331 CC(C)CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100011216857 [0,2,0,0,0,0|2,0,0]=4 14278 B13R0.331 CC(C)CCCC(=O)N[C@H](C)CCO 527a_100000706166_100011216857 [0,2,0,0,0,0|2,0,0]=4 14279 B13R0.331 CC(O)CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000761597 [0,2,0,0,0,0|2,0,0]=4 14280 B13R0.331 CCCC(=CC(=O)CCCC(C)C)C 1458a_100020676950_100011214892 [0,2,0,0,0,0|1,0,1]=4 14281 B13R0.331 CCCC(=CC(=O)CCCC(C)O)C 1458a_100020676950_200000718107 [0,2,0,0,0,0|1,0,1]=4 14282 B13R0.331 CCCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747444 [0,2,0,0,0,0|1,0,1]=4 14283 B13R0.331 CCCC(C)CC(=O)CCCC(=O)C 1458a_100000748435_100011215641 [0,2,0,0,0,0|1,0,1]=4 14284 B13R0.331 CCCC(C)CC(=O)CCCC(C)C 1458a_100000748435_100011214892 [0,2,0,0,0,0|1,0,0]=3 14285 B13R0.331 CCCC(C)CC(=O)CCCC(C)C 1458a_100011216857_100011216630 [0,2,0,0,0,0|1,0,0]=3 14286 B13R0.331 CCCC(C)CC(=O)CCCC(C)O 1458a_100000748435_200000718107 [0,2,0,0,0,0|1,0,0]=3 14287 B13R0.331 CCCC(C)CC(=O)CCCN(C)C 1458a_100000748435_100000695564 [0,2,0,0,0,0|2,0,0]=4 14288 B13R0.331 CCCC(C)CC(=O)CCOC(C)C 1458a_100000748435_100000211751 [0,2,0,0,0,0|2,0,0]=4 14289 B13R0.331 CCCC(C)CC(=O)CCSC(C)C 1458a_100000748435_100000730970 [0,2,0,0,0,0|2,0,0]=4 14290 B13R0.331 CCCC(C)CC(=O)COCC(C)C 1458a_100011223364_100011216630 [0,2,0,0,0,0|2,0,0]=4 14291 B13R0.331 CCCC(C)CC(=O)NCCC(C)C 11a_100000210545_100000748435 [0,2,0,0,0,0|1,0,0]=3 14292 B13R0.331 CCCC(C)CC(=O)NCCC(C)C 1626a_100000210545_100000748435 [0,2,0,0,0,0|1,0,0]=3 14293 B13R0.331 CCCC(C)CC(=O)NCCC(C)C 240690a_100000210545_100000748435 [0,2,0,0,0,0|1,0,0]=3 14294 B13R0.331 CCCC(C)CC(=O)NCCC(C)C 527a_100000210545_100000748435 [0,2,0,0,0,0|1,0,0]=3 14295 B13R0.331 CCCC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000748435 [0,2,0,0,0,0|1,0,0]=3 14296 B13R0.331 CCCC(C)CC(=O)NCCC(C)O 527a_200000755665_100000748435 [0,2,0,0,0,0|1,0,0]=3 14297 B13R0.331 CCCC(C)CC(=O)NCCN(C)C 240690a_100000210585_100000748435 [0,2,0,0,0,0|2,0,0]=4 14298 B13R0.331 CCCC(C)CC(=O)NCCN(C)C 527a_100000210585_100000748435 [0,2,0,0,0,0|2,0,0]=4 14299 B13R0.331 CCCC(C)CC(=O)NNCC(C)C 22a_100000696102_100000748435 [0,2,0,0,0,0|2,0,0]=4 14300 B13R0.331 CCCC(C)CC(=O)NNCC(C)O 22a_200000730056_100000748435 [0,2,0,0,0,0|2,0,0]=4 14301 B13R0.331 CCCC(C)NC(=O)CCCC(C)C 11a_100000741246_100011216857 [0,2,0,0,0,0|1,0,0]=3 14302 B13R0.331 CCCC(C)NC(=O)CCCC(C)C 1626a_100000741246_100011216857 [0,2,0,0,0,0|1,0,0]=3 14303 B13R0.331 CCCC(C)NC(=O)CCCC(C)C 240690a_100000741246_100011216857 [0,2,0,0,0,0|1,0,0]=3 14304 B13R0.331 CCCC(C)NC(=O)CCCC(C)C 527a_100000741246_100011216857 [0,2,0,0,0,0|1,0,0]=3 14305 B13R0.331 CCCC(C)NC(=O)CCCC(C)O 1626a_100000741246_100000761597 [0,2,0,0,0,0|1,0,0]=3 14306 B13R0.331 CCCC(C)NC(=O)CCCC(C)O 527a_100000741246_100000761597 [0,2,0,0,0,0|1,0,0]=3 14307 B13R0.331 CCCC(C)NC(=O)CCCN(C)C 11a_100000741246_100000740757 [0,2,0,0,0,0|2,0,0]=4 14308 B13R0.331 CCCC(C)NC(=O)CCCN(C)C 240690a_100000741246_100000740757 [0,2,0,0,0,0|2,0,0]=4 14309 B13R0.331 CCCC(C)NC(=O)COCC(C)C 11a_100000741246_100011223364 [0,2,0,0,0,0|2,0,0]=4 14310 B13R0.331 CCCC(C)NC(=O)COCC(C)C 1626a_100000741246_100011223364 [0,2,0,0,0,0|2,0,0]=4 14311 B13R0.331 CCCC(C)NC(=O)COCC(C)C 240690a_100000741246_100011223364 [0,2,0,0,0,0|2,0,0]=4 14312 B13R0.331 CCCC(C)NC(=O)COCC(C)C 527a_100000741246_100011223364 [0,2,0,0,0,0|2,0,0]=4 14313 B13R0.331 CCCC(C)NC(=O)NCCC(C)C 2708a_100000210545_100000741246 [0,2,0,0,0,0|2,0,0]=4 14314 B13R0.331 CCCC(C)NC(=O)NCCC(C)C 2708a_100000741246_100000210545 [0,2,0,0,0,0|2,0,0]=4 14315 B13R0.331 CCCC(C)NC(=O)NCCC(C)C 273464a_100000741246_100000210545 [0,2,0,0,0,0|2,0,0]=4 14316 B13R0.331 CCCC(C)NC(=O)NCCC(C)C 512a_100000210545_100000741246 [0,2,0,0,0,0|2,0,0]=4 14317 B13R0.331 CCCC(C)NC(=O)NCCC(C)C 512a_100000741246_100000210545 [0,2,0,0,0,0|2,0,0]=4 14318 B13R0.331 CCCC(C)NC(=O)NCCC(C)O 2708a_100000741246_200000755665 [0,2,0,0,0,0|2,0,0]=4 14319 B13R0.331 CCCC(C)NC(=O)NCCC(C)O 512a_100000741246_200000755665 [0,2,0,0,0,0|2,0,0]=4 14320 B13R0.331 CCCC(C)NC(=O)NCCC(C)O 512a_200000755665_100000741246 [0,2,0,0,0,0|2,0,0]=4 14321 B13R0.331 CCCC(C)OC(C)CCCC(C)C 34a_200011218570_100000766640 [0,2,0,0,0,0|1,0,1]=4 14322 B13R0.331 CCCC(C)OC(C)CCCC(C)C 7a_200011218570_100000766640 [0,2,0,0,0,0|1,0,1]=4 14323 B13R0.331 CCCS(=O)CC(=O)CCCC(C)C 1458a_100011387404_100011214892 [0,2,0,0,0,0|2,0,0]=4 14324 B13R0.331 CCCS(=O)CC(=O)CCCC(C)O 1458a_100011387404_200000718107 [0,2,0,0,0,0|2,0,0]=4 14325 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 11a_100000210545_100011387404 [0,2,0,0,0,0|2,0,0]=4 14326 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 1626a_100000210545_100011387404 [0,2,0,0,0,0|2,0,0]=4 14327 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 240690a_100000210545_100011387404 [0,2,0,0,0,0|2,0,0]=4 14328 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 527a_100000210545_100011387404 [0,2,0,0,0,0|2,0,0]=4 14329 B13R0.331 CCCS(=O)CC(=O)NCCC(C)O 240690a_200000755665_100011387404 [0,2,0,0,0,0|2,0,0]=4 14330 B13R0.331 CCCS(=O)CC(=O)NCCC(C)O 527a_200000755665_100011387404 [0,2,0,0,0,0|2,0,0]=4 14331 B13R0.331 CCSC(C)CC(=O)CCCC(C)C 1458a_200011311441_100011214892 [0,2,0,0,0,0|2,0,0]=4 14332 B13R0.331 CCSC(C)CC(=O)CCCC(C)O 1458a_200011311441_200000718107 [0,2,0,0,0,0|2,0,0]=4 14333 B13R0.331 CCSC(C)CC(=O)NCCC(C)C 11a_100000210545_200011311441 [0,2,0,0,0,0|2,0,0]=4 14334 B13R0.331 CCSC(C)CC(=O)NCCC(C)C 1626a_100000210545_200011311441 [0,2,0,0,0,0|2,0,0]=4 14335 B13R0.331 CCSC(C)CC(=O)NCCC(C)C 240690a_100000210545_200011311441 [0,2,0,0,0,0|2,0,0]=4 14336 B13R0.331 CCSC(C)CC(=O)NCCC(C)C 527a_100000210545_200011311441 [0,2,0,0,0,0|2,0,0]=4 14337 B13R0.331 CCSC(C)CC(=O)NCCC(C)O 240690a_200000755665_200011311441 [0,2,0,0,0,0|2,0,0]=4 14338 B13R0.331 CCSC(C)CC(=O)NCCC(C)O 527a_200000755665_200011311441 [0,2,0,0,0,0|2,0,0]=4 14339 B13R0.331 COC[C@@H](C)NC(=O)CCCC(C)C 11a_100000764878_100011216857 [0,2,0,0,0,0|2,0,0]=4 14340 B13R0.331 COC[C@@H](C)NC(=O)CCCC(C)C 1626a_100000764878_100011216857 [0,2,0,0,0,0|2,0,0]=4 14341 B13R0.331 COC[C@@H](C)NC(=O)CCCC(C)C 240690a_100000764878_100011216857 [0,2,0,0,0,0|2,0,0]=4 14342 B13R0.331 COC[C@@H](C)NC(=O)CCCC(C)C 527a_100000764878_100011216857 [0,2,0,0,0,0|2,0,0]=4 14343 B13R0.331 COC[C@@H](C)NC(=O)CCCC(C)O 1626a_100000764878_100000761597 [0,2,0,0,0,0|2,0,0]=4 14344 B13R0.331 COC[C@@H](C)NC(=O)CCCC(C)O 527a_100000764878_100000761597 [0,2,0,0,0,0|2,0,0]=4 14345 B13R0.333 C=C(C)CN(C)CC(=O)OCCCC 2230a_100000225649_100000211628 [0,2,0,0,0,0|1,0,1]=4 14346 B13R0.333 C=C(C)CN(C)CC(=O)OCCCC 269982a_100000225649_100000211628 [0,2,0,0,0,0|1,0,1]=4 14347 B13R0.333 CC(C)CC(C)NC(=O)CCCCO 1626a_100000692259_100000695505 [0,2,0,0,0,0|2,0,0]=4 14348 B13R0.333 CCCCCC(=O)CC(=O)CC(C)C 1458a_100000210554_200012276598 [0,2,0,0,0,0|1,0,1]=4 14349 B13R0.333 CCCCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200012276598 [0,2,0,0,0,0|1,0,1]=4 14350 B13R0.333 CCCCCC(=O)CN(C)CC(C)C 2230a_100000747067_200012276598 [0,2,0,0,0,0|2,0,0]=4 14351 B13R0.333 CCCCCC(=O)CN(C)CC(C)C 269982a_100000747067_200012276598 [0,2,0,0,0,0|2,0,0]=4 14352 B13R0.333 CCCCCC(=O)CN(C)CC(C)O 2230a_100000227577_200012276598 [0,2,0,0,0,0|2,0,0]=4 14353 B13R0.333 CCCCCC(=O)CN(C)CC(C)O 269982a_100000227577_200012276598 [0,2,0,0,0,0|2,0,0]=4 14354 B13R0.333 CCCCCC(=O)NC(C)CC(C)C 11a_100000692259_100000212188 [0,2,0,0,0,0|1,0,0]=3 14355 B13R0.333 CCCCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000212188 [0,2,0,0,0,0|1,0,0]=3 14356 B13R0.333 CCCCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000212188 [0,2,0,0,0,0|1,0,0]=3 14357 B13R0.333 CCCCCC(=O)NC(C)CC(C)C 527a_100000692259_100000212188 [0,2,0,0,0,0|1,0,0]=3 14358 B13R0.333 CCCCCC(=O)NC(C)CN(C)C 11a_100016992788_100000212188 [0,2,0,0,0,0|2,0,0]=4 14359 B13R0.333 CCCCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000212188 [0,2,0,0,0,0|2,0,0]=4 14360 B13R0.333 CCCCCC(=O)NC(C)CN(C)C 527a_100016992788_100000212188 [0,2,0,0,0,0|2,0,0]=4 14361 B13R0.333 CCCCCC(C)OC(C)CC(C)C 34a_100000211805_200011218191 [0,2,0,0,0,0|1,0,1]=4 14362 B13R0.333 CCCCCC(C)OC(C)CC(C)C 34a_100011215632_100000731052 [0,2,0,0,0,0|1,0,1]=4 14363 B13R0.333 CCCCCC(C)OC(C)CC(C)C 7a_100000211805_200011218191 [0,2,0,0,0,0|1,0,1]=4 14364 B13R0.333 CCCCCC(C)OC(C)CC(C)C 7a_100011215632_100000731052 [0,2,0,0,0,0|1,0,1]=4 14365 B13R0.333 CCCCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000182744 [0,2,0,0,0,0|1,0,1]=4 14366 B13R0.333 CCCCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000182744 [0,2,0,0,0,0|1,0,1]=4 14367 B13R0.333 CCCCNC(=O)CN(C)CC(C)C 2230a_100000747067_100000182744 [0,2,0,0,0,0|2,0,0]=4 14368 B13R0.333 CCCCNC(=O)CN(C)CC(C)C 2230a_200000213093_100000210760 [0,2,0,0,0,0|2,0,0]=4 14369 B13R0.333 CCCCNC(=O)CN(C)CC(C)C 269982a_100000747067_100000182744 [0,2,0,0,0,0|2,0,0]=4 14370 B13R0.333 CCCCNC(=O)CN(C)CC(C)C 269982a_200000213093_100000210624 [0,2,0,0,0,0|2,0,0]=4 14371 B13R0.333 CCCCNC(=O)CN(C)CC(C)C 270004a_200000213093_100000210432 [0,2,0,0,0,0|2,0,0]=4 14372 B13R0.333 CCCCNC(=O)CN(C)CC(C)O 2230a_100000227577_100000182744 [0,2,0,0,0,0|2,0,0]=4 14373 B13R0.333 CCCCNC(=O)CN(C)CC(C)O 2230a_200000213093_100011218427 [0,2,0,0,0,0|2,0,0]=4 14374 B13R0.333 CCCCNC(=O)CN(C)CC(C)O 269982a_100000227577_100000182744 [0,2,0,0,0,0|2,0,0]=4 14375 B13R0.333 CCCCNC(=O)CN(C)CC(C)O 269982a_200000213093_100011218427 [0,2,0,0,0,0|2,0,0]=4 14376 B13R0.333 CCCCNC(=O)CN(C)C[C@@H](C)O 2230a_200000213093_100009817552 [0,2,0,0,0,0|2,0,0]=4 14377 B13R0.333 CCCCNC(=O)CN(C)C[C@@H](C)O 269982a_200000213093_100009817552 [0,2,0,0,0,0|2,0,0]=4 14378 B13R0.333 CCCCNC(=O)NC(C)CC(C)C 2708a_100000102301_100000692259 [0,2,0,0,0,0|2,0,0]=4 14379 B13R0.333 CCCCNC(=O)NC(C)CC(C)C 2708a_100000692259_100000102301 [0,2,0,0,0,0|2,0,0]=4 14380 B13R0.333 CCCCNC(=O)NC(C)CC(C)C 273464a_100000692259_100000102301 [0,2,0,0,0,0|2,0,0]=4 14381 B13R0.333 CCCCNC(=O)NC(C)CC(C)C 512a_100000102301_100000692259 [0,2,0,0,0,0|2,0,0]=4 14382 B13R0.333 CCCCNC(=O)NC(C)CC(C)C 512a_100000692259_100000102301 [0,2,0,0,0,0|2,0,0]=4 14383 B13R0.333 CCCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000211628 [0,2,0,0,0,0|0,0,1]=3 14384 B13R0.333 CCCCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000211628 [0,2,0,0,0,0|1,0,1]=4 14385 B13R0.333 CCCCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000211628 [0,2,0,0,0,0|0,0,1]=3 14386 B13R0.333 CCCCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000211628 [0,2,0,0,0,0|1,0,1]=4 14387 B13R0.333 CCCCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000211628 [0,2,0,0,0,0|1,0,0]=3 14388 B13R0.333 CCCCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000211628 [0,2,0,0,0,0|1,0,0]=3 14389 B13R0.333 CCCCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000211628 [0,2,0,0,0,0|1,0,0]=3 14390 B13R0.333 CCCCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000211628 [0,2,0,0,0,0|1,0,0]=3 14391 B13R0.333 CCCOCC(=O)NC(C)CC(C)C 11a_100000692259_100000745993 [0,2,0,0,0,0|2,0,0]=4 14392 B13R0.333 CCCOCC(=O)NC(C)CC(C)C 1626a_100000692259_100000745993 [0,2,0,0,0,0|2,0,0]=4 14393 B13R0.333 CCCOCC(=O)NC(C)CC(C)C 240690a_100000692259_100000745993 [0,2,0,0,0,0|2,0,0]=4 14394 B13R0.333 CCCOCC(=O)NC(C)CC(C)C 527a_100000692259_100000745993 [0,2,0,0,0,0|2,0,0]=4 14395 B13R0.333 CCCSCC(=O)NC(C)CC(C)C 11a_100000692259_100000217233 [0,2,0,0,0,0|2,0,0]=4 14396 B13R0.333 CCCSCC(=O)NC(C)CC(C)C 1626a_100000692259_100000217233 [0,2,0,0,0,0|2,0,0]=4 14397 B13R0.333 CCCSCC(=O)NC(C)CC(C)C 240690a_100000692259_100000217233 [0,2,0,0,0,0|2,0,0]=4 14398 B13R0.333 CCCSCC(=O)NC(C)CC(C)C 527a_100000692259_100000217233 [0,2,0,0,0,0|2,0,0]=4 14399 B13R0.333 CCOCCC(=O)NC(C)CC(C)C 11a_100000692259_100000749530 [0,2,0,0,0,0|2,0,0]=4 14400 B13R0.333 CCOCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000749530 [0,2,0,0,0,0|2,0,0]=4 14401 B13R0.333 CCOCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000749530 [0,2,0,0,0,0|2,0,0]=4 14402 B13R0.333 CCOCCC(=O)NC(C)CC(C)C 527a_100000692259_100000749530 [0,2,0,0,0,0|2,0,0]=4 14403 B13R0.333 CCSCCC(=O)NC(C)CC(C)C 11a_100000692259_100000230768 [0,2,0,0,0,0|2,0,0]=4 14404 B13R0.333 CCSCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000230768 [0,2,0,0,0,0|2,0,0]=4 14405 B13R0.333 CCSCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000230768 [0,2,0,0,0,0|2,0,0]=4 14406 B13R0.333 CCSCCC(=O)NC(C)CC(C)C 527a_100000692259_100000230768 [0,2,0,0,0,0|2,0,0]=4 14407 B13R0.333 COCCCC(=O)NC(C)CC(C)C 11a_100000692259_100000741012 [0,2,0,0,0,0|2,0,0]=4 14408 B13R0.333 COCCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000741012 [0,2,0,0,0,0|2,0,0]=4 14409 B13R0.333 COCCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000741012 [0,2,0,0,0,0|2,0,0]=4 14410 B13R0.333 COCCCC(=O)NC(C)CC(C)C 527a_100000692259_100000741012 [0,2,0,0,0,0|2,0,0]=4 14411 B13R0.333 COCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_200000040189 [0,2,0,0,0,0|1,0,1]=4 14412 B13R0.333 COCCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200000040189 [0,2,0,0,0,0|1,0,1]=4 14413 B13R0.333 COCCOC(=O)CN(C)CC(C)C 2230a_100000747067_200000040189 [0,2,0,0,0,0|2,0,0]=4 14414 B13R0.333 COCCOC(=O)CN(C)CC(C)C 269982a_100000747067_200000040189 [0,2,0,0,0,0|2,0,0]=4 14415 B13R0.333 COCCOC(=O)CN(C)CC(C)O 2230a_100000227577_200000040189 [0,2,0,0,0,0|2,0,0]=4 14416 B13R0.333 COCCOC(=O)CN(C)CC(C)O 269982a_100000227577_200000040189 [0,2,0,0,0,0|2,0,0]=4 14417 B13R0.333 CSCCCC(=O)NC(C)CC(C)C 11a_100000692259_100000173376 [0,2,0,0,0,0|2,0,0]=4 14418 B13R0.333 CSCCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000173376 [0,2,0,0,0,0|2,0,0]=4 14419 B13R0.333 CSCCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000173376 [0,2,0,0,0,0|2,0,0]=4 14420 B13R0.333 CSCCCC(=O)NC(C)CC(C)C 527a_100000692259_100000173376 [0,2,0,0,0,0|2,0,0]=4 14421 B13R0.345 CC(C)CCCC(=O)N(C)CCCO 240690a_100000213112_100011216857 [0,2,0,0,0,0|2,0,0]=4 14422 B13R0.345 CC(C)CCCC(=O)N(C)CCCO 527a_100000213112_100011216857 [0,2,0,0,0,0|2,0,0]=4 14423 B13R0.345 CC(C)CCOC(=O)C(C)OCCF 34a_200000034679_100011217306 [0,2,0,0,0,0|2,0,0]=4 14424 B13R0.345 CC(C)CCOC(=O)C(C)OCCF 7a_200000034679_100011217306 [0,2,0,0,0,0|2,0,0]=4 14425 B13R0.345 CC(C)CCOC(=O)C(C)OCCO 34a_200000034679_100000211926 [0,2,0,0,0,0|2,0,0]=4 14426 B13R0.345 CC(C)CCOC(=O)C(C)OCCO 7a_200000034679_100000211926 [0,2,0,0,0,0|2,0,0]=4 14427 B13R0.345 CC(O)CCCC(=O)N(C)CCCO 527a_100000213112_100000761597 [0,2,0,0,0,0|2,0,0]=4 14428 B13R0.345 CCC/C=C(\C)/C(=O)CCCC(C)C 1458a_200020648666_100011214892 [0,2,0,0,0,0|1,0,1]=4 14429 B13R0.345 CCC/C=C(\C)/C(=O)CCCC(C)O 1458a_200020648666_200000718107 [0,2,0,0,0,0|1,0,1]=4 14430 B13R0.345 CCCCC(C)C(=O)CCCC(=O)C 1458a_100000725509_100011215641 [0,2,0,0,0,0|1,0,1]=4 14431 B13R0.345 CCCCC(C)C(=O)CCCC(C)C 1458a_100000725509_100011214892 [0,2,0,0,0,0|1,0,0]=3 14432 B13R0.345 CCCCC(C)C(=O)CCCC(C)C 1458a_100011216857_200011215066 [0,2,0,0,0,0|1,0,0]=3 14433 B13R0.345 CCCCC(C)C(=O)CCCC(C)O 1458a_100000725509_200000718107 [0,2,0,0,0,0|1,0,0]=3 14434 B13R0.345 CCCCC(C)C(=O)CCCN(C)C 1458a_100000725509_100000695564 [0,2,0,0,0,0|2,0,0]=4 14435 B13R0.345 CCCCC(C)C(=O)CCOC(C)C 1458a_100000725509_100000211751 [0,2,0,0,0,0|2,0,0]=4 14436 B13R0.345 CCCCC(C)C(=O)CCSC(C)C 1458a_100000725509_100000730970 [0,2,0,0,0,0|2,0,0]=4 14437 B13R0.345 CCCCC(C)C(=O)COCC(C)C 1458a_100011223364_200011215066 [0,2,0,0,0,0|2,0,0]=4 14438 B13R0.345 CCCCC(C)C(=O)NCCC(C)C 11a_100000210545_100000725509 [0,2,0,0,0,0|1,0,0]=3 14439 B13R0.345 CCCCC(C)C(=O)NCCC(C)C 1626a_100000210545_100000725509 [0,2,0,0,0,0|1,0,0]=3 14440 B13R0.345 CCCCC(C)C(=O)NCCC(C)C 240690a_100000210545_100000725509 [0,2,0,0,0,0|1,0,0]=3 14441 B13R0.345 CCCCC(C)C(=O)NCCC(C)C 527a_100000210545_100000725509 [0,2,0,0,0,0|1,0,0]=3 14442 B13R0.345 CCCCC(C)C(=O)NCCC(C)O 240690a_200000755665_100000725509 [0,2,0,0,0,0|1,0,0]=3 14443 B13R0.345 CCCCC(C)C(=O)NCCC(C)O 527a_200000755665_100000725509 [0,2,0,0,0,0|1,0,0]=3 14444 B13R0.345 CCCCC(C)C(=O)NCCN(C)C 240690a_100000210585_100000725509 [0,2,0,0,0,0|2,0,0]=4 14445 B13R0.345 CCCCC(C)C(=O)NCCN(C)C 527a_100000210585_100000725509 [0,2,0,0,0,0|2,0,0]=4 14446 B13R0.345 CCCCC(C)C(=O)NNCC(C)C 22a_100000696102_100000725509 [0,2,0,0,0,0|2,0,0]=4 14447 B13R0.345 CCCCC(C)C(=O)NNCC(C)O 22a_200000730056_100000725509 [0,2,0,0,0,0|2,0,0]=4 14448 B13R0.345 CCCCC(O)C(=O)CCCC(=O)C 1458a_100000720857_100011215641 [0,2,0,0,0,0|1,0,1]=4 14449 B13R0.345 CCCCC(O)C(=O)CCCC(C)C 1458a_100000720857_100011214892 [0,2,0,0,0,0|1,0,0]=3 14450 B13R0.345 CCCCC(O)C(=O)CCCC(C)O 1458a_100000720857_200000718107 [0,2,0,0,0,0|1,0,0]=3 14451 B13R0.345 CCCCC(O)C(=O)CCCN(C)C 1458a_100000720857_100000695564 [0,2,0,0,0,0|2,0,0]=4 14452 B13R0.345 CCCCC(O)C(=O)CCOC(C)C 1458a_100000720857_100000211751 [0,2,0,0,0,0|2,0,0]=4 14453 B13R0.345 CCCCC(O)C(=O)CCSC(C)C 1458a_100000720857_100000730970 [0,2,0,0,0,0|2,0,0]=4 14454 B13R0.345 CCCCC(O)C(=O)NCCC(C)C 240690a_100000210545_100000720857 [0,2,0,0,0,0|1,0,0]=3 14455 B13R0.345 CCCCC(O)C(=O)NCCC(C)C 527a_100000210545_100000720857 [0,2,0,0,0,0|1,0,0]=3 14456 B13R0.345 CCCCC(O)C(=O)NCCC(C)O 240690a_200000755665_100000720857 [0,2,0,0,0,0|1,0,0]=3 14457 B13R0.345 CCCCC(O)C(=O)NCCC(C)O 527a_200000755665_100000720857 [0,2,0,0,0,0|1,0,0]=3 14458 B13R0.345 CCCCC(O)C(=O)NCCN(C)C 240690a_100000210585_100000720857 [0,2,0,0,0,0|2,0,0]=4 14459 B13R0.345 CCCCC(O)C(=O)NCCN(C)C 527a_100000210585_100000720857 [0,2,0,0,0,0|2,0,0]=4 14460 B13R0.345 CCCCC(O)C(=O)NNCC(C)C 22a_100000696102_100000720857 [0,2,0,0,0,0|2,0,0]=4 14461 B13R0.345 CCCCC(O)C(=O)NNCC(C)O 22a_200000730056_100000720857 [0,2,0,0,0,0|2,0,0]=4 14462 B13R0.345 CCCCN(C)C(=O)CCCC(C)C 11a_100000207549_100011216857 [0,2,0,0,0,0|1,0,0]=3 14463 B13R0.345 CCCCN(C)C(=O)CCCC(C)C 1626a_100000207549_100011216857 [0,2,0,0,0,0|1,0,0]=3 14464 B13R0.345 CCCCN(C)C(=O)CCCC(C)C 240690a_100000207549_100011216857 [0,2,0,0,0,0|1,0,0]=3 14465 B13R0.345 CCCCN(C)C(=O)CCCC(C)C 527a_100000207549_100011216857 [0,2,0,0,0,0|1,0,0]=3 14466 B13R0.345 CCCCN(C)C(=O)CCCC(C)O 1626a_100000207549_100000761597 [0,2,0,0,0,0|1,0,0]=3 14467 B13R0.345 CCCCN(C)C(=O)CCCC(C)O 527a_100000207549_100000761597 [0,2,0,0,0,0|1,0,0]=3 14468 B13R0.345 CCCCN(C)C(=O)CCCN(C)C 11a_100000207549_100000740757 [0,2,0,0,0,0|2,0,0]=4 14469 B13R0.345 CCCCN(C)C(=O)CCCN(C)C 240690a_100000207549_100000740757 [0,2,0,0,0,0|2,0,0]=4 14470 B13R0.345 CCCCN(C)C(=O)CNCC(C)C 2230a_100000210953_100000230175 [0,2,0,0,0,0|2,0,0]=4 14471 B13R0.345 CCCCN(C)C(=O)CNCC(C)C 34a_100000210953_100000230175 [0,2,0,0,0,0|2,0,0]=4 14472 B13R0.345 CCCCN(C)C(=O)CNCC(C)O 2230a_100000210904_100000230175 [0,2,0,0,0,0|2,0,0]=4 14473 B13R0.345 CCCCN(C)C(=O)CNCC(C)O 34a_100000210904_100000230175 [0,2,0,0,0,0|2,0,0]=4 14474 B13R0.345 CCCCN(C)C(=O)COCC(C)Br 34a_100012180447_100000230175 [0,2,0,0,0,0|2,0,0]=4 14475 B13R0.345 CCCCN(C)C(=O)COCC(C)C 11a_100000207549_100011223364 [0,2,0,0,0,0|2,0,0]=4 14476 B13R0.345 CCCCN(C)C(=O)COCC(C)C 1626a_100000207549_100011223364 [0,2,0,0,0,0|2,0,0]=4 14477 B13R0.345 CCCCN(C)C(=O)COCC(C)C 240690a_100000207549_100011223364 [0,2,0,0,0,0|2,0,0]=4 14478 B13R0.345 CCCCN(C)C(=O)COCC(C)C 34a_100000210257_100000230175 [0,2,0,0,0,0|2,0,0]=4 14479 B13R0.345 CCCCN(C)C(=O)COCC(C)C 527a_100000207549_100011223364 [0,2,0,0,0,0|2,0,0]=4 14480 B13R0.345 CCCCN(C)C(=O)COCC(C)F 34a_100015925927_100000230175 [0,2,0,0,0,0|2,0,0]=4 14481 B13R0.345 CCCCN(C)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000230175 [0,2,0,0,0,0|2,0,0]=4 14482 B13R0.345 CCCCN(C)C(=O)COC[C@@H](C)N 34a_100000737577_100000230175 [0,2,0,0,0,0|2,0,0]=4 14483 B13R0.345 CCCCN(C)C(=O)CSCC(C)C 62a_100000210624_100000230175 [0,2,0,0,0,0|2,0,0]=4 14484 B13R0.345 CCCCN(C)C(=O)CSCC(C)C 62a_100000230175_100000210760 [0,2,0,0,0,0|2,0,0]=4 14485 B13R0.345 CCCCN(C)C(=O)CSCC(C)O 62a_100000230175_100011218427 [0,2,0,0,0,0|2,0,0]=4 14486 B13R0.345 CCCCN(C)C(=O)CSCC(C)O 62a_100011218427_100000230175 [0,2,0,0,0,0|2,0,0]=4 14487 B13R0.345 CCCCN(C)C(=O)CSC[C@@H](C)O 62a_100000230175_100009817552 [0,2,0,0,0,0|2,0,0]=4 14488 B13R0.345 CCCCN(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000230175 [0,2,0,0,0,0|2,0,0]=4 14489 B13R0.345 CCCCN(C)C(=O)NCCC(C)C 2708a_100000210545_100000207549 [0,2,0,0,0,0|2,0,0]=4 14490 B13R0.345 CCCCN(C)C(=O)NCCC(C)C 273464a_100000210545_100000207549 [0,2,0,0,0,0|2,0,0]=4 14491 B13R0.345 CCCCN(C)C(=O)NCCC(C)O 273464a_200000755665_100000207549 [0,2,0,0,0,0|2,0,0]=4 14492 B13R0.345 CCCNC(=O)C(=O)CCCC(C)C 1458a_200011297150_100011214892 [0,2,0,0,0,0|2,0,0]=4 14493 B13R0.345 CCCNC(=O)C(=O)CCCC(C)O 1458a_200011297150_200000718107 [0,2,0,0,0,0|2,0,0]=4 14494 B13R0.345 CCCOC(C)C(=O)NCCC(C)C 34a_100000210258_100000735922 [0,2,0,0,0,0|2,0,0]=4 14495 B13R0.345 CCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100000210303 [0,2,0,0,0,0|1,0,0]=3 14496 B13R0.345 CCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000210303 [0,2,0,0,0,0|1,0,0]=3 14497 B13R0.345 CCCSC(C)C(=O)NCCC(C)C 62a_100000210303_100000735922 [0,2,0,0,0,0|2,0,0]=4 14498 B13R0.345 CCCSC(C)C(=O)NCCC(C)C 62a_100000735922_100000210303 [0,2,0,0,0,0|2,0,0]=4 14499 B13R0.345 COCCN(C)C(=O)CCCC(C)C 11a_100000743101_100011216857 [0,2,0,0,0,0|2,0,0]=4 14500 B13R0.345 COCCN(C)C(=O)CCCC(C)C 1626a_100000743101_100011216857 [0,2,0,0,0,0|2,0,0]=4 14501 B13R0.345 COCCN(C)C(=O)CCCC(C)C 240690a_100000743101_100011216857 [0,2,0,0,0,0|2,0,0]=4 14502 B13R0.345 COCCN(C)C(=O)CCCC(C)C 527a_100000743101_100011216857 [0,2,0,0,0,0|2,0,0]=4 14503 B13R0.345 COCCN(C)C(=O)CCCC(C)O 1626a_100000743101_100000761597 [0,2,0,0,0,0|2,0,0]=4 14504 B13R0.345 COCCN(C)C(=O)CCCC(C)O 527a_100000743101_100000761597 [0,2,0,0,0,0|2,0,0]=4 14505 B13R0.345 CSCCC(O)C(=O)CCCC(C)C 1458a_100000685904_100011214892 [0,2,0,0,0,0|2,0,0]=4 14506 B13R0.345 CSCCC(O)C(=O)CCCC(C)O 1458a_100000685904_200000718107 [0,2,0,0,0,0|2,0,0]=4 14507 B13R0.345 CSCCC(O)C(=O)NCCC(C)C 240690a_100000210545_100000685904 [0,2,0,0,0,0|2,0,0]=4 14508 B13R0.345 CSCCC(O)C(=O)NCCC(C)O 240690a_200000755665_100000685904 [0,2,0,0,0,0|2,0,0]=4 14509 B13R0.345 CSCCN(C)C(=O)CCCC(C)C 11a_100000686725_100011216857 [0,2,0,0,0,0|2,0,0]=4 14510 B13R0.345 CSCCN(C)C(=O)CCCC(C)C 1626a_100000686725_100011216857 [0,2,0,0,0,0|2,0,0]=4 14511 B13R0.345 CSCCN(C)C(=O)CCCC(C)C 240690a_100000686725_100011216857 [0,2,0,0,0,0|2,0,0]=4 14512 B13R0.345 CSCCN(C)C(=O)CCCC(C)C 527a_100000686725_100011216857 [0,2,0,0,0,0|2,0,0]=4 14513 B13R0.345 CSCCN(C)C(=O)CCCC(C)O 1626a_100000686725_100000761597 [0,2,0,0,0,0|2,0,0]=4 14514 B13R0.345 CSCCN(C)C(=O)CCCC(C)O 527a_100000686725_100000761597 [0,2,0,0,0,0|2,0,0]=4 14515 B13R0.345 CSCOC(C)C(=O)OCCC(C)C 34a_200000034679_100011218213 [0,2,0,0,0,0|2,0,0]=4 14516 B13R0.1259 CCCCCS(=O)(=O)NCCC(C)C 270084a_100000210545_100000753860 [0,2,0,0,0,0|2,0,0]=4 14517 B13R0.1259 CCCCCS(=O)(=O)NCCC(C)C 274078a_100000210545_100000753860 [0,2,0,0,0,0|2,0,0]=4 14518 B13R0.1259 CCCCCS(=O)(=O)NCCC(C)O 270084a_200000755665_100000753860 [0,2,0,0,0,0|2,0,0]=4 14519 B13R0.1259 CCCCCS(=O)(=O)NCCC(C)O 274078a_200000755665_100000753860 [0,2,0,0,0,0|2,0,0]=4 14520 B13R0.1259 CCCCOC(C)(C)CCCC(C)C 7a_100011215742_100000210211 [0,2,0,0,0,0|1,0,1]=4 14521 B13R0.1398 CC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215641 [0,2,0,0,0,0|1,0,1]=4 14522 B13R0.1398 CC(C)CCCC(=O)CCCC(C)C 1458a_100011216857_100011214892 [0,2,0,0,0,0|1,0,0]=3 14523 B13R0.1398 CC(C)CCCC(=O)CCCC(C)O 1458a_100011216857_200000718107 [0,2,0,0,0,0|1,0,0]=3 14524 B13R0.1398 CC(C)CCCC(=O)CCCN(C)C 1458a_100011216857_100000695564 [0,2,0,0,0,0|2,0,0]=4 14525 B13R0.1398 CC(C)CCCC(=O)CCOC(C)C 1458a_100011216857_100000211751 [0,2,0,0,0,0|2,0,0]=4 14526 B13R0.1398 CC(C)CCCC(=O)CCSC(C)C 1458a_100011216857_100000730970 [0,2,0,0,0,0|2,0,0]=4 14527 B13R0.1398 CC(C)CCCC(=O)COCC(C)C 1458a_100011223364_100011214892 [0,2,0,0,0,0|2,0,0]=4 14528 B13R0.1398 CC(C)CCCC(=O)NCCC(C)C 11a_100000210545_100011216857 [0,2,0,0,0,0|1,0,0]=3 14529 B13R0.1398 CC(C)CCCC(=O)NCCC(C)C 1626a_100000210545_100011216857 [0,2,0,0,0,0|1,0,0]=3 14530 B13R0.1398 CC(C)CCCC(=O)NCCC(C)C 240690a_100000210545_100011216857 [0,2,0,0,0,0|1,0,0]=3 14531 B13R0.1398 CC(C)CCCC(=O)NCCC(C)C 527a_100000210545_100011216857 [0,2,0,0,0,0|1,0,0]=3 14532 B13R0.1398 CC(C)CCCC(=O)NCCC(C)O 240690a_200000755665_100011216857 [0,2,0,0,0,0|1,0,0]=3 14533 B13R0.1398 CC(C)CCCC(=O)NCCC(C)O 527a_200000755665_100011216857 [0,2,0,0,0,0|1,0,0]=3 14534 B13R0.1398 CC(C)CCCC(=O)NCCN(C)C 240690a_100000210585_100011216857 [0,2,0,0,0,0|2,0,0]=4 14535 B13R0.1398 CC(C)CCCC(=O)NCCN(C)C 527a_100000210585_100011216857 [0,2,0,0,0,0|2,0,0]=4 14536 B13R0.1398 CC(C)CCCC(=O)NNCC(C)C 22a_100000696102_100011216857 [0,2,0,0,0,0|2,0,0]=4 14537 B13R0.1398 CC(C)CCCC(=O)NNCC(C)O 22a_200000730056_100011216857 [0,2,0,0,0,0|2,0,0]=4 14538 B13R0.1398 CC(C)CCCC(C)OCCC(C)C 34a_200011218570_100000210312 [0,2,0,0,0,0|1,0,1]=4 14539 B13R0.1398 CC(C)CCCC(C)OCCC(C)C 7a_200011218570_100000210626 [0,2,0,0,0,0|1,0,1]=4 14540 B13R0.1398 CC(C)CCCC(C)OCCC(C)O 34a_200011218570_100012276601 [0,2,0,0,0,0|1,0,1]=4 14541 B13R0.1398 CC(C)CCCC(C)OCCC(C)O 7a_200011218570_100012276601 [0,2,0,0,0,0|1,0,1]=4 14542 B13R0.1398 CC(C)CCNC(=O)CCCC(C)O 1626a_100000210545_100000761597 [0,2,0,0,0,0|1,0,0]=3 14543 B13R0.1398 CC(C)CCNC(=O)CCCC(C)O 527a_100000210545_100000761597 [0,2,0,0,0,0|1,0,0]=3 14544 B13R0.1398 CC(C)CCNC(=O)CCCN(C)C 11a_100000210545_100000740757 [0,2,0,0,0,0|2,0,0]=4 14545 B13R0.1398 CC(C)CCNC(=O)CCCN(C)C 240690a_100000210545_100000740757 [0,2,0,0,0,0|2,0,0]=4 14546 B13R0.1398 CC(C)CCNC(=O)COCC(C)C 11a_100000210545_100011223364 [0,2,0,0,0,0|2,0,0]=4 14547 B13R0.1398 CC(C)CCNC(=O)COCC(C)C 1626a_100000210545_100011223364 [0,2,0,0,0,0|2,0,0]=4 14548 B13R0.1398 CC(C)CCNC(=O)COCC(C)C 240690a_100000210545_100011223364 [0,2,0,0,0,0|2,0,0]=4 14549 B13R0.1398 CC(C)CCNC(=O)COCC(C)C 527a_100000210545_100011223364 [0,2,0,0,0,0|2,0,0]=4 14550 B13R0.1398 CC(C)CCNC(=O)NCCC(C)C 2708a_100000210545_100000210545 [0,2,0,0,0,0|2,0,0]=4 14551 B13R0.1398 CC(C)CCNC(=O)NCCC(C)C 273464a_100000210545_100000210545 [0,2,0,0,0,0|2,0,0]=4 14552 B13R0.1398 CC(C)CCNC(=O)NCCC(C)C 512a_100000210545_100000210545 [0,2,0,0,0,0|2,0,0]=4 14553 B13R0.1398 CC(C)CCNC(=O)NCCC(C)O 2708a_100000210545_200000755665 [0,2,0,0,0,0|2,0,0]=4 14554 B13R0.1398 CC(C)CCNC(=O)NCCC(C)O 273464a_200000755665_100000210545 [0,2,0,0,0,0|2,0,0]=4 14555 B13R0.1398 CC(C)CCNC(=O)NCCC(C)O 512a_100000210545_200000755665 [0,2,0,0,0,0|2,0,0]=4 14556 B13R0.1398 CC(C)CCNC(=O)NCCC(C)O 512a_200000755665_100000210545 [0,2,0,0,0,0|2,0,0]=4 14557 B13R0.1398 CC(C)CNNC(=O)CCCC(C)O 22a_100000696102_100000761597 [0,2,0,0,0,0|2,0,0]=4 14558 B13R0.1398 CC(C)COCC(=O)CCCC(C)O 1458a_100011223364_200000718107 [0,2,0,0,0,0|2,0,0]=4 14559 B13R0.1398 CC(C)COCC(=O)NCCC(C)O 240690a_200000755665_100011223364 [0,2,0,0,0,0|2,0,0]=4 14560 B13R0.1398 CC(C)COCC(=O)NCCC(C)O 527a_200000755665_100011223364 [0,2,0,0,0,0|2,0,0]=4 14561 B13R0.1398 CC(O)CCCC(=O)NCCC(C)O 527a_200000755665_100000761597 [0,2,0,0,0,0|1,0,0]=3 14562 B13R0.1398 CC(O)CCCC(=O)NCCN(C)C 527a_100000210585_100000761597 [0,2,0,0,0,0|2,0,0]=4 14563 B13R0.1398 CC(O)CCCC(=O)NNCC(C)O 22a_200000730056_100000761597 [0,2,0,0,0,0|2,0,0]=4 14564 B13R0.1398 CC(O)CCNC(=O)CCCN(C)C 240690a_200000755665_100000740757 [0,2,0,0,0,0|2,0,0]=4 14565 B13R0.1398 CC(O)CCNC(=O)NCCC(C)O 512a_200000755665_200000755665 [0,2,0,0,0,0|2,0,0]=4 14566 B13R0.39 C=C(CCC)CC(=O)C(C)CCCC 1458a_100000138376_200011215066 [0,2,0,0,0,0|1,0,1]=4 14567 B13R0.39 C=C(CCC)CC(=O)N(C)CCCC 11a_100000207549_100000138376 [0,2,0,0,0,0|1,0,1]=4 14568 B13R0.39 C=C(CCC)CC(=O)N(C)CCCC 240690a_100000207549_100000138376 [0,2,0,0,0,0|1,0,1]=4 14569 B13R0.39 C=C(CCC)CC(=O)N(C)CCCC 527a_100000207549_100000138376 [0,2,0,0,0,0|1,0,1]=4 14570 B13R0.39 CCC/C=C(\C)/C(=O)CC(C)CCC 1458a_200020648666_100011216630 [0,2,0,0,0,0|1,0,1]=4 14571 B13R0.39 CCCC(C)CC(=O)C(O)CCSC 1458a_100000685904_100011216630 [0,2,0,0,0,0|2,0,0]=4 14572 B13R0.39 CCCC(C)CC(=O)N(C)CCCO 240690a_100000213112_100000748435 [0,2,0,0,0,0|2,0,0]=4 14573 B13R0.39 CCCC(C)CC(=O)N(C)CCCO 527a_100000213112_100000748435 [0,2,0,0,0,0|2,0,0]=4 14574 B13R0.39 CCCC(C)CC(=O)N(C)CCOC 11a_100000743101_100000748435 [0,2,0,0,0,0|2,0,0]=4 14575 B13R0.39 CCCC(C)CC(=O)N(C)CCOC 1626a_100000743101_100000748435 [0,2,0,0,0,0|2,0,0]=4 14576 B13R0.39 CCCC(C)CC(=O)N(C)CCOC 240690a_100000743101_100000748435 [0,2,0,0,0,0|2,0,0]=4 14577 B13R0.39 CCCC(C)CC(=O)N(C)CCOC 527a_100000743101_100000748435 [0,2,0,0,0,0|2,0,0]=4 14578 B13R0.39 CCCC(C)CC(=O)N(C)CCSC 11a_100000686725_100000748435 [0,2,0,0,0,0|2,0,0]=4 14579 B13R0.39 CCCC(C)CC(=O)N(C)CCSC 1626a_100000686725_100000748435 [0,2,0,0,0,0|2,0,0]=4 14580 B13R0.39 CCCC(C)CC(=O)N(C)CCSC 240690a_100000686725_100000748435 [0,2,0,0,0,0|2,0,0]=4 14581 B13R0.39 CCCC(C)CC(=O)N(C)CCSC 527a_100000686725_100000748435 [0,2,0,0,0,0|2,0,0]=4 14582 B13R0.39 CCCC(C)NC(=O)C(O)CCSC 240690a_100000741246_100000685904 [0,2,0,0,0,0|2,0,0]=4 14583 B13R0.39 CCCCC(C)C(=O)C=C(C)CCC 1458a_100020676950_200011215066 [0,2,0,0,0,0|1,0,1]=4 14584 B13R0.39 CCCCC(C)C(=O)CC(=O)CCC 1458a_100000725509_100000747444 [0,2,0,0,0,0|1,0,1]=4 14585 B13R0.39 CCCCC(C)C(=O)CC(C)CCC 1458a_100000725509_100011216630 [0,2,0,0,0,0|1,0,0]=3 14586 B13R0.39 CCCCC(C)C(=O)CC(C)CCC 1458a_100000748435_200011215066 [0,2,0,0,0,0|1,0,0]=3 14587 B13R0.39 CCCCC(C)C(=O)CC(C)SCC 1458a_200011311441_200011215066 [0,2,0,0,0,0|2,0,0]=4 14588 B13R0.39 CCCCC(C)C(=O)CS(=O)CCC 1458a_100011387404_200011215066 [0,2,0,0,0,0|2,0,0]=4 14589 B13R0.39 CCCCC(C)C(=O)NC(C)CCC 11a_100000741246_100000725509 [0,2,0,0,0,0|1,0,0]=3 14590 B13R0.39 CCCCC(C)C(=O)NC(C)CCC 1626a_100000741246_100000725509 [0,2,0,0,0,0|1,0,0]=3 14591 B13R0.39 CCCCC(C)C(=O)NC(C)CCC 240690a_100000741246_100000725509 [0,2,0,0,0,0|1,0,0]=3 14592 B13R0.39 CCCCC(C)C(=O)NC(C)CCC 527a_100000741246_100000725509 [0,2,0,0,0,0|1,0,0]=3 14593 B13R0.39 CCCCC(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000725509 [0,2,0,0,0,0|2,0,0]=4 14594 B13R0.39 CCCCC(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000725509 [0,2,0,0,0,0|2,0,0]=4 14595 B13R0.39 CCCCC(C)C(=O)N[C@H](C)COC 11a_100000764878_100000725509 [0,2,0,0,0,0|2,0,0]=4 14596 B13R0.39 CCCCC(C)C(=O)N[C@H](C)COC 1626a_100000764878_100000725509 [0,2,0,0,0,0|2,0,0]=4 14597 B13R0.39 CCCCC(C)C(=O)N[C@H](C)COC 240690a_100000764878_100000725509 [0,2,0,0,0,0|2,0,0]=4 14598 B13R0.39 CCCCC(C)C(=O)N[C@H](C)COC 527a_100000764878_100000725509 [0,2,0,0,0,0|2,0,0]=4 14599 B13R0.39 CCCCC(O)C(=O)CC(=O)CCC 1458a_100000720857_100000747444 [0,2,0,0,0,0|1,0,1]=4 14600 B13R0.39 CCCCC(O)C(=O)CC(C)CCC 1458a_100000720857_100011216630 [0,2,0,0,0,0|1,0,0]=3 14601 B13R0.39 CCCCC(O)C(=O)NC(C)CCC 240690a_100000741246_100000720857 [0,2,0,0,0,0|1,0,0]=3 14602 B13R0.39 CCCCC(O)C(=O)NC(C)CCC 527a_100000741246_100000720857 [0,2,0,0,0,0|1,0,0]=3 14603 B13R0.39 CCCCC(O)C(=O)N[C@H](C)CCO 240690a_100000706166_100000720857 [0,2,0,0,0,0|2,0,0]=4 14604 B13R0.39 CCCCC(O)C(=O)N[C@H](C)CCO 527a_100000706166_100000720857 [0,2,0,0,0,0|2,0,0]=4 14605 B13R0.39 CCCCC(O)C(=O)N[C@H](C)COC 240690a_100000764878_100000720857 [0,2,0,0,0,0|2,0,0]=4 14606 B13R0.39 CCCCC(O)C(=O)N[C@H](C)COC 527a_100000764878_100000720857 [0,2,0,0,0,0|2,0,0]=4 14607 B13R0.39 CCCCN(C)C(=O)CC(=O)CCC 1458a_100000211992_100000230175 [0,2,0,0,0,0|1,0,1]=4 14608 B13R0.39 CCCCN(C)C(=O)CC(C)CCC 11a_100000207549_100000748435 [0,2,0,0,0,0|1,0,0]=3 14609 B13R0.39 CCCCN(C)C(=O)CC(C)CCC 1626a_100000207549_100000748435 [0,2,0,0,0,0|1,0,0]=3 14610 B13R0.39 CCCCN(C)C(=O)CC(C)CCC 240690a_100000207549_100000748435 [0,2,0,0,0,0|1,0,0]=3 14611 B13R0.39 CCCCN(C)C(=O)CC(C)CCC 527a_100000207549_100000748435 [0,2,0,0,0,0|1,0,0]=3 14612 B13R0.39 CCCCN(C)C(=O)CC(C)SCC 11a_100000207549_200011311441 [0,2,0,0,0,0|2,0,0]=4 14613 B13R0.39 CCCCN(C)C(=O)CC(C)SCC 1626a_100000207549_200011311441 [0,2,0,0,0,0|2,0,0]=4 14614 B13R0.39 CCCCN(C)C(=O)CC(C)SCC 240690a_100000207549_200011311441 [0,2,0,0,0,0|2,0,0]=4 14615 B13R0.39 CCCCN(C)C(=O)CC(C)SCC 527a_100000207549_200011311441 [0,2,0,0,0,0|2,0,0]=4 14616 B13R0.39 CCCCN(C)C(=O)CN(C)CCC 2230a_100000747261_100000230175 [0,2,0,0,0,0|2,0,0]=4 14617 B13R0.39 CCCCN(C)C(=O)CN(C)CCC 269982a_100000747261_100000230175 [0,2,0,0,0,0|2,0,0]=4 14618 B13R0.39 CCCCN(C)C(=O)CS(=O)CCC 11a_100000207549_100011387404 [0,2,0,0,0,0|2,0,0]=4 14619 B13R0.39 CCCCN(C)C(=O)CS(=O)CCC 1626a_100000207549_100011387404 [0,2,0,0,0,0|2,0,0]=4 14620 B13R0.39 CCCCN(C)C(=O)CS(=O)CCC 240690a_100000207549_100011387404 [0,2,0,0,0,0|2,0,0]=4 14621 B13R0.39 CCCCN(C)C(=O)CS(=O)CCC 527a_100000207549_100011387404 [0,2,0,0,0,0|2,0,0]=4 14622 B13R0.39 CCCCN(C)C(=O)NC(C)CCC 2708a_100000741246_100000207549 [0,2,0,0,0,0|2,0,0]=4 14623 B13R0.39 CCCCN(C)C(=O)NC(C)CCC 273464a_100000741246_100000207549 [0,2,0,0,0,0|2,0,0]=4 14624 B13R0.39 CCCNC(=O)C(=O)CC(C)CCC 1458a_200011297150_100011216630 [0,2,0,0,0,0|2,0,0]=4 14625 B13R0.39 CCCOC(C)C(=O)NC(C)CCC 34a_100000210258_100000735934 [0,2,0,0,0,0|2,0,0]=4 14626 B13R0.39 CCCSC(C)C(=O)NC(C)CCC 62a_100000210303_100000735934 [0,2,0,0,0,0|2,0,0]=4 14627 B13R0.39 CCCSC(C)C(=O)NC(C)CCC 62a_100000735934_100000210303 [0,2,0,0,0,0|2,0,0]=4 14628 B13R0.89 C=C(CCC)CC(=O)CC(C)CCC 1458a_100000138376_100011216630 [0,2,0,0,0,0|1,0,1]=4 14629 B13R0.89 C=C(CCC)CC(=O)NC(C)CCC 11a_100000741246_100000138376 [0,2,0,0,0,0|1,0,1]=4 14630 B13R0.89 C=C(CCC)CC(=O)NC(C)CCC 240690a_100000741246_100000138376 [0,2,0,0,0,0|1,0,1]=4 14631 B13R0.89 C=C(CCC)CC(=O)NC(C)CCC 527a_100000741246_100000138376 [0,2,0,0,0,0|1,0,1]=4 14632 B13R0.89 CCCC(=CC(=O)CC(C)CCC)C 1458a_100020676950_100011216630 [0,2,0,0,0,0|1,0,1]=4 14633 B13R0.89 CCCC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000747444 [0,2,0,0,0,0|1,0,1]=4 14634 B13R0.89 CCCC(C)CC(=O)CC(C)CCC 1458a_100000748435_100011216630 [0,2,0,0,0,0|1,0,0]=3 14635 B13R0.89 CCCC(C)CC(=O)CC(C)SCC 1458a_200011311441_100011216630 [0,2,0,0,0,0|2,0,0]=4 14636 B13R0.89 CCCC(C)CC(=O)CS(=O)CCC 1458a_100011387404_100011216630 [0,2,0,0,0,0|2,0,0]=4 14637 B13R0.89 CCCC(C)CC(=O)NC(C)CCC 11a_100000741246_100000748435 [0,2,0,0,0,0|1,0,0]=3 14638 B13R0.89 CCCC(C)CC(=O)NC(C)CCC 1626a_100000741246_100000748435 [0,2,0,0,0,0|1,0,0]=3 14639 B13R0.89 CCCC(C)CC(=O)NC(C)CCC 240690a_100000741246_100000748435 [0,2,0,0,0,0|1,0,0]=3 14640 B13R0.89 CCCC(C)CC(=O)NC(C)CCC 527a_100000741246_100000748435 [0,2,0,0,0,0|1,0,0]=3 14641 B13R0.89 CCCC(C)CC(=O)N[C@H](C)CCO 240690a_100000706166_100000748435 [0,2,0,0,0,0|2,0,0]=4 14642 B13R0.89 CCCC(C)CC(=O)N[C@H](C)CCO 527a_100000706166_100000748435 [0,2,0,0,0,0|2,0,0]=4 14643 B13R0.89 CCCC(C)CC(=O)N[C@H](C)COC 11a_100000764878_100000748435 [0,2,0,0,0,0|2,0,0]=4 14644 B13R0.89 CCCC(C)CC(=O)N[C@H](C)COC 1626a_100000764878_100000748435 [0,2,0,0,0,0|2,0,0]=4 14645 B13R0.89 CCCC(C)CC(=O)N[C@H](C)COC 240690a_100000764878_100000748435 [0,2,0,0,0,0|2,0,0]=4 14646 B13R0.89 CCCC(C)CC(=O)N[C@H](C)COC 527a_100000764878_100000748435 [0,2,0,0,0,0|2,0,0]=4 14647 B13R0.89 CCCC(C)NC(=O)CC(C)SCC 11a_100000741246_200011311441 [0,2,0,0,0,0|2,0,0]=4 14648 B13R0.89 CCCC(C)NC(=O)CC(C)SCC 1626a_100000741246_200011311441 [0,2,0,0,0,0|2,0,0]=4 14649 B13R0.89 CCCC(C)NC(=O)CC(C)SCC 240690a_100000741246_200011311441 [0,2,0,0,0,0|2,0,0]=4 14650 B13R0.89 CCCC(C)NC(=O)CC(C)SCC 527a_100000741246_200011311441 [0,2,0,0,0,0|2,0,0]=4 14651 B13R0.89 CCCC(C)NC(=O)CS(=O)CCC 11a_100000741246_100011387404 [0,2,0,0,0,0|2,0,0]=4 14652 B13R0.89 CCCC(C)NC(=O)CS(=O)CCC 1626a_100000741246_100011387404 [0,2,0,0,0,0|2,0,0]=4 14653 B13R0.89 CCCC(C)NC(=O)CS(=O)CCC 240690a_100000741246_100011387404 [0,2,0,0,0,0|2,0,0]=4 14654 B13R0.89 CCCC(C)NC(=O)CS(=O)CCC 527a_100000741246_100011387404 [0,2,0,0,0,0|2,0,0]=4 14655 B13R0.89 CCCC(C)NC(=O)NC(C)CCC 2708a_100000741246_100000741246 [0,2,0,0,0,0|2,0,0]=4 14656 B13R0.89 CCCC(C)NC(=O)NC(C)CCC 512a_100000741246_100000741246 [0,2,0,0,0,0|2,0,0]=4 14657 B13R0.809 CCCCCS(=O)(=O)NC(C)CCC 270084a_100000741246_100000753860 [0,2,0,0,0,0|2,0,0]=4 14658 B13R0.809 CCCCCS(=O)(=O)NC(C)CCC 274078a_100000741246_100000753860 [0,2,0,0,0,0|2,0,0]=4 14659 B13R0.823 CCCC(C)(O)CC(=O)CCCCF 1458a_100011667670_100000729493 [0,2,0,0,0,0|2,0,0]=4 14660 B13R0.823 CCCC(C)(O)CC(=O)CCCCO 1458a_100011667670_100000210776 [0,2,0,0,0,0|2,0,0]=4 14661 B13R0.823 CCCC(C)(O)CC(=O)CCCOC 1458a_100011667670_100000740836 [0,2,0,0,0,0|2,0,0]=4 14662 B13R0.823 CCCC(C)(O)CC(=O)CCOCC 1458a_100011667670_100011215890 [0,2,0,0,0,0|2,0,0]=4 14663 B13R0.823 CCCC(C)(O)CC(=O)CCSCC 1458a_100011667670_100000757381 [0,2,0,0,0,0|2,0,0]=4 14664 B13R0.823 CCCC(C)(O)CC(=O)NCCCF 240690a_100015189416_100011667670 [0,2,0,0,0,0|2,0,0]=4 14665 B13R0.823 CCCC(C)(O)CC(=O)NCCCF 527a_100015189416_100011667670 [0,2,0,0,0,0|2,0,0]=4 14666 B13R0.823 CCCC(C)(O)CC(=O)NCCCO 240690a_100000182051_100011667670 [0,2,0,0,0,0|2,0,0]=4 14667 B13R0.823 CCCC(C)(O)CC(=O)NCCCO 527a_100000182051_100011667670 [0,2,0,0,0,0|2,0,0]=4 14668 B13R0.823 CCCC(C)(O)CC(=O)NCCOC 240690a_100000209980_100011667670 [0,2,0,0,0,0|2,0,0]=4 14669 B13R0.823 CCCC(C)(O)CC(=O)NCCOC 527a_100000209980_100011667670 [0,2,0,0,0,0|2,0,0]=4 14670 B13R0.823 CCCC(C)(O)CC(=O)NCCSC 240690a_100020590264_100011667670 [0,2,0,0,0,0|2,0,0]=4 14671 B13R0.823 CCCC(C)(O)CC(=O)NCCSC 527a_100020590264_100011667670 [0,2,0,0,0,0|2,0,0]=4 14672 B13R0.823 CCCCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210326 [0,2,0,0,0,0|1,0,0]=3 14673 B13R0.823 CCCCCC(=O)NC(C)(C)CCO 240690a_100000763138_100000212188 [0,2,0,0,0,0|2,0,0]=4 14674 B13R0.823 CCCCCC(=O)NC(C)(C)CCO 527a_100000763138_100000212188 [0,2,0,0,0,0|2,0,0]=4 14675 B13R0.823 CCCCCC(=O)NC(C)(C)COC 11a_100000752728_100000212188 [0,2,0,0,0,0|2,0,0]=4 14676 B13R0.823 CCCCCC(=O)NC(C)(C)COC 1626a_100000752728_100000212188 [0,2,0,0,0,0|2,0,0]=4 14677 B13R0.823 CCCCCC(=O)NC(C)(C)COC 240690a_100000752728_100000212188 [0,2,0,0,0,0|2,0,0]=4 14678 B13R0.823 CCCCCC(=O)NC(C)(C)COC 527a_100000752728_100000212188 [0,2,0,0,0,0|2,0,0]=4 14679 B13R0.823 CCCCCC(=O)NC(C)(C)CSC 11a_100000759623_100000212188 [0,2,0,0,0,0|2,0,0]=4 14680 B13R0.823 CCCCCC(=O)NC(C)(C)CSC 1626a_100000759623_100000212188 [0,2,0,0,0,0|2,0,0]=4 14681 B13R0.823 CCCCCC(=O)NC(C)(C)CSC 240690a_100000759623_100000212188 [0,2,0,0,0,0|2,0,0]=4 14682 B13R0.823 CCCCCC(=O)NC(C)(C)CSC 527a_100000759623_100000212188 [0,2,0,0,0,0|2,0,0]=4 14683 B13R0.823 CCCCCC(=O)NS(=O)(=O)CCC 2740a_100000171175_100000212188 [0,2,0,0,0,0|2,0,0]=4 14684 B13R0.823 CCCCCC(C)OC(C)(C)CCC 7a_100000748436_200011218191 [0,2,0,0,0,0|1,0,1]=4 14685 B13R0.823 CCCCNC(=O)CC(C)(O)CCC 240690a_100000102301_100011667670 [0,2,0,0,0,0|1,0,0]=3 14686 B13R0.823 CCCCNC(=O)CC(C)(O)CCC 527a_100000102301_100011667670 [0,2,0,0,0,0|1,0,0]=3 14687 B13R0.823 CCCNNC(=O)CC(C)(O)CCC 22a_100000740057_100011667670 [0,2,0,0,0,0|2,0,0]=4 14688 B13R0.1283 CCCCCC(=O)N(C)C(C)CCO 240690a_100000731037_100000212188 [0,2,0,0,0,0|2,0,0]=4 14689 B13R0.1283 CCCCCC(=O)N(C)C(C)CCO 527a_100000731037_100000212188 [0,2,0,0,0,0|2,0,0]=4 14690 B13R0.1283 CCCCNC(=O)C(C)C(=O)CCC 1458a_100000211992_100000735917 [0,2,0,0,0,0|1,0,1]=4 14691 B13R0.1283 CCCCNC(=O)C(C)N(C)CCC 2230a_100000747261_100000735917 [0,2,0,0,0,0|2,0,0]=4 14692 B13R0.1283 CCCCNC(=O)C(C)N(C)CCC 269982a_100000747261_100000735917 [0,2,0,0,0,0|2,0,0]=4 14693 B13R0.1283 CCCCOC(=O)C(C)C(=O)CCC 1458a_100000211992_100000759602 [0,2,0,0,0,0|0,0,1]=3 14694 B13R0.1283 CCCCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100000759602 [0,2,0,0,0,0|1,0,1]=4 14695 B13R0.1283 CCCCOC(=O)C(C)C(=O)COC 1458a_100000210968_100000759602 [0,2,0,0,0,0|1,0,1]=4 14696 B13R0.1283 CCCCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100000759602 [0,2,0,0,0,0|1,0,1]=4 14697 B13R0.1283 CCCCOC(=O)C(C)N(C)CCC 2230a_100000747261_100000759602 [0,2,0,0,0,0|1,0,0]=3 14698 B13R0.1283 CCCCOC(=O)C(C)N(C)CCC 269982a_100000747261_100000759602 [0,2,0,0,0,0|1,0,0]=3 14699 B13R0.1283 CCCCOC(=O)C(C)N(C)CCO 2230a_100000210263_100000759602 [0,2,0,0,0,0|2,0,0]=4 14700 B13R0.1283 CCCCOC(=O)C(C)N(C)CCO 269982a_100000210263_100000759602 [0,2,0,0,0,0|2,0,0]=4 14701 B13R0.1289 C#CC(CCC)OC(C)CCCCC 34a_200011217317_200011218191 [0,2,0,0,0,0|1,0,1]=4 14702 B13R0.1289 C#CC(CCC)OC(C)CCCCC 7a_200011217317_200011218191 [0,2,0,0,0,0|1,0,1]=4 14703 B13R0.1289 C=CC(CCC)OC(C)CCCCC 34a_100011216692_200011218191 [0,2,0,0,0,0|1,0,1]=4 14704 B13R0.1289 C=CC(CCC)OC(C)CCCCC 7a_100011216692_200011218191 [0,2,0,0,0,0|1,0,1]=4 14705 B13R0.1289 CCCC(CC)NC(=O)CCCCO 1626a_100000747048_100000695505 [0,2,0,0,0,0|2,0,0]=4 14706 B13R0.1289 CCCC(CC)NC(=O)CCCOC 11a_100000747048_100000741012 [0,2,0,0,0,0|2,0,0]=4 14707 B13R0.1289 CCCC(CC)NC(=O)CCCOC 1626a_100000747048_100000741012 [0,2,0,0,0,0|2,0,0]=4 14708 B13R0.1289 CCCC(CC)NC(=O)CCCOC 240690a_100000747048_100000741012 [0,2,0,0,0,0|2,0,0]=4 14709 B13R0.1289 CCCC(CC)NC(=O)CCCOC 527a_100000747048_100000741012 [0,2,0,0,0,0|2,0,0]=4 14710 B13R0.1289 CCCC(CC)NC(=O)CCCSC 11a_100000747048_100000173376 [0,2,0,0,0,0|2,0,0]=4 14711 B13R0.1289 CCCC(CC)NC(=O)CCCSC 1626a_100000747048_100000173376 [0,2,0,0,0,0|2,0,0]=4 14712 B13R0.1289 CCCC(CC)NC(=O)CCCSC 240690a_100000747048_100000173376 [0,2,0,0,0,0|2,0,0]=4 14713 B13R0.1289 CCCC(CC)NC(=O)CCCSC 527a_100000747048_100000173376 [0,2,0,0,0,0|2,0,0]=4 14714 B13R0.1289 CCCC(CC)NC(=O)CCOCC 11a_100000747048_100000749530 [0,2,0,0,0,0|2,0,0]=4 14715 B13R0.1289 CCCC(CC)NC(=O)CCOCC 1626a_100000747048_100000749530 [0,2,0,0,0,0|2,0,0]=4 14716 B13R0.1289 CCCC(CC)NC(=O)CCOCC 240690a_100000747048_100000749530 [0,2,0,0,0,0|2,0,0]=4 14717 B13R0.1289 CCCC(CC)NC(=O)CCOCC 527a_100000747048_100000749530 [0,2,0,0,0,0|2,0,0]=4 14718 B13R0.1289 CCCC(CC)NC(=O)CCSCC 11a_100000747048_100000230768 [0,2,0,0,0,0|2,0,0]=4 14719 B13R0.1289 CCCC(CC)NC(=O)CCSCC 1626a_100000747048_100000230768 [0,2,0,0,0,0|2,0,0]=4 14720 B13R0.1289 CCCC(CC)NC(=O)CCSCC 240690a_100000747048_100000230768 [0,2,0,0,0,0|2,0,0]=4 14721 B13R0.1289 CCCC(CC)NC(=O)CCSCC 527a_100000747048_100000230768 [0,2,0,0,0,0|2,0,0]=4 14722 B13R0.1289 CCCCCC(=O)CN(CC)CCC 2230a_100000226822_200012276598 [0,2,0,0,0,0|2,0,0]=4 14723 B13R0.1289 CCCCCC(=O)CN(CC)CCC 269982a_100000226822_200012276598 [0,2,0,0,0,0|2,0,0]=4 14724 B13R0.1289 CCCCCC(=O)NC(CC)CCC 11a_100000747048_100000212188 [0,2,0,0,0,0|1,0,0]=3 14725 B13R0.1289 CCCCCC(=O)NC(CC)CCC 1626a_100000747048_100000212188 [0,2,0,0,0,0|1,0,0]=3 14726 B13R0.1289 CCCCCC(=O)NC(CC)CCC 240690a_100000747048_100000212188 [0,2,0,0,0,0|1,0,0]=3 14727 B13R0.1289 CCCCCC(=O)NC(CC)CCC 527a_100000747048_100000212188 [0,2,0,0,0,0|1,0,0]=3 14728 B13R0.1289 CCCCCC(=O)NC(CC)COC 11a_100000757820_100000212188 [0,2,0,0,0,0|2,0,0]=4 14729 B13R0.1289 CCCCCC(=O)NC(CC)COC 1626a_100000757820_100000212188 [0,2,0,0,0,0|2,0,0]=4 14730 B13R0.1289 CCCCCC(=O)NC(CC)COC 240690a_100000757820_100000212188 [0,2,0,0,0,0|2,0,0]=4 14731 B13R0.1289 CCCCCC(=O)NC(CC)COC 527a_100000757820_100000212188 [0,2,0,0,0,0|2,0,0]=4 14732 B13R0.1289 CCCCCC(=O)NC(CO)COC 240690a_100000724102_100000212188 [0,2,0,0,0,0|2,0,0]=4 14733 B13R0.1289 CCCCCC(=O)NC(CO)COC 527a_100000724102_100000212188 [0,2,0,0,0,0|2,0,0]=4 14734 B13R0.1289 CCCCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000212188 [0,2,0,0,0,0|1,0,0]=3 14735 B13R0.1289 CCCCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000212188 [0,2,0,0,0,0|1,0,0]=3 14736 B13R0.1289 CCCCCC(C)OC(C#N)CCC 34a_100000686963_200011218191 [0,2,0,0,0,0|1,0,1]=4 14737 B13R0.1289 CCCCCC(C)OC(C#N)CCC 7a_100000686963_200011218191 [0,2,0,0,0,0|1,0,1]=4 14738 B13R0.1289 CCCCCC(C)OC(CC)CCC 34a_100000687864_200011218191 [0,2,0,0,0,0|1,0,1]=4 14739 B13R0.1289 CCCCCC(C)OC(CC)CCC 7a_100000687864_200011218191 [0,2,0,0,0,0|1,0,1]=4 14740 B13R0.1289 CCCCCC(C)OC(CC)CCC 7a_100011215632_100011219200 [0,2,0,0,0,0|1,0,1]=4 14741 B13R0.1289 CCCCNC(=O)CN(CC)CCC 2230a_100000226822_100000182744 [0,2,0,0,0,0|2,0,0]=4 14742 B13R0.1289 CCCCNC(=O)CN(CC)CCC 269982a_100000226822_100000182744 [0,2,0,0,0,0|2,0,0]=4 14743 B13R0.1289 CCCCNC(=O)NC(CC)CCC 2708a_100000102301_100000747048 [0,2,0,0,0,0|2,0,0]=4 14744 B13R0.1289 CCCCNC(=O)NC(CC)CCC 2708a_100000747048_100000102301 [0,2,0,0,0,0|2,0,0]=4 14745 B13R0.1289 CCCCNC(=O)NC(CC)CCC 273464a_100000102301_100000747048 [0,2,0,0,0,0|2,0,0]=4 14746 B13R0.1289 CCCCNC(=O)NC(CC)CCC 273464a_100000747048_100000102301 [0,2,0,0,0,0|2,0,0]=4 14747 B13R0.1289 CCCCNC(=O)NC(CC)CCC 512a_100000102301_100000747048 [0,2,0,0,0,0|2,0,0]=4 14748 B13R0.1289 CCCCNC(=O)NC(CC)CCC 512a_100000747048_100000102301 [0,2,0,0,0,0|2,0,0]=4 14749 B13R0.1289 CCCCNC(=O)N[C@H](CO)CCC 2708a_100000102301_100000732646 [0,2,0,0,0,0|2,0,0]=4 14750 B13R0.1289 CCCCNC(=O)N[C@H](CO)CCC 273464a_100000102301_100000732646 [0,2,0,0,0,0|2,0,0]=4 14751 B13R0.1289 CCCCNC(=O)N[C@H](CO)CCC 273464a_100000732646_100000102301 [0,2,0,0,0,0|2,0,0]=4 14752 B13R0.1289 CCCCNC(=O)N[C@H](CO)CCC 512a_100000102301_100000732646 [0,2,0,0,0,0|2,0,0]=4 14753 B13R0.1289 CCCCNC(=O)N[C@H](CO)CCC 512a_100000732646_100000102301 [0,2,0,0,0,0|2,0,0]=4 14754 B13R0.1289 CCCCOC(=O)CN(CC)CCC 2230a_100000226822_100000211628 [0,2,0,0,0,0|1,0,0]=3 14755 B13R0.1289 CCCCOC(=O)CN(CC)CCC 269982a_100000226822_100000211628 [0,2,0,0,0,0|1,0,0]=3 14756 B13R0.1289 CCCCOC(=O)CN(CC)CCO 2230a_100000210973_100000211628 [0,2,0,0,0,0|2,0,0]=4 14757 B13R0.1289 CCCCOC(=O)CN(CC)CCO 269982a_100000210973_100000211628 [0,2,0,0,0,0|2,0,0]=4 14758 B13R0.1289 CCCN(CC)CC(=O)OCCOC 2230a_100000226822_200000040189 [0,2,0,0,0,0|2,0,0]=4 14759 B13R0.1289 CCCN(CC)CC(=O)OCCOC 269982a_100000226822_200000040189 [0,2,0,0,0,0|2,0,0]=4 14760 B13R0.1289 CCCOCC(=O)NC(CC)CCC 11a_100000747048_100000745993 [0,2,0,0,0,0|2,0,0]=4 14761 B13R0.1289 CCCOCC(=O)NC(CC)CCC 1626a_100000747048_100000745993 [0,2,0,0,0,0|2,0,0]=4 14762 B13R0.1289 CCCOCC(=O)NC(CC)CCC 240690a_100000747048_100000745993 [0,2,0,0,0,0|2,0,0]=4 14763 B13R0.1289 CCCOCC(=O)NC(CC)CCC 527a_100000747048_100000745993 [0,2,0,0,0,0|2,0,0]=4 14764 B13R0.1289 CCCOCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000745993 [0,2,0,0,0,0|2,0,0]=4 14765 B13R0.1289 CCCOCC(=O)N[C@H](CO)CCC 527a_100000732646_100000745993 [0,2,0,0,0,0|2,0,0]=4 14766 B13R0.1289 CCCSCC(=O)NC(CC)CCC 11a_100000747048_100000217233 [0,2,0,0,0,0|2,0,0]=4 14767 B13R0.1289 CCCSCC(=O)NC(CC)CCC 1626a_100000747048_100000217233 [0,2,0,0,0,0|2,0,0]=4 14768 B13R0.1289 CCCSCC(=O)NC(CC)CCC 240690a_100000747048_100000217233 [0,2,0,0,0,0|2,0,0]=4 14769 B13R0.1289 CCCSCC(=O)NC(CC)CCC 527a_100000747048_100000217233 [0,2,0,0,0,0|2,0,0]=4 14770 B13R0.1289 CCCSCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000217233 [0,2,0,0,0,0|2,0,0]=4 14771 B13R0.1289 CCCSCC(=O)N[C@H](CO)CCC 527a_100000732646_100000217233 [0,2,0,0,0,0|2,0,0]=4 14772 B13R0.1289 CCC[C@@H](CO)NC(=O)CCCOC 240690a_100000732646_100000741012 [0,2,0,0,0,0|2,0,0]=4 14773 B13R0.1289 CCC[C@@H](CO)NC(=O)CCCOC 527a_100000732646_100000741012 [0,2,0,0,0,0|2,0,0]=4 14774 B13R0.1289 CCC[C@@H](CO)NC(=O)CCCSC 240690a_100000732646_100000173376 [0,2,0,0,0,0|2,0,0]=4 14775 B13R0.1289 CCC[C@@H](CO)NC(=O)CCCSC 527a_100000732646_100000173376 [0,2,0,0,0,0|2,0,0]=4 14776 B13R0.1289 CCC[C@@H](CO)NC(=O)CCOCC 240690a_100000732646_100000749530 [0,2,0,0,0,0|2,0,0]=4 14777 B13R0.1289 CCC[C@@H](CO)NC(=O)CCOCC 527a_100000732646_100000749530 [0,2,0,0,0,0|2,0,0]=4 14778 B13R0.1289 CCC[C@@H](CO)NC(=O)CCSCC 240690a_100000732646_100000230768 [0,2,0,0,0,0|2,0,0]=4 14779 B13R0.1289 CCC[C@@H](CO)NC(=O)CCSCC 527a_100000732646_100000230768 [0,2,0,0,0,0|2,0,0]=4 14780 B13R0.801 CCCCCS(=O)(=O)N(C)CCCC 270084a_100000207549_100000753860 [0,2,0,0,0,0|2,0,0]=4 14781 B13R0.801 CCCCCS(=O)(=O)N(C)CCCC 274078a_100000207549_100000753860 [0,2,0,0,0,0|2,0,0]=4 14782 B13R0.41 CCC/C=C(\C)/C(=O)C(C)CCCC 1458a_200020648666_200011215066 [0,2,0,0,0,0|1,0,1]=4 14783 B13R0.41 CCCCC(C)C(=O)C(=O)NCCC 1458a_200011297150_200011215066 [0,2,0,0,0,0|2,0,0]=4 14784 B13R0.41 CCCCC(C)C(=O)C(C)CCCC 1458a_100000725509_200011215066 [0,2,0,0,0,0|1,0,0]=3 14785 B13R0.41 CCCCC(C)C(=O)C(O)CCCC 1458a_100000720857_200011215066 [0,2,0,0,0,0|1,0,0]=3 14786 B13R0.41 CCCCC(C)C(=O)C(O)CCSC 1458a_100000685904_200011215066 [0,2,0,0,0,0|2,0,0]=4 14787 B13R0.41 CCCCC(C)C(=O)N(C)CCCC 11a_100000207549_100000725509 [0,2,0,0,0,0|1,0,0]=3 14788 B13R0.41 CCCCC(C)C(=O)N(C)CCCC 1626a_100000207549_100000725509 [0,2,0,0,0,0|1,0,0]=3 14789 B13R0.41 CCCCC(C)C(=O)N(C)CCCC 240690a_100000207549_100000725509 [0,2,0,0,0,0|1,0,0]=3 14790 B13R0.41 CCCCC(C)C(=O)N(C)CCCC 527a_100000207549_100000725509 [0,2,0,0,0,0|1,0,0]=3 14791 B13R0.41 CCCCC(C)C(=O)N(C)CCCO 240690a_100000213112_100000725509 [0,2,0,0,0,0|2,0,0]=4 14792 B13R0.41 CCCCC(C)C(=O)N(C)CCCO 527a_100000213112_100000725509 [0,2,0,0,0,0|2,0,0]=4 14793 B13R0.41 CCCCC(C)C(=O)N(C)CCOC 11a_100000743101_100000725509 [0,2,0,0,0,0|2,0,0]=4 14794 B13R0.41 CCCCC(C)C(=O)N(C)CCOC 1626a_100000743101_100000725509 [0,2,0,0,0,0|2,0,0]=4 14795 B13R0.41 CCCCC(C)C(=O)N(C)CCOC 240690a_100000743101_100000725509 [0,2,0,0,0,0|2,0,0]=4 14796 B13R0.41 CCCCC(C)C(=O)N(C)CCOC 527a_100000743101_100000725509 [0,2,0,0,0,0|2,0,0]=4 14797 B13R0.41 CCCCC(C)C(=O)N(C)CCSC 11a_100000686725_100000725509 [0,2,0,0,0,0|2,0,0]=4 14798 B13R0.41 CCCCC(C)C(=O)N(C)CCSC 1626a_100000686725_100000725509 [0,2,0,0,0,0|2,0,0]=4 14799 B13R0.41 CCCCC(C)C(=O)N(C)CCSC 240690a_100000686725_100000725509 [0,2,0,0,0,0|2,0,0]=4 14800 B13R0.41 CCCCC(C)C(=O)N(C)CCSC 527a_100000686725_100000725509 [0,2,0,0,0,0|2,0,0]=4 14801 B13R0.41 CCCCC(O)C(=O)N(C)CCCC 240690a_100000207549_100000720857 [0,2,0,0,0,0|1,0,0]=3 14802 B13R0.41 CCCCC(O)C(=O)N(C)CCCC 527a_100000207549_100000720857 [0,2,0,0,0,0|1,0,0]=3 14803 B13R0.41 CCCCC(O)C(=O)N(C)CCCO 240690a_100000213112_100000720857 [0,2,0,0,0,0|2,0,0]=4 14804 B13R0.41 CCCCC(O)C(=O)N(C)CCCO 527a_100000213112_100000720857 [0,2,0,0,0,0|2,0,0]=4 14805 B13R0.41 CCCCC(O)C(=O)N(C)CCOC 240690a_100000743101_100000720857 [0,2,0,0,0,0|2,0,0]=4 14806 B13R0.41 CCCCC(O)C(=O)N(C)CCOC 527a_100000743101_100000720857 [0,2,0,0,0,0|2,0,0]=4 14807 B13R0.41 CCCCC(O)C(=O)N(C)CCSC 240690a_100000686725_100000720857 [0,2,0,0,0,0|2,0,0]=4 14808 B13R0.41 CCCCC(O)C(=O)N(C)CCSC 527a_100000686725_100000720857 [0,2,0,0,0,0|2,0,0]=4 14809 B13R0.41 CCCCN(C)C(=O)C(O)CCSC 240690a_100000207549_100000685904 [0,2,0,0,0,0|2,0,0]=4 14810 B13R0.513 CCCCC(C)(C)C(=O)CCCCF 1458a_100011216040_100000729493 [0,2,0,0,0,0|2,0,0]=4 14811 B13R0.513 CCCCC(C)(C)C(=O)CCCCO 1458a_100011216040_100000210776 [0,2,0,0,0,0|2,0,0]=4 14812 B13R0.513 CCCCC(C)(C)C(=O)CCCOC 1458a_100011216040_100000740836 [0,2,0,0,0,0|2,0,0]=4 14813 B13R0.513 CCCCC(C)(C)C(=O)CCOCC 1458a_100011216040_100011215890 [0,2,0,0,0,0|2,0,0]=4 14814 B13R0.513 CCCCC(C)(C)C(=O)CCSCC 1458a_100011216040_100000757381 [0,2,0,0,0,0|2,0,0]=4 14815 B13R0.513 CCCCC(C)(C)C(=O)NCCCF 11a_100015189416_100011216040 [0,2,0,0,0,0|2,0,0]=4 14816 B13R0.513 CCCCC(C)(C)C(=O)NCCCF 1626a_100015189416_100011216040 [0,2,0,0,0,0|2,0,0]=4 14817 B13R0.513 CCCCC(C)(C)C(=O)NCCCF 240690a_100015189416_100011216040 [0,2,0,0,0,0|2,0,0]=4 14818 B13R0.513 CCCCC(C)(C)C(=O)NCCCF 527a_100015189416_100011216040 [0,2,0,0,0,0|2,0,0]=4 14819 B13R0.513 CCCCC(C)(C)C(=O)NCCCO 240690a_100000182051_100011216040 [0,2,0,0,0,0|2,0,0]=4 14820 B13R0.513 CCCCC(C)(C)C(=O)NCCCO 527a_100000182051_100011216040 [0,2,0,0,0,0|2,0,0]=4 14821 B13R0.513 CCCCC(C)(C)C(=O)NCCOC 1626a_100000209980_100011216040 [0,2,0,0,0,0|2,0,0]=4 14822 B13R0.513 CCCCC(C)(C)C(=O)NCCOC 240690a_100000209980_100011216040 [0,2,0,0,0,0|2,0,0]=4 14823 B13R0.513 CCCCC(C)(C)C(=O)NCCOC 527a_100000209980_100011216040 [0,2,0,0,0,0|2,0,0]=4 14824 B13R0.513 CCCCC(C)(C)C(=O)NCCSC 11a_100020590264_100011216040 [0,2,0,0,0,0|2,0,0]=4 14825 B13R0.513 CCCCC(C)(C)C(=O)NCCSC 1626a_100020590264_100011216040 [0,2,0,0,0,0|2,0,0]=4 14826 B13R0.513 CCCCC(C)(C)C(=O)NCCSC 240690a_100020590264_100011216040 [0,2,0,0,0,0|2,0,0]=4 14827 B13R0.513 CCCCC(C)(C)C(=O)NCCSC 527a_100020590264_100011216040 [0,2,0,0,0,0|2,0,0]=4 14828 B13R0.513 CCCCC(C)(C)C(=O)NNCCC 22a_100000740057_100011216040 [0,2,0,0,0,0|2,0,0]=4 14829 B13R0.513 CCCCC(C)(O)C(=O)CCCCF 1458a_100000137666_100000729493 [0,2,0,0,0,0|2,0,0]=4 14830 B13R0.513 CCCCC(C)(O)C(=O)CCCCO 1458a_100000137666_100000210776 [0,2,0,0,0,0|2,0,0]=4 14831 B13R0.513 CCCCC(C)(O)C(=O)CCCOC 1458a_100000137666_100000740836 [0,2,0,0,0,0|2,0,0]=4 14832 B13R0.513 CCCCC(C)(O)C(=O)CCOCC 1458a_100000137666_100011215890 [0,2,0,0,0,0|2,0,0]=4 14833 B13R0.513 CCCCC(C)(O)C(=O)CCSCC 1458a_100000137666_100000757381 [0,2,0,0,0,0|2,0,0]=4 14834 B13R0.513 CCCCC(C)(O)C(=O)NCCCF 240690a_100015189416_100000137666 [0,2,0,0,0,0|2,0,0]=4 14835 B13R0.513 CCCCC(C)(O)C(=O)NCCCO 240690a_100000182051_100000137666 [0,2,0,0,0,0|2,0,0]=4 14836 B13R0.513 CCCCC(C)(O)C(=O)NCCOC 240690a_100000209980_100000137666 [0,2,0,0,0,0|2,0,0]=4 14837 B13R0.513 CCCCC(C)(O)C(=O)NCCSC 240690a_100020590264_100000137666 [0,2,0,0,0,0|2,0,0]=4 14838 B13R0.513 CCCCC(C)(O)C(=O)NNCCC 22a_100000740057_100000137666 [0,2,0,0,0,0|2,0,0]=4 14839 B13R0.513 CCCCC(F)(F)C(=O)CCCCF 1458a_100000100317_100000729493 [0,2,0,0,0,0|2,0,0]=4 14840 B13R0.513 CCCCC(F)(F)C(=O)CCCCO 1458a_100000100317_100000210776 [0,2,0,0,0,0|2,0,0]=4 14841 B13R0.513 CCCCC(F)(F)C(=O)CCCOC 1458a_100000100317_100000740836 [0,2,0,0,0,0|2,0,0]=4 14842 B13R0.513 CCCCC(F)(F)C(=O)CCOCC 1458a_100000100317_100011215890 [0,2,0,0,0,0|2,0,0]=4 14843 B13R0.513 CCCCC(F)(F)C(=O)CCSCC 1458a_100000100317_100000757381 [0,2,0,0,0,0|2,0,0]=4 14844 B13R0.513 CCCCC(F)(F)C(=O)NCCCF 11a_100015189416_100000100317 [0,2,0,0,0,0|2,0,0]=4 14845 B13R0.513 CCCCC(F)(F)C(=O)NCCCF 1626a_100015189416_100000100317 [0,2,0,0,0,0|2,0,0]=4 14846 B13R0.513 CCCCC(F)(F)C(=O)NCCCF 240690a_100015189416_100000100317 [0,2,0,0,0,0|2,0,0]=4 14847 B13R0.513 CCCCC(F)(F)C(=O)NCCCF 527a_100015189416_100000100317 [0,2,0,0,0,0|2,0,0]=4 14848 B13R0.513 CCCCC(F)(F)C(=O)NCCCO 240690a_100000182051_100000100317 [0,2,0,0,0,0|2,0,0]=4 14849 B13R0.513 CCCCC(F)(F)C(=O)NCCCO 527a_100000182051_100000100317 [0,2,0,0,0,0|2,0,0]=4 14850 B13R0.513 CCCCC(F)(F)C(=O)NCCOC 1626a_100000209980_100000100317 [0,2,0,0,0,0|2,0,0]=4 14851 B13R0.513 CCCCC(F)(F)C(=O)NCCOC 240690a_100000209980_100000100317 [0,2,0,0,0,0|2,0,0]=4 14852 B13R0.513 CCCCC(F)(F)C(=O)NCCOC 527a_100000209980_100000100317 [0,2,0,0,0,0|2,0,0]=4 14853 B13R0.513 CCCCC(F)(F)C(=O)NCCSC 11a_100020590264_100000100317 [0,2,0,0,0,0|2,0,0]=4 14854 B13R0.513 CCCCC(F)(F)C(=O)NCCSC 1626a_100020590264_100000100317 [0,2,0,0,0,0|2,0,0]=4 14855 B13R0.513 CCCCC(F)(F)C(=O)NCCSC 240690a_100020590264_100000100317 [0,2,0,0,0,0|2,0,0]=4 14856 B13R0.513 CCCCC(F)(F)C(=O)NCCSC 527a_100020590264_100000100317 [0,2,0,0,0,0|2,0,0]=4 14857 B13R0.513 CCCCC(F)(F)C(=O)NNCCC 22a_100000740057_100000100317 [0,2,0,0,0,0|2,0,0]=4 14858 B13R0.513 CCCCCC(=O)C(C)(C)CCCC 1458a_100011216040_100000210326 [0,2,0,0,0,0|1,0,0]=3 14859 B13R0.513 CCCCCC(=O)C(C)(O)CCCC 1458a_100000137666_100000210326 [0,2,0,0,0,0|1,0,0]=3 14860 B13R0.513 CCCCCC(=O)C(F)(F)CCCC 1458a_100000100317_100000210326 [0,2,0,0,0,0|1,0,0]=3 14861 B13R0.513 CCCCNC(=O)C(C)(C)CCCC 11a_100000102301_100011216040 [0,2,0,0,0,0|1,0,0]=3 14862 B13R0.513 CCCCNC(=O)C(C)(C)CCCC 1626a_100000102301_100011216040 [0,2,0,0,0,0|1,0,0]=3 14863 B13R0.513 CCCCNC(=O)C(C)(C)CCCC 240690a_100000102301_100011216040 [0,2,0,0,0,0|1,0,0]=3 14864 B13R0.513 CCCCNC(=O)C(C)(C)CCCC 527a_100000102301_100011216040 [0,2,0,0,0,0|1,0,0]=3 14865 B13R0.513 CCCCNC(=O)C(C)(O)CCCC 240690a_100000102301_100000137666 [0,2,0,0,0,0|1,0,0]=3 14866 B13R0.513 CCCCNC(=O)C(F)(F)CCCC 11a_100000102301_100000100317 [0,2,0,0,0,0|1,0,0]=3 14867 B13R0.513 CCCCNC(=O)C(F)(F)CCCC 1626a_100000102301_100000100317 [0,2,0,0,0,0|1,0,0]=3 14868 B13R0.513 CCCCNC(=O)C(F)(F)CCCC 240690a_100000102301_100000100317 [0,2,0,0,0,0|1,0,0]=3 14869 B13R0.513 CCCCNC(=O)C(F)(F)CCCC 527a_100000102301_100000100317 [0,2,0,0,0,0|1,0,0]=3 14870 B13R0.1281 CCCC#CC(=O)C(CC)CCCC 1458a_200011218047_200011216223 [0,2,0,0,0,0|1,0,1]=4 14871 B13R0.1281 CCCC=CC(=O)C(CC)CCCC 1458a_100000212230_200011216223 [0,2,0,0,0,0|1,0,1]=4 14872 B13R0.1281 CCCCC(CC)C(=O)CCCCF 1458a_100000211130_100000729493 [0,2,0,0,0,0|2,0,0]=4 14873 B13R0.1281 CCCCC(CC)C(=O)CCCCO 1458a_100000211130_100000210776 [0,2,0,0,0,0|2,0,0]=4 14874 B13R0.1281 CCCCC(CC)C(=O)CCCCO 1458a_100000695505_200011216223 [0,2,0,0,0,0|2,0,0]=4 14875 B13R0.1281 CCCCC(CC)C(=O)CCCOC 1458a_100000211130_100000740836 [0,2,0,0,0,0|2,0,0]=4 14876 B13R0.1281 CCCCC(CC)C(=O)CCCOC 1458a_100000741012_200011216223 [0,2,0,0,0,0|2,0,0]=4 14877 B13R0.1281 CCCCC(CC)C(=O)CCCSC 1458a_100000173376_200011216223 [0,2,0,0,0,0|2,0,0]=4 14878 B13R0.1281 CCCCC(CC)C(=O)CCOCC 1458a_100000211130_100011215890 [0,2,0,0,0,0|2,0,0]=4 14879 B13R0.1281 CCCCC(CC)C(=O)CCOCC 1458a_100000749530_200011216223 [0,2,0,0,0,0|2,0,0]=4 14880 B13R0.1281 CCCCC(CC)C(=O)CCSCC 1458a_100000211130_100000757381 [0,2,0,0,0,0|2,0,0]=4 14881 B13R0.1281 CCCCC(CC)C(=O)CCSCC 1458a_100000230768_200011216223 [0,2,0,0,0,0|2,0,0]=4 14882 B13R0.1281 CCCCC(CC)C(=O)COCCC 1458a_100000745993_200011216223 [0,2,0,0,0,0|2,0,0]=4 14883 B13R0.1281 CCCCC(CC)C(=O)CSCCC 1458a_100000217233_200011216223 [0,2,0,0,0,0|2,0,0]=4 14884 B13R0.1281 CCCCC(CC)C(=O)NCCCF 11a_100015189416_100000211130 [0,2,0,0,0,0|2,0,0]=4 14885 B13R0.1281 CCCCC(CC)C(=O)NCCCF 1626a_100015189416_100000211130 [0,2,0,0,0,0|2,0,0]=4 14886 B13R0.1281 CCCCC(CC)C(=O)NCCCF 240690a_100015189416_100000211130 [0,2,0,0,0,0|2,0,0]=4 14887 B13R0.1281 CCCCC(CC)C(=O)NCCCF 527a_100015189416_100000211130 [0,2,0,0,0,0|2,0,0]=4 14888 B13R0.1281 CCCCC(CC)C(=O)NCCCO 240690a_100000182051_100000211130 [0,2,0,0,0,0|2,0,0]=4 14889 B13R0.1281 CCCCC(CC)C(=O)NCCCO 527a_100000182051_100000211130 [0,2,0,0,0,0|2,0,0]=4 14890 B13R0.1281 CCCCC(CC)C(=O)NCCOC 1626a_100000209980_100000211130 [0,2,0,0,0,0|2,0,0]=4 14891 B13R0.1281 CCCCC(CC)C(=O)NCCOC 240690a_100000209980_100000211130 [0,2,0,0,0,0|2,0,0]=4 14892 B13R0.1281 CCCCC(CC)C(=O)NCCOC 527a_100000209980_100000211130 [0,2,0,0,0,0|2,0,0]=4 14893 B13R0.1281 CCCCC(CC)C(=O)NCCSC 11a_100020590264_100000211130 [0,2,0,0,0,0|2,0,0]=4 14894 B13R0.1281 CCCCC(CC)C(=O)NCCSC 1626a_100020590264_100000211130 [0,2,0,0,0,0|2,0,0]=4 14895 B13R0.1281 CCCCC(CC)C(=O)NCCSC 240690a_100020590264_100000211130 [0,2,0,0,0,0|2,0,0]=4 14896 B13R0.1281 CCCCC(CC)C(=O)NCCSC 527a_100020590264_100000211130 [0,2,0,0,0,0|2,0,0]=4 14897 B13R0.1281 CCCCC(CC)C(=O)NNCCC 22a_100000740057_100000211130 [0,2,0,0,0,0|2,0,0]=4 14898 B13R0.1281 CCCCCC(=O)C(CC)CCCC 1458a_100000211130_100000210326 [0,2,0,0,0,0|1,0,0]=3 14899 B13R0.1281 CCCCCC(=O)C(CC)CCCC 1458a_100000212188_200011216223 [0,2,0,0,0,0|1,0,0]=3 14900 B13R0.1281 CCCCCC(=O)N(CC)CCCC 11a_100000207695_100000212188 [0,2,0,0,0,0|1,0,0]=3 14901 B13R0.1281 CCCCCC(=O)N(CC)CCCC 1626a_100000207695_100000212188 [0,2,0,0,0,0|1,0,0]=3 14902 B13R0.1281 CCCCCC(=O)N(CC)CCCC 240690a_100000207695_100000212188 [0,2,0,0,0,0|1,0,0]=3 14903 B13R0.1281 CCCCCC(=O)N(CC)CCCC 527a_100000207695_100000212188 [0,2,0,0,0,0|1,0,0]=3 14904 B13R0.1281 CCCCCC(=O)N(CC)CCOC 11a_100000731262_100000212188 [0,2,0,0,0,0|2,0,0]=4 14905 B13R0.1281 CCCCCC(=O)N(CC)CCOC 1626a_100000731262_100000212188 [0,2,0,0,0,0|2,0,0]=4 14906 B13R0.1281 CCCCCC(=O)N(CC)CCOC 240690a_100000731262_100000212188 [0,2,0,0,0,0|2,0,0]=4 14907 B13R0.1281 CCCCCC(=O)N(CC)CCOC 527a_100000731262_100000212188 [0,2,0,0,0,0|2,0,0]=4 14908 B13R0.1281 CCCCN(CC)C(=O)CCCCO 1626a_100000207695_100000695505 [0,2,0,0,0,0|2,0,0]=4 14909 B13R0.1281 CCCCN(CC)C(=O)CCCOC 11a_100000207695_100000741012 [0,2,0,0,0,0|2,0,0]=4 14910 B13R0.1281 CCCCN(CC)C(=O)CCCOC 1626a_100000207695_100000741012 [0,2,0,0,0,0|2,0,0]=4 14911 B13R0.1281 CCCCN(CC)C(=O)CCCOC 240690a_100000207695_100000741012 [0,2,0,0,0,0|2,0,0]=4 14912 B13R0.1281 CCCCN(CC)C(=O)CCCOC 527a_100000207695_100000741012 [0,2,0,0,0,0|2,0,0]=4 14913 B13R0.1281 CCCCN(CC)C(=O)CCCSC 11a_100000207695_100000173376 [0,2,0,0,0,0|2,0,0]=4 14914 B13R0.1281 CCCCN(CC)C(=O)CCCSC 1626a_100000207695_100000173376 [0,2,0,0,0,0|2,0,0]=4 14915 B13R0.1281 CCCCN(CC)C(=O)CCCSC 240690a_100000207695_100000173376 [0,2,0,0,0,0|2,0,0]=4 14916 B13R0.1281 CCCCN(CC)C(=O)CCCSC 527a_100000207695_100000173376 [0,2,0,0,0,0|2,0,0]=4 14917 B13R0.1281 CCCCN(CC)C(=O)CCOCC 11a_100000207695_100000749530 [0,2,0,0,0,0|2,0,0]=4 14918 B13R0.1281 CCCCN(CC)C(=O)CCOCC 1626a_100000207695_100000749530 [0,2,0,0,0,0|2,0,0]=4 14919 B13R0.1281 CCCCN(CC)C(=O)CCOCC 240690a_100000207695_100000749530 [0,2,0,0,0,0|2,0,0]=4 14920 B13R0.1281 CCCCN(CC)C(=O)CCOCC 527a_100000207695_100000749530 [0,2,0,0,0,0|2,0,0]=4 14921 B13R0.1281 CCCCN(CC)C(=O)CCSCC 11a_100000207695_100000230768 [0,2,0,0,0,0|2,0,0]=4 14922 B13R0.1281 CCCCN(CC)C(=O)CCSCC 1626a_100000207695_100000230768 [0,2,0,0,0,0|2,0,0]=4 14923 B13R0.1281 CCCCN(CC)C(=O)CCSCC 240690a_100000207695_100000230768 [0,2,0,0,0,0|2,0,0]=4 14924 B13R0.1281 CCCCN(CC)C(=O)CCSCC 527a_100000207695_100000230768 [0,2,0,0,0,0|2,0,0]=4 14925 B13R0.1281 CCCCN(CC)C(=O)COCCC 11a_100000207695_100000745993 [0,2,0,0,0,0|2,0,0]=4 14926 B13R0.1281 CCCCN(CC)C(=O)COCCC 1626a_100000207695_100000745993 [0,2,0,0,0,0|2,0,0]=4 14927 B13R0.1281 CCCCN(CC)C(=O)COCCC 240690a_100000207695_100000745993 [0,2,0,0,0,0|2,0,0]=4 14928 B13R0.1281 CCCCN(CC)C(=O)COCCC 34a_100000210258_100000230192 [0,2,0,0,0,0|2,0,0]=4 14929 B13R0.1281 CCCCN(CC)C(=O)COCCC 527a_100000207695_100000745993 [0,2,0,0,0,0|2,0,0]=4 14930 B13R0.1281 CCCCN(CC)C(=O)CSCCC 11a_100000207695_100000217233 [0,2,0,0,0,0|2,0,0]=4 14931 B13R0.1281 CCCCN(CC)C(=O)CSCCC 1626a_100000207695_100000217233 [0,2,0,0,0,0|2,0,0]=4 14932 B13R0.1281 CCCCN(CC)C(=O)CSCCC 240690a_100000207695_100000217233 [0,2,0,0,0,0|2,0,0]=4 14933 B13R0.1281 CCCCN(CC)C(=O)CSCCC 527a_100000207695_100000217233 [0,2,0,0,0,0|2,0,0]=4 14934 B13R0.1281 CCCCN(CC)C(=O)CSCCC 62a_100000210303_100000230192 [0,2,0,0,0,0|2,0,0]=4 14935 B13R0.1281 CCCCNC(=O)C(CC)CCCC 11a_100000102301_100000211130 [0,2,0,0,0,0|1,0,0]=3 14936 B13R0.1281 CCCCNC(=O)C(CC)CCCC 1626a_100000102301_100000211130 [0,2,0,0,0,0|1,0,0]=3 14937 B13R0.1281 CCCCNC(=O)C(CC)CCCC 240690a_100000102301_100000211130 [0,2,0,0,0,0|1,0,0]=3 14938 B13R0.1281 CCCCNC(=O)C(CC)CCCC 527a_100000102301_100000211130 [0,2,0,0,0,0|1,0,0]=3 14939 B13R0.1281 CCCCNC(=O)C(CC)SCCC 62a_100000210303_200011763471 [0,2,0,0,0,0|2,0,0]=4 14940 B13R0.1281 CCCCNC(=O)C(CC)SCCC 62a_200011763471_100000210303 [0,2,0,0,0,0|2,0,0]=4 14941 B13R0.1281 CCCCNC(=O)N(CC)CCCC 2708a_100000102301_100000207695 [0,2,0,0,0,0|2,0,0]=4 14942 B13R0.1281 CCCCNC(=O)N(CC)CCCC 273464a_100000102301_100000207695 [0,2,0,0,0,0|2,0,0]=4 14943 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCC 34a_100020628826_100000210303 [0,2,0,0,0,0|1,0,0]=3 14944 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCC 7a_100020628826_100000210303 [0,2,0,0,0,0|1,0,0]=3 14945 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCF 34a_100020628826_100011217306 [0,2,0,0,0,0|2,0,0]=4 14946 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCF 7a_100020628826_100011217306 [0,2,0,0,0,0|2,0,0]=4 14947 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCO 34a_100020628826_100000211926 [0,2,0,0,0,0|2,0,0]=4 14948 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCO 7a_100020628826_100000211926 [0,2,0,0,0,0|2,0,0]=4 14949 B13R0.1281 CCCCOC(=O)[C@H](CC)OCSC 34a_100020628826_100011218213 [0,2,0,0,0,0|2,0,0]=4 14950 B13R0.1281 CCCCOC(C)C(CC)CCCC 34a_200011290779_100000210210 [0,2,0,0,0,0|1,0,1]=4 14951 B13R0.1281 CCCCOC(C)C(CC)CCCC 7a_200011290779_100000210211 [0,2,0,0,0,0|1,0,1]=4 14952 B11R1.4 BrCCCOCC1CCCC1 34a_100011217188_100000740388 [1,0,0,1,0,0|1,0,1]=4 14953 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [1,0,0,1,0,0|1,0,1]=4 14954 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [1,0,0,1,0,0|1,0,1]=4 14955 B11R1.4 CCCCCNC1CCCC1 2230a_100000209983_100000179811 [1,0,0,1,0,0|2,0,0]=4 14956 B11R1.4 CCCCCNC1CCCC1 2230a_100000211070_100000210326 [1,0,0,1,0,0|2,0,0]=4 14957 B11R1.4 CCCCCNC1CCCC1 270004a_100000209983_100000210133 [1,0,0,1,0,0|2,0,0]=4 14958 B11R1.4 CCCCCNC1CCCC1 34a_100000211070_100000718602 [1,0,0,1,0,0|2,0,0]=4 14959 B11R1.4 CCCCCOC1CCCC1 34a_100000210253_100000179811 [1,0,0,1,0,0|2,0,0]=4 14960 B11R1.4 CCCCCOC1CCCC1 34a_100000210269_100000718602 [1,0,0,1,0,0|2,0,0]=4 14961 B11R1.4 CCCCCOC1CCCC1 7a_100000210253_100000179811 [1,0,0,1,0,0|2,0,0]=4 14962 B11R1.4 CCCCCOC1CCCC1 7a_100000210269_100000210326 [1,0,0,1,0,0|2,0,0]=4 14963 B11R1.4 CCCCCSC1CCCC1 62a_100000210326_100000179811 [1,0,0,1,0,0|2,0,0]=4 14964 B11R1.4 CCCCCSC1CCCC1 62a_100011217020_100000210326 [1,0,0,1,0,0|2,0,0]=4 14965 B11R1.4 CCCCNCC1CCCC1 2230a_100000102301_100000740388 [1,0,0,1,0,0|1,0,1]=4 14966 B11R1.4 CCCCNCC1CCCC1 2230a_100000737975_100000210211 [1,0,0,1,0,0|1,0,1]=4 14967 B11R1.4 CCCCNCC1CCCC1 269862a_100000102301_100000746403 [1,0,0,1,0,0|1,0,1]=4 14968 B11R1.4 CCCCNCC1CCCC1 34a_100000737975_100000210210 [1,0,0,1,0,0|1,0,1]=4 14969 B11R1.4 CCCCNCC1CCCC1 7a_106832991798_100000740388 [1,0,0,1,0,0|1,0,1]=4 14970 B11R1.4 CCCCOCC1CCCC1 34a_100000210227_100000740388 [1,0,0,1,0,0|0,0,1]=3 14971 B11R1.4 CCCCOCC1CCCC1 34a_100000742336_100000210210 [1,0,0,1,0,0|0,0,1]=3 14972 B11R1.4 CCCCOCC1CCCC1 7a_100000210227_100000740388 [1,0,0,1,0,0|0,0,1]=3 14973 B11R1.4 CCCCOCC1CCCC1 7a_100000742336_100000210211 [1,0,0,1,0,0|0,0,1]=3 14974 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [1,0,0,1,0,0|1,0,1]=4 14975 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [1,0,0,1,0,0|1,0,1]=4 14976 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [1,0,0,1,0,0|1,0,1]=4 14977 B11R1.4 CCCCOCC1CCNC1 34a_100000748654_100000210210 [1,0,0,1,0,0|1,0,1]=4 14978 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [1,0,0,1,0,0|1,0,1]=4 14979 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [1,0,0,1,0,0|1,0,1]=4 14980 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [1,0,0,1,0,0|1,0,1]=4 14981 B11R1.4 CCCCOCN1CCCC1 2230a_100000188435_100011995733 [1,0,0,1,0,0|1,0,1]=4 14982 B11R1.4 CCCCOCN1CCCC1 269982a_100000188435_100011995733 [1,0,0,1,0,0|1,0,1]=4 14983 B11R1.4 CCCCOC[C@H]1CCCN1 34a_100000745186_100000210210 [1,0,0,1,0,0|1,0,1]=4 14984 B11R1.4 CCCCSCC1CCCC1 62a_100000210211_100000740388 [1,0,0,1,0,0|0,1,1]=4 14985 B11R1.4 CCCCSCC1CCCC1 62a_100000740388_100000210210 [1,0,0,1,0,0|0,1,1]=4 14986 B11R1.4 CCCNN=CC1CCCC1 4a_100000740057_100000746403 [1,0,0,1,0,0|2,0,0]=4 14987 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [1,0,0,1,0,0|1,0,1]=4 14988 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [1,0,0,1,0,0|1,0,1]=4 14989 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [1,0,0,1,0,0|1,0,1]=4 14990 B11R1.4 CSCCOCC1CCCC1 34a_100000230434_100000740388 [1,0,0,1,0,0|1,0,1]=4 14991 B11R1.4 CSCCOCC1CCCC1 34a_100000742336_100000212216 [1,0,0,1,0,0|1,0,1]=4 14992 B11R1.4 CSCCOCC1CCCC1 7a_100000230434_100000740388 [1,0,0,1,0,0|1,0,1]=4 14993 B11R1.4 CSCCOCC1CCCC1 7a_100000742336_100000212216 [1,0,0,1,0,0|1,0,1]=4 14994 B11R1.4 ClCCCOCC1CCCC1 34a_100000230001_100000740388 [1,0,0,1,0,0|1,0,1]=4 14995 B11R1.4 FCCCOCC1CCCC1 34a_100000742336_100011934791 [1,0,0,1,0,0|1,0,1]=4 14996 B11R1.4 FCCCOCC1CCCC1 34a_100000759539_100000740388 [1,0,0,1,0,0|1,0,1]=4 14997 B11R1.4 FCCCOCC1CCCC1 7a_100000742336_100011934791 [1,0,0,1,0,0|1,0,1]=4 14998 B11R1.4 NCCCOCC1CCCC1 34a_100000182051_100000740388 [1,0,0,1,0,0|1,0,1]=4 14999 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [1,0,0,1,0,0|1,0,1]=4 15000 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [1,0,0,1,0,0|1,0,1]=4 15001 B11R1.17 CCCCN1CCCCC1C 2230a_100000211376_100000210211 [1,0,0,1,0,0|1,0,1]=4 15002 B11R1.17 CCCCN1CCCCC1C 269982a_100000211376_100000210211 [1,0,0,1,0,0|1,0,1]=4 15003 B11R1.17 CCCCN1CCCCC1C 34a_100000211376_100000210210 [1,0,0,1,0,0|1,0,1]=4 15004 B11R1.18 CCCCC1C=CCN1CC 2230a_100015184376_100000210202 [1,0,0,1,0,0|2,0,0]=4 15005 B11R1.18 CCCCC1C=CCN1CC 269982a_100015184376_100000204670 [1,0,0,1,0,0|2,0,0]=4 15006 B11R1.18 CCCCC1C=CCN1CC 34a_100015184376_100000210202 [1,0,0,1,0,0|2,0,0]=4 15007 B11R1.18 CCCCN1CCCC1CC 2230a_100000754278_100000210211 [1,0,0,1,0,0|1,0,1]=4 15008 B11R1.18 CCCCN1CCCC1CC 269982a_100000754278_100000210211 [1,0,0,1,0,0|1,0,1]=4 15009 B11R1.18 CCCCN1CCCC1CC 34a_100000754278_100000210210 [1,0,0,1,0,0|1,0,1]=4 15010 B11R1.28 BrCCCOC1CCCCC1 34a_100011217188_100000210327 [1,0,0,1,0,0|1,0,1]=4 15011 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [1,0,0,1,0,0|1,0,1]=4 15012 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [1,0,0,1,0,0|1,0,1]=4 15013 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [1,0,0,1,0,0|1,0,1]=4 15014 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [1,0,0,1,0,0|1,0,1]=4 15015 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [1,0,0,1,0,0|0,0,1]=3 15016 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [1,0,0,1,0,0|0,0,1]=3 15017 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [1,0,0,1,0,0|0,0,1]=3 15018 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [1,0,0,1,0,0|0,0,1]=3 15019 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [1,0,0,1,0,0|1,0,1]=4 15020 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [1,0,0,1,0,0|1,0,1]=4 15021 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [1,0,0,1,0,0|1,0,1]=4 15022 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [1,0,0,1,0,0|1,0,1]=4 15023 B11R1.28 CCCCOC1CCCSC1 7a_100015962668_100000210211 [1,0,0,1,0,0|1,0,1]=4 15024 B11R1.28 CCCCOC1CCOCC1 34a_100000744328_100000210210 [1,0,0,1,0,0|1,0,1]=4 15025 B11R1.28 CCCCOC1CCOCC1 7a_100000210227_100000686592 [1,0,0,1,0,0|1,0,1]=4 15026 B11R1.28 CCCCOC1CCSCC1 34a_100000210227_100000069128 [1,0,0,1,0,0|1,0,1]=4 15027 B11R1.28 CCCCOC1CCSCC1 34a_100000731022_100000210210 [1,0,0,1,0,0|1,0,1]=4 15028 B11R1.28 CCCCOC1CCSCC1 7a_100000210227_100011500858 [1,0,0,1,0,0|1,0,1]=4 15029 B11R1.28 CCCCOC1CCSCC1 7a_100000731022_100000210211 [1,0,0,1,0,0|1,0,1]=4 15030 B11R1.28 CCCCSC1CCCCC1 62a_100000210211_100000210327 [1,0,0,1,0,0|0,1,1]=4 15031 B11R1.28 CCCCSC1CCCCC1 62a_100000210327_100000210210 [1,0,0,1,0,0|0,1,1]=4 15032 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [1,0,0,1,0,0|1,0,1]=4 15033 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [1,0,0,1,0,0|1,0,1]=4 15034 B11R1.28 CCCNN=C1CCCCC1 4a_100000740057_100000210434 [1,0,0,1,0,0|2,0,0]=4 15035 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [1,0,0,1,0,0|1,0,1]=4 15036 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [1,0,0,1,0,0|1,0,1]=4 15037 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [1,0,0,1,0,0|1,0,1]=4 15038 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [1,0,0,1,0,0|1,0,1]=4 15039 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [1,0,0,1,0,0|1,0,1]=4 15040 B11R1.28 CCNCCC1=CCCCC1 2230a_100000212019_100000210202 [1,0,0,1,0,0|2,0,0]=4 15041 B11R1.28 CCNCCC1=CCCCC1 34a_100000212019_100000210202 [1,0,0,1,0,0|2,0,0]=4 15042 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [1,0,0,1,0,0|1,0,1]=4 15043 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [1,0,0,1,0,0|1,0,1]=4 15044 B11R1.28 CCNCOC1CCCCC1 2230a_100015525214_100011935260 [1,0,0,1,0,0|1,0,1]=4 15045 B11R1.28 CCOCOC1CCCCC1 34a_100121572206_100011935260 [1,0,0,1,0,0|1,0,1]=4 15046 B11R1.28 CCSCOC1CCCCC1 62a_100000210202_100011935260 [1,0,0,1,0,0|1,0,1]=4 15047 B11R1.28 CCSCOC1CCCCC1 62a_100011935260_100000210202 [1,0,0,1,0,0|1,0,1]=4 15048 B11R1.28 CNCCOC1CCCCC1 2230a_106832991635_100011211530 [1,0,0,1,0,0|1,0,1]=4 15049 B11R1.28 CNCCOC1CCCCC1 34a_100015206981_200000210301 [1,0,0,1,0,0|1,0,1]=4 15050 B11R1.28 CNCCOC1CCCCC1 34a_100102657272_100011211530 [1,0,0,1,0,0|1,0,1]=4 15051 B11R1.28 CNCCOC1CCCCC1 7a_106832991635_100011211530 [1,0,0,1,0,0|1,0,1]=4 15052 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [1,0,0,1,0,0|1,0,1]=4 15053 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [1,0,0,1,0,0|1,0,1]=4 15054 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [1,0,0,1,0,0|1,0,1]=4 15055 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [1,0,0,1,0,0|1,0,1]=4 15056 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [1,0,0,1,0,0|1,0,1]=4 15057 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [1,0,0,1,0,0|1,0,1]=4 15058 B11R1.28 CSCCOC1CCCCC1 34a_100000210231_100000212216 [1,0,0,1,0,0|1,0,1]=4 15059 B11R1.28 CSCCOC1CCCCC1 34a_100000230434_100000210327 [1,0,0,1,0,0|1,0,1]=4 15060 B11R1.28 CSCCOC1CCCCC1 62a_100011211530_200000210301 [1,0,0,1,0,0|1,0,1]=4 15061 B11R1.28 CSCCOC1CCCCC1 62a_200000210301_100011211530 [1,0,0,1,0,0|1,0,1]=4 15062 B11R1.28 CSCCOC1CCCCC1 7a_100000210231_100000212216 [1,0,0,1,0,0|1,0,1]=4 15063 B11R1.28 CSCCOC1CCCCC1 7a_100000230434_100000210327 [1,0,0,1,0,0|1,0,1]=4 15064 B11R1.28 ClCCCOC1CCCCC1 34a_100000230001_100000210327 [1,0,0,1,0,0|1,0,1]=4 15065 B11R1.28 FCCCOC1CCCCC1 34a_100000210231_100011934791 [1,0,0,1,0,0|1,0,1]=4 15066 B11R1.28 FCCCOC1CCCCC1 34a_100000759539_100000210327 [1,0,0,1,0,0|1,0,1]=4 15067 B11R1.28 FCCCOC1CCCCC1 7a_100000210231_100011934791 [1,0,0,1,0,0|1,0,1]=4 15068 B11R1.28 NCCCOC1CCCCC1 34a_100000182051_100000210327 [1,0,0,1,0,0|1,0,1]=4 15069 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [1,0,0,1,0,0|1,0,1]=4 15070 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [1,0,0,1,0,0|1,0,1]=4 15071 B11R1.28 [13CH3]NCCOC1CCCCC1 34a_100015206981_200025704644 [1,0,0,1,0,0|1,0,1]=4 15072 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [1,0,0,1,0,0|1,0,1]=4 15073 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [1,0,0,1,0,0|1,0,1]=4 15074 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_100011211530_200025704644 [1,0,0,1,0,0|1,0,1]=4 15075 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_200025704644_100011211530 [1,0,0,1,0,0|1,0,1]=4 15076 B11R1.41 CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210303 [1,0,0,1,0,0|1,0,1]=4 15077 B11R1.41 CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210303 [1,0,0,1,0,0|1,0,1]=4 15078 B11R1.41 CCCN1CCOC[C@@H]1CC 34a_100016988097_100000210303 [1,0,0,1,0,0|1,0,1]=4 15079 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [1,0,0,1,0,0|2,0,0]=4 15080 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [1,0,0,1,0,0|2,0,0]=4 15081 B11R1.47 BrCCCCCOC1CCC1 34a_100000746331_100000749161 [1,0,0,1,0,0|1,0,1]=4 15082 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [1,0,0,1,0,0|1,0,1]=4 15083 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [1,0,0,1,0,0|1,0,1]=4 15084 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [1,0,0,1,0,0|1,0,1]=4 15085 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [1,0,0,1,0,0|0,0,1]=3 15086 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [1,0,0,1,0,0|0,0,1]=3 15087 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [1,0,0,1,0,0|1,0,1]=4 15088 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [1,0,0,1,0,0|1,0,1]=4 15089 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [1,0,0,1,0,0|1,0,1]=4 15090 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [1,0,0,1,0,0|0,1,1]=4 15091 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [1,0,0,1,0,0|2,0,0]=4 15092 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [1,0,0,1,0,0|2,0,0]=4 15093 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [1,0,0,1,0,0|2,0,0]=4 15094 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [1,0,0,1,0,0|2,0,0]=4 15095 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [1,0,0,1,0,0|2,0,0]=4 15096 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [1,0,0,1,0,0|2,0,0]=4 15097 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [1,0,0,1,0,0|2,0,0]=4 15098 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [1,0,0,1,0,0|2,0,0]=4 15099 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [1,0,0,1,0,0|2,0,0]=4 15100 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [1,0,0,1,0,0|1,0,1]=4 15101 B11R1.47 CCCCOCCN1CCC1 269982a_100000754969_100000743108 [1,0,0,1,0,0|1,0,1]=4 15102 B11R1.47 CCCCOCNC1CCC1 2230a_100000749019_100011995733 [1,0,0,1,0,0|1,0,1]=4 15103 B11R1.47 CCCCOCNC1CCC1 34a_100000749019_100011995733 [1,0,0,1,0,0|1,0,1]=4 15104 B11R1.47 CCCCOCOC1CCC1 34a_100000748187_100011995733 [1,0,0,1,0,0|1,0,1]=4 15105 B11R1.47 CCCCOCSC1CCC1 62a_100011995733_100000749161 [1,0,0,1,0,0|1,0,1]=4 15106 B11R1.47 CCCOCCOC1CCC1 34a_100000748187_100011215938 [1,0,0,1,0,0|1,0,1]=4 15107 B11R1.47 CCCOCCOC1CCC1 34a_100000752267_100000749161 [1,0,0,1,0,0|1,0,1]=4 15108 B11R1.47 CCCSCCOC1CCC1 34a_200000230433_100000749161 [1,0,0,1,0,0|1,0,1]=4 15109 B11R1.47 CCOCCCOC1CCC1 34a_100000748187_100012232248 [1,0,0,1,0,0|1,0,1]=4 15110 B11R1.47 CCOCCCOC1CCC1 34a_100000757476_100000749161 [1,0,0,1,0,0|1,0,1]=4 15111 B11R1.47 CCSCCCOC1CCC1 34a_100011216438_100000749161 [1,0,0,1,0,0|1,0,1]=4 15112 B11R1.47 COCCCCOC1CCC1 34a_100000740925_100000749161 [1,0,0,1,0,0|1,0,1]=4 15113 B11R1.47 COCCCCOC1CCC1 34a_100000748187_100000755781 [1,0,0,1,0,0|1,0,1]=4 15114 B11R1.47 CSCCCCOC1CCC1 34a_100011217163_100000749161 [1,0,0,1,0,0|1,0,1]=4 15115 B11R1.47 ClCCCCCOC1CCC1 34a_100000746330_100000749161 [1,0,0,1,0,0|1,0,1]=4 15116 B11R1.47 FCCCCCOC1CCC1 34a_100000748187_100000729378 [1,0,0,1,0,0|1,0,1]=4 15117 B11R1.47 ICCCCCOC1CCC1 34a_200012148887_100000749161 [1,0,0,1,0,0|1,0,1]=4 15118 B11R1.47 NCCCCCOC1CCC1 34a_100000762737_100000749161 [1,0,0,1,0,0|1,0,1]=4 15119 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [1,0,0,1,0,0|1,0,1]=4 15120 B11R1.99 BrCCCCCOCC1CC1 34a_100000746331_100000742324 [1,0,0,1,0,0|1,0,1]=4 15121 B11R1.99 BrCCCCCOCC1CC1 7a_100000746331_100000742324 [1,0,0,1,0,0|1,0,1]=4 15122 B11R1.99 CCCC/C=C/COC1CC1 34a_200016272032_100000211595 [1,0,0,1,0,0|2,0,0]=4 15123 B11R1.99 CCCCCC=NNC1CC1 4a_100000701032_100000737632 [1,0,0,1,0,0|2,0,0]=4 15124 B11R1.99 CCCCCCNCC1CC1 2230a_100000210581_100000742324 [1,0,0,1,0,0|1,0,1]=4 15125 B11R1.99 CCCCCCNCC1CC1 2230a_100000735609_100000210314 [1,0,0,1,0,0|1,0,1]=4 15126 B11R1.99 CCCCCCNCC1CC1 269862a_100000210581_100000741477 [1,0,0,1,0,0|1,0,1]=4 15127 B11R1.99 CCCCCCNCC1CC1 34a_100000735609_100000210314 [1,0,0,1,0,0|1,0,1]=4 15128 B11R1.99 CCCCCCOCC1CC1 34a_100000210259_100000742324 [1,0,0,1,0,0|0,0,1]=3 15129 B11R1.99 CCCCCCOCC1CC1 34a_100000211283_100000210314 [1,0,0,1,0,0|0,0,1]=3 15130 B11R1.99 CCCCCCOCC1CC1 7a_100000210259_100000742324 [1,0,0,1,0,0|0,0,1]=3 15131 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [1,0,0,1,0,0|1,0,1]=4 15132 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [1,0,0,1,0,0|1,0,1]=4 15133 B11R1.99 CCCCCCOCC1CS1 7a_100000210259_100000031435 [1,0,0,1,0,0|1,0,1]=4 15134 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [1,0,0,1,0,0|1,0,1]=4 15135 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [1,0,0,1,0,0|1,0,1]=4 15136 B11R1.99 CCCCCCSCC1CC1 62a_100000210314_100000742324 [1,0,0,1,0,0|0,1,1]=4 15137 B11R1.99 CCCCCCSCC1CC1 62a_100000756562_100000210757 [1,0,0,1,0,0|0,1,1]=4 15138 B11R1.99 CCCCCNCCC1CC1 2230a_100000209983_100000694398 [1,0,0,1,0,0|2,0,0]=4 15139 B11R1.99 CCCCCNCCC1CC1 34a_100000764129_100000718602 [1,0,0,1,0,0|2,0,0]=4 15140 B11R1.99 CCCCCOCCC1CC1 34a_100000210253_100000694398 [1,0,0,1,0,0|2,0,0]=4 15141 B11R1.99 CCCCCOCCC1CC1 34a_100000754188_100000718602 [1,0,0,1,0,0|2,0,0]=4 15142 B11R1.99 CCCCCOCCC1CC1 7a_100000210253_100000764125 [1,0,0,1,0,0|2,0,0]=4 15143 B11R1.99 CCCCCOCCC1CC1 7a_100000754188_100000210326 [1,0,0,1,0,0|2,0,0]=4 15144 B11R1.99 CCCCCSCCC1CC1 62a_100000210326_100000764125 [1,0,0,1,0,0|2,0,0]=4 15145 B11R1.99 CCCCCSCCC1CC1 62a_100000764125_100000210326 [1,0,0,1,0,0|2,0,0]=4 15146 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [1,0,0,1,0,0|1,0,1]=4 15147 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [1,0,0,1,0,0|1,0,1]=4 15148 B11R1.99 CCCCOCCNC1CC1 34a_100000212008_100000743108 [1,0,0,1,0,0|1,0,1]=4 15149 B11R1.99 CCCCOCCNC1CC1 34a_100000738766_100000210210 [1,0,0,1,0,0|1,0,1]=4 15150 B11R1.99 CCCCOCCOC1CC1 34a_100000210238_100000211595 [1,0,0,1,0,0|1,0,1]=4 15151 B11R1.99 CCCCOCCSC1CC1 62a_100000743108_100000211595 [1,0,0,1,0,0|1,0,1]=4 15152 B11R1.99 CCCCOCNCC1CC1 2230a_100000735609_100011995733 [1,0,0,1,0,0|1,0,1]=4 15153 B11R1.99 CCCCOCNCC1CC1 34a_100000735609_100011995733 [1,0,0,1,0,0|1,0,1]=4 15154 B11R1.99 CCCCOCOCC1CC1 34a_100000211283_100011995733 [1,0,0,1,0,0|1,0,1]=4 15155 B11R1.99 CCCCOCSCC1CC1 62a_100000756562_100011995733 [1,0,0,1,0,0|1,0,1]=4 15156 B11R1.99 CCCCOCSCC1CC1 62a_100011995733_100000742324 [1,0,0,1,0,0|1,0,1]=4 15157 B11R1.99 CCCOCCOCC1CC1 34a_100000211283_100011215938 [1,0,0,1,0,0|1,0,1]=4 15158 B11R1.99 CCCOCCOCC1CC1 34a_100000752267_100000742324 [1,0,0,1,0,0|1,0,1]=4 15159 B11R1.99 CCCOCCOCC1CC1 7a_100000752267_100000742324 [1,0,0,1,0,0|1,0,1]=4 15160 B11R1.99 CCCSCCOCC1CC1 34a_200000230433_100000742324 [1,0,0,1,0,0|1,0,1]=4 15161 B11R1.99 CCCSCCOCC1CC1 7a_200000230433_100000742324 [1,0,0,1,0,0|1,0,1]=4 15162 B11R1.99 CCOCCCOCC1CC1 34a_100000211283_100012232248 [1,0,0,1,0,0|1,0,1]=4 15163 B11R1.99 CCOCCCOCC1CC1 34a_100000757476_100000742324 [1,0,0,1,0,0|1,0,1]=4 15164 B11R1.99 CCOCCCOCC1CC1 7a_100000757476_100000742324 [1,0,0,1,0,0|1,0,1]=4 15165 B11R1.99 CCSCCCOCC1CC1 34a_100011216438_100000742324 [1,0,0,1,0,0|1,0,1]=4 15166 B11R1.99 CCSCCCOCC1CC1 7a_100011216438_100000742324 [1,0,0,1,0,0|1,0,1]=4 15167 B11R1.99 COCCCCOCC1CC1 34a_100000211283_100000755781 [1,0,0,1,0,0|1,0,1]=4 15168 B11R1.99 COCCCCOCC1CC1 34a_100000740925_100000742324 [1,0,0,1,0,0|1,0,1]=4 15169 B11R1.99 CSCCCCOCC1CC1 34a_100011217163_100000742324 [1,0,0,1,0,0|1,0,1]=4 15170 B11R1.99 CSCCCCOCC1CC1 7a_100011217163_100000742324 [1,0,0,1,0,0|1,0,1]=4 15171 B11R1.99 ClCCCCCOCC1CC1 34a_100000746330_100000742324 [1,0,0,1,0,0|1,0,1]=4 15172 B11R1.99 ClCCCCCOCC1CC1 7a_100000746330_100000742324 [1,0,0,1,0,0|1,0,1]=4 15173 B11R1.99 FCCCCCOCC1CC1 34a_100000211283_100000729378 [1,0,0,1,0,0|1,0,1]=4 15174 B11R1.99 ICCCCCOCC1CC1 34a_200012148887_100000742324 [1,0,0,1,0,0|1,0,1]=4 15175 B11R1.99 ICCCCCOCC1CC1 7a_200012148887_100000742324 [1,0,0,1,0,0|1,0,1]=4 15176 B11R1.99 NCCCCCOCC1CC1 34a_100000762737_100000742324 [1,0,0,1,0,0|1,0,1]=4 15177 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [1,0,0,1,0,0|1,0,1]=4 15178 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [1,0,0,1,0,0|2,0,0]=4 15179 B11R1.180 CC1CCCC1OCCCF 34a_100011216460_100011934791 [1,0,0,1,0,0|1,0,1]=4 15180 B11R1.180 CC1CCCC1OCCCF 7a_100011216460_100011934791 [1,0,0,1,0,0|1,0,1]=4 15181 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [1,0,0,1,0,0|1,0,1]=4 15182 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [1,0,0,1,0,0|1,0,1]=4 15183 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [1,0,0,1,0,0|2,0,0]=4 15184 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [1,0,0,1,0,0|2,0,0]=4 15185 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [1,0,0,1,0,0|2,0,0]=4 15186 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [1,0,0,1,0,0|2,0,0]=4 15187 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [1,0,0,1,0,0|2,0,0]=4 15188 B11R1.180 CCCCNC1CCCC1C 269862a_100000102301_100000752053 [1,0,0,1,0,0|1,0,1]=4 15189 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [1,0,0,1,0,0|0,0,1]=3 15190 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [1,0,0,1,0,0|0,0,1]=3 15191 B11R1.180 CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210210 [1,0,0,1,0,0|1,0,1]=4 15192 B11R1.180 CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210210 [1,0,0,1,0,0|1,0,1]=4 15193 B11R1.180 CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210210 [1,0,0,1,0,0|1,0,1]=4 15194 B11R1.180 CCCNN=C1CCCC1C 4a_100000740057_100000752053 [1,0,0,1,0,0|2,0,0]=4 15195 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [1,0,0,1,0,0|1,0,1]=4 15196 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [1,0,0,1,0,0|1,0,1]=4 15197 B11R1.180 CSCCOC1CCCC1C 34a_100011216460_100000212216 [1,0,0,1,0,0|1,0,1]=4 15198 B11R1.180 CSCCOC1CCCC1C 7a_100011216460_100000212216 [1,0,0,1,0,0|1,0,1]=4 15199 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [1,0,0,1,0,0|1,0,1]=4 15200 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [1,0,0,1,0,0|1,0,1]=4 15201 B11R1.190 CCCCOCN1CCC1C 269982a_100000755817_100011995733 [1,0,0,1,0,0|1,0,1]=4 15202 B11R1.190 CCCCOCN1CCC1C 34a_100000755817_100011995733 [1,0,0,1,0,0|1,0,1]=4 15203 B11R1.203 CCCCN1CCCCCC1 2230a_100000185865_100000210211 [1,0,0,1,0,0|1,0,1]=4 15204 B11R1.203 CCCCN1CCCCCC1 269982a_100000185865_100000210211 [1,0,0,1,0,0|1,0,1]=4 15205 B11R1.203 CCCCN1CCCCCC1 34a_100000185865_100000210210 [1,0,0,1,0,0|1,0,1]=4 15206 B11R1.24 CCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210211 [1,0,0,1,0,0|2,0,0]=4 15207 B11R1.24 CCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210211 [1,0,0,1,0,0|2,0,0]=4 15208 B11R1.24 CCCCN1CCC[C@@H](C1)C 34a_100000717927_100000210210 [1,0,0,1,0,0|2,0,0]=4 15209 B11R1.24 CCCOC1CCCC(C1)C 34a_100000211399_100000210303 [1,0,0,1,0,0|1,0,1]=4 15210 B11R1.27 CCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210326 [1,0,0,1,0,0|2,0,0]=4 15211 B11R1.27 CCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210215 [1,0,0,1,0,0|2,0,0]=4 15212 B11R1.27 CCCCCN1CC[C@H](C1)C 34a_100016987628_100000718602 [1,0,0,1,0,0|2,0,0]=4 15213 B11R1.27 CCCCOC1CCC(C1)C 34a_100000698185_100000210210 [1,0,0,1,0,0|1,0,1]=4 15214 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000210718_100000753159 [1,0,0,1,0,0|0,0,2]=4 15215 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000692101_100000179811 [1,0,0,1,0,0|0,0,2]=4 15216 B11R1.29 C/C=C/CC(=O)C1CCCC1 1458a_100000210718_100102629194 [1,0,0,1,0,0|0,0,2]=4 15217 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000210718_100000754431 [1,0,0,1,0,0|0,0,2]=4 15218 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000749702_100000179811 [1,0,0,1,0,0|0,0,2]=4 15219 B11R1.29 CC#CCC(=O)C1CCCC1 1458a_100000210718_100000748600 [1,0,0,1,0,0|0,0,2]=4 15220 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100000210718_100000070051 [1,0,0,1,0,0|0,0,2]=4 15221 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100121576822_100000179811 [1,0,0,1,0,0|0,0,2]=4 15222 B11R1.29 CCC#CC(=O)C1CCCC1 1458a_100011827653_100000179811 [1,0,0,1,0,0|0,0,2]=4 15223 B11R1.29 CCC=CC(=O)C1CCCC1 1458a_100000212282_100000179811 [1,0,0,1,0,0|0,0,2]=4 15224 B11R1.29 CCCCC(=O)C1=CCCC1 1458a_100000038896_100000210211 [1,0,0,1,0,0|0,0,2]=4 15225 B11R1.29 CCCCC(=O)C1CC=CC1 1458a_100000759439_100000210211 [1,0,0,1,0,0|0,0,2]=4 15226 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [1,0,0,1,0,0|0,0,0]=2 15227 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [1,0,0,1,0,0|0,0,0]=2 15228 B11R1.29 CCCCC(=O)C1CCCS1 1458a_100012002731_100000210211 [1,0,0,1,0,0|1,0,0]=3 15229 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100000210183_100000690089 [1,0,0,1,0,0|1,0,0]=3 15230 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100011219752_100000210211 [1,0,0,1,0,0|1,0,0]=3 15231 B11R1.29 CCCCC(=O)N1CCCC1 240690a_100000188435_100000210183 [1,0,0,1,0,0|1,0,0]=3 15232 B11R1.29 CCCCC(=O)N1CCCC1 527a_100000188435_100000210183 [1,0,0,1,0,0|1,0,0]=3 15233 B11R1.29 CCCCC(=O)N1CCSC1 11a_100011215254_100000210183 [1,0,0,1,0,0|2,0,0]=4 15234 B11R1.29 CCCCC(=O)N1CCSC1 240690a_100011215254_100000210183 [1,0,0,1,0,0|2,0,0]=4 15235 B11R1.29 CCCCC(=O)N1CCSC1 527a_100011215254_100000210183 [1,0,0,1,0,0|2,0,0]=4 15236 B11R1.29 CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210211 [1,0,0,1,0,0|1,0,0]=3 15237 B11R1.29 CCCCN(C)C1CCCC1 2230a_100000207505_100000210211 [1,0,0,1,0,0|2,0,0]=4 15238 B11R1.29 CCCCN(C)C1CCCC1 2230a_100000207549_100000179811 [1,0,0,1,0,0|2,0,0]=4 15239 B11R1.29 CCCCN(C)C1CCCC1 2230a_100015187791_200000210301 [1,0,0,1,0,0|2,0,0]=4 15240 B11R1.29 CCCCN(C)C1CCCC1 269982a_100000207505_100000210211 [1,0,0,1,0,0|2,0,0]=4 15241 B11R1.29 CCCCN(C)C1CCCC1 269982a_100000207549_100000179811 [1,0,0,1,0,0|2,0,0]=4 15242 B11R1.29 CCCCN(C)C1CCCC1 269982a_100015187791_200000210301 [1,0,0,1,0,0|2,0,0]=4 15243 B11R1.29 CCCCN(C)C1CCCC1 270004a_100000207549_100000210133 [1,0,0,1,0,0|2,0,0]=4 15244 B11R1.29 CCCCN(C)C1CCCC1 34a_100000207505_100000210210 [1,0,0,1,0,0|2,0,0]=4 15245 B11R1.29 CCCCN(C)C1CCCC1 34a_100015187791_200000210301 [1,0,0,1,0,0|2,0,0]=4 15246 B11R1.29 CCCCN([13CH3])C1CCCC1 2230a_100015187791_200025704644 [1,0,0,1,0,0|2,0,0]=4 15247 B11R1.29 CCCCN([13CH3])C1CCCC1 269982a_100015187791_200025704644 [1,0,0,1,0,0|2,0,0]=4 15248 B11R1.29 CCCCN([13CH3])C1CCCC1 34a_100015187791_200025704644 [1,0,0,1,0,0|2,0,0]=4 15249 B11R1.29 CCCNC(=O)C1CCCC1 11a_100020643023_100000210718 [1,0,0,1,0,0|1,0,0]=3 15250 B11R1.29 CCCNC(=O)C1CCCC1 1626a_100020643023_100000210718 [1,0,0,1,0,0|1,0,0]=3 15251 B11R1.29 CCCNC(=O)C1CCCC1 240690a_100020643023_100000210718 [1,0,0,1,0,0|1,0,0]=3 15252 B11R1.29 CCCNC(=O)C1CCCC1 527a_100020643023_100000210718 [1,0,0,1,0,0|1,0,0]=3 15253 B11R1.29 CCCNC(=O)C1CCCS1 11a_100020643023_100012002731 [1,0,0,1,0,0|2,0,0]=4 15254 B11R1.29 CCCNC(=O)C1CCCS1 1626a_100020643023_100012002731 [1,0,0,1,0,0|2,0,0]=4 15255 B11R1.29 CCCNC(=O)C1CCCS1 240690a_100020643023_100012002731 [1,0,0,1,0,0|2,0,0]=4 15256 B11R1.29 CCCNC(=O)C1CCCS1 527a_100020643023_100012002731 [1,0,0,1,0,0|2,0,0]=4 15257 B11R1.29 CCCNC(=O)C1CCOC1 11a_100020643023_100011219752 [1,0,0,1,0,0|2,0,0]=4 15258 B11R1.29 CCCNC(=O)C1CCOC1 1626a_100020643023_100011219752 [1,0,0,1,0,0|2,0,0]=4 15259 B11R1.29 CCCNC(=O)C1CCOC1 240690a_100020643023_100011219752 [1,0,0,1,0,0|2,0,0]=4 15260 B11R1.29 CCCNC(=O)C1CCOC1 527a_100020643023_100011219752 [1,0,0,1,0,0|2,0,0]=4 15261 B11R1.29 CCCNC(=O)N1CCCC1 2708a_100020643023_100000188435 [1,0,0,1,0,0|2,0,0]=4 15262 B11R1.29 CCCNC(=O)N1CCCC1 273464a_100020643023_100000188435 [1,0,0,1,0,0|2,0,0]=4 15263 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 11a_100020643023_100000686382 [1,0,0,1,0,0|2,0,0]=4 15264 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 1626a_100020643023_100000686382 [1,0,0,1,0,0|2,0,0]=4 15265 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 240690a_100020643023_100000686382 [1,0,0,1,0,0|2,0,0]=4 15266 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 527a_100020643023_100000686382 [1,0,0,1,0,0|2,0,0]=4 15267 B11R1.29 CCCOC(C)C1CCCC1 34a_100011216366_100000210303 [1,0,0,1,0,0|1,0,1]=4 15268 B11R1.29 CCCOC(C)C1CCCC1 7a_100011216366_100000210303 [1,0,0,1,0,0|1,0,1]=4 15269 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100000751844_100000210202 [1,0,0,1,0,0|2,0,0]=4 15270 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100015525214_100000183516 [1,0,0,1,0,0|2,0,0]=4 15271 B11R1.29 CCNNC(=O)C1CCCC1 22a_100000756455_100000210718 [1,0,0,1,0,0|2,0,0]=4 15272 B11R1.29 CCOCC(=O)C1CCCC1 1458a_100000211967_100000179811 [1,0,0,1,0,0|1,0,0]=3 15273 B11R1.29 CCOCC(=O)C1CCOC1 1458a_100000211967_100000690089 [1,0,0,1,0,0|2,0,0]=4 15274 B11R1.29 CCOCC(=O)N1CCCC1 240690a_100000188435_100000211967 [1,0,0,1,0,0|2,0,0]=4 15275 B11R1.29 CCOCC(=O)N1CCCC1 34a_100121572206_100000183516 [1,0,0,1,0,0|2,0,0]=4 15276 B11R1.29 CCOCC(=O)N1CCCC1 527a_100000188435_100000211967 [1,0,0,1,0,0|2,0,0]=4 15277 B11R1.29 CCOCC(=O)N1CCCC1 7a_200000752455_100000210202 [1,0,0,1,0,0|2,0,0]=4 15278 B11R1.29 CCSCC(=O)C1CCCC1 1458a_100000230394_100000179811 [1,0,0,1,0,0|1,0,0]=3 15279 B11R1.29 CCSCC(=O)C1CCOC1 1458a_100000230394_100000690089 [1,0,0,1,0,0|2,0,0]=4 15280 B11R1.29 CCSCC(=O)N1CCCC1 240690a_100000188435_100000230394 [1,0,0,1,0,0|2,0,0]=4 15281 B11R1.29 CCSCC(=O)N1CCCC1 527a_100000188435_100000230394 [1,0,0,1,0,0|2,0,0]=4 15282 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000183516_100000210202 [1,0,0,1,0,0|2,0,0]=4 15283 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000210202_100000183516 [1,0,0,1,0,0|2,0,0]=4 15284 B11R1.29 CNCCC(=O)N1CCCC1 2230a_106832991635_100011194422 [1,0,0,1,0,0|2,0,0]=4 15285 B11R1.29 CNCCC(=O)N1CCCC1 34a_100102657272_100011194422 [1,0,0,1,0,0|2,0,0]=4 15286 B11R1.29 CNCCC(=O)N1CCCC1 7a_106832991635_100011194422 [1,0,0,1,0,0|2,0,0]=4 15287 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000210718_100000233755 [1,0,0,1,0,0|1,0,0]=3 15288 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000749529_100000179811 [1,0,0,1,0,0|1,0,0]=3 15289 B11R1.29 COCCC(=O)C1CCCS1 1458a_100012002731_100000233755 [1,0,0,1,0,0|2,0,0]=4 15290 B11R1.29 COCCC(=O)C1CCOC1 1458a_100000749529_100000690089 [1,0,0,1,0,0|2,0,0]=4 15291 B11R1.29 COCCC(=O)C1CCOC1 1458a_100011219752_100000233755 [1,0,0,1,0,0|2,0,0]=4 15292 B11R1.29 COCCC(=O)N1CCCC1 240690a_100000188435_100000749529 [1,0,0,1,0,0|2,0,0]=4 15293 B11R1.29 COCCC(=O)N1CCCC1 34a_100138415774_100011194422 [1,0,0,1,0,0|2,0,0]=4 15294 B11R1.29 COCCC(=O)N1CCCC1 527a_100000188435_100000749529 [1,0,0,1,0,0|2,0,0]=4 15295 B11R1.29 COCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000233755 [1,0,0,1,0,0|2,0,0]=4 15296 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000174002_100000179811 [1,0,0,1,0,0|1,0,0]=3 15297 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000210718_100000751147 [1,0,0,1,0,0|1,0,0]=3 15298 B11R1.29 CSCCC(=O)C1CCCS1 1458a_100012002731_100000751147 [1,0,0,1,0,0|2,0,0]=4 15299 B11R1.29 CSCCC(=O)C1CCOC1 1458a_100000174002_100000690089 [1,0,0,1,0,0|2,0,0]=4 15300 B11R1.29 CSCCC(=O)C1CCOC1 1458a_100011219752_100000751147 [1,0,0,1,0,0|2,0,0]=4 15301 B11R1.29 CSCCC(=O)N1CCCC1 240690a_100000188435_100000174002 [1,0,0,1,0,0|2,0,0]=4 15302 B11R1.29 CSCCC(=O)N1CCCC1 527a_100000188435_100000174002 [1,0,0,1,0,0|2,0,0]=4 15303 B11R1.29 CSCCC(=O)N1CCCC1 62a_100011194422_200000210301 [1,0,0,1,0,0|2,0,0]=4 15304 B11R1.29 CSCCC(=O)N1CCCC1 62a_200000210301_100011194422 [1,0,0,1,0,0|2,0,0]=4 15305 B11R1.29 CSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000751147 [1,0,0,1,0,0|2,0,0]=4 15306 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100000210718_100011215226 [1,0,0,1,0,0|1,0,1]=4 15307 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100011934036_100000179811 [1,0,0,1,0,0|1,0,1]=4 15308 B11R1.29 O=C(CCCF)C1CCCC1 1458a_100000210718_100011934791 [1,0,0,1,0,0|1,0,0]=3 15309 B11R1.29 O=C(CCCF)C1CCCS1 1458a_100012002731_100011934791 [1,0,0,1,0,0|2,0,0]=4 15310 B11R1.29 O=C(CCCF)C1CCOC1 1458a_100011219752_100011934791 [1,0,0,1,0,0|2,0,0]=4 15311 B11R1.29 O=C(CCCF)[C@@H]1CCCO1 1458a_100000686382_100011934791 [1,0,0,1,0,0|2,0,0]=4 15312 B11R1.29 O=C(CCCO)C1CCCC1 1458a_100000210718_100011215043 [1,0,0,1,0,0|1,0,0]=3 15313 B11R1.29 O=C(CCCO)C1CCCS1 1458a_100012002731_100011215043 [1,0,0,1,0,0|2,0,0]=4 15314 B11R1.29 O=C(CCCO)C1CCOC1 1458a_100011219752_100011215043 [1,0,0,1,0,0|2,0,0]=4 15315 B11R1.29 O=C(CCCO)[C@@H]1CCCO1 1458a_100000686382_100011215043 [1,0,0,1,0,0|2,0,0]=4 15316 B11R1.29 O=C(NCCF)C1CCCC1 11a_100000724931_100000210718 [1,0,0,1,0,0|2,0,0]=4 15317 B11R1.29 O=C(NCCF)C1CCCC1 1626a_100000724931_100000210718 [1,0,0,1,0,0|2,0,0]=4 15318 B11R1.29 O=C(NCCF)C1CCCC1 240690a_100000724931_100000210718 [1,0,0,1,0,0|2,0,0]=4 15319 B11R1.29 O=C(NCCF)C1CCCC1 527a_100000724931_100000210718 [1,0,0,1,0,0|2,0,0]=4 15320 B11R1.29 O=C(NCCO)C1CCCC1 240690a_100000210304_100000210718 [1,0,0,1,0,0|2,0,0]=4 15321 B11R1.29 O=C(NCCO)C1CCCC1 527a_100000210304_100000210718 [1,0,0,1,0,0|2,0,0]=4 15322 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_100011194422_200025704644 [1,0,0,1,0,0|2,0,0]=4 15323 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_200025704644_100011194422 [1,0,0,1,0,0|2,0,0]=4 15324 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [1,0,0,1,0,0|2,0,0]=4 15325 B11R1.282 C#CCCC(=O)C1CC1CC 1458a_200011661523_100000753159 [1,0,0,1,0,0|0,0,2]=4 15326 B11R1.282 C/C=C/CC(=O)C1CC1CC 1458a_200011661523_100102629194 [1,0,0,1,0,0|0,0,2]=4 15327 B11R1.282 C=CCCC(=O)C1CC1CC 1458a_200011661523_100000754431 [1,0,0,1,0,0|0,0,2]=4 15328 B11R1.282 CC#CCC(=O)C1CC1CC 1458a_200011661523_100000748600 [1,0,0,1,0,0|0,0,2]=4 15329 B11R1.282 CC=CCC(=O)C1CC1CC 1458a_200011661523_100000070051 [1,0,0,1,0,0|0,0,2]=4 15330 B11R1.282 CCC1CC1C(=O)CCC#N 1458a_200011661523_100011215226 [1,0,0,1,0,0|1,0,1]=4 15331 B11R1.282 CCC1CC1C(=O)CCCF 1458a_200011661523_100011934791 [1,0,0,1,0,0|1,0,0]=3 15332 B11R1.282 CCC1CC1C(=O)CCCO 1458a_200011661523_100011215043 [1,0,0,1,0,0|1,0,0]=3 15333 B11R1.282 CCC1CC1C(=O)CCOC 1458a_200011661523_100000233755 [1,0,0,1,0,0|1,0,0]=3 15334 B11R1.282 CCC1CC1C(=O)CCSC 1458a_200011661523_100000751147 [1,0,0,1,0,0|1,0,0]=3 15335 B11R1.282 CCC1CC1C(=O)NCCF 11a_100000724931_200011661523 [1,0,0,1,0,0|2,0,0]=4 15336 B11R1.282 CCC1CC1C(=O)NCCF 1626a_100000724931_200011661523 [1,0,0,1,0,0|2,0,0]=4 15337 B11R1.282 CCC1CC1C(=O)NCCF 240690a_100000724931_200011661523 [1,0,0,1,0,0|2,0,0]=4 15338 B11R1.282 CCC1CC1C(=O)NCCF 527a_100000724931_200011661523 [1,0,0,1,0,0|2,0,0]=4 15339 B11R1.282 CCC1CC1C(=O)NCCO 240690a_100000210304_200011661523 [1,0,0,1,0,0|2,0,0]=4 15340 B11R1.282 CCC1CC1C(=O)NCCO 527a_100000210304_200011661523 [1,0,0,1,0,0|2,0,0]=4 15341 B11R1.282 CCCCC(=O)C1CC1CC 1458a_200011661523_100000210211 [1,0,0,1,0,0|0,0,0]=2 15342 B11R1.282 CCCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210211 [1,0,0,1,0,0|1,0,1]=4 15343 B11R1.282 CCCNC(=O)C1CC1CC 11a_100020643023_200011661523 [1,0,0,1,0,0|1,0,0]=3 15344 B11R1.282 CCCNC(=O)C1CC1CC 1626a_100020643023_200011661523 [1,0,0,1,0,0|1,0,0]=3 15345 B11R1.282 CCCNC(=O)C1CC1CC 240690a_100020643023_200011661523 [1,0,0,1,0,0|1,0,0]=3 15346 B11R1.282 CCCNC(=O)C1CC1CC 527a_100020643023_200011661523 [1,0,0,1,0,0|1,0,0]=3 15347 B11R1.282 CCNNC(=O)C1CC1CC 22a_100000756455_200011661523 [1,0,0,1,0,0|2,0,0]=4 15348 B11R1.283 CCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210183 [1,0,0,1,0,0|2,0,0]=4 15349 B11R1.283 CCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210183 [1,0,0,1,0,0|2,0,0]=4 15350 B11R1.283 CCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210183 [1,0,0,1,0,0|2,0,0]=4 15351 B11R1.283 CCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210183 [1,0,0,1,0,0|2,0,0]=4 15352 B11R1.283 CCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210183 [1,0,0,1,0,0|2,0,0]=4 15353 B11R1.283 CCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210183 [1,0,0,1,0,0|2,0,0]=4 15354 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000692101_100000763275 [1,0,0,1,0,0|0,0,2]=4 15355 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000763092_100000753159 [1,0,0,1,0,0|0,0,2]=4 15356 B11R1.284 C/C=C/CC(=O)CC1CCC1 1458a_100000763092_100102629194 [1,0,0,1,0,0|0,0,2]=4 15357 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000749702_100000763275 [1,0,0,1,0,0|0,0,2]=4 15358 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000763092_100000754431 [1,0,0,1,0,0|0,0,2]=4 15359 B11R1.284 CC#CCC(=O)CC1CCC1 1458a_100000763092_100000748600 [1,0,0,1,0,0|0,0,2]=4 15360 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100000763092_100000070051 [1,0,0,1,0,0|0,0,2]=4 15361 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100121576822_100000763275 [1,0,0,1,0,0|0,0,2]=4 15362 B11R1.284 CCC#CC(=O)CC1CCC1 1458a_100011827653_100000763275 [1,0,0,1,0,0|0,0,2]=4 15363 B11R1.284 CCC=CC(=O)CC1CCC1 1458a_100000212282_100000763275 [1,0,0,1,0,0|0,0,2]=4 15364 B11R1.284 CCCCC(=O)C=C1CCC1 1458a_100000686340_100000210211 [1,0,0,1,0,0|0,0,2]=4 15365 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000210183_100000763275 [1,0,0,1,0,0|0,0,0]=2 15366 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000763092_100000210211 [1,0,0,1,0,0|0,0,0]=2 15367 B11R1.284 CCCCC(=O)CC1CCO1 1458a_100000210183_100000103362 [1,0,0,1,0,0|1,0,0]=3 15368 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000210183_100010264016 [1,0,0,1,0,0|1,0,0]=3 15369 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000687760_100000210211 [1,0,0,1,0,0|1,0,0]=3 15370 B11R1.284 CCCCC(=O)NC1CCC1 11a_100000749019_100000210183 [1,0,0,1,0,0|1,0,0]=3 15371 B11R1.284 CCCCC(=O)NC1CCC1 1626a_100000749019_100000210183 [1,0,0,1,0,0|1,0,0]=3 15372 B11R1.284 CCCCC(=O)NC1CCC1 240690a_100000749019_100000210183 [1,0,0,1,0,0|1,0,0]=3 15373 B11R1.284 CCCCC(=O)NC1CCC1 527a_100000749019_100000210183 [1,0,0,1,0,0|1,0,0]=3 15374 B11R1.284 CCCCC(=O)NC1COC1 11a_100016991112_100000210183 [1,0,0,1,0,0|2,0,0]=4 15375 B11R1.284 CCCCC(=O)NC1COC1 1626a_100016991112_100000210183 [1,0,0,1,0,0|2,0,0]=4 15376 B11R1.284 CCCCC(=O)NC1COC1 240690a_100016991112_100000210183 [1,0,0,1,0,0|2,0,0]=4 15377 B11R1.284 CCCCC(=O)NC1COC1 527a_100016991112_100000210183 [1,0,0,1,0,0|2,0,0]=4 15378 B11R1.284 CCCCC(=O)NC1CSC1 11a_100016994217_100000210183 [1,0,0,1,0,0|2,0,0]=4 15379 B11R1.284 CCCCC(=O)NC1CSC1 1626a_100016994217_100000210183 [1,0,0,1,0,0|2,0,0]=4 15380 B11R1.284 CCCCC(=O)NC1CSC1 240690a_100016994217_100000210183 [1,0,0,1,0,0|2,0,0]=4 15381 B11R1.284 CCCCC(=O)NC1CSC1 527a_100016994217_100000210183 [1,0,0,1,0,0|2,0,0]=4 15382 B11R1.284 CCCCC(C)OC1CCC1 34a_100000687866_100000749161 [1,0,0,1,0,0|1,0,1]=4 15383 B11R1.284 CCCCC(C)OC1CCC1 34a_100000748187_200011215066 [1,0,0,1,0,0|1,0,1]=4 15384 B11R1.284 CCCCN(C)CC1CCC1 2230a_100000207549_100000763275 [1,0,0,1,0,0|2,0,0]=4 15385 B11R1.284 CCCCN(C)CC1CCC1 2230a_200000750244_100000210211 [1,0,0,1,0,0|2,0,0]=4 15386 B11R1.284 CCCCN(C)CC1CCC1 269982a_100000207549_100000763275 [1,0,0,1,0,0|2,0,0]=4 15387 B11R1.284 CCCCN(C)CC1CCC1 269982a_200000750244_100000210211 [1,0,0,1,0,0|2,0,0]=4 15388 B11R1.284 CCCCN(C)CC1CCC1 34a_200000750244_100000210210 [1,0,0,1,0,0|2,0,0]=4 15389 B11R1.284 CCCNC(=O)CC1CCC1 11a_100020643023_100000763092 [1,0,0,1,0,0|1,0,0]=3 15390 B11R1.284 CCCNC(=O)CC1CCC1 1626a_100020643023_100000763092 [1,0,0,1,0,0|1,0,0]=3 15391 B11R1.284 CCCNC(=O)CC1CCC1 240690a_100020643023_100000763092 [1,0,0,1,0,0|1,0,0]=3 15392 B11R1.284 CCCNC(=O)CC1CCC1 527a_100020643023_100000763092 [1,0,0,1,0,0|1,0,0]=3 15393 B11R1.284 CCCNC(=O)CC1COC1 11a_100020643023_100000687760 [1,0,0,1,0,0|2,0,0]=4 15394 B11R1.284 CCCNC(=O)CC1COC1 1626a_100020643023_100000687760 [1,0,0,1,0,0|2,0,0]=4 15395 B11R1.284 CCCNC(=O)CN1CCC1 269982a_100000754969_100000183358 [1,0,0,1,0,0|2,0,0]=4 15396 B11R1.284 CCCNC(=O)NC1CCC1 2708a_100020643023_100000749019 [1,0,0,1,0,0|2,0,0]=4 15397 B11R1.284 CCCNC(=O)NC1CCC1 273464a_100000749019_100020643023 [1,0,0,1,0,0|2,0,0]=4 15398 B11R1.284 CCCNC(=O)NC1CCC1 273464a_100020643023_100000749019 [1,0,0,1,0,0|2,0,0]=4 15399 B11R1.284 CCCNC(=O)NC1CCC1 512a_100000749019_100020643023 [1,0,0,1,0,0|2,0,0]=4 15400 B11R1.284 CCCNC(=O)NC1CCC1 512a_100020643023_100000749019 [1,0,0,1,0,0|2,0,0]=4 15401 B11R1.284 CCCOC(=O)CN1CCC1 269982a_100000754969_200011215008 [1,0,0,1,0,0|1,0,0]=3 15402 B11R1.284 CCNNC(=O)CC1CCC1 22a_100000756455_100000763092 [1,0,0,1,0,0|2,0,0]=4 15403 B11R1.284 CCOCC(=O)CC1CCC1 1458a_100000211967_100000763275 [1,0,0,1,0,0|1,0,0]=3 15404 B11R1.284 CCOCC(=O)CC1CCO1 1458a_100000211967_100000103362 [1,0,0,1,0,0|2,0,0]=4 15405 B11R1.284 CCOCC(=O)CC1COC1 1458a_100000211967_100010264016 [1,0,0,1,0,0|2,0,0]=4 15406 B11R1.284 CCOCC(=O)NC1CCC1 11a_100000749019_100000211967 [1,0,0,1,0,0|2,0,0]=4 15407 B11R1.284 CCOCC(=O)NC1CCC1 1626a_100000749019_100000211967 [1,0,0,1,0,0|2,0,0]=4 15408 B11R1.284 CCOCC(=O)NC1CCC1 240690a_100000749019_100000211967 [1,0,0,1,0,0|2,0,0]=4 15409 B11R1.284 CCOCC(=O)NC1CCC1 527a_100000749019_100000211967 [1,0,0,1,0,0|2,0,0]=4 15410 B11R1.284 CCSCC(=O)CC1CCC1 1458a_100000230394_100000763275 [1,0,0,1,0,0|1,0,0]=3 15411 B11R1.284 CCSCC(=O)CC1CCO1 1458a_100000230394_100000103362 [1,0,0,1,0,0|2,0,0]=4 15412 B11R1.284 CCSCC(=O)CC1COC1 1458a_100000230394_100010264016 [1,0,0,1,0,0|2,0,0]=4 15413 B11R1.284 CCSCC(=O)NC1CCC1 11a_100000749019_100000230394 [1,0,0,1,0,0|2,0,0]=4 15414 B11R1.284 CCSCC(=O)NC1CCC1 1626a_100000749019_100000230394 [1,0,0,1,0,0|2,0,0]=4 15415 B11R1.284 CCSCC(=O)NC1CCC1 240690a_100000749019_100000230394 [1,0,0,1,0,0|2,0,0]=4 15416 B11R1.284 CCSCC(=O)NC1CCC1 527a_100000749019_100000230394 [1,0,0,1,0,0|2,0,0]=4 15417 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000749529_100000763275 [1,0,0,1,0,0|1,0,0]=3 15418 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000763092_100000233755 [1,0,0,1,0,0|1,0,0]=3 15419 B11R1.284 COCCC(=O)CC1CCO1 1458a_100000749529_100000103362 [1,0,0,1,0,0|2,0,0]=4 15420 B11R1.284 COCCC(=O)CC1COC1 1458a_100000687760_100000233755 [1,0,0,1,0,0|2,0,0]=4 15421 B11R1.284 COCCC(=O)CC1COC1 1458a_100000749529_100010264016 [1,0,0,1,0,0|2,0,0]=4 15422 B11R1.284 COCCC(=O)NC1CCC1 11a_100000749019_100000749529 [1,0,0,1,0,0|2,0,0]=4 15423 B11R1.284 COCCC(=O)NC1CCC1 1626a_100000749019_100000749529 [1,0,0,1,0,0|2,0,0]=4 15424 B11R1.284 COCCC(=O)NC1CCC1 240690a_100000749019_100000749529 [1,0,0,1,0,0|2,0,0]=4 15425 B11R1.284 COCCC(=O)NC1CCC1 527a_100000749019_100000749529 [1,0,0,1,0,0|2,0,0]=4 15426 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000174002_100000763275 [1,0,0,1,0,0|1,0,0]=3 15427 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000763092_100000751147 [1,0,0,1,0,0|1,0,0]=3 15428 B11R1.284 CSCCC(=O)CC1CCO1 1458a_100000174002_100000103362 [1,0,0,1,0,0|2,0,0]=4 15429 B11R1.284 CSCCC(=O)CC1COC1 1458a_100000174002_100010264016 [1,0,0,1,0,0|2,0,0]=4 15430 B11R1.284 CSCCC(=O)CC1COC1 1458a_100000687760_100000751147 [1,0,0,1,0,0|2,0,0]=4 15431 B11R1.284 CSCCC(=O)NC1CCC1 11a_100000749019_100000174002 [1,0,0,1,0,0|2,0,0]=4 15432 B11R1.284 CSCCC(=O)NC1CCC1 1626a_100000749019_100000174002 [1,0,0,1,0,0|2,0,0]=4 15433 B11R1.284 CSCCC(=O)NC1CCC1 240690a_100000749019_100000174002 [1,0,0,1,0,0|2,0,0]=4 15434 B11R1.284 CSCCC(=O)NC1CCC1 527a_100000749019_100000174002 [1,0,0,1,0,0|2,0,0]=4 15435 B11R1.284 N#CCCC(=O)CC1CCC1 1458a_100000763092_100011215226 [1,0,0,1,0,0|1,0,1]=4 15436 B11R1.284 N#CCCC(=O)CC1CCC1 1458a_100011934036_100000763275 [1,0,0,1,0,0|1,0,1]=4 15437 B11R1.284 O=C(CC1CCC1)NCCF 11a_100000724931_100000763092 [1,0,0,1,0,0|2,0,0]=4 15438 B11R1.284 O=C(CC1CCC1)NCCF 1626a_100000724931_100000763092 [1,0,0,1,0,0|2,0,0]=4 15439 B11R1.284 O=C(CC1CCC1)NCCF 240690a_100000724931_100000763092 [1,0,0,1,0,0|2,0,0]=4 15440 B11R1.284 O=C(CC1CCC1)NCCF 527a_100000724931_100000763092 [1,0,0,1,0,0|2,0,0]=4 15441 B11R1.284 O=C(CC1CCC1)NCCO 240690a_100000210304_100000763092 [1,0,0,1,0,0|2,0,0]=4 15442 B11R1.284 O=C(CC1CCC1)NCCO 527a_100000210304_100000763092 [1,0,0,1,0,0|2,0,0]=4 15443 B11R1.284 O=C(CCCF)CC1CCC1 1458a_100000763092_100011934791 [1,0,0,1,0,0|1,0,0]=3 15444 B11R1.284 O=C(CCCF)CC1COC1 1458a_100000687760_100011934791 [1,0,0,1,0,0|2,0,0]=4 15445 B11R1.284 O=C(CCCO)CC1CCC1 1458a_100000763092_100011215043 [1,0,0,1,0,0|1,0,0]=3 15446 B11R1.284 O=C(CCCO)CC1COC1 1458a_100000687760_100011215043 [1,0,0,1,0,0|2,0,0]=4 15447 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000692101_100000694398 [1,0,0,1,0,0|0,0,2]=4 15448 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000756386_100000753159 [1,0,0,1,0,0|0,0,2]=4 15449 B11R1.285 C/C=C/CC(=O)CCC1CC1 1458a_100000756386_100102629194 [1,0,0,1,0,0|0,0,2]=4 15450 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000749702_100000694398 [1,0,0,1,0,0|0,0,2]=4 15451 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000756386_100000754431 [1,0,0,1,0,0|0,0,2]=4 15452 B11R1.285 CC#CCC(=O)CCC1CC1 1458a_100000756386_100000748600 [1,0,0,1,0,0|0,0,2]=4 15453 B11R1.285 CC=CCC(=O)CCC1CC1 1458a_100000756386_100000070051 [1,0,0,1,0,0|0,0,2]=4 15454 B11R1.285 CC=CCC(=O)CCC1CC1 1458a_100121576822_100000694398 [1,0,0,1,0,0|0,0,2]=4 15455 B11R1.285 CCC#CC(=O)CCC1CC1 1458a_100011827653_100000694398 [1,0,0,1,0,0|0,0,2]=4 15456 B11R1.285 CCC=CC(=O)CCC1CC1 1458a_100000212282_100000694398 [1,0,0,1,0,0|0,0,2]=4 15457 B11R1.285 CCCCC(=O)C=CC1CC1 1458a_100102529529_100000210211 [1,0,0,1,0,0|0,0,2]=4 15458 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000210183_100000694398 [1,0,0,1,0,0|0,0,0]=2 15459 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000756386_100000210211 [1,0,0,1,0,0|0,0,0]=2 15460 B11R1.285 CCCCC(=O)CCC1CO1 1458a_100000210183_100000732470 [1,0,0,1,0,0|1,0,0]=3 15461 B11R1.285 CCCCC(=O)NCC1CC1 11a_100000735609_100000210183 [1,0,0,1,0,0|1,0,0]=3 15462 B11R1.285 CCCCC(=O)NCC1CC1 1626a_100000735609_100000210183 [1,0,0,1,0,0|1,0,0]=3 15463 B11R1.285 CCCCC(=O)NCC1CC1 240690a_100000735609_100000210183 [1,0,0,1,0,0|1,0,0]=3 15464 B11R1.285 CCCCC(=O)NCC1CC1 527a_100000735609_100000210183 [1,0,0,1,0,0|1,0,0]=3 15465 B11R1.285 CCCCC(=O)NNC1CC1 22a_100000701032_100000210183 [1,0,0,1,0,0|2,0,0]=4 15466 B11R1.285 CCCCC(C)OCC1CC1 34a_100000211283_200011215066 [1,0,0,1,0,0|1,0,1]=4 15467 B11R1.285 CCCCC(C)OCC1CC1 34a_100000687866_100000742324 [1,0,0,1,0,0|1,0,1]=4 15468 B11R1.285 CCCCC(C)OCC1CC1 7a_100000687866_100000742324 [1,0,0,1,0,0|1,0,1]=4 15469 B11R1.285 CCCCN(C)CCC1CC1 2230a_100000207549_100000694398 [1,0,0,1,0,0|2,0,0]=4 15470 B11R1.285 CCCCN(C)CCC1CC1 269982a_100000207549_100000694398 [1,0,0,1,0,0|2,0,0]=4 15471 B11R1.285 CCCNC(=O)CCC1CC1 11a_100020643023_100000756386 [1,0,0,1,0,0|1,0,0]=3 15472 B11R1.285 CCCNC(=O)CCC1CC1 1626a_100020643023_100000756386 [1,0,0,1,0,0|1,0,0]=3 15473 B11R1.285 CCCNC(=O)CCC1CC1 240690a_100020643023_100000756386 [1,0,0,1,0,0|1,0,0]=3 15474 B11R1.285 CCCNC(=O)CCC1CC1 527a_100020643023_100000756386 [1,0,0,1,0,0|1,0,0]=3 15475 B11R1.285 CCCNC(=O)CNC1CC1 34a_100000212008_100000183358 [1,0,0,1,0,0|2,0,0]=4 15476 B11R1.285 CCCNC(=O)CSC1CC1 62a_100000183358_100000211595 [1,0,0,1,0,0|2,0,0]=4 15477 B11R1.285 CCCNC(=O)NCC1CC1 2708a_100000735609_100020643023 [1,0,0,1,0,0|2,0,0]=4 15478 B11R1.285 CCCNC(=O)NCC1CC1 2708a_100020643023_100000735609 [1,0,0,1,0,0|2,0,0]=4 15479 B11R1.285 CCCNC(=O)NCC1CC1 273464a_100000735609_100020643023 [1,0,0,1,0,0|2,0,0]=4 15480 B11R1.285 CCCNC(=O)NCC1CC1 273464a_100020643023_100000735609 [1,0,0,1,0,0|2,0,0]=4 15481 B11R1.285 CCCNC(=O)NCC1CC1 512a_100000735609_100020643023 [1,0,0,1,0,0|2,0,0]=4 15482 B11R1.285 CCCNC(=O)NCC1CC1 512a_100020643023_100000735609 [1,0,0,1,0,0|2,0,0]=4 15483 B11R1.285 CCCOC(=O)CNC1CC1 34a_100000212008_200011215008 [1,0,0,1,0,0|1,0,0]=3 15484 B11R1.285 CCCOC(=O)CSC1CC1 62a_200011215008_100000211595 [1,0,0,1,0,0|1,0,0]=3 15485 B11R1.285 CCNNC(=O)CCC1CC1 22a_100000756455_100000756386 [1,0,0,1,0,0|2,0,0]=4 15486 B11R1.285 CCOCC(=O)CCC1CC1 1458a_100000211967_100000694398 [1,0,0,1,0,0|1,0,0]=3 15487 B11R1.285 CCOCC(=O)CCC1CO1 1458a_100000211967_100000732470 [1,0,0,1,0,0|2,0,0]=4 15488 B11R1.285 CCOCC(=O)NCC1CC1 11a_100000735609_100000211967 [1,0,0,1,0,0|2,0,0]=4 15489 B11R1.285 CCOCC(=O)NCC1CC1 1626a_100000735609_100000211967 [1,0,0,1,0,0|2,0,0]=4 15490 B11R1.285 CCOCC(=O)NCC1CC1 240690a_100000735609_100000211967 [1,0,0,1,0,0|2,0,0]=4 15491 B11R1.285 CCOCC(=O)NCC1CC1 527a_100000735609_100000211967 [1,0,0,1,0,0|2,0,0]=4 15492 B11R1.285 CCSCC(=O)CCC1CC1 1458a_100000230394_100000694398 [1,0,0,1,0,0|1,0,0]=3 15493 B11R1.285 CCSCC(=O)CCC1CO1 1458a_100000230394_100000732470 [1,0,0,1,0,0|2,0,0]=4 15494 B11R1.285 CCSCC(=O)NCC1CC1 11a_100000735609_100000230394 [1,0,0,1,0,0|2,0,0]=4 15495 B11R1.285 CCSCC(=O)NCC1CC1 1626a_100000735609_100000230394 [1,0,0,1,0,0|2,0,0]=4 15496 B11R1.285 CCSCC(=O)NCC1CC1 240690a_100000735609_100000230394 [1,0,0,1,0,0|2,0,0]=4 15497 B11R1.285 CCSCC(=O)NCC1CC1 527a_100000735609_100000230394 [1,0,0,1,0,0|2,0,0]=4 15498 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000749529_100000694398 [1,0,0,1,0,0|1,0,0]=3 15499 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000756386_100000233755 [1,0,0,1,0,0|1,0,0]=3 15500 B11R1.285 COCCC(=O)CCC1CO1 1458a_100000749529_100000732470 [1,0,0,1,0,0|2,0,0]=4 15501 B11R1.285 COCCC(=O)NCC1CC1 11a_100000735609_100000749529 [1,0,0,1,0,0|2,0,0]=4 15502 B11R1.285 COCCC(=O)NCC1CC1 1626a_100000735609_100000749529 [1,0,0,1,0,0|2,0,0]=4 15503 B11R1.285 COCCC(=O)NCC1CC1 240690a_100000735609_100000749529 [1,0,0,1,0,0|2,0,0]=4 15504 B11R1.285 COCCC(=O)NCC1CC1 527a_100000735609_100000749529 [1,0,0,1,0,0|2,0,0]=4 15505 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000174002_100000694398 [1,0,0,1,0,0|1,0,0]=3 15506 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000756386_100000751147 [1,0,0,1,0,0|1,0,0]=3 15507 B11R1.285 CSCCC(=O)CCC1CO1 1458a_100000174002_100000732470 [1,0,0,1,0,0|2,0,0]=4 15508 B11R1.285 CSCCC(=O)NCC1CC1 11a_100000735609_100000174002 [1,0,0,1,0,0|2,0,0]=4 15509 B11R1.285 CSCCC(=O)NCC1CC1 1626a_100000735609_100000174002 [1,0,0,1,0,0|2,0,0]=4 15510 B11R1.285 CSCCC(=O)NCC1CC1 240690a_100000735609_100000174002 [1,0,0,1,0,0|2,0,0]=4 15511 B11R1.285 CSCCC(=O)NCC1CC1 527a_100000735609_100000174002 [1,0,0,1,0,0|2,0,0]=4 15512 B11R1.285 N#CCCC(=O)CCC1CC1 1458a_100000756386_100011215226 [1,0,0,1,0,0|1,0,1]=4 15513 B11R1.285 N#CCCC(=O)CCC1CC1 1458a_100011934036_100000694398 [1,0,0,1,0,0|1,0,1]=4 15514 B11R1.285 O=C(CCC1CC1)NCCF 11a_100000724931_100000756386 [1,0,0,1,0,0|2,0,0]=4 15515 B11R1.285 O=C(CCC1CC1)NCCF 1626a_100000724931_100000756386 [1,0,0,1,0,0|2,0,0]=4 15516 B11R1.285 O=C(CCC1CC1)NCCF 240690a_100000724931_100000756386 [1,0,0,1,0,0|2,0,0]=4 15517 B11R1.285 O=C(CCC1CC1)NCCF 527a_100000724931_100000756386 [1,0,0,1,0,0|2,0,0]=4 15518 B11R1.285 O=C(CCC1CC1)NCCO 240690a_100000210304_100000756386 [1,0,0,1,0,0|2,0,0]=4 15519 B11R1.285 O=C(CCC1CC1)NCCO 527a_100000210304_100000756386 [1,0,0,1,0,0|2,0,0]=4 15520 B11R1.285 O=C(CCCF)CCC1CC1 1458a_100000756386_100011934791 [1,0,0,1,0,0|1,0,0]=3 15521 B11R1.285 O=C(CCCO)CCC1CC1 1458a_100000756386_100011215043 [1,0,0,1,0,0|1,0,0]=3 15522 B11R1.286 CCCCC(=O)C1CCC1=O 1458a_100000210183_100009892977 [1,0,0,1,0,0|1,0,1]=4 15523 B11R1.286 CCCCC(=O)N1CCC1C 11a_100000755817_100000210183 [1,0,0,1,0,0|1,0,0]=3 15524 B11R1.286 CCCCC(=O)N1CCC1C 240690a_100000755817_100000210183 [1,0,0,1,0,0|1,0,0]=3 15525 B11R1.286 CCCCC(=O)N1CCC1C 527a_100000755817_100000210183 [1,0,0,1,0,0|1,0,0]=3 15526 B11R1.286 CCCNC(=O)N1CCC1C 2708a_100020643023_100000755817 [1,0,0,1,0,0|2,0,0]=4 15527 B11R1.286 CCCNC(=O)N1CCC1C 273464a_100020643023_100000755817 [1,0,0,1,0,0|2,0,0]=4 15528 B11R1.286 CCOCC(=O)N1CCC1C 11a_100000755817_100000211967 [1,0,0,1,0,0|2,0,0]=4 15529 B11R1.286 CCOCC(=O)N1CCC1C 240690a_100000755817_100000211967 [1,0,0,1,0,0|2,0,0]=4 15530 B11R1.286 CCOCC(=O)N1CCC1C 527a_100000755817_100000211967 [1,0,0,1,0,0|2,0,0]=4 15531 B11R1.286 CCSCC(=O)N1CCC1C 11a_100000755817_100000230394 [1,0,0,1,0,0|2,0,0]=4 15532 B11R1.286 CCSCC(=O)N1CCC1C 240690a_100000755817_100000230394 [1,0,0,1,0,0|2,0,0]=4 15533 B11R1.286 CCSCC(=O)N1CCC1C 527a_100000755817_100000230394 [1,0,0,1,0,0|2,0,0]=4 15534 B11R1.286 COCCC(=O)N1CCC1C 11a_100000755817_100000749529 [1,0,0,1,0,0|2,0,0]=4 15535 B11R1.286 COCCC(=O)N1CCC1C 240690a_100000755817_100000749529 [1,0,0,1,0,0|2,0,0]=4 15536 B11R1.286 COCCC(=O)N1CCC1C 527a_100000755817_100000749529 [1,0,0,1,0,0|2,0,0]=4 15537 B11R1.286 CSCCC(=O)N1CCC1C 11a_100000755817_100000174002 [1,0,0,1,0,0|2,0,0]=4 15538 B11R1.286 CSCCC(=O)N1CCC1C 240690a_100000755817_100000174002 [1,0,0,1,0,0|2,0,0]=4 15539 B11R1.286 CSCCC(=O)N1CCC1C 527a_100000755817_100000174002 [1,0,0,1,0,0|2,0,0]=4 15540 B11R1.299 C#CCCCC(=O)C1CCC1 1458a_100000209988_100000731252 [1,0,0,1,0,0|0,0,2]=4 15541 B11R1.299 C#CCCCC(=O)C1CCC1 1458a_100000690238_100000749161 [1,0,0,1,0,0|0,0,2]=4 15542 B11R1.299 C=CCCCC(=O)C1CCC1 1458a_100000209988_100000757094 [1,0,0,1,0,0|0,0,2]=4 15543 B11R1.299 C=CCCCC(=O)C1CCC1 1458a_100000766728_100000749161 [1,0,0,1,0,0|0,0,2]=4 15544 B11R1.299 CC/C=C/CC(=O)C1CCC1 1458a_100016274230_100000749161 [1,0,0,1,0,0|0,0,2]=4 15545 B11R1.299 CC/C=C\CC(=O)C1CCC1 1458a_100000209988_100103147603 [1,0,0,1,0,0|0,0,2]=4 15546 B11R1.299 CCC#CCC(=O)C1CCC1 1458a_100000209988_100009813939 [1,0,0,1,0,0|0,0,2]=4 15547 B11R1.299 CCCC#CC(=O)C1CCC1 1458a_200011218047_100000749161 [1,0,0,1,0,0|0,0,2]=4 15548 B11R1.299 CCCC=CC(=O)C1CCC1 1458a_100000212230_100000749161 [1,0,0,1,0,0|0,0,2]=4 15549 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000209988_100000210326 [1,0,0,1,0,0|0,0,0]=2 15550 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000212188_100000749161 [1,0,0,1,0,0|0,0,0]=2 15551 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [1,0,0,1,0,0|1,0,0]=3 15552 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000212188_100000687716 [1,0,0,1,0,0|1,0,0]=3 15553 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000758290_100000210326 [1,0,0,1,0,0|1,0,0]=3 15554 B11R1.299 CCCCCC(=O)N1CCC1 11a_100000754969_100000212188 [1,0,0,1,0,0|1,0,0]=3 15555 B11R1.299 CCCCCC(=O)N1CCC1 240690a_100000754969_100000212188 [1,0,0,1,0,0|1,0,0]=3 15556 B11R1.299 CCCCCC(=O)N1CCC1 527a_100000754969_100000212188 [1,0,0,1,0,0|1,0,0]=3 15557 B11R1.299 CCCCCN(C)C1CCC1 2230a_100000758072_100000210326 [1,0,0,1,0,0|2,0,0]=4 15558 B11R1.299 CCCCCN(C)C1CCC1 269982a_100000223495_100000749161 [1,0,0,1,0,0|2,0,0]=4 15559 B11R1.299 CCCCCN(C)C1CCC1 269982a_100000758072_100000210215 [1,0,0,1,0,0|2,0,0]=4 15560 B11R1.299 CCCCCN(C)C1CCC1 270004a_100000223495_100000241760 [1,0,0,1,0,0|2,0,0]=4 15561 B11R1.299 CCCCCN(C)C1CCC1 34a_100000758072_100000718602 [1,0,0,1,0,0|2,0,0]=4 15562 B11R1.299 CCCCNC(=O)C1CCC1 11a_100000102301_100000209988 [1,0,0,1,0,0|1,0,0]=3 15563 B11R1.299 CCCCNC(=O)C1CCC1 1626a_100000102301_100000209988 [1,0,0,1,0,0|1,0,0]=3 15564 B11R1.299 CCCCNC(=O)C1CCC1 240690a_100000102301_100000209988 [1,0,0,1,0,0|1,0,0]=3 15565 B11R1.299 CCCCNC(=O)C1CCC1 527a_100000102301_100000209988 [1,0,0,1,0,0|1,0,0]=3 15566 B11R1.299 CCCCNC(=O)C1CCO1 11a_100000102301_100000089072 [1,0,0,1,0,0|2,0,0]=4 15567 B11R1.299 CCCCNC(=O)C1CCO1 1626a_100000102301_100000089072 [1,0,0,1,0,0|2,0,0]=4 15568 B11R1.299 CCCCNC(=O)C1CCO1 240690a_100000102301_100000089072 [1,0,0,1,0,0|2,0,0]=4 15569 B11R1.299 CCCCNC(=O)C1CCO1 527a_100000102301_100000089072 [1,0,0,1,0,0|2,0,0]=4 15570 B11R1.299 CCCCNC(=O)C1COC1 11a_100000102301_100000758290 [1,0,0,1,0,0|2,0,0]=4 15571 B11R1.299 CCCCNC(=O)C1COC1 1626a_100000102301_100000758290 [1,0,0,1,0,0|2,0,0]=4 15572 B11R1.299 CCCCNC(=O)C1COC1 240690a_100000102301_100000758290 [1,0,0,1,0,0|2,0,0]=4 15573 B11R1.299 CCCCNC(=O)C1COC1 527a_100000102301_100000758290 [1,0,0,1,0,0|2,0,0]=4 15574 B11R1.299 CCCCNC(=O)N1CCC1 2708a_100000102301_100000754969 [1,0,0,1,0,0|2,0,0]=4 15575 B11R1.299 CCCCNC(=O)N1CCC1 273464a_100000102301_100000754969 [1,0,0,1,0,0|2,0,0]=4 15576 B11R1.299 CCCCOC(C)C1CCC1 34a_100000766398_100000210210 [1,0,0,1,0,0|1,0,1]=4 15577 B11R1.299 CCCCOC(C)C1CCC1 7a_100000766398_100000210211 [1,0,0,1,0,0|1,0,1]=4 15578 B11R1.299 CCCNNC(=O)C1CCC1 22a_100000740057_100000209988 [1,0,0,1,0,0|2,0,0]=4 15579 B11R1.299 CCCOCC(=O)C1CCC1 1458a_100000745993_100000749161 [1,0,0,1,0,0|1,0,0]=3 15580 B11R1.299 CCCOCC(=O)C1CCC1 34a_100000210258_100000686122 [1,0,0,1,0,0|1,0,0]=3 15581 B11R1.299 CCCOCC(=O)C1COC1 1458a_100000745993_100000687716 [1,0,0,1,0,0|2,0,0]=4 15582 B11R1.299 CCCOCC(=O)N1CCC1 11a_100000754969_100000745993 [1,0,0,1,0,0|2,0,0]=4 15583 B11R1.299 CCCOCC(=O)N1CCC1 240690a_100000754969_100000745993 [1,0,0,1,0,0|2,0,0]=4 15584 B11R1.299 CCCOCC(=O)N1CCC1 34a_100000210258_100000185095 [1,0,0,1,0,0|2,0,0]=4 15585 B11R1.299 CCCOCC(=O)N1CCC1 527a_100000754969_100000745993 [1,0,0,1,0,0|2,0,0]=4 15586 B11R1.299 CCCSCC(=O)C1CCC1 1458a_100000217233_100000749161 [1,0,0,1,0,0|1,0,0]=3 15587 B11R1.299 CCCSCC(=O)C1CCC1 62a_100000210303_100000686122 [1,0,0,1,0,0|1,0,0]=3 15588 B11R1.299 CCCSCC(=O)C1CCC1 62a_100000686122_100000210303 [1,0,0,1,0,0|1,0,0]=3 15589 B11R1.299 CCCSCC(=O)C1COC1 1458a_100000217233_100000687716 [1,0,0,1,0,0|2,0,0]=4 15590 B11R1.299 CCCSCC(=O)N1CCC1 11a_100000754969_100000217233 [1,0,0,1,0,0|2,0,0]=4 15591 B11R1.299 CCCSCC(=O)N1CCC1 240690a_100000754969_100000217233 [1,0,0,1,0,0|2,0,0]=4 15592 B11R1.299 CCCSCC(=O)N1CCC1 527a_100000754969_100000217233 [1,0,0,1,0,0|2,0,0]=4 15593 B11R1.299 CCCSCC(=O)N1CCC1 62a_100000185095_100000210303 [1,0,0,1,0,0|2,0,0]=4 15594 B11R1.299 CCCSCC(=O)N1CCC1 62a_100000210303_100000185095 [1,0,0,1,0,0|2,0,0]=4 15595 B11R1.299 CCOCCC(=O)C1CCC1 1458a_100000209988_100011215890 [1,0,0,1,0,0|1,0,0]=3 15596 B11R1.299 CCOCCC(=O)C1CCC1 1458a_100000749530_100000749161 [1,0,0,1,0,0|1,0,0]=3 15597 B11R1.299 CCOCCC(=O)C1CCO1 1458a_100000089072_100011215890 [1,0,0,1,0,0|2,0,0]=4 15598 B11R1.299 CCOCCC(=O)C1COC1 1458a_100000749530_100000687716 [1,0,0,1,0,0|2,0,0]=4 15599 B11R1.299 CCOCCC(=O)C1COC1 1458a_100000758290_100011215890 [1,0,0,1,0,0|2,0,0]=4 15600 B11R1.299 CCOCCC(=O)N1CCC1 11a_100000754969_100000749530 [1,0,0,1,0,0|2,0,0]=4 15601 B11R1.299 CCOCCC(=O)N1CCC1 240690a_100000754969_100000749530 [1,0,0,1,0,0|2,0,0]=4 15602 B11R1.299 CCOCCC(=O)N1CCC1 527a_100000754969_100000749530 [1,0,0,1,0,0|2,0,0]=4 15603 B11R1.299 CCSCCC(=O)C1CCC1 1458a_100000209988_100000757381 [1,0,0,1,0,0|1,0,0]=3 15604 B11R1.299 CCSCCC(=O)C1CCC1 1458a_100000230768_100000749161 [1,0,0,1,0,0|1,0,0]=3 15605 B11R1.299 CCSCCC(=O)C1CCO1 1458a_100000089072_100000757381 [1,0,0,1,0,0|2,0,0]=4 15606 B11R1.299 CCSCCC(=O)C1COC1 1458a_100000230768_100000687716 [1,0,0,1,0,0|2,0,0]=4 15607 B11R1.299 CCSCCC(=O)C1COC1 1458a_100000758290_100000757381 [1,0,0,1,0,0|2,0,0]=4 15608 B11R1.299 CCSCCC(=O)N1CCC1 11a_100000754969_100000230768 [1,0,0,1,0,0|2,0,0]=4 15609 B11R1.299 CCSCCC(=O)N1CCC1 240690a_100000754969_100000230768 [1,0,0,1,0,0|2,0,0]=4 15610 B11R1.299 CCSCCC(=O)N1CCC1 527a_100000754969_100000230768 [1,0,0,1,0,0|2,0,0]=4 15611 B11R1.299 CNCCNC(=O)C1CCC1 2230a_100000723847_200000210301 [1,0,0,1,0,0|2,0,0]=4 15612 B11R1.299 CNCCNC(=O)C1CCC1 34a_100000723847_200000210301 [1,0,0,1,0,0|2,0,0]=4 15613 B11R1.299 COCCCC(=O)C1CCC1 1458a_100000209988_100000740836 [1,0,0,1,0,0|1,0,0]=3 15614 B11R1.299 COCCCC(=O)C1CCC1 1458a_100000741012_100000749161 [1,0,0,1,0,0|1,0,0]=3 15615 B11R1.299 COCCCC(=O)C1CCO1 1458a_100000089072_100000740836 [1,0,0,1,0,0|2,0,0]=4 15616 B11R1.299 COCCCC(=O)C1COC1 1458a_100000741012_100000687716 [1,0,0,1,0,0|2,0,0]=4 15617 B11R1.299 COCCCC(=O)C1COC1 1458a_100000758290_100000740836 [1,0,0,1,0,0|2,0,0]=4 15618 B11R1.299 COCCCC(=O)N1CCC1 11a_100000754969_100000741012 [1,0,0,1,0,0|2,0,0]=4 15619 B11R1.299 COCCCC(=O)N1CCC1 240690a_100000754969_100000741012 [1,0,0,1,0,0|2,0,0]=4 15620 B11R1.299 COCCCC(=O)N1CCC1 527a_100000754969_100000741012 [1,0,0,1,0,0|2,0,0]=4 15621 B11R1.299 COCCNC(=O)C1CCC1 1626a_100000209980_100000209988 [1,0,0,1,0,0|2,0,0]=4 15622 B11R1.299 COCCNC(=O)C1CCC1 240690a_100000209980_100000209988 [1,0,0,1,0,0|2,0,0]=4 15623 B11R1.299 COCCNC(=O)C1CCC1 527a_100000209980_100000209988 [1,0,0,1,0,0|2,0,0]=4 15624 B11R1.299 COCSCC(=O)C1CCC1 62a_100000686122_100000766300 [1,0,0,1,0,0|2,0,0]=4 15625 B11R1.299 COCSCC(=O)C1CCC1 62a_100000766300_100000686122 [1,0,0,1,0,0|2,0,0]=4 15626 B11R1.299 CSCCCC(=O)C1CCC1 1458a_100000173376_100000749161 [1,0,0,1,0,0|1,0,0]=3 15627 B11R1.299 CSCCCC(=O)C1COC1 1458a_100000173376_100000687716 [1,0,0,1,0,0|2,0,0]=4 15628 B11R1.299 CSCCCC(=O)N1CCC1 11a_100000754969_100000173376 [1,0,0,1,0,0|2,0,0]=4 15629 B11R1.299 CSCCCC(=O)N1CCC1 240690a_100000754969_100000173376 [1,0,0,1,0,0|2,0,0]=4 15630 B11R1.299 CSCCCC(=O)N1CCC1 527a_100000754969_100000173376 [1,0,0,1,0,0|2,0,0]=4 15631 B11R1.299 CSCCNC(=O)C1CCC1 11a_100020590264_100000209988 [1,0,0,1,0,0|2,0,0]=4 15632 B11R1.299 CSCCNC(=O)C1CCC1 1626a_100020590264_100000209988 [1,0,0,1,0,0|2,0,0]=4 15633 B11R1.299 CSCCNC(=O)C1CCC1 240690a_100020590264_100000209988 [1,0,0,1,0,0|2,0,0]=4 15634 B11R1.299 CSCCNC(=O)C1CCC1 527a_100020590264_100000209988 [1,0,0,1,0,0|2,0,0]=4 15635 B11R1.299 CSCSCC(=O)C1CCC1 62a_100000686122_100011218213 [1,0,0,1,0,0|2,0,0]=4 15636 B11R1.299 CSCSCC(=O)C1CCC1 62a_100011218213_100000686122 [1,0,0,1,0,0|2,0,0]=4 15637 B11R1.299 N#CCCCC(=O)C1CCC1 1458a_100000075515_100000749161 [1,0,0,1,0,0|1,0,1]=4 15638 B11R1.299 N#CCCCC(=O)C1CCC1 1458a_100000209988_100000211468 [1,0,0,1,0,0|1,0,1]=4 15639 B11R1.299 NCCOCC(=O)C1CCC1 34a_100000210304_100000686122 [1,0,0,1,0,0|2,0,0]=4 15640 B11R1.299 O=C(CCCCF)C1CCC1 1458a_100000209988_100000729493 [1,0,0,1,0,0|1,0,0]=3 15641 B11R1.299 O=C(CCCCF)C1CCO1 1458a_100000089072_100000729493 [1,0,0,1,0,0|2,0,0]=4 15642 B11R1.299 O=C(CCCCF)C1COC1 1458a_100000758290_100000729493 [1,0,0,1,0,0|2,0,0]=4 15643 B11R1.299 O=C(CCCCO)C1CCC1 1458a_100000209988_100000210776 [1,0,0,1,0,0|1,0,0]=3 15644 B11R1.299 O=C(CCCCO)C1CCC1 1458a_100000695505_100000749161 [1,0,0,1,0,0|1,0,0]=3 15645 B11R1.299 O=C(CCCCO)C1CCO1 1458a_100000089072_100000210776 [1,0,0,1,0,0|2,0,0]=4 15646 B11R1.299 O=C(CCCCO)C1COC1 1458a_100000695505_100000687716 [1,0,0,1,0,0|2,0,0]=4 15647 B11R1.299 O=C(CCCCO)C1COC1 1458a_100000758290_100000210776 [1,0,0,1,0,0|2,0,0]=4 15648 B11R1.299 O=C(CNCCF)C1CCC1 34a_100000724931_100000686122 [1,0,0,1,0,0|2,0,0]=4 15649 B11R1.299 O=C(CNCCO)C1CCC1 2230a_100016997473_100000686122 [1,0,0,1,0,0|2,0,0]=4 15650 B11R1.299 O=C(CNCCO)C1CCC1 34a_100016990907_100000686122 [1,0,0,1,0,0|2,0,0]=4 15651 B11R1.299 O=C(COCCBr)C1CCC1 34a_100000211926_100000686122 [1,0,0,1,0,0|2,0,0]=4 15652 B11R1.299 O=C(COCCO)C1CCC1 1458a_100000708028_100000749161 [1,0,0,1,0,0|2,0,0]=4 15653 B11R1.299 O=C(CSCCF)C1CCC1 62a_100000686122_100011217306 [1,0,0,1,0,0|2,0,0]=4 15654 B11R1.299 O=C(CSCCF)C1CCC1 62a_100011217306_100000686122 [1,0,0,1,0,0|2,0,0]=4 15655 B11R1.299 O=C(CSCCO)C1CCC1 62a_100000211926_100000686122 [1,0,0,1,0,0|2,0,0]=4 15656 B11R1.299 O=C(CSCCO)C1CCC1 62a_100000686122_100000211926 [1,0,0,1,0,0|2,0,0]=4 15657 B11R1.299 O=C(NCCCF)C1CCC1 11a_100015189416_100000209988 [1,0,0,1,0,0|2,0,0]=4 15658 B11R1.299 O=C(NCCCF)C1CCC1 1626a_100015189416_100000209988 [1,0,0,1,0,0|2,0,0]=4 15659 B11R1.299 O=C(NCCCF)C1CCC1 240690a_100015189416_100000209988 [1,0,0,1,0,0|2,0,0]=4 15660 B11R1.299 O=C(NCCCF)C1CCC1 527a_100015189416_100000209988 [1,0,0,1,0,0|2,0,0]=4 15661 B11R1.299 O=C(NCCCO)C1CCC1 240690a_100000182051_100000209988 [1,0,0,1,0,0|2,0,0]=4 15662 B11R1.299 O=C(NCCCO)C1CCC1 527a_100000182051_100000209988 [1,0,0,1,0,0|2,0,0]=4 15663 B11R1.299 [13CH3]NCCNC(=O)C1CCC1 2230a_100000723847_200025704644 [1,0,0,1,0,0|2,0,0]=4 15664 B11R1.299 [13CH3]NCCNC(=O)C1CCC1 34a_100000723847_200025704644 [1,0,0,1,0,0|2,0,0]=4 15665 B11R1.301 C#CCCCC(=O)CC1CC1 1458a_100000690238_100000742324 [1,0,0,1,0,0|0,0,2]=4 15666 B11R1.301 C#CCCCC(=O)CC1CC1 1458a_100000738066_100000731252 [1,0,0,1,0,0|0,0,2]=4 15667 B11R1.301 C=CCCCC(=O)CC1CC1 1458a_100000738066_100000757094 [1,0,0,1,0,0|0,0,2]=4 15668 B11R1.301 C=CCCCC(=O)CC1CC1 1458a_100000766728_100000742324 [1,0,0,1,0,0|0,0,2]=4 15669 B11R1.301 CC/C=C/CC(=O)CC1CC1 1458a_100016274230_100000742324 [1,0,0,1,0,0|0,0,2]=4 15670 B11R1.301 CC/C=C\CC(=O)CC1CC1 1458a_100000738066_100103147603 [1,0,0,1,0,0|0,0,2]=4 15671 B11R1.301 CCC#CCC(=O)CC1CC1 1458a_100000738066_100009813939 [1,0,0,1,0,0|0,0,2]=4 15672 B11R1.301 CCCC#CC(=O)CC1CC1 1458a_200011218047_100000742324 [1,0,0,1,0,0|0,0,2]=4 15673 B11R1.301 CCCC=CC(=O)CC1CC1 1458a_100000212230_100000742324 [1,0,0,1,0,0|0,0,2]=4 15674 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [1,0,0,1,0,0|0,0,0]=2 15675 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [1,0,0,1,0,0|0,0,0]=2 15676 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [1,0,0,1,0,0|1,0,0]=3 15677 B11R1.301 CCCCCC(=O)CC1CS1 1458a_100000212188_100000031435 [1,0,0,1,0,0|1,0,0]=3 15678 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [1,0,0,1,0,0|1,0,0]=3 15679 B11R1.301 CCCCCC(=O)NC1CC1 1626a_100000212008_100000212188 [1,0,0,1,0,0|1,0,0]=3 15680 B11R1.301 CCCCCC(=O)NC1CC1 240690a_100000212008_100000212188 [1,0,0,1,0,0|1,0,0]=3 15681 B11R1.301 CCCCCC(=O)NC1CC1 527a_100000212008_100000212188 [1,0,0,1,0,0|1,0,0]=3 15682 B11R1.301 CCCCCC(C)OC1CC1 34a_100011215632_100000211595 [1,0,0,1,0,0|1,0,1]=4 15683 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000223495_100000742324 [1,0,0,1,0,0|2,0,0]=4 15684 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000741881_100000210326 [1,0,0,1,0,0|2,0,0]=4 15685 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000223495_100000756562 [1,0,0,1,0,0|2,0,0]=4 15686 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000741881_100000210215 [1,0,0,1,0,0|2,0,0]=4 15687 B11R1.301 CCCCNC(=O)CC1CC1 11a_100000102301_100000738066 [1,0,0,1,0,0|1,0,0]=3 15688 B11R1.301 CCCCNC(=O)CC1CC1 1626a_100000102301_100000738066 [1,0,0,1,0,0|1,0,0]=3 15689 B11R1.301 CCCCNC(=O)CC1CC1 240690a_100000102301_100000738066 [1,0,0,1,0,0|1,0,0]=3 15690 B11R1.301 CCCCNC(=O)CC1CC1 527a_100000102301_100000738066 [1,0,0,1,0,0|1,0,0]=3 15691 B11R1.301 CCCCNC(=O)NC1CC1 2708a_100000102301_100000212008 [1,0,0,1,0,0|2,0,0]=4 15692 B11R1.301 CCCCNC(=O)NC1CC1 2708a_100000212008_100000102301 [1,0,0,1,0,0|2,0,0]=4 15693 B11R1.301 CCCCNC(=O)NC1CC1 273464a_100000102301_100000212008 [1,0,0,1,0,0|2,0,0]=4 15694 B11R1.301 CCCCNC(=O)NC1CC1 273464a_100000212008_100000102301 [1,0,0,1,0,0|2,0,0]=4 15695 B11R1.301 CCCCNC(=O)NC1CC1 512a_100000212008_100000102301 [1,0,0,1,0,0|2,0,0]=4 15696 B11R1.301 CCCNCC(=O)NC1CC1 2230a_100000702991_100000210303 [1,0,0,1,0,0|2,0,0]=4 15697 B11R1.301 CCCNNC(=O)CC1CC1 22a_100000740057_100000738066 [1,0,0,1,0,0|2,0,0]=4 15698 B11R1.301 CCCOCC(=O)CC1CC1 1458a_100000745993_100000742324 [1,0,0,1,0,0|1,0,0]=3 15699 B11R1.301 CCCOCC(=O)CC1CO1 1458a_100000745993_100011216344 [1,0,0,1,0,0|2,0,0]=4 15700 B11R1.301 CCCOCC(=O)CC1CS1 1458a_100000745993_100000031435 [1,0,0,1,0,0|2,0,0]=4 15701 B11R1.301 CCCOCC(=O)C[C@@H]1CO1 1458a_100000745993_100000745022 [1,0,0,1,0,0|2,0,0]=4 15702 B11R1.301 CCCOCC(=O)NC1CC1 1626a_100000212008_100000745993 [1,0,0,1,0,0|2,0,0]=4 15703 B11R1.301 CCCOCC(=O)NC1CC1 240690a_100000212008_100000745993 [1,0,0,1,0,0|2,0,0]=4 15704 B11R1.301 CCCOCC(=O)NC1CC1 34a_100000210258_100000182950 [1,0,0,1,0,0|2,0,0]=4 15705 B11R1.301 CCCOCC(=O)NC1CC1 527a_100000212008_100000745993 [1,0,0,1,0,0|2,0,0]=4 15706 B11R1.301 CCCSCC(=O)CC1CC1 1458a_100000217233_100000742324 [1,0,0,1,0,0|1,0,0]=3 15707 B11R1.301 CCCSCC(=O)CC1CO1 1458a_100000217233_100011216344 [1,0,0,1,0,0|2,0,0]=4 15708 B11R1.301 CCCSCC(=O)CC1CS1 1458a_100000217233_100000031435 [1,0,0,1,0,0|2,0,0]=4 15709 B11R1.301 CCCSCC(=O)C[C@@H]1CO1 1458a_100000217233_100000745022 [1,0,0,1,0,0|2,0,0]=4 15710 B11R1.301 CCCSCC(=O)NC1CC1 1626a_100000212008_100000217233 [1,0,0,1,0,0|2,0,0]=4 15711 B11R1.301 CCCSCC(=O)NC1CC1 240690a_100000212008_100000217233 [1,0,0,1,0,0|2,0,0]=4 15712 B11R1.301 CCCSCC(=O)NC1CC1 527a_100000212008_100000217233 [1,0,0,1,0,0|2,0,0]=4 15713 B11R1.301 CCCSCC(=O)NC1CC1 62a_100000182950_100000210303 [1,0,0,1,0,0|2,0,0]=4 15714 B11R1.301 CCCSCC(=O)NC1CC1 62a_100000210303_100000182950 [1,0,0,1,0,0|2,0,0]=4 15715 B11R1.301 CCNCCC(=O)NC1CC1 2230a_100015525214_100000737409 [1,0,0,1,0,0|2,0,0]=4 15716 B11R1.301 CCOCCC(=O)CC1CC1 1458a_100000738066_100011215890 [1,0,0,1,0,0|1,0,0]=3 15717 B11R1.301 CCOCCC(=O)CC1CC1 1458a_100000749530_100000742324 [1,0,0,1,0,0|1,0,0]=3 15718 B11R1.301 CCOCCC(=O)CC1CO1 1458a_100000749530_100011216344 [1,0,0,1,0,0|2,0,0]=4 15719 B11R1.301 CCOCCC(=O)CC1CS1 1458a_100000749530_100000031435 [1,0,0,1,0,0|2,0,0]=4 15720 B11R1.301 CCOCCC(=O)C[C@@H]1CO1 1458a_100000749530_100000745022 [1,0,0,1,0,0|2,0,0]=4 15721 B11R1.301 CCOCCC(=O)NC1CC1 1626a_100000212008_100000749530 [1,0,0,1,0,0|2,0,0]=4 15722 B11R1.301 CCOCCC(=O)NC1CC1 240690a_100000212008_100000749530 [1,0,0,1,0,0|2,0,0]=4 15723 B11R1.301 CCOCCC(=O)NC1CC1 34a_100121572206_100000737409 [1,0,0,1,0,0|2,0,0]=4 15724 B11R1.301 CCOCCC(=O)NC1CC1 527a_100000212008_100000749530 [1,0,0,1,0,0|2,0,0]=4 15725 B11R1.301 CCSCCC(=O)CC1CC1 1458a_100000230768_100000742324 [1,0,0,1,0,0|1,0,0]=3 15726 B11R1.301 CCSCCC(=O)CC1CC1 1458a_100000738066_100000757381 [1,0,0,1,0,0|1,0,0]=3 15727 B11R1.301 CCSCCC(=O)CC1CO1 1458a_100000230768_100011216344 [1,0,0,1,0,0|2,0,0]=4 15728 B11R1.301 CCSCCC(=O)CC1CS1 1458a_100000230768_100000031435 [1,0,0,1,0,0|2,0,0]=4 15729 B11R1.301 CCSCCC(=O)C[C@@H]1CO1 1458a_100000230768_100000745022 [1,0,0,1,0,0|2,0,0]=4 15730 B11R1.301 CCSCCC(=O)NC1CC1 1626a_100000212008_100000230768 [1,0,0,1,0,0|2,0,0]=4 15731 B11R1.301 CCSCCC(=O)NC1CC1 240690a_100000212008_100000230768 [1,0,0,1,0,0|2,0,0]=4 15732 B11R1.301 CCSCCC(=O)NC1CC1 527a_100000212008_100000230768 [1,0,0,1,0,0|2,0,0]=4 15733 B11R1.301 CCSCCC(=O)NC1CC1 62a_100000210202_100000737409 [1,0,0,1,0,0|2,0,0]=4 15734 B11R1.301 CCSCCC(=O)NC1CC1 62a_100000737409_100000210202 [1,0,0,1,0,0|2,0,0]=4 15735 B11R1.301 COCCCC(=O)CC1CC1 1458a_100000738066_100000740836 [1,0,0,1,0,0|1,0,0]=3 15736 B11R1.301 COCCCC(=O)CC1CC1 1458a_100000741012_100000742324 [1,0,0,1,0,0|1,0,0]=3 15737 B11R1.301 COCCCC(=O)CC1CO1 1458a_100000741012_100011216344 [1,0,0,1,0,0|2,0,0]=4 15738 B11R1.301 COCCCC(=O)CC1CS1 1458a_100000741012_100000031435 [1,0,0,1,0,0|2,0,0]=4 15739 B11R1.301 COCCCC(=O)C[C@@H]1CO1 1458a_100000741012_100000745022 [1,0,0,1,0,0|2,0,0]=4 15740 B11R1.301 COCCCC(=O)NC1CC1 1626a_100000212008_100000741012 [1,0,0,1,0,0|2,0,0]=4 15741 B11R1.301 COCCCC(=O)NC1CC1 240690a_100000212008_100000741012 [1,0,0,1,0,0|2,0,0]=4 15742 B11R1.301 COCCCC(=O)NC1CC1 527a_100000212008_100000741012 [1,0,0,1,0,0|2,0,0]=4 15743 B11R1.301 COCCNC(=O)CC1CC1 1626a_100000209980_100000738066 [1,0,0,1,0,0|2,0,0]=4 15744 B11R1.301 COCCNC(=O)CC1CC1 240690a_100000209980_100000738066 [1,0,0,1,0,0|2,0,0]=4 15745 B11R1.301 COCCNC(=O)CC1CC1 527a_100000209980_100000738066 [1,0,0,1,0,0|2,0,0]=4 15746 B11R1.301 CSCCCC(=O)CC1CC1 1458a_100000173376_100000742324 [1,0,0,1,0,0|1,0,0]=3 15747 B11R1.301 CSCCCC(=O)CC1CO1 1458a_100000173376_100011216344 [1,0,0,1,0,0|2,0,0]=4 15748 B11R1.301 CSCCCC(=O)CC1CS1 1458a_100000173376_100000031435 [1,0,0,1,0,0|2,0,0]=4 15749 B11R1.301 CSCCCC(=O)C[C@@H]1CO1 1458a_100000173376_100000745022 [1,0,0,1,0,0|2,0,0]=4 15750 B11R1.301 CSCCCC(=O)NC1CC1 1626a_100000212008_100000173376 [1,0,0,1,0,0|2,0,0]=4 15751 B11R1.301 CSCCCC(=O)NC1CC1 240690a_100000212008_100000173376 [1,0,0,1,0,0|2,0,0]=4 15752 B11R1.301 CSCCCC(=O)NC1CC1 527a_100000212008_100000173376 [1,0,0,1,0,0|2,0,0]=4 15753 B11R1.301 CSCCNC(=O)CC1CC1 11a_100020590264_100000738066 [1,0,0,1,0,0|2,0,0]=4 15754 B11R1.301 CSCCNC(=O)CC1CC1 1626a_100020590264_100000738066 [1,0,0,1,0,0|2,0,0]=4 15755 B11R1.301 CSCCNC(=O)CC1CC1 240690a_100020590264_100000738066 [1,0,0,1,0,0|2,0,0]=4 15756 B11R1.301 CSCCNC(=O)CC1CC1 527a_100020590264_100000738066 [1,0,0,1,0,0|2,0,0]=4 15757 B11R1.301 N#CCCCC(=O)CC1CC1 1458a_100000075515_100000742324 [1,0,0,1,0,0|1,0,1]=4 15758 B11R1.301 N#CCCCC(=O)CC1CC1 1458a_100000738066_100000211468 [1,0,0,1,0,0|1,0,1]=4 15759 B11R1.301 O=C(CC1CC1)NCCCF 11a_100015189416_100000738066 [1,0,0,1,0,0|2,0,0]=4 15760 B11R1.301 O=C(CC1CC1)NCCCF 1626a_100015189416_100000738066 [1,0,0,1,0,0|2,0,0]=4 15761 B11R1.301 O=C(CC1CC1)NCCCF 240690a_100015189416_100000738066 [1,0,0,1,0,0|2,0,0]=4 15762 B11R1.301 O=C(CC1CC1)NCCCF 527a_100015189416_100000738066 [1,0,0,1,0,0|2,0,0]=4 15763 B11R1.301 O=C(CC1CC1)NCCCO 240690a_100000182051_100000738066 [1,0,0,1,0,0|2,0,0]=4 15764 B11R1.301 O=C(CC1CC1)NCCCO 527a_100000182051_100000738066 [1,0,0,1,0,0|2,0,0]=4 15765 B11R1.301 O=C(CCCCF)CC1CC1 1458a_100000738066_100000729493 [1,0,0,1,0,0|1,0,0]=3 15766 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000695505_100000742324 [1,0,0,1,0,0|1,0,0]=3 15767 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000738066_100000210776 [1,0,0,1,0,0|1,0,0]=3 15768 B11R1.301 O=C(CCCCO)CC1CO1 1458a_100000695505_100011216344 [1,0,0,1,0,0|2,0,0]=4 15769 B11R1.301 O=C(CCCCO)CC1CS1 1458a_100000695505_100000031435 [1,0,0,1,0,0|2,0,0]=4 15770 B11R1.301 O=C(CCCCO)C[C@@H]1CO1 1458a_100000695505_100000745022 [1,0,0,1,0,0|2,0,0]=4 15771 B11R1.301 O=C(CCCCO)NC1CC1 1626a_100000212008_100000695505 [1,0,0,1,0,0|2,0,0]=4 15772 B11R1.301 O=C(COCCO)CC1CC1 1458a_100000708028_100000742324 [1,0,0,1,0,0|2,0,0]=4 15773 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210202 [1,0,0,1,0,0|2,0,0]=4 15774 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000204670 [1,0,0,1,0,0|2,0,0]=4 15775 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210202 [1,0,0,1,0,0|2,0,0]=4 15776 B11R1.605 CCCC1C(=O)NCCN1C 2230a_200000695202_200000210301 [1,0,0,1,0,0|2,0,0]=4 15777 B11R1.605 CCCC1C(=O)NCCN1C 269982a_200000695202_200000210301 [1,0,0,1,0,0|2,0,0]=4 15778 B11R1.605 CCCC1C(=O)NCCN1C 34a_200000695202_200000210301 [1,0,0,1,0,0|2,0,0]=4 15779 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 2230a_200000695202_200025704644 [1,0,0,1,0,0|2,0,0]=4 15780 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 269982a_200000695202_200025704644 [1,0,0,1,0,0|2,0,0]=4 15781 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 34a_200000695202_200025704644 [1,0,0,1,0,0|2,0,0]=4 15782 B11R1.756 CCCCOC1(CCCC1)C 34a_100000751722_100000210210 [1,0,0,1,0,0|1,0,1]=4 15783 B11R1.756 CCCCOC1(CCCC1)C 7a_100000751722_100000210211 [1,0,0,1,0,0|1,0,1]=4 15784 B11R1.759 CCCCCN1CC(C1)CC 2230a_100015205115_100000210326 [1,0,0,1,0,0|2,0,0]=4 15785 B11R1.759 CCCCCN1CC(C1)CC 269982a_100015205115_100000210215 [1,0,0,1,0,0|2,0,0]=4 15786 B11R1.900 CCCOC1(CCCCC1)C 34a_100011215885_100000210303 [1,0,0,1,0,0|1,0,1]=4 15787 B11R1.900 CCCOC1(CCCCC1)C 7a_100011215885_100000210303 [1,0,0,1,0,0|1,0,1]=4 15788 B11R1.1034 C#CCCCC(=O)C1CC1C 1458a_100000211227_100000731252 [1,0,0,1,0,0|0,0,2]=4 15789 B11R1.1034 C=CCCCC(=O)C1CC1C 1458a_100000211227_100000757094 [1,0,0,1,0,0|0,0,2]=4 15790 B11R1.1034 CC/C=C\CC(=O)C1CC1C 1458a_100000211227_100103147603 [1,0,0,1,0,0|0,0,2]=4 15791 B11R1.1034 CC1CC1C(=O)CCCC#N 1458a_100000211227_100000211468 [1,0,0,1,0,0|1,0,1]=4 15792 B11R1.1034 CC1CC1C(=O)CCCCF 1458a_100000211227_100000729493 [1,0,0,1,0,0|1,0,0]=3 15793 B11R1.1034 CC1CC1C(=O)CCCCO 1458a_100000211227_100000210776 [1,0,0,1,0,0|1,0,0]=3 15794 B11R1.1034 CC1CC1C(=O)NCCCF 11a_100015189416_100000211227 [1,0,0,1,0,0|2,0,0]=4 15795 B11R1.1034 CC1CC1C(=O)NCCCF 1626a_100015189416_100000211227 [1,0,0,1,0,0|2,0,0]=4 15796 B11R1.1034 CC1CC1C(=O)NCCCF 527a_100015189416_100000211227 [1,0,0,1,0,0|2,0,0]=4 15797 B11R1.1034 CC1CC1C(=O)NCCCO 527a_100000182051_100000211227 [1,0,0,1,0,0|2,0,0]=4 15798 B11R1.1034 CCC#CCC(=O)C1CC1C 1458a_100000211227_100009813939 [1,0,0,1,0,0|0,0,2]=4 15799 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [1,0,0,1,0,0|0,0,0]=2 15800 B11R1.1034 CCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210326 [1,0,0,1,0,0|1,0,0]=3 15801 B11R1.1034 CCCCNC(=O)C1CC1C 11a_100000102301_100000211227 [1,0,0,1,0,0|1,0,0]=3 15802 B11R1.1034 CCCCNC(=O)C1CC1C 1626a_100000102301_100000211227 [1,0,0,1,0,0|1,0,0]=3 15803 B11R1.1034 CCCCNC(=O)C1CC1C 527a_100000102301_100000211227 [1,0,0,1,0,0|1,0,0]=3 15804 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000102301_100015396687 [1,0,0,1,0,0|2,0,0]=4 15805 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000102301_100015396687 [1,0,0,1,0,0|2,0,0]=4 15806 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000102301_100015396687 [1,0,0,1,0,0|2,0,0]=4 15807 B11R1.1034 CCCNNC(=O)C1CC1C 22a_100000740057_100000211227 [1,0,0,1,0,0|2,0,0]=4 15808 B11R1.1034 CCOCCC(=O)C1CC1C 1458a_100000211227_100011215890 [1,0,0,1,0,0|1,0,0]=3 15809 B11R1.1034 CCOCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215890 [1,0,0,1,0,0|2,0,0]=4 15810 B11R1.1034 CCSCCC(=O)C1CC1C 1458a_100000211227_100000757381 [1,0,0,1,0,0|1,0,0]=3 15811 B11R1.1034 CCSCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000757381 [1,0,0,1,0,0|2,0,0]=4 15812 B11R1.1034 COCCCC(=O)C1CC1C 1458a_100000211227_100000740836 [1,0,0,1,0,0|1,0,0]=3 15813 B11R1.1034 COCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000740836 [1,0,0,1,0,0|2,0,0]=4 15814 B11R1.1034 COCCNC(=O)C1CC1C 1626a_100000209980_100000211227 [1,0,0,1,0,0|2,0,0]=4 15815 B11R1.1034 COCCNC(=O)C1CC1C 527a_100000209980_100000211227 [1,0,0,1,0,0|2,0,0]=4 15816 B11R1.1034 CSCCNC(=O)C1CC1C 11a_100020590264_100000211227 [1,0,0,1,0,0|2,0,0]=4 15817 B11R1.1034 CSCCNC(=O)C1CC1C 1626a_100020590264_100000211227 [1,0,0,1,0,0|2,0,0]=4 15818 B11R1.1034 CSCCNC(=O)C1CC1C 527a_100020590264_100000211227 [1,0,0,1,0,0|2,0,0]=4 15819 B11R1.1034 O=C(CCCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100000729493 [1,0,0,1,0,0|2,0,0]=4 15820 B11R1.1034 O=C(CCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210776 [1,0,0,1,0,0|2,0,0]=4 15821 B13R1.6 CC1CCCC(C1)OCCCCF 34a_100000211399_100000729493 [0,1,0,1,0,0|1,0,1]=4 15822 B13R1.6 CC1CCCC(C1)OCCCCO 34a_100000211399_100011216708 [0,1,0,1,0,0|1,0,1]=4 15823 B13R1.6 CCCCCOC1CCCC(C1)C 34a_100000211399_100000718602 [0,1,0,1,0,0|1,0,1]=4 15824 B13R1.6 CCCCNN=C1CCCC(C1)C 4a_100025702795_100000183594 [0,1,0,1,0,0|2,0,0]=4 15825 B13R1.6 CCCCOCN1CCC[C@@H](C1)C 2230a_100000717927_100011995733 [0,1,0,1,0,0|2,0,0]=4 15826 B13R1.6 CCCCOCN1CCC[C@@H](C1)C 269982a_100000717927_100011995733 [0,1,0,1,0,0|2,0,0]=4 15827 B13R1.6 CCCCOCN1CCC[C@@H](C1)C 34a_100000717927_100011995733 [0,1,0,1,0,0|2,0,0]=4 15828 B13R1.6 CCOCCOC1CCCC(C1)C 34a_100000211399_100000210147 [0,1,0,1,0,0|1,0,1]=4 15829 B13R1.6 CCSCCOC1CCCC(C1)C 34a_100000211399_100000757381 [0,1,0,1,0,0|1,0,1]=4 15830 B13R1.6 COCCCOC1CCCC(C1)C 34a_100000211399_100000740836 [0,1,0,1,0,0|1,0,1]=4 15831 B13R1.24 C#CCCCC(=O)C1CCCCO1 1458a_100000748299_100000731252 [0,1,0,1,0,0|0,0,2]=4 15832 B13R1.24 C=CCCCC(=O)C1CCCCO1 1458a_100000748299_100000757094 [0,1,0,1,0,0|0,0,2]=4 15833 B13R1.24 CC/C=C\CC(=O)C1CCCCO1 1458a_100000748299_100103147603 [0,1,0,1,0,0|0,0,2]=4 15834 B13R1.24 CCC#CCC(=O)C1CCCCO1 1458a_100000748299_100009813939 [0,1,0,1,0,0|0,0,2]=4 15835 B13R1.24 CCCC#CC(=O)C1CCCCC1 1458a_200011218047_100000210327 [0,1,0,1,0,0|1,0,1]=4 15836 B13R1.24 CCCC#CC(=O)C1CCCOC1 1458a_200011218047_100000693364 [0,1,0,1,0,0|1,0,1]=4 15837 B13R1.24 CCCC#CC(=O)C1CCOCC1 1458a_200011218047_100011324220 [0,1,0,1,0,0|1,0,1]=4 15838 B13R1.24 CCCC=CC(=O)C1CCCCC1 1458a_100000212230_100000210327 [0,1,0,1,0,0|1,0,1]=4 15839 B13R1.24 CCCC=CC(=O)C1CCCOC1 1458a_100000212230_100000693364 [0,1,0,1,0,0|1,0,1]=4 15840 B13R1.24 CCCC=CC(=O)C1CCOCC1 1458a_100000212230_100011324220 [0,1,0,1,0,0|1,0,1]=4 15841 B13R1.24 CCCCCC(=O)C1=CCCCC1 1458a_100000765259_100000210326 [0,1,0,1,0,0|1,0,0]=3 15842 B13R1.24 CCCCCC(=O)C1=CCCCO1 1458a_100000764163_100000210326 [0,1,0,1,0,0|0,0,1]=3 15843 B13R1.24 CCCCCC(=O)C1=COCCC1 1458a_100000749935_100000210326 [0,1,0,1,0,0|1,0,1]=4 15844 B13R1.24 CCCCCC(=O)C1=COCCO1 1458a_100000008702_100000210326 [0,1,0,1,0,0|1,0,1]=4 15845 B13R1.24 CCCCCC(=O)C1C=CCCC1 1458a_100000212188_100000751183 [0,1,0,1,0,0|1,0,1]=4 15846 B13R1.24 CCCCCC(=O)C1CCCCC1 1458a_100000210647_100000210326 [0,1,0,1,0,0|1,0,0]=3 15847 B13R1.24 CCCCCC(=O)C1CCCCC1 1458a_100000212188_100000210327 [0,1,0,1,0,0|1,0,0]=3 15848 B13R1.24 CCCCCC(=O)C1CCCCO1 1458a_100000748299_100000210326 [0,1,0,1,0,0|0,0,0]=2 15849 B13R1.24 CCCCCC(=O)C1CCCOC1 1458a_100000212188_100000693364 [0,1,0,1,0,0|1,0,0]=3 15850 B13R1.24 CCCCCC(=O)C1CCCOC1 1458a_100000741522_100000210326 [0,1,0,1,0,0|1,0,0]=3 15851 B13R1.24 CCCCCC(=O)C1CCOCC1 1458a_100000195482_100000210326 [0,1,0,1,0,0|1,0,0]=3 15852 B13R1.24 CCCCCC(=O)C1CCOCC1 1458a_100000212188_100011324220 [0,1,0,1,0,0|1,0,0]=3 15853 B13R1.24 CCCCCC(=O)C1CCSCC1 1458a_100000755232_100000210326 [0,1,0,1,0,0|1,0,0]=3 15854 B13R1.24 CCCCCC(=O)C1COCCO1 1458a_100000045528_100000210326 [0,1,0,1,0,0|1,0,0]=3 15855 B13R1.24 CCCCCC(=O)C1SCCCS1 1458a_100000028545_100000210326 [0,1,0,1,0,0|1,1,0]=4 15856 B13R1.24 CCCCCC(=O)N1CC=CCC1 11a_100000698166_100000212188 [0,1,0,1,0,0|1,0,1]=4 15857 B13R1.24 CCCCCC(=O)N1CC=CCC1 1626a_100000698166_100000212188 [0,1,0,1,0,0|1,0,1]=4 15858 B13R1.24 CCCCCC(=O)N1CC=CCC1 240690a_100000698166_100000212188 [0,1,0,1,0,0|1,0,1]=4 15859 B13R1.24 CCCCCC(=O)N1CC=CCC1 527a_100000698166_100000212188 [0,1,0,1,0,0|1,0,1]=4 15860 B13R1.24 CCCCCC(=O)N1CCCOC1 11a_100000131196_100000212188 [0,1,0,1,0,0|1,0,0]=3 15861 B13R1.24 CCCCCC(=O)N1CCCOC1 240690a_100000131196_100000212188 [0,1,0,1,0,0|1,0,0]=3 15862 B13R1.24 CCCCCC(=O)N1CCOCC1 11a_100015191051_100000212188 [0,1,0,1,0,0|1,0,0]=3 15863 B13R1.24 CCCCCC(=O)N1CCOCC1 1626a_100015191051_100000212188 [0,1,0,1,0,0|1,0,0]=3 15864 B13R1.24 CCCCCC(=O)N1CCOCC1 240690a_100015191051_100000212188 [0,1,0,1,0,0|1,0,0]=3 15865 B13R1.24 CCCCCC(=O)N1CCOCC1 527a_100015191051_100000212188 [0,1,0,1,0,0|1,0,0]=3 15866 B13R1.24 CCCCCC(=O)N1CCSCC1 11a_100000737611_100000212188 [0,1,0,1,0,0|1,0,0]=3 15867 B13R1.24 CCCCCC(=O)N1CCSCC1 240690a_100000737611_100000212188 [0,1,0,1,0,0|1,0,0]=3 15868 B13R1.24 CCCCCC(=O)N1CCSCC1 527a_100000737611_100000212188 [0,1,0,1,0,0|1,0,0]=3 15869 B13R1.24 CCCCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210326 [0,1,0,1,0,0|1,0,1]=4 15870 B13R1.24 CCCCNC(=O)C1=CCCCC1 11a_100000102301_100000765259 [0,1,0,1,0,0|1,0,1]=4 15871 B13R1.24 CCCCNC(=O)C1=CCCCC1 1626a_100000102301_100000765259 [0,1,0,1,0,0|1,0,1]=4 15872 B13R1.24 CCCCNC(=O)C1=CCCCC1 240690a_100000102301_100000765259 [0,1,0,1,0,0|1,0,1]=4 15873 B13R1.24 CCCCNC(=O)C1=CCCCC1 527a_100000102301_100000765259 [0,1,0,1,0,0|1,0,1]=4 15874 B13R1.24 CCCCNC(=O)C1=CCCCO1 11a_100000102301_100000764163 [0,1,0,1,0,0|1,0,1]=4 15875 B13R1.24 CCCCNC(=O)C1=CCCCO1 1626a_100000102301_100000764163 [0,1,0,1,0,0|1,0,1]=4 15876 B13R1.24 CCCCNC(=O)C1=CCCCO1 240690a_100000102301_100000764163 [0,1,0,1,0,0|1,0,1]=4 15877 B13R1.24 CCCCNC(=O)C1=CCCCO1 527a_100000102301_100000764163 [0,1,0,1,0,0|1,0,1]=4 15878 B13R1.24 CCCCNC(=O)C1CCCCC1 11a_100000102301_100000210647 [0,1,0,1,0,0|1,0,0]=3 15879 B13R1.24 CCCCNC(=O)C1CCCCC1 1626a_100000102301_100000210647 [0,1,0,1,0,0|1,0,0]=3 15880 B13R1.24 CCCCNC(=O)C1CCCCC1 240690a_100000102301_100000210647 [0,1,0,1,0,0|1,0,0]=3 15881 B13R1.24 CCCCNC(=O)C1CCCCC1 527a_100000102301_100000210647 [0,1,0,1,0,0|1,0,0]=3 15882 B13R1.24 CCCCNC(=O)C1CCCCO1 11a_100000102301_100000748299 [0,1,0,1,0,0|1,0,0]=3 15883 B13R1.24 CCCCNC(=O)C1CCCCO1 1626a_100000102301_100000748299 [0,1,0,1,0,0|1,0,0]=3 15884 B13R1.24 CCCCNC(=O)C1CCCCO1 240690a_100000102301_100000748299 [0,1,0,1,0,0|1,0,0]=3 15885 B13R1.24 CCCCNC(=O)C1CCCCO1 527a_100000102301_100000748299 [0,1,0,1,0,0|1,0,0]=3 15886 B13R1.24 CCCCNC(=O)C1CCCOC1 11a_100000102301_100000741522 [0,1,0,1,0,0|1,0,0]=3 15887 B13R1.24 CCCCNC(=O)C1CCCOC1 1626a_100000102301_100000741522 [0,1,0,1,0,0|1,0,0]=3 15888 B13R1.24 CCCCNC(=O)C1CCCOC1 240690a_100000102301_100000741522 [0,1,0,1,0,0|1,0,0]=3 15889 B13R1.24 CCCCNC(=O)C1CCCOC1 527a_100000102301_100000741522 [0,1,0,1,0,0|1,0,0]=3 15890 B13R1.24 CCCCNC(=O)C1CCOCC1 11a_100000102301_100000195482 [0,1,0,1,0,0|1,0,0]=3 15891 B13R1.24 CCCCNC(=O)C1CCOCC1 1626a_100000102301_100000195482 [0,1,0,1,0,0|1,0,0]=3 15892 B13R1.24 CCCCNC(=O)C1CCOCC1 240690a_100000102301_100000195482 [0,1,0,1,0,0|1,0,0]=3 15893 B13R1.24 CCCCNC(=O)C1CCOCC1 527a_100000102301_100000195482 [0,1,0,1,0,0|1,0,0]=3 15894 B13R1.24 CCCCNC(=O)C1CCSCC1 11a_100000102301_100000755232 [0,1,0,1,0,0|1,0,0]=3 15895 B13R1.24 CCCCNC(=O)C1CCSCC1 1626a_100000102301_100000755232 [0,1,0,1,0,0|1,0,0]=3 15896 B13R1.24 CCCCNC(=O)C1CCSCC1 240690a_100000102301_100000755232 [0,1,0,1,0,0|1,0,0]=3 15897 B13R1.24 CCCCNC(=O)C1CCSCC1 527a_100000102301_100000755232 [0,1,0,1,0,0|1,0,0]=3 15898 B13R1.24 CCCCNC(=O)C1COCCO1 11a_100000102301_100000045528 [0,1,0,1,0,0|2,0,0]=4 15899 B13R1.24 CCCCNC(=O)C1COCCO1 1626a_100000102301_100000045528 [0,1,0,1,0,0|2,0,0]=4 15900 B13R1.24 CCCCNC(=O)C1COCCO1 240690a_100000102301_100000045528 [0,1,0,1,0,0|2,0,0]=4 15901 B13R1.24 CCCCNC(=O)C1COCCO1 527a_100000102301_100000045528 [0,1,0,1,0,0|2,0,0]=4 15902 B13R1.24 CCCCNC(=O)C1SCCCS1 11a_100000102301_100000028545 [0,1,0,1,0,0|2,0,0]=4 15903 B13R1.24 CCCCNC(=O)C1SCCCS1 1626a_100000102301_100000028545 [0,1,0,1,0,0|2,0,0]=4 15904 B13R1.24 CCCCNC(=O)C1SCCCS1 240690a_100000102301_100000028545 [0,1,0,1,0,0|2,0,0]=4 15905 B13R1.24 CCCCNC(=O)C1SCCCS1 527a_100000102301_100000028545 [0,1,0,1,0,0|2,0,0]=4 15906 B13R1.24 CCCCNC(=O)N1CCCOC1 2708a_100000102301_100000131196 [0,1,0,1,0,0|2,0,0]=4 15907 B13R1.24 CCCCNC(=O)N1CCCOC1 273464a_100000102301_100000131196 [0,1,0,1,0,0|2,0,0]=4 15908 B13R1.24 CCCCNC(=O)N1CCOCC1 2708a_100000102301_100015191051 [0,1,0,1,0,0|2,0,0]=4 15909 B13R1.24 CCCCNC(=O)N1CCOCC1 273464a_100000102301_100015191051 [0,1,0,1,0,0|2,0,0]=4 15910 B13R1.24 CCCCNC(=O)N1CCSCC1 2708a_100000102301_100000737611 [0,1,0,1,0,0|2,0,0]=4 15911 B13R1.24 CCCCNC(=O)N1CCSCC1 273464a_100000102301_100000737611 [0,1,0,1,0,0|2,0,0]=4 15912 B13R1.24 CCCCNC(=O)[C@H]1CC=CCC1 11a_100000102301_100009820709 [0,1,0,1,0,0|1,0,1]=4 15913 B13R1.24 CCCCNC(=O)[C@H]1CC=CCC1 1626a_100000102301_100009820709 [0,1,0,1,0,0|1,0,1]=4 15914 B13R1.24 CCCCNC(=O)[C@H]1CC=CCC1 240690a_100000102301_100009820709 [0,1,0,1,0,0|1,0,1]=4 15915 B13R1.24 CCCCNC(=O)[C@H]1CC=CCC1 527a_100000102301_100009820709 [0,1,0,1,0,0|1,0,1]=4 15916 B13R1.24 CCCCOC(C)C1CCCCC1 34a_100011216961_100000210210 [0,1,0,1,0,0|1,0,1]=4 15917 B13R1.24 CCCCOC(C)C1CCCCC1 7a_100011216961_100000210211 [0,1,0,1,0,0|1,0,1]=4 15918 B13R1.24 CCCCOC(C)C1CCCNC1 34a_100000740858_100000210210 [0,1,0,1,0,0|1,0,1]=4 15919 B13R1.24 CCCCOC(C)C1CCNCC1 34a_100011728446_100000210210 [0,1,0,1,0,0|1,0,1]=4 15920 B13R1.24 CCCCO[C@H](C)C1CCOCC1 34a_100000703848_100000210210 [0,1,0,1,0,0|1,0,1]=4 15921 B13R1.24 CCCCO[C@H](C)C1CCOCC1 7a_100000703848_100000210211 [0,1,0,1,0,0|1,0,1]=4 15922 B13R1.24 CCCNCC(=O)N1CCCCC1 2230a_100000751303_100000210303 [0,1,0,1,0,0|2,0,0]=4 15923 B13R1.24 CCCNCC(=O)N1CCOCC1 2230a_100000697423_100000210303 [0,1,0,1,0,0|2,0,0]=4 15924 B13R1.24 CCCNNC(=O)C1CCCCC1 22a_100000740057_100000210647 [0,1,0,1,0,0|2,0,0]=4 15925 B13R1.24 CCCNNC(=O)C1CCCCO1 22a_100000740057_100000748299 [0,1,0,1,0,0|2,0,0]=4 15926 B13R1.24 CCCNNC(=O)C1CCCOC1 22a_100000740057_100000741522 [0,1,0,1,0,0|2,0,0]=4 15927 B13R1.24 CCCNNC(=O)C1CCOCC1 22a_100000740057_100000195482 [0,1,0,1,0,0|2,0,0]=4 15928 B13R1.24 CCCNNC(=O)C1CCSCC1 22a_100000740057_100000755232 [0,1,0,1,0,0|2,0,0]=4 15929 B13R1.24 CCCOCC(=O)C1CCCCC1 1458a_100000745993_100000210327 [0,1,0,1,0,0|2,0,0]=4 15930 B13R1.24 CCCOCC(=O)C1CCCCC1 34a_100000210258_100000241979 [0,1,0,1,0,0|2,0,0]=4 15931 B13R1.24 CCCOCC(=O)C1CCCOC1 1458a_100000745993_100000693364 [0,1,0,1,0,0|2,0,0]=4 15932 B13R1.24 CCCOCC(=O)C1CCOCC1 1458a_100000745993_100011324220 [0,1,0,1,0,0|2,0,0]=4 15933 B13R1.24 CCCOCC(=O)C1CCOCC1 34a_100000210258_100000689883 [0,1,0,1,0,0|2,0,0]=4 15934 B13R1.24 CCCOCC(=O)N1CCCCC1 34a_100000210258_100000183409 [0,1,0,1,0,0|2,0,0]=4 15935 B13R1.24 CCCOCC(=O)N1CCCCC1 7a_100011315646_100000210303 [0,1,0,1,0,0|2,0,0]=4 15936 B13R1.24 CCCOCC(=O)N1CCCOC1 11a_100000131196_100000745993 [0,1,0,1,0,0|2,0,0]=4 15937 B13R1.24 CCCOCC(=O)N1CCCOC1 240690a_100000131196_100000745993 [0,1,0,1,0,0|2,0,0]=4 15938 B13R1.24 CCCOCC(=O)N1CCOCC1 11a_100015191051_100000745993 [0,1,0,1,0,0|2,0,0]=4 15939 B13R1.24 CCCOCC(=O)N1CCOCC1 1626a_100015191051_100000745993 [0,1,0,1,0,0|2,0,0]=4 15940 B13R1.24 CCCOCC(=O)N1CCOCC1 240690a_100015191051_100000745993 [0,1,0,1,0,0|2,0,0]=4 15941 B13R1.24 CCCOCC(=O)N1CCOCC1 34a_100000210258_100000183410 [0,1,0,1,0,0|2,0,0]=4 15942 B13R1.24 CCCOCC(=O)N1CCOCC1 527a_100015191051_100000745993 [0,1,0,1,0,0|2,0,0]=4 15943 B13R1.24 CCCOCC(=O)N1CCOCC1 7a_100000752472_100000210303 [0,1,0,1,0,0|2,0,0]=4 15944 B13R1.24 CCCOCC(=O)N1CCSCC1 11a_100000737611_100000745993 [0,1,0,1,0,0|2,0,0]=4 15945 B13R1.24 CCCOCC(=O)N1CCSCC1 240690a_100000737611_100000745993 [0,1,0,1,0,0|2,0,0]=4 15946 B13R1.24 CCCOCC(=O)N1CCSCC1 527a_100000737611_100000745993 [0,1,0,1,0,0|2,0,0]=4 15947 B13R1.24 CCCSCC(=O)C1CCCCC1 1458a_100000217233_100000210327 [0,1,0,1,0,0|2,0,0]=4 15948 B13R1.24 CCCSCC(=O)C1CCCCC1 62a_100000210303_100000241979 [0,1,0,1,0,0|2,0,0]=4 15949 B13R1.24 CCCSCC(=O)C1CCCCC1 62a_100000241979_100000210303 [0,1,0,1,0,0|2,0,0]=4 15950 B13R1.24 CCCSCC(=O)C1CCCOC1 1458a_100000217233_100000693364 [0,1,0,1,0,0|2,0,0]=4 15951 B13R1.24 CCCSCC(=O)C1CCOCC1 1458a_100000217233_100011324220 [0,1,0,1,0,0|2,0,0]=4 15952 B13R1.24 CCCSCC(=O)C1CCOCC1 62a_100000210303_100000689883 [0,1,0,1,0,0|2,0,0]=4 15953 B13R1.24 CCCSCC(=O)C1CCOCC1 62a_100000689883_100000210303 [0,1,0,1,0,0|2,0,0]=4 15954 B13R1.24 CCCSCC(=O)N1CCCCC1 62a_100000183409_100000210303 [0,1,0,1,0,0|2,0,0]=4 15955 B13R1.24 CCCSCC(=O)N1CCCCC1 62a_100000210303_100000183409 [0,1,0,1,0,0|2,0,0]=4 15956 B13R1.24 CCCSCC(=O)N1CCCOC1 11a_100000131196_100000217233 [0,1,0,1,0,0|2,0,0]=4 15957 B13R1.24 CCCSCC(=O)N1CCCOC1 240690a_100000131196_100000217233 [0,1,0,1,0,0|2,0,0]=4 15958 B13R1.24 CCCSCC(=O)N1CCOCC1 11a_100015191051_100000217233 [0,1,0,1,0,0|2,0,0]=4 15959 B13R1.24 CCCSCC(=O)N1CCOCC1 1626a_100015191051_100000217233 [0,1,0,1,0,0|2,0,0]=4 15960 B13R1.24 CCCSCC(=O)N1CCOCC1 240690a_100015191051_100000217233 [0,1,0,1,0,0|2,0,0]=4 15961 B13R1.24 CCCSCC(=O)N1CCOCC1 527a_100015191051_100000217233 [0,1,0,1,0,0|2,0,0]=4 15962 B13R1.24 CCCSCC(=O)N1CCOCC1 62a_100000183410_100000210303 [0,1,0,1,0,0|2,0,0]=4 15963 B13R1.24 CCCSCC(=O)N1CCOCC1 62a_100000210303_100000183410 [0,1,0,1,0,0|2,0,0]=4 15964 B13R1.24 CCCSCC(=O)N1CCSCC1 11a_100000737611_100000217233 [0,1,0,1,0,0|2,0,0]=4 15965 B13R1.24 CCCSCC(=O)N1CCSCC1 240690a_100000737611_100000217233 [0,1,0,1,0,0|2,0,0]=4 15966 B13R1.24 CCCSCC(=O)N1CCSCC1 527a_100000737611_100000217233 [0,1,0,1,0,0|2,0,0]=4 15967 B13R1.24 CCNCCC(=O)N1CCCCC1 2230a_100015525214_100102558178 [0,1,0,1,0,0|2,0,0]=4 15968 B13R1.24 CCNCCC(=O)N1CCOCC1 2230a_100000735667_100000210202 [0,1,0,1,0,0|2,0,0]=4 15969 B13R1.24 CCNCCC(=O)N1CCOCC1 2230a_100015525214_100000739706 [0,1,0,1,0,0|2,0,0]=4 15970 B13R1.24 CCNCOC(=O)C1CCCCC1 2230a_100015525214_100009893799 [0,1,0,1,0,0|1,0,0]=3 15971 B13R1.24 CCNCOC(=O)N1CCOCC1 2230a_100015525214_100009898760 [0,1,0,1,0,0|2,0,0]=4 15972 B13R1.24 CCOCCC(=O)C1=CCCCC1 1458a_100000765259_100011215890 [0,1,0,1,0,0|2,0,0]=4 15973 B13R1.24 CCOCCC(=O)C1=CCCCO1 1458a_100000764163_100011215890 [0,1,0,1,0,0|1,0,1]=4 15974 B13R1.24 CCOCCC(=O)C1CCCCC1 1458a_100000210647_100011215890 [0,1,0,1,0,0|2,0,0]=4 15975 B13R1.24 CCOCCC(=O)C1CCCCC1 1458a_100000749530_100000210327 [0,1,0,1,0,0|2,0,0]=4 15976 B13R1.24 CCOCCC(=O)C1CCCCO1 1458a_100000748299_100011215890 [0,1,0,1,0,0|1,0,0]=3 15977 B13R1.24 CCOCCC(=O)C1CCCOC1 1458a_100000741522_100011215890 [0,1,0,1,0,0|2,0,0]=4 15978 B13R1.24 CCOCCC(=O)C1CCCOC1 1458a_100000749530_100000693364 [0,1,0,1,0,0|2,0,0]=4 15979 B13R1.24 CCOCCC(=O)C1CCOCC1 1458a_100000195482_100011215890 [0,1,0,1,0,0|2,0,0]=4 15980 B13R1.24 CCOCCC(=O)C1CCOCC1 1458a_100000749530_100011324220 [0,1,0,1,0,0|2,0,0]=4 15981 B13R1.24 CCOCCC(=O)C1CCSCC1 1458a_100000755232_100011215890 [0,1,0,1,0,0|2,0,0]=4 15982 B13R1.24 CCOCCC(=O)C1COCCO1 1458a_100000045528_100011215890 [0,1,0,1,0,0|2,0,0]=4 15983 B13R1.24 CCOCCC(=O)N1CCCCC1 34a_100121572206_100102558178 [0,1,0,1,0,0|2,0,0]=4 15984 B13R1.24 CCOCCC(=O)N1CCCOC1 11a_100000131196_100000749530 [0,1,0,1,0,0|2,0,0]=4 15985 B13R1.24 CCOCCC(=O)N1CCCOC1 240690a_100000131196_100000749530 [0,1,0,1,0,0|2,0,0]=4 15986 B13R1.24 CCOCCC(=O)N1CCOCC1 11a_100015191051_100000749530 [0,1,0,1,0,0|2,0,0]=4 15987 B13R1.24 CCOCCC(=O)N1CCOCC1 1626a_100015191051_100000749530 [0,1,0,1,0,0|2,0,0]=4 15988 B13R1.24 CCOCCC(=O)N1CCOCC1 240690a_100015191051_100000749530 [0,1,0,1,0,0|2,0,0]=4 15989 B13R1.24 CCOCCC(=O)N1CCOCC1 527a_100015191051_100000749530 [0,1,0,1,0,0|2,0,0]=4 15990 B13R1.24 CCOCCC(=O)N1CCSCC1 11a_100000737611_100000749530 [0,1,0,1,0,0|2,0,0]=4 15991 B13R1.24 CCOCCC(=O)N1CCSCC1 240690a_100000737611_100000749530 [0,1,0,1,0,0|2,0,0]=4 15992 B13R1.24 CCOCCC(=O)N1CCSCC1 527a_100000737611_100000749530 [0,1,0,1,0,0|2,0,0]=4 15993 B13R1.24 CCOCOC(=O)C1CCCCC1 34a_100121572206_100009893799 [0,1,0,1,0,0|1,0,0]=3 15994 B13R1.24 CCSCCC(=O)C1=CCCCC1 1458a_100000765259_100000757381 [0,1,0,1,0,0|2,0,0]=4 15995 B13R1.24 CCSCCC(=O)C1=CCCCO1 1458a_100000764163_100000757381 [0,1,0,1,0,0|1,0,1]=4 15996 B13R1.24 CCSCCC(=O)C1CCCCC1 1458a_100000210647_100000757381 [0,1,0,1,0,0|2,0,0]=4 15997 B13R1.24 CCSCCC(=O)C1CCCCC1 1458a_100000230768_100000210327 [0,1,0,1,0,0|2,0,0]=4 15998 B13R1.24 CCSCCC(=O)C1CCCCO1 1458a_100000748299_100000757381 [0,1,0,1,0,0|1,0,0]=3 15999 B13R1.24 CCSCCC(=O)C1CCCOC1 1458a_100000230768_100000693364 [0,1,0,1,0,0|2,0,0]=4 16000 B13R1.24 CCSCCC(=O)C1CCCOC1 1458a_100000741522_100000757381 [0,1,0,1,0,0|2,0,0]=4 16001 B13R1.24 CCSCCC(=O)C1CCOCC1 1458a_100000195482_100000757381 [0,1,0,1,0,0|2,0,0]=4 16002 B13R1.24 CCSCCC(=O)C1CCOCC1 1458a_100000230768_100011324220 [0,1,0,1,0,0|2,0,0]=4 16003 B13R1.24 CCSCCC(=O)C1CCSCC1 1458a_100000755232_100000757381 [0,1,0,1,0,0|2,0,0]=4 16004 B13R1.24 CCSCCC(=O)C1COCCO1 1458a_100000045528_100000757381 [0,1,0,1,0,0|2,0,0]=4 16005 B13R1.24 CCSCCC(=O)N1CCCCC1 62a_100000210202_100102558178 [0,1,0,1,0,0|2,0,0]=4 16006 B13R1.24 CCSCCC(=O)N1CCCCC1 62a_100102558178_100000210202 [0,1,0,1,0,0|2,0,0]=4 16007 B13R1.24 CCSCCC(=O)N1CCCOC1 11a_100000131196_100000230768 [0,1,0,1,0,0|2,0,0]=4 16008 B13R1.24 CCSCCC(=O)N1CCCOC1 240690a_100000131196_100000230768 [0,1,0,1,0,0|2,0,0]=4 16009 B13R1.24 CCSCCC(=O)N1CCOCC1 11a_100015191051_100000230768 [0,1,0,1,0,0|2,0,0]=4 16010 B13R1.24 CCSCCC(=O)N1CCOCC1 1626a_100015191051_100000230768 [0,1,0,1,0,0|2,0,0]=4 16011 B13R1.24 CCSCCC(=O)N1CCOCC1 240690a_100015191051_100000230768 [0,1,0,1,0,0|2,0,0]=4 16012 B13R1.24 CCSCCC(=O)N1CCOCC1 527a_100015191051_100000230768 [0,1,0,1,0,0|2,0,0]=4 16013 B13R1.24 CCSCCC(=O)N1CCOCC1 62a_100000210202_100000739706 [0,1,0,1,0,0|2,0,0]=4 16014 B13R1.24 CCSCCC(=O)N1CCOCC1 62a_100000739706_100000210202 [0,1,0,1,0,0|2,0,0]=4 16015 B13R1.24 CCSCCC(=O)N1CCSCC1 11a_100000737611_100000230768 [0,1,0,1,0,0|2,0,0]=4 16016 B13R1.24 CCSCCC(=O)N1CCSCC1 240690a_100000737611_100000230768 [0,1,0,1,0,0|2,0,0]=4 16017 B13R1.24 CCSCCC(=O)N1CCSCC1 527a_100000737611_100000230768 [0,1,0,1,0,0|2,0,0]=4 16018 B13R1.24 CCSCOC(=O)C1CCCCC1 62a_100000210202_100009893799 [0,1,0,1,0,0|1,0,0]=3 16019 B13R1.24 CCSCOC(=O)C1CCCCC1 62a_100009893799_100000210202 [0,1,0,1,0,0|1,0,0]=3 16020 B13R1.24 CCSCOC(=O)N1CCOCC1 62a_100000210202_100009898760 [0,1,0,1,0,0|2,0,0]=4 16021 B13R1.24 CCSCOC(=O)N1CCOCC1 62a_100009898760_100000210202 [0,1,0,1,0,0|2,0,0]=4 16022 B13R1.24 COCCCC(=O)C1=CCCCC1 1458a_100000765259_100000740836 [0,1,0,1,0,0|2,0,0]=4 16023 B13R1.24 COCCCC(=O)C1=CCCCO1 1458a_100000764163_100000740836 [0,1,0,1,0,0|1,0,1]=4 16024 B13R1.24 COCCCC(=O)C1CCCCC1 1458a_100000210647_100000740836 [0,1,0,1,0,0|2,0,0]=4 16025 B13R1.24 COCCCC(=O)C1CCCCC1 1458a_100000741012_100000210327 [0,1,0,1,0,0|2,0,0]=4 16026 B13R1.24 COCCCC(=O)C1CCCCO1 1458a_100000748299_100000740836 [0,1,0,1,0,0|1,0,0]=3 16027 B13R1.24 COCCCC(=O)C1CCCOC1 1458a_100000741012_100000693364 [0,1,0,1,0,0|2,0,0]=4 16028 B13R1.24 COCCCC(=O)C1CCCOC1 1458a_100000741522_100000740836 [0,1,0,1,0,0|2,0,0]=4 16029 B13R1.24 COCCCC(=O)C1CCOCC1 1458a_100000195482_100000740836 [0,1,0,1,0,0|2,0,0]=4 16030 B13R1.24 COCCCC(=O)C1CCOCC1 1458a_100000741012_100011324220 [0,1,0,1,0,0|2,0,0]=4 16031 B13R1.24 COCCCC(=O)C1CCSCC1 1458a_100000755232_100000740836 [0,1,0,1,0,0|2,0,0]=4 16032 B13R1.24 COCCCC(=O)C1COCCO1 1458a_100000045528_100000740836 [0,1,0,1,0,0|2,0,0]=4 16033 B13R1.24 COCCCC(=O)N1CCCOC1 11a_100000131196_100000741012 [0,1,0,1,0,0|2,0,0]=4 16034 B13R1.24 COCCCC(=O)N1CCCOC1 240690a_100000131196_100000741012 [0,1,0,1,0,0|2,0,0]=4 16035 B13R1.24 COCCCC(=O)N1CCOCC1 11a_100015191051_100000741012 [0,1,0,1,0,0|2,0,0]=4 16036 B13R1.24 COCCCC(=O)N1CCOCC1 1626a_100015191051_100000741012 [0,1,0,1,0,0|2,0,0]=4 16037 B13R1.24 COCCCC(=O)N1CCOCC1 240690a_100015191051_100000741012 [0,1,0,1,0,0|2,0,0]=4 16038 B13R1.24 COCCCC(=O)N1CCOCC1 527a_100015191051_100000741012 [0,1,0,1,0,0|2,0,0]=4 16039 B13R1.24 COCCCC(=O)N1CCSCC1 11a_100000737611_100000741012 [0,1,0,1,0,0|2,0,0]=4 16040 B13R1.24 COCCCC(=O)N1CCSCC1 240690a_100000737611_100000741012 [0,1,0,1,0,0|2,0,0]=4 16041 B13R1.24 COCCCC(=O)N1CCSCC1 527a_100000737611_100000741012 [0,1,0,1,0,0|2,0,0]=4 16042 B13R1.24 COCCNC(=O)C1CCCCC1 1626a_100000209980_100000210647 [0,1,0,1,0,0|2,0,0]=4 16043 B13R1.24 COCCNC(=O)C1CCCCC1 240690a_100000209980_100000210647 [0,1,0,1,0,0|2,0,0]=4 16044 B13R1.24 COCCNC(=O)C1CCCCC1 527a_100000209980_100000210647 [0,1,0,1,0,0|2,0,0]=4 16045 B13R1.24 COCCNC(=O)C1CCCCO1 1626a_100000209980_100000748299 [0,1,0,1,0,0|2,0,0]=4 16046 B13R1.24 COCCNC(=O)C1CCCCO1 240690a_100000209980_100000748299 [0,1,0,1,0,0|2,0,0]=4 16047 B13R1.24 COCCNC(=O)C1CCCCO1 527a_100000209980_100000748299 [0,1,0,1,0,0|2,0,0]=4 16048 B13R1.24 COCCNC(=O)C1CCCNC1 34a_200011275841_200000210301 [0,1,0,1,0,0|2,0,0]=4 16049 B13R1.24 COCCNC(=O)C1CCCOC1 1626a_100000209980_100000741522 [0,1,0,1,0,0|2,0,0]=4 16050 B13R1.24 COCCNC(=O)C1CCCOC1 240690a_100000209980_100000741522 [0,1,0,1,0,0|2,0,0]=4 16051 B13R1.24 COCCNC(=O)C1CCCOC1 527a_100000209980_100000741522 [0,1,0,1,0,0|2,0,0]=4 16052 B13R1.24 COCCNC(=O)C1CCNCC1 34a_100025771131_200000210301 [0,1,0,1,0,0|2,0,0]=4 16053 B13R1.24 COCCNC(=O)C1CCOCC1 1626a_100000209980_100000195482 [0,1,0,1,0,0|2,0,0]=4 16054 B13R1.24 COCCNC(=O)C1CCOCC1 240690a_100000209980_100000195482 [0,1,0,1,0,0|2,0,0]=4 16055 B13R1.24 COCCNC(=O)C1CCOCC1 527a_100000209980_100000195482 [0,1,0,1,0,0|2,0,0]=4 16056 B13R1.24 COCCNC(=O)C1CCSCC1 1626a_100000209980_100000755232 [0,1,0,1,0,0|2,0,0]=4 16057 B13R1.24 COCCNC(=O)C1CCSCC1 240690a_100000209980_100000755232 [0,1,0,1,0,0|2,0,0]=4 16058 B13R1.24 COCCNC(=O)C1CCSCC1 527a_100000209980_100000755232 [0,1,0,1,0,0|2,0,0]=4 16059 B13R1.24 CSCCCC(=O)C1CCCCC1 1458a_100000173376_100000210327 [0,1,0,1,0,0|2,0,0]=4 16060 B13R1.24 CSCCCC(=O)C1CCCOC1 1458a_100000173376_100000693364 [0,1,0,1,0,0|2,0,0]=4 16061 B13R1.24 CSCCCC(=O)C1CCOCC1 1458a_100000173376_100011324220 [0,1,0,1,0,0|2,0,0]=4 16062 B13R1.24 CSCCCC(=O)N1CCCOC1 11a_100000131196_100000173376 [0,1,0,1,0,0|2,0,0]=4 16063 B13R1.24 CSCCCC(=O)N1CCCOC1 240690a_100000131196_100000173376 [0,1,0,1,0,0|2,0,0]=4 16064 B13R1.24 CSCCCC(=O)N1CCOCC1 11a_100015191051_100000173376 [0,1,0,1,0,0|2,0,0]=4 16065 B13R1.24 CSCCCC(=O)N1CCOCC1 1626a_100015191051_100000173376 [0,1,0,1,0,0|2,0,0]=4 16066 B13R1.24 CSCCCC(=O)N1CCOCC1 240690a_100015191051_100000173376 [0,1,0,1,0,0|2,0,0]=4 16067 B13R1.24 CSCCCC(=O)N1CCOCC1 527a_100015191051_100000173376 [0,1,0,1,0,0|2,0,0]=4 16068 B13R1.24 CSCCCC(=O)N1CCSCC1 11a_100000737611_100000173376 [0,1,0,1,0,0|2,0,0]=4 16069 B13R1.24 CSCCCC(=O)N1CCSCC1 240690a_100000737611_100000173376 [0,1,0,1,0,0|2,0,0]=4 16070 B13R1.24 CSCCCC(=O)N1CCSCC1 527a_100000737611_100000173376 [0,1,0,1,0,0|2,0,0]=4 16071 B13R1.24 CSCCNC(=O)C1CCCCC1 11a_100020590264_100000210647 [0,1,0,1,0,0|2,0,0]=4 16072 B13R1.24 CSCCNC(=O)C1CCCCC1 1626a_100020590264_100000210647 [0,1,0,1,0,0|2,0,0]=4 16073 B13R1.24 CSCCNC(=O)C1CCCCC1 240690a_100020590264_100000210647 [0,1,0,1,0,0|2,0,0]=4 16074 B13R1.24 CSCCNC(=O)C1CCCCC1 527a_100020590264_100000210647 [0,1,0,1,0,0|2,0,0]=4 16075 B13R1.24 CSCCNC(=O)C1CCCCO1 11a_100020590264_100000748299 [0,1,0,1,0,0|2,0,0]=4 16076 B13R1.24 CSCCNC(=O)C1CCCCO1 1626a_100020590264_100000748299 [0,1,0,1,0,0|2,0,0]=4 16077 B13R1.24 CSCCNC(=O)C1CCCCO1 240690a_100020590264_100000748299 [0,1,0,1,0,0|2,0,0]=4 16078 B13R1.24 CSCCNC(=O)C1CCCCO1 527a_100020590264_100000748299 [0,1,0,1,0,0|2,0,0]=4 16079 B13R1.24 CSCCNC(=O)C1CCCOC1 11a_100020590264_100000741522 [0,1,0,1,0,0|2,0,0]=4 16080 B13R1.24 CSCCNC(=O)C1CCCOC1 1626a_100020590264_100000741522 [0,1,0,1,0,0|2,0,0]=4 16081 B13R1.24 CSCCNC(=O)C1CCCOC1 240690a_100020590264_100000741522 [0,1,0,1,0,0|2,0,0]=4 16082 B13R1.24 CSCCNC(=O)C1CCCOC1 527a_100020590264_100000741522 [0,1,0,1,0,0|2,0,0]=4 16083 B13R1.24 CSCCNC(=O)C1CCOCC1 11a_100020590264_100000195482 [0,1,0,1,0,0|2,0,0]=4 16084 B13R1.24 CSCCNC(=O)C1CCOCC1 1626a_100020590264_100000195482 [0,1,0,1,0,0|2,0,0]=4 16085 B13R1.24 CSCCNC(=O)C1CCOCC1 240690a_100020590264_100000195482 [0,1,0,1,0,0|2,0,0]=4 16086 B13R1.24 CSCCNC(=O)C1CCOCC1 527a_100020590264_100000195482 [0,1,0,1,0,0|2,0,0]=4 16087 B13R1.24 CSCCNC(=O)C1CCSCC1 11a_100020590264_100000755232 [0,1,0,1,0,0|2,0,0]=4 16088 B13R1.24 CSCCNC(=O)C1CCSCC1 1626a_100020590264_100000755232 [0,1,0,1,0,0|2,0,0]=4 16089 B13R1.24 CSCCNC(=O)C1CCSCC1 240690a_100020590264_100000755232 [0,1,0,1,0,0|2,0,0]=4 16090 B13R1.24 CSCCNC(=O)C1CCSCC1 527a_100020590264_100000755232 [0,1,0,1,0,0|2,0,0]=4 16091 B13R1.24 N#CCCCC(=O)C1CCCCO1 1458a_100000748299_100000211468 [0,1,0,1,0,0|1,0,1]=4 16092 B13R1.24 O=C(CCCCF)C1=CCCCC1 1458a_100000765259_100000729493 [0,1,0,1,0,0|2,0,0]=4 16093 B13R1.24 O=C(CCCCF)C1=CCCCO1 1458a_100000764163_100000729493 [0,1,0,1,0,0|1,0,1]=4 16094 B13R1.24 O=C(CCCCF)C1CCCCC1 1458a_100000210647_100000729493 [0,1,0,1,0,0|2,0,0]=4 16095 B13R1.24 O=C(CCCCF)C1CCCCO1 1458a_100000748299_100000729493 [0,1,0,1,0,0|1,0,0]=3 16096 B13R1.24 O=C(CCCCF)C1CCCOC1 1458a_100000741522_100000729493 [0,1,0,1,0,0|2,0,0]=4 16097 B13R1.24 O=C(CCCCF)C1CCOCC1 1458a_100000195482_100000729493 [0,1,0,1,0,0|2,0,0]=4 16098 B13R1.24 O=C(CCCCF)C1CCSCC1 1458a_100000755232_100000729493 [0,1,0,1,0,0|2,0,0]=4 16099 B13R1.24 O=C(CCCCF)C1COCCO1 1458a_100000045528_100000729493 [0,1,0,1,0,0|2,0,0]=4 16100 B13R1.24 O=C(CCCCO)C1=CCCCC1 1458a_100000765259_100000210776 [0,1,0,1,0,0|2,0,0]=4 16101 B13R1.24 O=C(CCCCO)C1=CCCCO1 1458a_100000764163_100000210776 [0,1,0,1,0,0|1,0,1]=4 16102 B13R1.24 O=C(CCCCO)C1CCCCC1 1458a_100000210647_100000210776 [0,1,0,1,0,0|2,0,0]=4 16103 B13R1.24 O=C(CCCCO)C1CCCCC1 1458a_100000695505_100000210327 [0,1,0,1,0,0|2,0,0]=4 16104 B13R1.24 O=C(CCCCO)C1CCCCO1 1458a_100000748299_100000210776 [0,1,0,1,0,0|1,0,0]=3 16105 B13R1.24 O=C(CCCCO)C1CCCOC1 1458a_100000695505_100000693364 [0,1,0,1,0,0|2,0,0]=4 16106 B13R1.24 O=C(CCCCO)C1CCCOC1 1458a_100000741522_100000210776 [0,1,0,1,0,0|2,0,0]=4 16107 B13R1.24 O=C(CCCCO)C1CCOCC1 1458a_100000195482_100000210776 [0,1,0,1,0,0|2,0,0]=4 16108 B13R1.24 O=C(CCCCO)C1CCOCC1 1458a_100000695505_100011324220 [0,1,0,1,0,0|2,0,0]=4 16109 B13R1.24 O=C(CCCCO)C1CCSCC1 1458a_100000755232_100000210776 [0,1,0,1,0,0|2,0,0]=4 16110 B13R1.24 O=C(CCCCO)C1COCCO1 1458a_100000045528_100000210776 [0,1,0,1,0,0|2,0,0]=4 16111 B13R1.24 O=C(CCCCO)N1CCOCC1 1626a_100015191051_100000695505 [0,1,0,1,0,0|2,0,0]=4 16112 B13R1.24 O=C(NCCCF)C1CCCCC1 11a_100015189416_100000210647 [0,1,0,1,0,0|2,0,0]=4 16113 B13R1.24 O=C(NCCCF)C1CCCCC1 1626a_100015189416_100000210647 [0,1,0,1,0,0|2,0,0]=4 16114 B13R1.24 O=C(NCCCF)C1CCCCC1 240690a_100015189416_100000210647 [0,1,0,1,0,0|2,0,0]=4 16115 B13R1.24 O=C(NCCCF)C1CCCCC1 527a_100015189416_100000210647 [0,1,0,1,0,0|2,0,0]=4 16116 B13R1.24 O=C(NCCCF)C1CCCCO1 11a_100015189416_100000748299 [0,1,0,1,0,0|2,0,0]=4 16117 B13R1.24 O=C(NCCCF)C1CCCCO1 1626a_100015189416_100000748299 [0,1,0,1,0,0|2,0,0]=4 16118 B13R1.24 O=C(NCCCF)C1CCCCO1 240690a_100015189416_100000748299 [0,1,0,1,0,0|2,0,0]=4 16119 B13R1.24 O=C(NCCCF)C1CCCCO1 527a_100015189416_100000748299 [0,1,0,1,0,0|2,0,0]=4 16120 B13R1.24 O=C(NCCCF)C1CCCOC1 11a_100015189416_100000741522 [0,1,0,1,0,0|2,0,0]=4 16121 B13R1.24 O=C(NCCCF)C1CCCOC1 1626a_100015189416_100000741522 [0,1,0,1,0,0|2,0,0]=4 16122 B13R1.24 O=C(NCCCF)C1CCCOC1 240690a_100015189416_100000741522 [0,1,0,1,0,0|2,0,0]=4 16123 B13R1.24 O=C(NCCCF)C1CCCOC1 527a_100015189416_100000741522 [0,1,0,1,0,0|2,0,0]=4 16124 B13R1.24 O=C(NCCCF)C1CCOCC1 11a_100015189416_100000195482 [0,1,0,1,0,0|2,0,0]=4 16125 B13R1.24 O=C(NCCCF)C1CCOCC1 1626a_100015189416_100000195482 [0,1,0,1,0,0|2,0,0]=4 16126 B13R1.24 O=C(NCCCF)C1CCOCC1 240690a_100015189416_100000195482 [0,1,0,1,0,0|2,0,0]=4 16127 B13R1.24 O=C(NCCCF)C1CCOCC1 527a_100015189416_100000195482 [0,1,0,1,0,0|2,0,0]=4 16128 B13R1.24 O=C(NCCCF)C1CCSCC1 11a_100015189416_100000755232 [0,1,0,1,0,0|2,0,0]=4 16129 B13R1.24 O=C(NCCCF)C1CCSCC1 1626a_100015189416_100000755232 [0,1,0,1,0,0|2,0,0]=4 16130 B13R1.24 O=C(NCCCF)C1CCSCC1 240690a_100015189416_100000755232 [0,1,0,1,0,0|2,0,0]=4 16131 B13R1.24 O=C(NCCCF)C1CCSCC1 527a_100015189416_100000755232 [0,1,0,1,0,0|2,0,0]=4 16132 B13R1.24 O=C(NCCCO)C1CCCCC1 240690a_100000182051_100000210647 [0,1,0,1,0,0|2,0,0]=4 16133 B13R1.24 O=C(NCCCO)C1CCCCC1 527a_100000182051_100000210647 [0,1,0,1,0,0|2,0,0]=4 16134 B13R1.24 O=C(NCCCO)C1CCCCO1 240690a_100000182051_100000748299 [0,1,0,1,0,0|2,0,0]=4 16135 B13R1.24 O=C(NCCCO)C1CCCCO1 527a_100000182051_100000748299 [0,1,0,1,0,0|2,0,0]=4 16136 B13R1.24 O=C(NCCCO)C1CCCOC1 240690a_100000182051_100000741522 [0,1,0,1,0,0|2,0,0]=4 16137 B13R1.24 O=C(NCCCO)C1CCCOC1 527a_100000182051_100000741522 [0,1,0,1,0,0|2,0,0]=4 16138 B13R1.24 O=C(NCCCO)C1CCOCC1 240690a_100000182051_100000195482 [0,1,0,1,0,0|2,0,0]=4 16139 B13R1.24 O=C(NCCCO)C1CCOCC1 527a_100000182051_100000195482 [0,1,0,1,0,0|2,0,0]=4 16140 B13R1.24 O=C(NCCCO)C1CCSCC1 240690a_100000182051_100000755232 [0,1,0,1,0,0|2,0,0]=4 16141 B13R1.24 O=C(NCCCO)C1CCSCC1 527a_100000182051_100000755232 [0,1,0,1,0,0|2,0,0]=4 16142 B13R1.24 O=C(OCSCF)C1CCCCC1 62a_100009893799_100015361967 [0,1,0,1,0,0|2,0,0]=4 16143 B13R1.24 O=C(OCSCF)C1CCCCC1 62a_100015361967_100009893799 [0,1,0,1,0,0|2,0,0]=4 16144 B13R1.24 [13CH3]OCCNC(=O)C1CCCNC1 34a_200011275841_200025704644 [0,1,0,1,0,0|2,0,0]=4 16145 B13R1.24 [13CH3]OCCNC(=O)C1CCNCC1 34a_100025771131_200025704644 [0,1,0,1,0,0|2,0,0]=4 16146 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [0,1,0,1,0,0|1,0,0]=3 16147 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000102301_100000735217 [0,1,0,1,0,0|1,0,0]=3 16148 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000698827_100000210211 [0,1,0,1,0,0|1,0,0]=3 16149 B13R1.34 CCCCNC1CCCCNC1=O 34a_100000698827_100000210210 [0,1,0,1,0,0|1,0,0]=3 16150 B13R1.34 CCCCNC1CCCCNC1=O 7a_106832991798_100000735217 [0,1,0,1,0,0|1,0,0]=3 16151 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [0,1,0,1,0,0|0,0,0]=2 16152 B13R1.34 CCCCOC1CCCCNC1=O 7a_100000210227_100000735217 [0,1,0,1,0,0|1,0,0]=3 16153 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [0,1,0,1,0,0|0,1,0]=3 16154 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [0,1,0,1,0,0|0,1,0]=3 16155 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000210211_100000735217 [0,1,0,1,0,0|1,0,0]=3 16156 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000735217_100000210210 [0,1,0,1,0,0|1,0,0]=3 16157 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000243696_100000739092 [0,1,0,1,0,0|1,1,0]=4 16158 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000739092_100000243696 [0,1,0,1,0,0|1,1,0]=4 16159 B13R1.34 CCOCSC1CCCCNC1=O 62a_100000735217_100000739092 [0,1,0,1,0,0|2,0,0]=4 16160 B13R1.34 CCOCSC1CCCCNC1=O 62a_100000739092_100000735217 [0,1,0,1,0,0|2,0,0]=4 16161 B13R1.34 CNCCCN1CCCCCC1=O 2230a_100000195386_200000210301 [0,1,0,1,0,0|1,0,0]=3 16162 B13R1.34 CNCCCN1CCCCCC1=O 34a_100000195386_200000210301 [0,1,0,1,0,0|1,0,0]=3 16163 B13R1.34 COCCNC1CCCCNC1=O 2230a_100000209980_100000735217 [0,1,0,1,0,0|2,0,0]=4 16164 B13R1.34 COCCNC1CCCCNC1=O 2230a_100000698827_100011201679 [0,1,0,1,0,0|2,0,0]=4 16165 B13R1.34 COCCNC1CCCCNC1=O 34a_100000698827_100011201679 [0,1,0,1,0,0|2,0,0]=4 16166 B13R1.34 COCCSC1CCCCCC1=O 62a_100000233755_100000243696 [0,1,0,1,0,0|1,1,0]=4 16167 B13R1.34 COCCSC1CCCCCC1=O 62a_100000243696_100000233755 [0,1,0,1,0,0|1,1,0]=4 16168 B13R1.34 COCCSC1CCCCNC1=O 62a_100000233755_100000735217 [0,1,0,1,0,0|2,0,0]=4 16169 B13R1.34 COCCSC1CCCCNC1=O 62a_100000735217_100000233755 [0,1,0,1,0,0|2,0,0]=4 16170 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100000698827_100000751147 [0,1,0,1,0,0|2,0,0]=4 16171 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100020590264_100000735217 [0,1,0,1,0,0|2,0,0]=4 16172 B13R1.34 CSCCNC1CCCCNC1=O 34a_100000698827_100000212216 [0,1,0,1,0,0|2,0,0]=4 16173 B13R1.34 CSCCOC1CCCCCC1=O 7a_100000230434_100000243696 [0,1,0,1,0,0|1,0,0]=3 16174 B13R1.34 CSCCOC1CCCCNC1=O 7a_100000230434_100000735217 [0,1,0,1,0,0|2,0,0]=4 16175 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000212216_100000243696 [0,1,0,1,0,0|1,1,0]=4 16176 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000243696_100000751147 [0,1,0,1,0,0|1,1,0]=4 16177 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000212216_100000735217 [0,1,0,1,0,0|2,0,0]=4 16178 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000735217_100000751147 [0,1,0,1,0,0|2,0,0]=4 16179 B13R1.34 O=C1CCCCCC1SCCCF 62a_100000243696_100011934791 [0,1,0,1,0,0|1,1,0]=4 16180 B13R1.34 O=C1CCCCCC1SCCCF 62a_100011934791_100000243696 [0,1,0,1,0,0|1,1,0]=4 16181 B13R1.34 O=C1CCCCCC1SCCCO 62a_100000243696_100011215043 [0,1,0,1,0,0|1,1,0]=4 16182 B13R1.34 O=C1CCCCCC1SCCCO 62a_100011215043_100000243696 [0,1,0,1,0,0|1,1,0]=4 16183 B13R1.34 O=C1NCCCCC1NCCCF 2230a_100000698827_100011934791 [0,1,0,1,0,0|2,0,0]=4 16184 B13R1.34 O=C1NCCCCC1NCCCF 2230a_100015189416_100000735217 [0,1,0,1,0,0|2,0,0]=4 16185 B13R1.34 O=C1NCCCCC1NCCCF 34a_100000698827_100011934791 [0,1,0,1,0,0|2,0,0]=4 16186 B13R1.34 O=C1NCCCCC1NCCCO 2230a_100000698827_100000230001 [0,1,0,1,0,0|2,0,0]=4 16187 B13R1.34 O=C1NCCCCC1NCCCO 34a_100000698827_100000230001 [0,1,0,1,0,0|2,0,0]=4 16188 B13R1.34 O=C1NCCCCC1SCCCF 62a_100000735217_100011934791 [0,1,0,1,0,0|2,0,0]=4 16189 B13R1.34 O=C1NCCCCC1SCCCF 62a_100011934791_100000735217 [0,1,0,1,0,0|2,0,0]=4 16190 B13R1.34 O=C1NCCCCC1SCCCO 62a_100000735217_100011215043 [0,1,0,1,0,0|2,0,0]=4 16191 B13R1.34 O=C1NCCCCC1SCCCO 62a_100011215043_100000735217 [0,1,0,1,0,0|2,0,0]=4 16192 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 2230a_100000195386_200025704644 [0,1,0,1,0,0|1,0,0]=3 16193 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 34a_100000195386_200025704644 [0,1,0,1,0,0|1,0,0]=3 16194 B13R1.48 C#CCCCCC(=O)C1CCCC1 1458a_100000210718_100010269958 [0,1,0,1,0,0|1,0,1]=4 16195 B13R1.48 C#CCCCCC(=O)C1CCCC1 1458a_100000696528_100000179811 [0,1,0,1,0,0|1,0,1]=4 16196 B13R1.48 C#CCCCCC(=O)N1CCCC1 240690a_100000188435_100000696528 [0,1,0,1,0,0|1,0,1]=4 16197 B13R1.48 C#CCCCCC(=O)N1CCCC1 527a_100000188435_100000696528 [0,1,0,1,0,0|1,0,1]=4 16198 B13R1.48 C#CCCCNC(=O)C1CCCC1 11a_100000718082_100000210718 [0,1,0,1,0,0|1,0,1]=4 16199 B13R1.48 C#CCCCNC(=O)C1CCCC1 1626a_100000718082_100000210718 [0,1,0,1,0,0|1,0,1]=4 16200 B13R1.48 C#CCCCNC(=O)C1CCCC1 240690a_100000718082_100000210718 [0,1,0,1,0,0|1,0,1]=4 16201 B13R1.48 C#CCCCNC(=O)C1CCCC1 527a_100000718082_100000210718 [0,1,0,1,0,0|1,0,1]=4 16202 B13R1.48 C=CCCCCC(=O)C1CCCC1 1458a_100000210718_100011215482 [0,1,0,1,0,0|1,0,1]=4 16203 B13R1.48 C=CCCCCC(=O)C1CCCC1 1458a_100011215552_100000179811 [0,1,0,1,0,0|1,0,1]=4 16204 B13R1.48 C=CCCCCC(=O)N1CCCC1 240690a_100000188435_100011215552 [0,1,0,1,0,0|1,0,1]=4 16205 B13R1.48 C=CCCCCC(=O)N1CCCC1 527a_100000188435_100011215552 [0,1,0,1,0,0|1,0,1]=4 16206 B13R1.48 C=CCCCNC(=O)C1CCCC1 11a_100000700776_100000210718 [0,1,0,1,0,0|1,0,1]=4 16207 B13R1.48 C=CCCCNC(=O)C1CCCC1 1626a_100000700776_100000210718 [0,1,0,1,0,0|1,0,1]=4 16208 B13R1.48 C=CCCCNC(=O)C1CCCC1 240690a_100000700776_100000210718 [0,1,0,1,0,0|1,0,1]=4 16209 B13R1.48 C=CCCCNC(=O)C1CCCC1 527a_100000700776_100000210718 [0,1,0,1,0,0|1,0,1]=4 16210 B13R1.48 CC(OCCCCF)C1CCCC1 34a_100011216366_100000729493 [0,1,0,1,0,0|1,0,1]=4 16211 B13R1.48 CC(OCCCCF)C1CCCC1 7a_100011216366_100000729493 [0,1,0,1,0,0|1,0,1]=4 16212 B13R1.48 CC(OCCCCO)C1CCCC1 34a_100011216366_100011216708 [0,1,0,1,0,0|1,0,1]=4 16213 B13R1.48 CC(OCCCCO)C1CCCC1 7a_100011216366_100000210776 [0,1,0,1,0,0|1,0,1]=4 16214 B13R1.48 CC/C=C\CCC(=O)C1CCCC1 1458a_100000210718_100015370543 [0,1,0,1,0,0|1,0,1]=4 16215 B13R1.48 CCC/C=C/CC(=O)C1CCCC1 1458a_200016266809_100000179811 [0,1,0,1,0,0|1,0,1]=4 16216 B13R1.48 CCC/C=C/CC(=O)N1CCCC1 240690a_100000188435_200016266809 [0,1,0,1,0,0|1,0,1]=4 16217 B13R1.48 CCC/C=C/CC(=O)N1CCCC1 527a_100000188435_200016266809 [0,1,0,1,0,0|1,0,1]=4 16218 B13R1.48 CCCC=NNC(=O)C1CCCC1 4a_100000189808_100000185831 [0,1,0,1,0,0|1,0,1]=4 16219 B13R1.48 CCCCC=CC(=O)C1CCCC1 1458a_100016266645_100000179811 [0,1,0,1,0,0|1,0,0]=3 16220 B13R1.48 CCCCC=CC(=O)C1CCOC1 1458a_100016266645_100000690089 [0,1,0,1,0,0|2,0,0]=4 16221 B13R1.48 CCCCC=CC(=O)N1CCCC1 240690a_100000188435_100016266645 [0,1,0,1,0,0|1,0,1]=4 16222 B13R1.48 CCCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210757 [0,1,0,1,0,0|1,0,1]=4 16223 B13R1.48 CCCCCCC(=O)C1CCCC1 1458a_100000210718_100000210757 [0,1,0,1,0,0|1,0,0]=3 16224 B13R1.48 CCCCCCC(=O)C1CCCC1 1458a_100102632555_100000179811 [0,1,0,1,0,0|1,0,0]=3 16225 B13R1.48 CCCCCCC(=O)C1CCCS1 1458a_100012002731_100000210757 [0,1,0,1,0,0|2,0,0]=4 16226 B13R1.48 CCCCCCC(=O)C1CCOC1 1458a_100011219752_100000210757 [0,1,0,1,0,0|2,0,0]=4 16227 B13R1.48 CCCCCCC(=O)C1CCOC1 1458a_100102632555_100000690089 [0,1,0,1,0,0|2,0,0]=4 16228 B13R1.48 CCCCCCC(=O)N1CCCC1 240690a_100000188435_100102632555 [0,1,0,1,0,0|1,0,0]=3 16229 B13R1.48 CCCCCCC(=O)N1CCCC1 527a_100000188435_100102632555 [0,1,0,1,0,0|1,0,0]=3 16230 B13R1.48 CCCCCCC(=O)N1CCSC1 11a_100011215254_100102632555 [0,1,0,1,0,0|2,0,0]=4 16231 B13R1.48 CCCCCCC(=O)N1CCSC1 240690a_100011215254_100102632555 [0,1,0,1,0,0|2,0,0]=4 16232 B13R1.48 CCCCCCC(=O)N1CCSC1 527a_100011215254_100102632555 [0,1,0,1,0,0|2,0,0]=4 16233 B13R1.48 CCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210757 [0,1,0,1,0,0|2,0,0]=4 16234 B13R1.48 CCCCCNC(=O)C1=CCCC1 11a_100000209983_100000038896 [0,1,0,1,0,0|1,0,1]=4 16235 B13R1.48 CCCCCNC(=O)C1=CCCC1 1626a_100000209983_100000038896 [0,1,0,1,0,0|1,0,1]=4 16236 B13R1.48 CCCCCNC(=O)C1=CCCC1 240690a_100000209983_100000038896 [0,1,0,1,0,0|1,0,1]=4 16237 B13R1.48 CCCCCNC(=O)C1CCCC1 11a_100000209983_100000210718 [0,1,0,1,0,0|1,0,0]=3 16238 B13R1.48 CCCCCNC(=O)C1CCCC1 1626a_100000209983_100000210718 [0,1,0,1,0,0|1,0,0]=3 16239 B13R1.48 CCCCCNC(=O)C1CCCC1 240690a_100000209983_100000210718 [0,1,0,1,0,0|1,0,0]=3 16240 B13R1.48 CCCCCNC(=O)C1CCCC1 527a_100000209983_100000210718 [0,1,0,1,0,0|1,0,0]=3 16241 B13R1.48 CCCCCNC(=O)C1CCCS1 11a_100000209983_100012002731 [0,1,0,1,0,0|2,0,0]=4 16242 B13R1.48 CCCCCNC(=O)C1CCCS1 1626a_100000209983_100012002731 [0,1,0,1,0,0|2,0,0]=4 16243 B13R1.48 CCCCCNC(=O)C1CCCS1 240690a_100000209983_100012002731 [0,1,0,1,0,0|2,0,0]=4 16244 B13R1.48 CCCCCNC(=O)C1CCCS1 527a_100000209983_100012002731 [0,1,0,1,0,0|2,0,0]=4 16245 B13R1.48 CCCCCNC(=O)C1CCOC1 11a_100000209983_100011219752 [0,1,0,1,0,0|2,0,0]=4 16246 B13R1.48 CCCCCNC(=O)C1CCOC1 1626a_100000209983_100011219752 [0,1,0,1,0,0|2,0,0]=4 16247 B13R1.48 CCCCCNC(=O)C1CCOC1 240690a_100000209983_100011219752 [0,1,0,1,0,0|2,0,0]=4 16248 B13R1.48 CCCCCNC(=O)C1CCOC1 527a_100000209983_100011219752 [0,1,0,1,0,0|2,0,0]=4 16249 B13R1.48 CCCCCNC(=O)N1CCCC1 2708a_100000209983_100000188435 [0,1,0,1,0,0|1,0,0]=3 16250 B13R1.48 CCCCCNC(=O)N1CCCC1 273464a_100000209983_100000188435 [0,1,0,1,0,0|1,0,0]=3 16251 B13R1.48 CCCCCNC(=O)N1CCSC1 2708a_100000209983_100011215254 [0,1,0,1,0,0|2,0,0]=4 16252 B13R1.48 CCCCCNC(=O)N1CCSC1 273464a_100000209983_100011215254 [0,1,0,1,0,0|2,0,0]=4 16253 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 11a_100000209983_100000686382 [0,1,0,1,0,0|2,0,0]=4 16254 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 1626a_100000209983_100000686382 [0,1,0,1,0,0|2,0,0]=4 16255 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 240690a_100000209983_100000686382 [0,1,0,1,0,0|2,0,0]=4 16256 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 527a_100000209983_100000686382 [0,1,0,1,0,0|2,0,0]=4 16257 B13R1.48 CCCCCOC(C)C1CCCC1 34a_100011216366_100000718602 [0,1,0,1,0,0|1,0,1]=4 16258 B13R1.48 CCCCCOC(C)C1CCCC1 7a_100011216366_100000210326 [0,1,0,1,0,0|1,0,1]=4 16259 B13R1.48 CCCCNCC(=O)N1CCCC1 2230a_100000102301_100000183516 [0,1,0,1,0,0|1,0,0]=3 16260 B13R1.48 CCCCNCC(=O)N1CCCC1 2230a_100000751844_100000210211 [0,1,0,1,0,0|1,0,0]=3 16261 B13R1.48 CCCCNCC(=O)N1CCCC1 7a_106832991798_100000183516 [0,1,0,1,0,0|1,0,0]=3 16262 B13R1.48 CCCCNN=C(C)C1CCCC1 4a_100025702795_100000749594 [0,1,0,1,0,0|2,0,0]=4 16263 B13R1.48 CCCCNNC(=O)C1CCCC1 22a_100025702795_100000210718 [0,1,0,1,0,0|1,0,0]=3 16264 B13R1.48 CCCCNNC(=O)C1CCCS1 22a_100025702795_100012002731 [0,1,0,1,0,0|2,0,0]=4 16265 B13R1.48 CCCCNNC(=O)C1CCOC1 22a_100025702795_100011219752 [0,1,0,1,0,0|2,0,0]=4 16266 B13R1.48 CCCCNNC(=O)[C@@H]1CCCO1 22a_100025702795_100000686382 [0,1,0,1,0,0|2,0,0]=4 16267 B13R1.48 CCCCOCC(=O)C1=CCCC1 1458a_100000038896_100011995733 [0,1,0,1,0,0|0,0,2]=4 16268 B13R1.48 CCCCOCC(=O)C1CC=CC1 1458a_100000759439_100011995733 [0,1,0,1,0,0|0,0,2]=4 16269 B13R1.48 CCCCOCC(=O)C1CCCC1 1458a_100000210718_100011995733 [0,1,0,1,0,0|0,0,0]=2 16270 B13R1.48 CCCCOCC(=O)C1CCCC1 1458a_100000757543_100000179811 [0,1,0,1,0,0|0,0,0]=2 16271 B13R1.48 CCCCOCC(=O)C1CCCS1 1458a_100012002731_100011995733 [0,1,0,1,0,0|1,0,0]=3 16272 B13R1.48 CCCCOCC(=O)C1CCOC1 1458a_100000757543_100000690089 [0,1,0,1,0,0|1,0,0]=3 16273 B13R1.48 CCCCOCC(=O)C1CCOC1 1458a_100011219752_100011995733 [0,1,0,1,0,0|1,0,0]=3 16274 B13R1.48 CCCCOCC(=O)N1CCCC1 240690a_100000188435_100000757543 [0,1,0,1,0,0|1,0,0]=3 16275 B13R1.48 CCCCOCC(=O)N1CCCC1 34a_100000210227_100000183516 [0,1,0,1,0,0|1,0,0]=3 16276 B13R1.48 CCCCOCC(=O)N1CCCC1 527a_100000188435_100000757543 [0,1,0,1,0,0|1,0,0]=3 16277 B13R1.48 CCCCOCC(=O)N1CCCC1 7a_100000210227_100000183516 [0,1,0,1,0,0|1,0,0]=3 16278 B13R1.48 CCCCOCC(=O)N1CCCC1 7a_200000752455_100000210211 [0,1,0,1,0,0|1,0,0]=3 16279 B13R1.48 CCCCOCC(=O)N1CCSC1 11a_100011215254_100000757543 [0,1,0,1,0,0|2,0,0]=4 16280 B13R1.48 CCCCOCC(=O)N1CCSC1 240690a_100011215254_100000757543 [0,1,0,1,0,0|2,0,0]=4 16281 B13R1.48 CCCCOCC(=O)N1CCSC1 527a_100011215254_100000757543 [0,1,0,1,0,0|2,0,0]=4 16282 B13R1.48 CCCCOCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011995733 [0,1,0,1,0,0|1,0,0]=3 16283 B13R1.48 CCCCOCN(C)C1CCCC1 2230a_100000207505_100011995733 [0,1,0,1,0,0|2,0,0]=4 16284 B13R1.48 CCCCOCN(C)C1CCCC1 269982a_100000207505_100011995733 [0,1,0,1,0,0|2,0,0]=4 16285 B13R1.48 CCCCOCN(C)C1CCCC1 34a_100000207505_100011995733 [0,1,0,1,0,0|2,0,0]=4 16286 B13R1.48 CCCCSCC(=O)C1CCCC1 1458a_100000191162_100000179811 [0,1,0,1,0,0|0,1,0]=3 16287 B13R1.48 CCCCSCC(=O)C1CCOC1 1458a_100000191162_100000690089 [0,1,0,1,0,0|1,1,0]=4 16288 B13R1.48 CCCCSCC(=O)N1CCCC1 240690a_100000188435_100000191162 [0,1,0,1,0,0|1,0,0]=3 16289 B13R1.48 CCCCSCC(=O)N1CCCC1 527a_100000188435_100000191162 [0,1,0,1,0,0|1,0,0]=3 16290 B13R1.48 CCCCSCC(=O)N1CCCC1 62a_100000183516_100000210210 [0,1,0,1,0,0|1,0,0]=3 16291 B13R1.48 CCCCSCC(=O)N1CCCC1 62a_100000210211_100000183516 [0,1,0,1,0,0|1,0,0]=3 16292 B13R1.48 CCCCSCC(=O)N1CCSC1 11a_100011215254_100000191162 [0,1,0,1,0,0|2,0,0]=4 16293 B13R1.48 CCCCSCC(=O)N1CCSC1 240690a_100011215254_100000191162 [0,1,0,1,0,0|2,0,0]=4 16294 B13R1.48 CCCCSCC(=O)N1CCSC1 527a_100011215254_100000191162 [0,1,0,1,0,0|2,0,0]=4 16295 B13R1.48 CCCOCCC(=O)C1=CCCC1 1458a_100000038896_100011215938 [0,1,0,1,0,0|1,0,1]=4 16296 B13R1.48 CCCOCCC(=O)C1CCCC1 1458a_100000210718_100011215938 [0,1,0,1,0,0|1,0,0]=3 16297 B13R1.48 CCCOCCC(=O)C1CCCS1 1458a_100012002731_100011215938 [0,1,0,1,0,0|2,0,0]=4 16298 B13R1.48 CCCOCCC(=O)C1CCOC1 1458a_100011219752_100011215938 [0,1,0,1,0,0|2,0,0]=4 16299 B13R1.48 CCCOCCC(=O)N1CCCC1 34a_100000210258_100011194422 [0,1,0,1,0,0|1,0,0]=3 16300 B13R1.48 CCCOCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215938 [0,1,0,1,0,0|2,0,0]=4 16301 B13R1.48 CCCSCCC(=O)N1CCCC1 62a_100000210303_100011194422 [0,1,0,1,0,0|1,0,0]=3 16302 B13R1.48 CCCSCCC(=O)N1CCCC1 62a_100011194422_100000210303 [0,1,0,1,0,0|1,0,0]=3 16303 B13R1.48 CCOCCCC(=O)C1=CCCC1 1458a_100000038896_100012232248 [0,1,0,1,0,0|1,0,1]=4 16304 B13R1.48 CCOCCCC(=O)C1CCCC1 1458a_100000210718_100012232248 [0,1,0,1,0,0|1,0,0]=3 16305 B13R1.48 CCOCCCC(=O)C1CCCS1 1458a_100012002731_100012232248 [0,1,0,1,0,0|2,0,0]=4 16306 B13R1.48 CCOCCCC(=O)C1CCOC1 1458a_100011219752_100012232248 [0,1,0,1,0,0|2,0,0]=4 16307 B13R1.48 CCOCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100012232248 [0,1,0,1,0,0|2,0,0]=4 16308 B13R1.48 CCOCCNC(=O)C1CCCC1 11a_100011200944_100000210718 [0,1,0,1,0,0|1,0,0]=3 16309 B13R1.48 CCOCCNC(=O)C1CCCC1 1626a_102516460346_100000210718 [0,1,0,1,0,0|1,0,0]=3 16310 B13R1.48 CCOCCNC(=O)C1CCCC1 240690a_100011200944_100000210718 [0,1,0,1,0,0|1,0,0]=3 16311 B13R1.48 CCOCCNC(=O)C1CCCC1 527a_100011200944_100000210718 [0,1,0,1,0,0|1,0,0]=3 16312 B13R1.48 CCOCCNC(=O)C1CCCS1 11a_100011200944_100012002731 [0,1,0,1,0,0|2,0,0]=4 16313 B13R1.48 CCOCCNC(=O)C1CCCS1 1626a_102516460346_100012002731 [0,1,0,1,0,0|2,0,0]=4 16314 B13R1.48 CCOCCNC(=O)C1CCCS1 240690a_100011200944_100012002731 [0,1,0,1,0,0|2,0,0]=4 16315 B13R1.48 CCOCCNC(=O)C1CCCS1 527a_100011200944_100012002731 [0,1,0,1,0,0|2,0,0]=4 16316 B13R1.48 CCOCCNC(=O)C1CCOC1 11a_100011200944_100011219752 [0,1,0,1,0,0|2,0,0]=4 16317 B13R1.48 CCOCCNC(=O)C1CCOC1 1626a_102516460346_100011219752 [0,1,0,1,0,0|2,0,0]=4 16318 B13R1.48 CCOCCNC(=O)C1CCOC1 240690a_100011200944_100011219752 [0,1,0,1,0,0|2,0,0]=4 16319 B13R1.48 CCOCCNC(=O)C1CCOC1 527a_100011200944_100011219752 [0,1,0,1,0,0|2,0,0]=4 16320 B13R1.48 CCOCCNC(=O)N1CCCC1 2708a_100011200944_100000188435 [0,1,0,1,0,0|2,0,0]=4 16321 B13R1.48 CCOCCNC(=O)N1CCCC1 273464a_102516460346_100000188435 [0,1,0,1,0,0|2,0,0]=4 16322 B13R1.48 CCOCCNC(=O)[C@@H]1CCCO1 11a_100011200944_100000686382 [0,1,0,1,0,0|2,0,0]=4 16323 B13R1.48 CCOCCNC(=O)[C@@H]1CCCO1 1626a_102516460346_100000686382 [0,1,0,1,0,0|2,0,0]=4 16324 B13R1.48 CCOCCNC(=O)[C@@H]1CCCO1 240690a_100011200944_100000686382 [0,1,0,1,0,0|2,0,0]=4 16325 B13R1.48 CCOCCNC(=O)[C@@H]1CCCO1 527a_100011200944_100000686382 [0,1,0,1,0,0|2,0,0]=4 16326 B13R1.48 CCOCCOC(C)C1CCCC1 34a_100011216366_100000210147 [0,1,0,1,0,0|1,0,1]=4 16327 B13R1.48 CCOCCOC(C)C1CCCC1 7a_100011216366_100011215890 [0,1,0,1,0,0|1,0,1]=4 16328 B13R1.48 CCOCSCC(=O)N1CCCC1 62a_100000183516_100000739092 [0,1,0,1,0,0|2,0,0]=4 16329 B13R1.48 CCOCSCC(=O)N1CCCC1 62a_100000739092_100000183516 [0,1,0,1,0,0|2,0,0]=4 16330 B13R1.48 CCSCCNC(=O)C1CCCC1 11a_100000106463_100000210718 [0,1,0,1,0,0|1,0,0]=3 16331 B13R1.48 CCSCCNC(=O)C1CCCC1 1626a_100000106463_100000210718 [0,1,0,1,0,0|1,0,0]=3 16332 B13R1.48 CCSCCNC(=O)C1CCCC1 240690a_100000106463_100000210718 [0,1,0,1,0,0|1,0,0]=3 16333 B13R1.48 CCSCCNC(=O)C1CCCC1 527a_100000106463_100000210718 [0,1,0,1,0,0|1,0,0]=3 16334 B13R1.48 CCSCCNC(=O)C1CCCS1 11a_100000106463_100012002731 [0,1,0,1,0,0|2,0,0]=4 16335 B13R1.48 CCSCCNC(=O)C1CCCS1 1626a_100000106463_100012002731 [0,1,0,1,0,0|2,0,0]=4 16336 B13R1.48 CCSCCNC(=O)C1CCCS1 240690a_100000106463_100012002731 [0,1,0,1,0,0|2,0,0]=4 16337 B13R1.48 CCSCCNC(=O)C1CCCS1 527a_100000106463_100012002731 [0,1,0,1,0,0|2,0,0]=4 16338 B13R1.48 CCSCCNC(=O)C1CCOC1 11a_100000106463_100011219752 [0,1,0,1,0,0|2,0,0]=4 16339 B13R1.48 CCSCCNC(=O)C1CCOC1 1626a_100000106463_100011219752 [0,1,0,1,0,0|2,0,0]=4 16340 B13R1.48 CCSCCNC(=O)C1CCOC1 240690a_100000106463_100011219752 [0,1,0,1,0,0|2,0,0]=4 16341 B13R1.48 CCSCCNC(=O)C1CCOC1 527a_100000106463_100011219752 [0,1,0,1,0,0|2,0,0]=4 16342 B13R1.48 CCSCCNC(=O)N1CCCC1 2708a_100000106463_100000188435 [0,1,0,1,0,0|2,0,0]=4 16343 B13R1.48 CCSCCNC(=O)N1CCCC1 273464a_100000106463_100000188435 [0,1,0,1,0,0|2,0,0]=4 16344 B13R1.48 CCSCCNC(=O)[C@@H]1CCCO1 11a_100000106463_100000686382 [0,1,0,1,0,0|2,0,0]=4 16345 B13R1.48 CCSCCNC(=O)[C@@H]1CCCO1 1626a_100000106463_100000686382 [0,1,0,1,0,0|2,0,0]=4 16346 B13R1.48 CCSCCNC(=O)[C@@H]1CCCO1 240690a_100000106463_100000686382 [0,1,0,1,0,0|2,0,0]=4 16347 B13R1.48 CCSCCNC(=O)[C@@H]1CCCO1 527a_100000106463_100000686382 [0,1,0,1,0,0|2,0,0]=4 16348 B13R1.48 CCSCCOC(C)C1CCCC1 34a_100011216366_100000757381 [0,1,0,1,0,0|1,0,1]=4 16349 B13R1.48 CCSCCOC(C)C1CCCC1 7a_100011216366_100000757381 [0,1,0,1,0,0|1,0,1]=4 16350 B13R1.48 COCCCCC(=O)C1=CCCC1 1458a_100000038896_100000755781 [0,1,0,1,0,0|1,0,1]=4 16351 B13R1.48 COCCCCC(=O)C1CCCC1 1458a_100000210718_100000755781 [0,1,0,1,0,0|1,0,0]=3 16352 B13R1.48 COCCCCC(=O)C1CCCS1 1458a_100012002731_100000755781 [0,1,0,1,0,0|2,0,0]=4 16353 B13R1.48 COCCCCC(=O)C1CCOC1 1458a_100011219752_100000755781 [0,1,0,1,0,0|2,0,0]=4 16354 B13R1.48 COCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000755781 [0,1,0,1,0,0|2,0,0]=4 16355 B13R1.48 COCCCNC(=O)C1CCCC1 1626a_100150723488_100000210718 [0,1,0,1,0,0|1,0,0]=3 16356 B13R1.48 COCCCNC(=O)C1CCCC1 240690a_100150723488_100000210718 [0,1,0,1,0,0|1,0,0]=3 16357 B13R1.48 COCCCNC(=O)C1CCCC1 527a_100150723488_100000210718 [0,1,0,1,0,0|1,0,0]=3 16358 B13R1.48 COCCCNC(=O)C1CCCS1 1626a_100150723488_100012002731 [0,1,0,1,0,0|2,0,0]=4 16359 B13R1.48 COCCCNC(=O)C1CCCS1 240690a_100150723488_100012002731 [0,1,0,1,0,0|2,0,0]=4 16360 B13R1.48 COCCCNC(=O)C1CCCS1 527a_100150723488_100012002731 [0,1,0,1,0,0|2,0,0]=4 16361 B13R1.48 COCCCNC(=O)C1CCOC1 1626a_100150723488_100011219752 [0,1,0,1,0,0|2,0,0]=4 16362 B13R1.48 COCCCNC(=O)C1CCOC1 240690a_100150723488_100011219752 [0,1,0,1,0,0|2,0,0]=4 16363 B13R1.48 COCCCNC(=O)C1CCOC1 527a_100150723488_100011219752 [0,1,0,1,0,0|2,0,0]=4 16364 B13R1.48 COCCCNC(=O)N1CCCC1 2708a_100150723488_100000188435 [0,1,0,1,0,0|2,0,0]=4 16365 B13R1.48 COCCCNC(=O)N1CCCC1 273464a_100150723488_100000188435 [0,1,0,1,0,0|2,0,0]=4 16366 B13R1.48 COCCCNC(=O)[C@@H]1CCCO1 1626a_100150723488_100000686382 [0,1,0,1,0,0|2,0,0]=4 16367 B13R1.48 COCCCNC(=O)[C@@H]1CCCO1 240690a_100150723488_100000686382 [0,1,0,1,0,0|2,0,0]=4 16368 B13R1.48 COCCCNC(=O)[C@@H]1CCCO1 527a_100150723488_100000686382 [0,1,0,1,0,0|2,0,0]=4 16369 B13R1.48 COCCCOC(C)C1CCCC1 34a_100011216366_100000740836 [0,1,0,1,0,0|1,0,1]=4 16370 B13R1.48 COCCCOC(C)C1CCCC1 7a_100011216366_100000740836 [0,1,0,1,0,0|1,0,1]=4 16371 B13R1.48 COCCNCC(=O)N1CCCC1 2230a_100000209980_100000183516 [0,1,0,1,0,0|2,0,0]=4 16372 B13R1.48 COCCNCC(=O)N1CCCC1 2230a_100000751844_100011201679 [0,1,0,1,0,0|2,0,0]=4 16373 B13R1.48 COCCNNC(=O)C1CCCC1 22a_100000741390_100000210718 [0,1,0,1,0,0|2,0,0]=4 16374 B13R1.48 COCCOCC(=O)C1CCCC1 1458a_100000211095_100000179811 [0,1,0,1,0,0|1,0,0]=3 16375 B13R1.48 COCCOCC(=O)C1CCOC1 1458a_100000211095_100000690089 [0,1,0,1,0,0|2,0,0]=4 16376 B13R1.48 COCCOCC(=O)N1CCCC1 240690a_100000188435_100000211095 [0,1,0,1,0,0|2,0,0]=4 16377 B13R1.48 COCCOCC(=O)N1CCCC1 34a_100000210237_100000183516 [0,1,0,1,0,0|2,0,0]=4 16378 B13R1.48 COCCOCC(=O)N1CCCC1 527a_100000188435_100000211095 [0,1,0,1,0,0|2,0,0]=4 16379 B13R1.48 COCCOCC(=O)N1CCCC1 7a_200000752455_100000233755 [0,1,0,1,0,0|2,0,0]=4 16380 B13R1.48 COCCSCC(=O)N1CCCC1 62a_100000183516_100000233755 [0,1,0,1,0,0|2,0,0]=4 16381 B13R1.48 COCCSCC(=O)N1CCCC1 62a_100000233755_100000183516 [0,1,0,1,0,0|2,0,0]=4 16382 B13R1.48 COCSCCC(=O)N1CCCC1 62a_100000766300_100011194422 [0,1,0,1,0,0|2,0,0]=4 16383 B13R1.48 COCSCCC(=O)N1CCCC1 62a_100011194422_100000766300 [0,1,0,1,0,0|2,0,0]=4 16384 B13R1.48 CSCCCNC(=O)C1CCCC1 11a_100000749238_100000210718 [0,1,0,1,0,0|1,0,0]=3 16385 B13R1.48 CSCCCNC(=O)C1CCCC1 1626a_100000749238_100000210718 [0,1,0,1,0,0|1,0,0]=3 16386 B13R1.48 CSCCCNC(=O)C1CCCC1 240690a_100000749238_100000210718 [0,1,0,1,0,0|1,0,0]=3 16387 B13R1.48 CSCCCNC(=O)C1CCCC1 527a_100000749238_100000210718 [0,1,0,1,0,0|1,0,0]=3 16388 B13R1.48 CSCCCNC(=O)C1CCCS1 11a_100000749238_100012002731 [0,1,0,1,0,0|2,0,0]=4 16389 B13R1.48 CSCCCNC(=O)C1CCCS1 1626a_100000749238_100012002731 [0,1,0,1,0,0|2,0,0]=4 16390 B13R1.48 CSCCCNC(=O)C1CCCS1 240690a_100000749238_100012002731 [0,1,0,1,0,0|2,0,0]=4 16391 B13R1.48 CSCCCNC(=O)C1CCCS1 527a_100000749238_100012002731 [0,1,0,1,0,0|2,0,0]=4 16392 B13R1.48 CSCCCNC(=O)C1CCOC1 11a_100000749238_100011219752 [0,1,0,1,0,0|2,0,0]=4 16393 B13R1.48 CSCCCNC(=O)C1CCOC1 1626a_100000749238_100011219752 [0,1,0,1,0,0|2,0,0]=4 16394 B13R1.48 CSCCCNC(=O)C1CCOC1 240690a_100000749238_100011219752 [0,1,0,1,0,0|2,0,0]=4 16395 B13R1.48 CSCCCNC(=O)C1CCOC1 527a_100000749238_100011219752 [0,1,0,1,0,0|2,0,0]=4 16396 B13R1.48 CSCCCNC(=O)N1CCCC1 2708a_100000749238_100000188435 [0,1,0,1,0,0|2,0,0]=4 16397 B13R1.48 CSCCCNC(=O)N1CCCC1 273464a_100000749238_100000188435 [0,1,0,1,0,0|2,0,0]=4 16398 B13R1.48 CSCCCNC(=O)[C@@H]1CCCO1 11a_100000749238_100000686382 [0,1,0,1,0,0|2,0,0]=4 16399 B13R1.48 CSCCCNC(=O)[C@@H]1CCCO1 1626a_100000749238_100000686382 [0,1,0,1,0,0|2,0,0]=4 16400 B13R1.48 CSCCCNC(=O)[C@@H]1CCCO1 240690a_100000749238_100000686382 [0,1,0,1,0,0|2,0,0]=4 16401 B13R1.48 CSCCCNC(=O)[C@@H]1CCCO1 527a_100000749238_100000686382 [0,1,0,1,0,0|2,0,0]=4 16402 B13R1.48 CSCCNCC(=O)N1CCCC1 2230a_100000751844_100000751147 [0,1,0,1,0,0|2,0,0]=4 16403 B13R1.48 CSCCNCC(=O)N1CCCC1 2230a_100020590264_100000183516 [0,1,0,1,0,0|2,0,0]=4 16404 B13R1.48 CSCCOCC(=O)N1CCCC1 34a_100000230434_100000183516 [0,1,0,1,0,0|2,0,0]=4 16405 B13R1.48 CSCCOCC(=O)N1CCCC1 7a_100000230434_100000183516 [0,1,0,1,0,0|2,0,0]=4 16406 B13R1.48 CSCCOCC(=O)N1CCCC1 7a_200000752455_100000212216 [0,1,0,1,0,0|2,0,0]=4 16407 B13R1.48 CSCCSCC(=O)N1CCCC1 62a_100000183516_100000751147 [0,1,0,1,0,0|2,0,0]=4 16408 B13R1.48 CSCCSCC(=O)N1CCCC1 62a_100000212216_100000183516 [0,1,0,1,0,0|2,0,0]=4 16409 B13R1.48 CSCSCCC(=O)N1CCCC1 62a_100011194422_100011218213 [0,1,0,1,0,0|2,0,0]=4 16410 B13R1.48 CSCSCCC(=O)N1CCCC1 62a_100011218213_100011194422 [0,1,0,1,0,0|2,0,0]=4 16411 B13R1.48 N#CCCCCC(=O)C1CCCC1 1458a_100000210718_100000211819 [0,1,0,1,0,0|1,0,1]=4 16412 B13R1.48 NCCCOCC(=O)N1CCCC1 34a_100000182051_100000183516 [0,1,0,1,0,0|2,0,0]=4 16413 B13R1.48 NCCOCCC(=O)N1CCCC1 34a_100000210304_100011194422 [0,1,0,1,0,0|2,0,0]=4 16414 B13R1.48 O=C(CCCCCF)C1=CCCC1 1458a_100000038896_100000729378 [0,1,0,1,0,0|1,0,1]=4 16415 B13R1.48 O=C(CCCCCF)C1CCCC1 1458a_100000210718_100000729378 [0,1,0,1,0,0|1,0,0]=3 16416 B13R1.48 O=C(CCCCCF)C1CCCS1 1458a_100012002731_100000729378 [0,1,0,1,0,0|2,0,0]=4 16417 B13R1.48 O=C(CCCCCF)C1CCOC1 1458a_100011219752_100000729378 [0,1,0,1,0,0|2,0,0]=4 16418 B13R1.48 O=C(CCCCCF)[C@@H]1CCCO1 1458a_100000686382_100000729378 [0,1,0,1,0,0|2,0,0]=4 16419 B13R1.48 O=C(CCCCCO)C1=CCCC1 1458a_100000038896_100000746330 [0,1,0,1,0,0|1,0,1]=4 16420 B13R1.48 O=C(CCCCCO)C1CCCC1 1458a_100000210718_100000746330 [0,1,0,1,0,0|1,0,0]=3 16421 B13R1.48 O=C(CCCCCO)C1CCCC1 1458a_100102619762_100000179811 [0,1,0,1,0,0|1,0,0]=3 16422 B13R1.48 O=C(CCCCCO)C1CCCS1 1458a_100012002731_100000746330 [0,1,0,1,0,0|2,0,0]=4 16423 B13R1.48 O=C(CCCCCO)C1CCOC1 1458a_100011219752_100000746330 [0,1,0,1,0,0|2,0,0]=4 16424 B13R1.48 O=C(CCCCCO)C1CCOC1 1458a_100102619762_100000690089 [0,1,0,1,0,0|2,0,0]=4 16425 B13R1.48 O=C(CCCCCO)N1CCCC1 240690a_100000188435_100102619762 [0,1,0,1,0,0|1,0,0]=3 16426 B13R1.48 O=C(CCCCCO)N1CCSC1 240690a_100011215254_100102619762 [0,1,0,1,0,0|2,0,0]=4 16427 B13R1.48 O=C(CCCCCO)[C@@H]1CCCO1 1458a_100000686382_100000746330 [0,1,0,1,0,0|2,0,0]=4 16428 B13R1.48 O=C(CCNCCF)N1CCCC1 34a_100000724931_100011194422 [0,1,0,1,0,0|2,0,0]=4 16429 B13R1.48 O=C(CCNCCO)N1CCCC1 2230a_100016997473_100011194422 [0,1,0,1,0,0|2,0,0]=4 16430 B13R1.48 O=C(CCNCCO)N1CCCC1 34a_100016990907_100011194422 [0,1,0,1,0,0|2,0,0]=4 16431 B13R1.48 O=C(CCOCCBr)N1CCCC1 34a_100000211926_100011194422 [0,1,0,1,0,0|2,0,0]=4 16432 B13R1.48 O=C(CCOCCO)C1CCCC1 1458a_100000210718_100011215305 [0,1,0,1,0,0|2,0,0]=4 16433 B13R1.48 O=C(CCOCCO)C1CCCC1 1458a_100011229844_100000179811 [0,1,0,1,0,0|2,0,0]=4 16434 B13R1.48 O=C(CCOCCO)N1CCCC1 240690a_100000188435_100011229844 [0,1,0,1,0,0|2,0,0]=4 16435 B13R1.48 O=C(CCSCCF)N1CCCC1 62a_100011194422_100011217306 [0,1,0,1,0,0|2,0,0]=4 16436 B13R1.48 O=C(CCSCCF)N1CCCC1 62a_100011217306_100011194422 [0,1,0,1,0,0|2,0,0]=4 16437 B13R1.48 O=C(CCSCCO)N1CCCC1 62a_100000211926_100011194422 [0,1,0,1,0,0|2,0,0]=4 16438 B13R1.48 O=C(CCSCCO)N1CCCC1 62a_100011194422_100000211926 [0,1,0,1,0,0|2,0,0]=4 16439 B13R1.48 O=C(CNCCCF)N1CCCC1 2230a_100000751844_100011934791 [0,1,0,1,0,0|2,0,0]=4 16440 B13R1.48 O=C(CNCCCF)N1CCCC1 2230a_100015189416_100000183516 [0,1,0,1,0,0|2,0,0]=4 16441 B13R1.48 O=C(CNCCCF)N1CCCC1 34a_100015189416_100000183516 [0,1,0,1,0,0|2,0,0]=4 16442 B13R1.48 O=C(CNCCCO)N1CCCC1 2230a_100000751844_100000230001 [0,1,0,1,0,0|2,0,0]=4 16443 B13R1.48 O=C(COCCCBr)N1CCCC1 34a_100011217188_100000183516 [0,1,0,1,0,0|2,0,0]=4 16444 B13R1.48 O=C(COCCCCl)N1CCCC1 34a_100000230001_100000183516 [0,1,0,1,0,0|2,0,0]=4 16445 B13R1.48 O=C(COCCCF)N1CCCC1 34a_100000759539_100000183516 [0,1,0,1,0,0|2,0,0]=4 16446 B13R1.48 O=C(COCCCF)N1CCCC1 7a_200000752455_100011934791 [0,1,0,1,0,0|2,0,0]=4 16447 B13R1.48 O=C(COCCCO)N1CCCC1 7a_200000752455_100011215043 [0,1,0,1,0,0|2,0,0]=4 16448 B13R1.48 O=C(CSCCCF)N1CCCC1 62a_100000183516_100011934791 [0,1,0,1,0,0|2,0,0]=4 16449 B13R1.48 O=C(CSCCCF)N1CCCC1 62a_100011934791_100000183516 [0,1,0,1,0,0|2,0,0]=4 16450 B13R1.48 O=C(CSCCCO)N1CCCC1 62a_100000183516_100011215043 [0,1,0,1,0,0|2,0,0]=4 16451 B13R1.48 O=C(CSCCCO)N1CCCC1 62a_100011215043_100000183516 [0,1,0,1,0,0|2,0,0]=4 16452 B13R1.48 O=C(NCCCCO)C1CCCC1 240690a_100000750430_100000210718 [0,1,0,1,0,0|1,0,0]=3 16453 B13R1.48 O=C(NCCCCO)C1CCCC1 527a_100000750430_100000210718 [0,1,0,1,0,0|1,0,0]=3 16454 B13R1.48 O=C(NCCCCO)C1CCCS1 240690a_100000750430_100012002731 [0,1,0,1,0,0|2,0,0]=4 16455 B13R1.48 O=C(NCCCCO)C1CCCS1 527a_100000750430_100012002731 [0,1,0,1,0,0|2,0,0]=4 16456 B13R1.48 O=C(NCCCCO)C1CCOC1 240690a_100000750430_100011219752 [0,1,0,1,0,0|2,0,0]=4 16457 B13R1.48 O=C(NCCCCO)C1CCOC1 527a_100000750430_100011219752 [0,1,0,1,0,0|2,0,0]=4 16458 B13R1.48 O=C(NCCCCO)N1CCCC1 2708a_100000750430_100000188435 [0,1,0,1,0,0|2,0,0]=4 16459 B13R1.48 O=C(NCCCCO)N1CCCC1 273464a_100000750430_100000188435 [0,1,0,1,0,0|2,0,0]=4 16460 B13R1.48 O=C(NCCCCO)[C@@H]1CCCO1 240690a_100000750430_100000686382 [0,1,0,1,0,0|2,0,0]=4 16461 B13R1.48 O=C(NCCCCO)[C@@H]1CCCO1 527a_100000750430_100000686382 [0,1,0,1,0,0|2,0,0]=4 16462 B13R1.156 CCCC#CC(=O)CC1CCCC1 1458a_200011218047_100000740388 [0,1,0,1,0,0|1,0,1]=4 16463 B13R1.156 CCCC#CC(=O)CC1CCCO1 1458a_200011218047_100000203698 [0,1,0,1,0,0|1,0,1]=4 16464 B13R1.156 CCCC#CC(=O)CC1CCOC1 1458a_200011218047_100000702531 [0,1,0,1,0,0|1,0,1]=4 16465 B13R1.156 CCCC#CC(=O)NC1CCCC1 240690a_100000211070_200011218047 [0,1,0,1,0,0|1,0,1]=4 16466 B13R1.156 CCCC=CC(=O)CC1CCCC1 1458a_100000212230_100000740388 [0,1,0,1,0,0|1,0,1]=4 16467 B13R1.156 CCCC=CC(=O)CC1CCCO1 1458a_100000212230_100000203698 [0,1,0,1,0,0|1,0,1]=4 16468 B13R1.156 CCCC=CC(=O)CC1CCOC1 1458a_100000212230_100000702531 [0,1,0,1,0,0|1,0,1]=4 16469 B13R1.156 CCCC=CC(=O)NC1CCCC1 11a_100000211070_100000212230 [0,1,0,1,0,0|1,0,1]=4 16470 B13R1.156 CCCC=CC(=O)NC1CCCC1 1626a_100000211070_100000212230 [0,1,0,1,0,0|1,0,1]=4 16471 B13R1.156 CCCC=CC(=O)NC1CCCC1 240690a_100000211070_100000212230 [0,1,0,1,0,0|1,0,1]=4 16472 B13R1.156 CCCCCC(=O)C=C1CCCC1 1458a_100000743260_100000210326 [0,1,0,1,0,0|1,0,0]=3 16473 B13R1.156 CCCCCC(=O)CC1=CCCC1 1458a_100000050221_100000210326 [0,1,0,1,0,0|1,0,1]=4 16474 B13R1.156 CCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210326 [0,1,0,1,0,0|1,0,1]=4 16475 B13R1.156 CCCCCC(=O)CC1CC=CC1 1458a_200000137526_100000210326 [0,1,0,1,0,0|1,0,1]=4 16476 B13R1.156 CCCCCC(=O)CC1CCCC1 1458a_100000210891_100000210326 [0,1,0,1,0,0|1,0,0]=3 16477 B13R1.156 CCCCCC(=O)CC1CCCC1 1458a_100000212188_100000740388 [0,1,0,1,0,0|1,0,0]=3 16478 B13R1.156 CCCCCC(=O)CC1CCCO1 1458a_100000212188_100000203698 [0,1,0,1,0,0|1,0,0]=3 16479 B13R1.156 CCCCCC(=O)CC1CCOC1 1458a_100000212188_100000702531 [0,1,0,1,0,0|1,0,0]=3 16480 B13R1.156 CCCCCC(=O)CC1CCOC1 1458a_100011218419_100000210326 [0,1,0,1,0,0|1,0,0]=3 16481 B13R1.156 CCCCCC(=O)CC1OCCO1 1458a_100000212188_100000755774 [0,1,0,1,0,0|2,0,0]=4 16482 B13R1.156 CCCCCC(=O)CN1CCCC1 1458a_100000740243_100000210326 [0,1,0,1,0,0|1,0,0]=3 16483 B13R1.156 CCCCCC(=O)CN1CCCC1 2230a_100000188435_200012276598 [0,1,0,1,0,0|1,0,0]=3 16484 B13R1.156 CCCCCC(=O)CN1CCCC1 269982a_100000188435_200012276598 [0,1,0,1,0,0|1,0,0]=3 16485 B13R1.156 CCCCCC(=O)CN1CCSC1 2230a_100011215254_200012276598 [0,1,0,1,0,0|2,0,0]=4 16486 B13R1.156 CCCCCC(=O)CN1CCSC1 269982a_100011215254_200012276598 [0,1,0,1,0,0|2,0,0]=4 16487 B13R1.156 CCCCCC(=O)NC1CC=CC1 11a_100015188752_100000212188 [0,1,0,1,0,0|1,0,1]=4 16488 B13R1.156 CCCCCC(=O)NC1CC=CC1 1626a_100015188752_100000212188 [0,1,0,1,0,0|1,0,1]=4 16489 B13R1.156 CCCCCC(=O)NC1CC=CC1 240690a_100015188752_100000212188 [0,1,0,1,0,0|1,0,1]=4 16490 B13R1.156 CCCCCC(=O)NC1CC=CC1 527a_100015188752_100000212188 [0,1,0,1,0,0|1,0,1]=4 16491 B13R1.156 CCCCCC(=O)NC1CCCC1 11a_100000211070_100000212188 [0,1,0,1,0,0|1,0,0]=3 16492 B13R1.156 CCCCCC(=O)NC1CCCC1 1626a_100000211070_100000212188 [0,1,0,1,0,0|1,0,0]=3 16493 B13R1.156 CCCCCC(=O)NC1CCCC1 240690a_100000211070_100000212188 [0,1,0,1,0,0|1,0,0]=3 16494 B13R1.156 CCCCCC(=O)NC1CCCC1 527a_100000211070_100000212188 [0,1,0,1,0,0|1,0,0]=3 16495 B13R1.156 CCCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000212188 [0,1,0,1,0,0|1,0,0]=3 16496 B13R1.156 CCCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000212188 [0,1,0,1,0,0|1,0,0]=3 16497 B13R1.156 CCCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000212188 [0,1,0,1,0,0|1,0,0]=3 16498 B13R1.156 CCCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000212188 [0,1,0,1,0,0|1,0,0]=3 16499 B13R1.156 CCCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000212188 [0,1,0,1,0,0|1,0,0]=3 16500 B13R1.156 CCCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000212188 [0,1,0,1,0,0|1,0,0]=3 16501 B13R1.156 CCCCCC(C)OC1CCCC1 34a_100000210269_200011218191 [0,1,0,1,0,0|1,0,1]=4 16502 B13R1.156 CCCCCC(C)OC1CCCC1 34a_100011215632_100000179811 [0,1,0,1,0,0|1,0,1]=4 16503 B13R1.156 CCCCCC(C)OC1CCCC1 7a_100000210269_200011218191 [0,1,0,1,0,0|1,0,1]=4 16504 B13R1.156 CCCCCC(C)OC1CCCC1 7a_100011215632_100000179811 [0,1,0,1,0,0|1,0,1]=4 16505 B13R1.156 CCCCCC(C)OC1CCCO1 34a_100000085407_200011218191 [0,1,0,1,0,0|1,0,1]=4 16506 B13R1.156 CCCCCC(C)OC1CCOC1 34a_100011215632_100000690089 [0,1,0,1,0,0|1,0,1]=4 16507 B13R1.156 CCCCCC(C)OC1CCOC1 7a_100011215632_100000731011 [0,1,0,1,0,0|1,0,1]=4 16508 B13R1.156 CCCCCC(C)OC1CCSC1 7a_100011232664_200011218191 [0,1,0,1,0,0|1,0,1]=4 16509 B13R1.156 CCCCCC(C)O[C@H]1CCOC1 34a_100000717292_200011218191 [0,1,0,1,0,0|1,0,1]=4 16510 B13R1.156 CCCCNC(=O)C=C1CCCC1 11a_100000102301_100000743260 [0,1,0,1,0,0|1,0,1]=4 16511 B13R1.156 CCCCNC(=O)C=C1CCCC1 1626a_100000102301_100000743260 [0,1,0,1,0,0|1,0,1]=4 16512 B13R1.156 CCCCNC(=O)C=C1CCCC1 240690a_100000102301_100000743260 [0,1,0,1,0,0|1,0,1]=4 16513 B13R1.156 CCCCNC(=O)C=C1CCCC1 527a_100000102301_100000743260 [0,1,0,1,0,0|1,0,1]=4 16514 B13R1.156 CCCCNC(=O)CC1=CCCC1 11a_100000102301_100000050221 [0,1,0,1,0,0|1,0,1]=4 16515 B13R1.156 CCCCNC(=O)CC1=CCCC1 1626a_100000102301_100000050221 [0,1,0,1,0,0|1,0,1]=4 16516 B13R1.156 CCCCNC(=O)CC1=CCCC1 240690a_100000102301_100000050221 [0,1,0,1,0,0|1,0,1]=4 16517 B13R1.156 CCCCNC(=O)CC1=CCCC1 527a_100000102301_100000050221 [0,1,0,1,0,0|1,0,1]=4 16518 B13R1.156 CCCCNC(=O)CC1C=CCC1 11a_100000102301_100000212241 [0,1,0,1,0,0|1,0,1]=4 16519 B13R1.156 CCCCNC(=O)CC1C=CCC1 1626a_100000102301_100000212241 [0,1,0,1,0,0|1,0,1]=4 16520 B13R1.156 CCCCNC(=O)CC1C=CCC1 240690a_100000102301_100000212241 [0,1,0,1,0,0|1,0,1]=4 16521 B13R1.156 CCCCNC(=O)CC1C=CCC1 527a_100000102301_100000212241 [0,1,0,1,0,0|1,0,1]=4 16522 B13R1.156 CCCCNC(=O)CC1CC=CC1 11a_100000102301_200000137526 [0,1,0,1,0,0|1,0,1]=4 16523 B13R1.156 CCCCNC(=O)CC1CC=CC1 1626a_100000102301_200000137526 [0,1,0,1,0,0|1,0,1]=4 16524 B13R1.156 CCCCNC(=O)CC1CC=CC1 240690a_100000102301_200000137526 [0,1,0,1,0,0|1,0,1]=4 16525 B13R1.156 CCCCNC(=O)CC1CC=CC1 527a_100000102301_200000137526 [0,1,0,1,0,0|1,0,1]=4 16526 B13R1.156 CCCCNC(=O)CC1CCCC1 11a_100000102301_100000210891 [0,1,0,1,0,0|1,0,0]=3 16527 B13R1.156 CCCCNC(=O)CC1CCCC1 1626a_100000102301_100000210891 [0,1,0,1,0,0|1,0,0]=3 16528 B13R1.156 CCCCNC(=O)CC1CCCC1 240690a_100000102301_100000210891 [0,1,0,1,0,0|1,0,0]=3 16529 B13R1.156 CCCCNC(=O)CC1CCCC1 527a_100000102301_100000210891 [0,1,0,1,0,0|1,0,0]=3 16530 B13R1.156 CCCCNC(=O)CC1CCOC1 11a_100000102301_100011218419 [0,1,0,1,0,0|1,0,0]=3 16531 B13R1.156 CCCCNC(=O)CC1CCOC1 1626a_100000102301_100011218419 [0,1,0,1,0,0|1,0,0]=3 16532 B13R1.156 CCCCNC(=O)CC1CCOC1 240690a_100000102301_100011218419 [0,1,0,1,0,0|1,0,0]=3 16533 B13R1.156 CCCCNC(=O)CC1CCOC1 527a_100000102301_100011218419 [0,1,0,1,0,0|1,0,0]=3 16534 B13R1.156 CCCCNC(=O)CN1CCCC1 2230a_100000188435_100000182744 [0,1,0,1,0,0|1,0,0]=3 16535 B13R1.156 CCCCNC(=O)CN1CCCC1 240690a_100000102301_100000740243 [0,1,0,1,0,0|1,0,0]=3 16536 B13R1.156 CCCCNC(=O)CN1CCCC1 269982a_100000188435_100000182744 [0,1,0,1,0,0|1,0,0]=3 16537 B13R1.156 CCCCNC(=O)CN1CCCC1 527a_100000102301_100000740243 [0,1,0,1,0,0|1,0,0]=3 16538 B13R1.156 CCCCNC(=O)CN1CCSC1 2230a_100011215254_100000182744 [0,1,0,1,0,0|2,0,0]=4 16539 B13R1.156 CCCCNC(=O)CN1CCSC1 269982a_100011215254_100000182744 [0,1,0,1,0,0|2,0,0]=4 16540 B13R1.156 CCCCNC(=O)NC1CCCC1 2708a_100000102301_100000211070 [0,1,0,1,0,0|1,0,0]=3 16541 B13R1.156 CCCCNC(=O)NC1CCCC1 2708a_100000211070_100000102301 [0,1,0,1,0,0|1,0,0]=3 16542 B13R1.156 CCCCNC(=O)NC1CCCC1 273464a_100000102301_100000211070 [0,1,0,1,0,0|1,0,0]=3 16543 B13R1.156 CCCCNC(=O)NC1CCCC1 273464a_100000211070_100000102301 [0,1,0,1,0,0|1,0,0]=3 16544 B13R1.156 CCCCNC(=O)NC1CCCC1 512a_100000102301_100000211070 [0,1,0,1,0,0|1,0,0]=3 16545 B13R1.156 CCCCNC(=O)NC1CCCC1 512a_100000211070_100000102301 [0,1,0,1,0,0|1,0,0]=3 16546 B13R1.156 CCCCNC(=O)N[C@@H]1CCOC1 2708a_100000102301_200015188469 [0,1,0,1,0,0|2,0,0]=4 16547 B13R1.156 CCCCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100000102301 [0,1,0,1,0,0|2,0,0]=4 16548 B13R1.156 CCCCNC(=O)N[C@@H]1CCOC1 273464a_100000102301_200015188469 [0,1,0,1,0,0|2,0,0]=4 16549 B13R1.156 CCCCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100000102301 [0,1,0,1,0,0|2,0,0]=4 16550 B13R1.156 CCCCNC(=O)N[C@@H]1CCOC1 512a_100000102301_200015188469 [0,1,0,1,0,0|2,0,0]=4 16551 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 2708a_100000102301_100015188467 [0,1,0,1,0,0|2,0,0]=4 16552 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100000102301 [0,1,0,1,0,0|2,0,0]=4 16553 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 273464a_100000102301_100015188467 [0,1,0,1,0,0|2,0,0]=4 16554 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100000102301 [0,1,0,1,0,0|2,0,0]=4 16555 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 512a_100000102301_100015188467 [0,1,0,1,0,0|2,0,0]=4 16556 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 512a_100015188467_100000102301 [0,1,0,1,0,0|2,0,0]=4 16557 B13R1.156 CCCCOC(=O)CN1CC=CC1 269982a_100015195280_100000211628 [0,1,0,1,0,0|0,0,2]=4 16558 B13R1.156 CCCCOC(=O)CN1CCCC1 2230a_100000188435_100000211628 [0,1,0,1,0,0|0,0,0]=2 16559 B13R1.156 CCCCOC(=O)CN1CCCC1 269982a_100000188435_100000211628 [0,1,0,1,0,0|0,0,0]=2 16560 B13R1.156 CCCCOC(=O)CN1CCSC1 2230a_100011215254_100000211628 [0,1,0,1,0,0|1,0,0]=3 16561 B13R1.156 CCCCOC(=O)CN1CCSC1 269982a_100011215254_100000211628 [0,1,0,1,0,0|1,0,0]=3 16562 B13R1.156 CCCNCC(=O)NC1CCCC1 2230a_100000747513_100000210303 [0,1,0,1,0,0|2,0,0]=4 16563 B13R1.156 CCCNNC(=O)CC1CCCC1 22a_100000740057_100000210891 [0,1,0,1,0,0|2,0,0]=4 16564 B13R1.156 CCCNNC(=O)CC1CCOC1 22a_100000740057_100011218419 [0,1,0,1,0,0|2,0,0]=4 16565 B13R1.156 CCCNNC(=O)CN1CCCC1 22a_100000740057_100000740243 [0,1,0,1,0,0|2,0,0]=4 16566 B13R1.156 CCCNNC(=O)NC1CCCC1 273464a_100000211070_100000740057 [0,1,0,1,0,0|2,0,0]=4 16567 B13R1.156 CCCNNC(=O)NC1CCCC1 512a_100000211070_100000740057 [0,1,0,1,0,0|2,0,0]=4 16568 B13R1.156 CCCNNC(=O)NC1CCCC1 512a_100000740057_100000211070 [0,1,0,1,0,0|2,0,0]=4 16569 B13R1.156 CCCOCC(=O)CC1CCCC1 1458a_100000745993_100000740388 [0,1,0,1,0,0|2,0,0]=4 16570 B13R1.156 CCCOCC(=O)CC1CCCO1 1458a_100000745993_100000203698 [0,1,0,1,0,0|2,0,0]=4 16571 B13R1.156 CCCOCC(=O)CC1CCOC1 1458a_100000745993_100000702531 [0,1,0,1,0,0|2,0,0]=4 16572 B13R1.156 CCCOCC(=O)NC1CCCC1 11a_100000211070_100000745993 [0,1,0,1,0,0|2,0,0]=4 16573 B13R1.156 CCCOCC(=O)NC1CCCC1 1626a_100000211070_100000745993 [0,1,0,1,0,0|2,0,0]=4 16574 B13R1.156 CCCOCC(=O)NC1CCCC1 240690a_100000211070_100000745993 [0,1,0,1,0,0|2,0,0]=4 16575 B13R1.156 CCCOCC(=O)NC1CCCC1 34a_100000210258_100000183512 [0,1,0,1,0,0|2,0,0]=4 16576 B13R1.156 CCCOCC(=O)NC1CCCC1 527a_100000211070_100000745993 [0,1,0,1,0,0|2,0,0]=4 16577 B13R1.156 CCCOCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000745993 [0,1,0,1,0,0|2,0,0]=4 16578 B13R1.156 CCCOCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000745993 [0,1,0,1,0,0|2,0,0]=4 16579 B13R1.156 CCCOCC(=O)N[C@H]1CCOC1 11a_100015188467_100000745993 [0,1,0,1,0,0|2,0,0]=4 16580 B13R1.156 CCCOCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000745993 [0,1,0,1,0,0|2,0,0]=4 16581 B13R1.156 CCCOCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000745993 [0,1,0,1,0,0|2,0,0]=4 16582 B13R1.156 CCCOCC(=O)N[C@H]1CCOC1 527a_100015188467_100000745993 [0,1,0,1,0,0|2,0,0]=4 16583 B13R1.156 CCCSCC(=O)CC1CCCC1 1458a_100000217233_100000740388 [0,1,0,1,0,0|2,0,0]=4 16584 B13R1.156 CCCSCC(=O)CC1CCCO1 1458a_100000217233_100000203698 [0,1,0,1,0,0|2,0,0]=4 16585 B13R1.156 CCCSCC(=O)CC1CCOC1 1458a_100000217233_100000702531 [0,1,0,1,0,0|2,0,0]=4 16586 B13R1.156 CCCSCC(=O)NC1CCCC1 11a_100000211070_100000217233 [0,1,0,1,0,0|2,0,0]=4 16587 B13R1.156 CCCSCC(=O)NC1CCCC1 1626a_100000211070_100000217233 [0,1,0,1,0,0|2,0,0]=4 16588 B13R1.156 CCCSCC(=O)NC1CCCC1 240690a_100000211070_100000217233 [0,1,0,1,0,0|2,0,0]=4 16589 B13R1.156 CCCSCC(=O)NC1CCCC1 527a_100000211070_100000217233 [0,1,0,1,0,0|2,0,0]=4 16590 B13R1.156 CCCSCC(=O)NC1CCCC1 62a_100000183512_100000210303 [0,1,0,1,0,0|2,0,0]=4 16591 B13R1.156 CCCSCC(=O)NC1CCCC1 62a_100000210303_100000183512 [0,1,0,1,0,0|2,0,0]=4 16592 B13R1.156 CCCSCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000217233 [0,1,0,1,0,0|2,0,0]=4 16593 B13R1.156 CCCSCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000217233 [0,1,0,1,0,0|2,0,0]=4 16594 B13R1.156 CCCSCC(=O)N[C@H]1CCOC1 11a_100015188467_100000217233 [0,1,0,1,0,0|2,0,0]=4 16595 B13R1.156 CCCSCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000217233 [0,1,0,1,0,0|2,0,0]=4 16596 B13R1.156 CCCSCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000217233 [0,1,0,1,0,0|2,0,0]=4 16597 B13R1.156 CCCSCC(=O)N[C@H]1CCOC1 527a_100015188467_100000217233 [0,1,0,1,0,0|2,0,0]=4 16598 B13R1.156 CCNCCC(=O)NC1CCCC1 2230a_100015525214_100000743710 [0,1,0,1,0,0|2,0,0]=4 16599 B13R1.156 CCOCCC(=O)C=C1CCCC1 1458a_100000743260_100011215890 [0,1,0,1,0,0|2,0,0]=4 16600 B13R1.156 CCOCCC(=O)CC1CCCC1 1458a_100000210891_100011215890 [0,1,0,1,0,0|2,0,0]=4 16601 B13R1.156 CCOCCC(=O)CC1CCCC1 1458a_100000749530_100000740388 [0,1,0,1,0,0|2,0,0]=4 16602 B13R1.156 CCOCCC(=O)CC1CCCO1 1458a_100000749530_100000203698 [0,1,0,1,0,0|2,0,0]=4 16603 B13R1.156 CCOCCC(=O)CC1CCOC1 1458a_100000749530_100000702531 [0,1,0,1,0,0|2,0,0]=4 16604 B13R1.156 CCOCCC(=O)CC1CCOC1 1458a_100011218419_100011215890 [0,1,0,1,0,0|2,0,0]=4 16605 B13R1.156 CCOCCC(=O)CN1CCCC1 1458a_100000740243_100011215890 [0,1,0,1,0,0|2,0,0]=4 16606 B13R1.156 CCOCCC(=O)NC1CCCC1 11a_100000211070_100000749530 [0,1,0,1,0,0|2,0,0]=4 16607 B13R1.156 CCOCCC(=O)NC1CCCC1 1626a_100000211070_100000749530 [0,1,0,1,0,0|2,0,0]=4 16608 B13R1.156 CCOCCC(=O)NC1CCCC1 240690a_100000211070_100000749530 [0,1,0,1,0,0|2,0,0]=4 16609 B13R1.156 CCOCCC(=O)NC1CCCC1 527a_100000211070_100000749530 [0,1,0,1,0,0|2,0,0]=4 16610 B13R1.156 CCOCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000749530 [0,1,0,1,0,0|2,0,0]=4 16611 B13R1.156 CCOCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000749530 [0,1,0,1,0,0|2,0,0]=4 16612 B13R1.156 CCOCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000749530 [0,1,0,1,0,0|2,0,0]=4 16613 B13R1.156 CCOCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000749530 [0,1,0,1,0,0|2,0,0]=4 16614 B13R1.156 CCOCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000749530 [0,1,0,1,0,0|2,0,0]=4 16615 B13R1.156 CCOCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000749530 [0,1,0,1,0,0|2,0,0]=4 16616 B13R1.156 CCSCCC(=O)C=C1CCCC1 1458a_100000743260_100000757381 [0,1,0,1,0,0|2,0,0]=4 16617 B13R1.156 CCSCCC(=O)CC1CCCC1 1458a_100000210891_100000757381 [0,1,0,1,0,0|2,0,0]=4 16618 B13R1.156 CCSCCC(=O)CC1CCCC1 1458a_100000230768_100000740388 [0,1,0,1,0,0|2,0,0]=4 16619 B13R1.156 CCSCCC(=O)CC1CCCO1 1458a_100000230768_100000203698 [0,1,0,1,0,0|2,0,0]=4 16620 B13R1.156 CCSCCC(=O)CC1CCOC1 1458a_100000230768_100000702531 [0,1,0,1,0,0|2,0,0]=4 16621 B13R1.156 CCSCCC(=O)CC1CCOC1 1458a_100011218419_100000757381 [0,1,0,1,0,0|2,0,0]=4 16622 B13R1.156 CCSCCC(=O)CN1CCCC1 1458a_100000740243_100000757381 [0,1,0,1,0,0|2,0,0]=4 16623 B13R1.156 CCSCCC(=O)NC1CCCC1 11a_100000211070_100000230768 [0,1,0,1,0,0|2,0,0]=4 16624 B13R1.156 CCSCCC(=O)NC1CCCC1 1626a_100000211070_100000230768 [0,1,0,1,0,0|2,0,0]=4 16625 B13R1.156 CCSCCC(=O)NC1CCCC1 240690a_100000211070_100000230768 [0,1,0,1,0,0|2,0,0]=4 16626 B13R1.156 CCSCCC(=O)NC1CCCC1 527a_100000211070_100000230768 [0,1,0,1,0,0|2,0,0]=4 16627 B13R1.156 CCSCCC(=O)NC1CCCC1 62a_100000210202_100000743710 [0,1,0,1,0,0|2,0,0]=4 16628 B13R1.156 CCSCCC(=O)NC1CCCC1 62a_100000743710_100000210202 [0,1,0,1,0,0|2,0,0]=4 16629 B13R1.156 CCSCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000230768 [0,1,0,1,0,0|2,0,0]=4 16630 B13R1.156 CCSCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000230768 [0,1,0,1,0,0|2,0,0]=4 16631 B13R1.156 CCSCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000230768 [0,1,0,1,0,0|2,0,0]=4 16632 B13R1.156 CCSCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000230768 [0,1,0,1,0,0|2,0,0]=4 16633 B13R1.156 CCSCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000230768 [0,1,0,1,0,0|2,0,0]=4 16634 B13R1.156 CCSCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000230768 [0,1,0,1,0,0|2,0,0]=4 16635 B13R1.156 COCCCC(=O)C=C1CCCC1 1458a_100000743260_100000740836 [0,1,0,1,0,0|2,0,0]=4 16636 B13R1.156 COCCCC(=O)CC1CCCC1 1458a_100000210891_100000740836 [0,1,0,1,0,0|2,0,0]=4 16637 B13R1.156 COCCCC(=O)CC1CCCC1 1458a_100000741012_100000740388 [0,1,0,1,0,0|2,0,0]=4 16638 B13R1.156 COCCCC(=O)CC1CCCO1 1458a_100000741012_100000203698 [0,1,0,1,0,0|2,0,0]=4 16639 B13R1.156 COCCCC(=O)CC1CCOC1 1458a_100000741012_100000702531 [0,1,0,1,0,0|2,0,0]=4 16640 B13R1.156 COCCCC(=O)CC1CCOC1 1458a_100011218419_100000740836 [0,1,0,1,0,0|2,0,0]=4 16641 B13R1.156 COCCCC(=O)CN1CCCC1 1458a_100000740243_100000740836 [0,1,0,1,0,0|2,0,0]=4 16642 B13R1.156 COCCCC(=O)NC1CCCC1 11a_100000211070_100000741012 [0,1,0,1,0,0|2,0,0]=4 16643 B13R1.156 COCCCC(=O)NC1CCCC1 1626a_100000211070_100000741012 [0,1,0,1,0,0|2,0,0]=4 16644 B13R1.156 COCCCC(=O)NC1CCCC1 240690a_100000211070_100000741012 [0,1,0,1,0,0|2,0,0]=4 16645 B13R1.156 COCCCC(=O)NC1CCCC1 527a_100000211070_100000741012 [0,1,0,1,0,0|2,0,0]=4 16646 B13R1.156 COCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000741012 [0,1,0,1,0,0|2,0,0]=4 16647 B13R1.156 COCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000741012 [0,1,0,1,0,0|2,0,0]=4 16648 B13R1.156 COCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000741012 [0,1,0,1,0,0|2,0,0]=4 16649 B13R1.156 COCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000741012 [0,1,0,1,0,0|2,0,0]=4 16650 B13R1.156 COCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000741012 [0,1,0,1,0,0|2,0,0]=4 16651 B13R1.156 COCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000741012 [0,1,0,1,0,0|2,0,0]=4 16652 B13R1.156 COCCNC(=O)CC1CCCC1 1626a_100000209980_100000210891 [0,1,0,1,0,0|2,0,0]=4 16653 B13R1.156 COCCNC(=O)CC1CCCC1 240690a_100000209980_100000210891 [0,1,0,1,0,0|2,0,0]=4 16654 B13R1.156 COCCNC(=O)CC1CCCC1 527a_100000209980_100000210891 [0,1,0,1,0,0|2,0,0]=4 16655 B13R1.156 COCCNC(=O)CC1CCOC1 1626a_100000209980_100011218419 [0,1,0,1,0,0|2,0,0]=4 16656 B13R1.156 COCCNC(=O)CC1CCOC1 240690a_100000209980_100011218419 [0,1,0,1,0,0|2,0,0]=4 16657 B13R1.156 COCCNC(=O)CC1CCOC1 527a_100000209980_100011218419 [0,1,0,1,0,0|2,0,0]=4 16658 B13R1.156 COCCNC(=O)CN1CCCC1 2230a_100000188435_100000183275 [0,1,0,1,0,0|2,0,0]=4 16659 B13R1.156 COCCNC(=O)CN1CCCC1 240690a_100000209980_100000740243 [0,1,0,1,0,0|2,0,0]=4 16660 B13R1.156 COCCNC(=O)CN1CCCC1 269982a_100000188435_100000183275 [0,1,0,1,0,0|2,0,0]=4 16661 B13R1.156 COCCNC(=O)CN1CCCC1 527a_100000209980_100000740243 [0,1,0,1,0,0|2,0,0]=4 16662 B13R1.156 COCCNC(=O)NC1CCCC1 2708a_100000211070_100000209980 [0,1,0,1,0,0|2,0,0]=4 16663 B13R1.156 COCCNC(=O)NC1CCCC1 273464a_100000209980_100000211070 [0,1,0,1,0,0|2,0,0]=4 16664 B13R1.156 COCCNC(=O)NC1CCCC1 273464a_100000211070_100000209980 [0,1,0,1,0,0|2,0,0]=4 16665 B13R1.156 COCCOC(=O)CN1CCCC1 2230a_100000188435_200000040189 [0,1,0,1,0,0|1,0,0]=3 16666 B13R1.156 COCCOC(=O)CN1CCCC1 269982a_100000188435_200000040189 [0,1,0,1,0,0|1,0,0]=3 16667 B13R1.156 COCCOC(=O)CN1CCSC1 2230a_100011215254_200000040189 [0,1,0,1,0,0|2,0,0]=4 16668 B13R1.156 COCCOC(=O)CN1CCSC1 269982a_100011215254_200000040189 [0,1,0,1,0,0|2,0,0]=4 16669 B13R1.156 CSCCCC(=O)CC1CCCC1 1458a_100000173376_100000740388 [0,1,0,1,0,0|2,0,0]=4 16670 B13R1.156 CSCCCC(=O)CC1CCCO1 1458a_100000173376_100000203698 [0,1,0,1,0,0|2,0,0]=4 16671 B13R1.156 CSCCCC(=O)CC1CCOC1 1458a_100000173376_100000702531 [0,1,0,1,0,0|2,0,0]=4 16672 B13R1.156 CSCCCC(=O)NC1CCCC1 11a_100000211070_100000173376 [0,1,0,1,0,0|2,0,0]=4 16673 B13R1.156 CSCCCC(=O)NC1CCCC1 1626a_100000211070_100000173376 [0,1,0,1,0,0|2,0,0]=4 16674 B13R1.156 CSCCCC(=O)NC1CCCC1 240690a_100000211070_100000173376 [0,1,0,1,0,0|2,0,0]=4 16675 B13R1.156 CSCCCC(=O)NC1CCCC1 527a_100000211070_100000173376 [0,1,0,1,0,0|2,0,0]=4 16676 B13R1.156 CSCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000173376 [0,1,0,1,0,0|2,0,0]=4 16677 B13R1.156 CSCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000173376 [0,1,0,1,0,0|2,0,0]=4 16678 B13R1.156 CSCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000173376 [0,1,0,1,0,0|2,0,0]=4 16679 B13R1.156 CSCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000173376 [0,1,0,1,0,0|2,0,0]=4 16680 B13R1.156 CSCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000173376 [0,1,0,1,0,0|2,0,0]=4 16681 B13R1.156 CSCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000173376 [0,1,0,1,0,0|2,0,0]=4 16682 B13R1.156 CSCCNC(=O)CC1CCCC1 11a_100020590264_100000210891 [0,1,0,1,0,0|2,0,0]=4 16683 B13R1.156 CSCCNC(=O)CC1CCCC1 1626a_100020590264_100000210891 [0,1,0,1,0,0|2,0,0]=4 16684 B13R1.156 CSCCNC(=O)CC1CCCC1 240690a_100020590264_100000210891 [0,1,0,1,0,0|2,0,0]=4 16685 B13R1.156 CSCCNC(=O)CC1CCCC1 527a_100020590264_100000210891 [0,1,0,1,0,0|2,0,0]=4 16686 B13R1.156 CSCCNC(=O)CC1CCOC1 11a_100020590264_100011218419 [0,1,0,1,0,0|2,0,0]=4 16687 B13R1.156 CSCCNC(=O)CC1CCOC1 1626a_100020590264_100011218419 [0,1,0,1,0,0|2,0,0]=4 16688 B13R1.156 CSCCNC(=O)CC1CCOC1 240690a_100020590264_100011218419 [0,1,0,1,0,0|2,0,0]=4 16689 B13R1.156 CSCCNC(=O)CC1CCOC1 527a_100020590264_100011218419 [0,1,0,1,0,0|2,0,0]=4 16690 B13R1.156 CSCCNC(=O)CN1CCCC1 240690a_100020590264_100000740243 [0,1,0,1,0,0|2,0,0]=4 16691 B13R1.156 CSCCNC(=O)CN1CCCC1 527a_100020590264_100000740243 [0,1,0,1,0,0|2,0,0]=4 16692 B13R1.156 CSCCNC(=O)NC1CCCC1 2708a_100000211070_100020590264 [0,1,0,1,0,0|2,0,0]=4 16693 B13R1.156 CSCCNC(=O)NC1CCCC1 2708a_100020590264_100000211070 [0,1,0,1,0,0|2,0,0]=4 16694 B13R1.156 CSCCNC(=O)NC1CCCC1 273464a_100000211070_100020590264 [0,1,0,1,0,0|2,0,0]=4 16695 B13R1.156 CSCCNC(=O)NC1CCCC1 273464a_100020590264_100000211070 [0,1,0,1,0,0|2,0,0]=4 16696 B13R1.156 CSCCNC(=O)NC1CCCC1 512a_100000211070_100020590264 [0,1,0,1,0,0|2,0,0]=4 16697 B13R1.156 CSCCNC(=O)NC1CCCC1 512a_100020590264_100000211070 [0,1,0,1,0,0|2,0,0]=4 16698 B13R1.156 O=C(C=C1CCCC1)CCCCF 1458a_100000743260_100000729493 [0,1,0,1,0,0|2,0,0]=4 16699 B13R1.156 O=C(C=C1CCCC1)CCCCO 1458a_100000743260_100000210776 [0,1,0,1,0,0|2,0,0]=4 16700 B13R1.156 O=C(CC1CCCC1)NCCCF 11a_100015189416_100000210891 [0,1,0,1,0,0|2,0,0]=4 16701 B13R1.156 O=C(CC1CCCC1)NCCCF 1626a_100015189416_100000210891 [0,1,0,1,0,0|2,0,0]=4 16702 B13R1.156 O=C(CC1CCCC1)NCCCF 240690a_100015189416_100000210891 [0,1,0,1,0,0|2,0,0]=4 16703 B13R1.156 O=C(CC1CCCC1)NCCCF 527a_100015189416_100000210891 [0,1,0,1,0,0|2,0,0]=4 16704 B13R1.156 O=C(CC1CCCC1)NCCCO 240690a_100000182051_100000210891 [0,1,0,1,0,0|2,0,0]=4 16705 B13R1.156 O=C(CC1CCCC1)NCCCO 527a_100000182051_100000210891 [0,1,0,1,0,0|2,0,0]=4 16706 B13R1.156 O=C(CC1CCOC1)NCCCF 11a_100015189416_100011218419 [0,1,0,1,0,0|2,0,0]=4 16707 B13R1.156 O=C(CC1CCOC1)NCCCF 1626a_100015189416_100011218419 [0,1,0,1,0,0|2,0,0]=4 16708 B13R1.156 O=C(CC1CCOC1)NCCCF 240690a_100015189416_100011218419 [0,1,0,1,0,0|2,0,0]=4 16709 B13R1.156 O=C(CC1CCOC1)NCCCF 527a_100015189416_100011218419 [0,1,0,1,0,0|2,0,0]=4 16710 B13R1.156 O=C(CC1CCOC1)NCCCO 240690a_100000182051_100011218419 [0,1,0,1,0,0|2,0,0]=4 16711 B13R1.156 O=C(CC1CCOC1)NCCCO 527a_100000182051_100011218419 [0,1,0,1,0,0|2,0,0]=4 16712 B13R1.156 O=C(CCCCF)CC1CCCC1 1458a_100000210891_100000729493 [0,1,0,1,0,0|2,0,0]=4 16713 B13R1.156 O=C(CCCCF)CC1CCOC1 1458a_100011218419_100000729493 [0,1,0,1,0,0|2,0,0]=4 16714 B13R1.156 O=C(CCCCF)CN1CCCC1 1458a_100000740243_100000729493 [0,1,0,1,0,0|2,0,0]=4 16715 B13R1.156 O=C(CCCCO)CC1CCCC1 1458a_100000210891_100000210776 [0,1,0,1,0,0|2,0,0]=4 16716 B13R1.156 O=C(CCCCO)CC1CCCC1 1458a_100000695505_100000740388 [0,1,0,1,0,0|2,0,0]=4 16717 B13R1.156 O=C(CCCCO)CC1CCCO1 1458a_100000695505_100000203698 [0,1,0,1,0,0|2,0,0]=4 16718 B13R1.156 O=C(CCCCO)CC1CCOC1 1458a_100000695505_100000702531 [0,1,0,1,0,0|2,0,0]=4 16719 B13R1.156 O=C(CCCCO)CC1CCOC1 1458a_100011218419_100000210776 [0,1,0,1,0,0|2,0,0]=4 16720 B13R1.156 O=C(CCCCO)CN1CCCC1 1458a_100000740243_100000210776 [0,1,0,1,0,0|2,0,0]=4 16721 B13R1.156 O=C(CCCCO)NC1CCCC1 1626a_100000211070_100000695505 [0,1,0,1,0,0|2,0,0]=4 16722 B13R1.156 O=C(CCCCO)N[C@H]1CCOC1 1626a_100015188467_100000695505 [0,1,0,1,0,0|2,0,0]=4 16723 B13R1.156 O=C(CN1CCCC1)NCCCF 240690a_100015189416_100000740243 [0,1,0,1,0,0|2,0,0]=4 16724 B13R1.156 O=C(CN1CCCC1)NCCCF 527a_100015189416_100000740243 [0,1,0,1,0,0|2,0,0]=4 16725 B13R1.156 O=C(CN1CCCC1)NCCCO 240690a_100000182051_100000740243 [0,1,0,1,0,0|2,0,0]=4 16726 B13R1.156 O=C(CN1CCCC1)NCCCO 527a_100000182051_100000740243 [0,1,0,1,0,0|2,0,0]=4 16727 B13R1.156 O=C(NCCCF)NC1CCCC1 2708a_100000211070_100015189416 [0,1,0,1,0,0|2,0,0]=4 16728 B13R1.156 O=C(NCCCF)NC1CCCC1 2708a_100015189416_100000211070 [0,1,0,1,0,0|2,0,0]=4 16729 B13R1.156 O=C(NCCCF)NC1CCCC1 273464a_100000211070_100015189416 [0,1,0,1,0,0|2,0,0]=4 16730 B13R1.156 O=C(NCCCF)NC1CCCC1 273464a_100015189416_100000211070 [0,1,0,1,0,0|2,0,0]=4 16731 B13R1.156 O=C(NCCCF)NC1CCCC1 512a_100000211070_100015189416 [0,1,0,1,0,0|2,0,0]=4 16732 B13R1.156 O=C(NCCCF)NC1CCCC1 512a_100015189416_100000211070 [0,1,0,1,0,0|2,0,0]=4 16733 B13R1.156 O=C(NCCCO)NC1CCCC1 2708a_100000211070_100000182051 [0,1,0,1,0,0|2,0,0]=4 16734 B13R1.156 O=C(NCCCO)NC1CCCC1 273464a_100000182051_100000211070 [0,1,0,1,0,0|2,0,0]=4 16735 B13R1.156 O=C(NCCCO)NC1CCCC1 273464a_100000211070_100000182051 [0,1,0,1,0,0|2,0,0]=4 16736 B13R1.156 O=C(NCCCO)NC1CCCC1 512a_100000211070_100000182051 [0,1,0,1,0,0|2,0,0]=4 16737 B13R1.189 CCCCNN=C1CCC(C1)CC 4a_100025702795_100011218773 [0,1,0,1,0,0|2,0,0]=4 16738 B13R1.657 CCCCCc1nc(no1)CCC 270196a_100011193412_100000212188 [0,1,0,1,0,0|1,0,1]=4 16739 B13R1.657 CCCCCc1noc(n1)CCC 270196a_200011207956_100000211992 [0,1,0,1,0,0|1,0,1]=4 16740 B13R1.666 CCCCOC1CCCC(C1)CC 7a_100011985506_100000210211 [0,1,0,1,0,0|1,0,1]=4 16741 B13R1.666 CCCCOC1CCCC(C1)CN 34a_100011254705_100000210210 [0,1,0,1,0,0|1,0,1]=4 16742 B13R1.725 CC1CCCC1C(=O)CCCCF 1458a_100000690547_100000729493 [0,1,0,1,0,0|2,0,0]=4 16743 B13R1.725 CC1CCCC1C(=O)CCCCO 1458a_100000690547_100000210776 [0,1,0,1,0,0|2,0,0]=4 16744 B13R1.725 CC1CCCC1C(=O)NCCCF 11a_100015189416_100000690547 [0,1,0,1,0,0|2,0,0]=4 16745 B13R1.725 CC1CCCC1C(=O)NCCCF 1626a_100015189416_100000690547 [0,1,0,1,0,0|2,0,0]=4 16746 B13R1.725 CC1CCCC1C(=O)NCCCF 240690a_100015189416_100000690547 [0,1,0,1,0,0|2,0,0]=4 16747 B13R1.725 CC1CCCC1C(=O)NCCCF 527a_100015189416_100000690547 [0,1,0,1,0,0|2,0,0]=4 16748 B13R1.725 CC1CCCC1C(=O)NCCCO 240690a_100000182051_100000690547 [0,1,0,1,0,0|2,0,0]=4 16749 B13R1.725 CC1CCCC1C(=O)NCCCO 527a_100000182051_100000690547 [0,1,0,1,0,0|2,0,0]=4 16750 B13R1.725 CC1SCCN1C(=O)CCCCO 1626a_200011216479_100000695505 [0,1,0,1,0,0|2,0,0]=4 16751 B13R1.725 CCCC#CC(=O)N1CCC[C@@H]1C 240690a_100020605311_200011218047 [0,1,0,1,0,0|1,0,1]=4 16752 B13R1.725 CCCC#CC(=O)N1CCC[C@H]1C 240690a_100015189458_200011218047 [0,1,0,1,0,0|1,0,1]=4 16753 B13R1.725 CCCC=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000212230 [0,1,0,1,0,0|1,0,1]=4 16754 B13R1.725 CCCC=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000212230 [0,1,0,1,0,0|1,0,1]=4 16755 B13R1.725 CCCC=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000212230 [0,1,0,1,0,0|1,0,1]=4 16756 B13R1.725 CCCCCC(=O)C1CCCC1=O 1458a_100000212188_100000211823 [0,1,0,1,0,0|1,0,1]=4 16757 B13R1.725 CCCCCC(=O)C1CCCC1C 1458a_100000690547_100000210326 [0,1,0,1,0,0|1,0,0]=3 16758 B13R1.725 CCCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000212188 [0,1,0,1,0,0|1,0,0]=3 16759 B13R1.725 CCCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000212188 [0,1,0,1,0,0|1,0,0]=3 16760 B13R1.725 CCCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000212188 [0,1,0,1,0,0|1,0,0]=3 16761 B13R1.725 CCCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000212188 [0,1,0,1,0,0|1,0,0]=3 16762 B13R1.725 CCCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000212188 [0,1,0,1,0,0|1,0,0]=3 16763 B13R1.725 CCCCCC(=O)N1CCSC1C 11a_200011216479_100000212188 [0,1,0,1,0,0|1,0,0]=3 16764 B13R1.725 CCCCCC(=O)N1CCSC1C 1626a_200011216479_100000212188 [0,1,0,1,0,0|1,0,0]=3 16765 B13R1.725 CCCCCC(=O)N1CCSC1C 240690a_200011216479_100000212188 [0,1,0,1,0,0|1,0,0]=3 16766 B13R1.725 CCCCCC(=O)N1CCSC1C 527a_200011216479_100000212188 [0,1,0,1,0,0|1,0,0]=3 16767 B13R1.725 CCCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210326 [0,1,0,1,0,0|1,0,0]=3 16768 B13R1.725 CCCCNC(=O)C1CCCC1C 11a_100000102301_100000690547 [0,1,0,1,0,0|1,0,0]=3 16769 B13R1.725 CCCCNC(=O)C1CCCC1C 1626a_100000102301_100000690547 [0,1,0,1,0,0|1,0,0]=3 16770 B13R1.725 CCCCNC(=O)C1CCCC1C 240690a_100000102301_100000690547 [0,1,0,1,0,0|1,0,0]=3 16771 B13R1.725 CCCCNC(=O)C1CCCC1C 527a_100000102301_100000690547 [0,1,0,1,0,0|1,0,0]=3 16772 B13R1.725 CCCCNC(=O)C1CSCN1C 240690a_100000102301_100020666735 [0,1,0,1,0,0|2,0,0]=4 16773 B13R1.725 CCCCNC(=O)N1CCC[C@@H]1C 2708a_100000102301_100020605311 [0,1,0,1,0,0|1,0,0]=3 16774 B13R1.725 CCCCNC(=O)N1CCC[C@@H]1C 273464a_100000102301_100020605311 [0,1,0,1,0,0|1,0,0]=3 16775 B13R1.725 CCCCNC(=O)N1CCC[C@H]1C 2708a_100000102301_100015189458 [0,1,0,1,0,0|1,0,0]=3 16776 B13R1.725 CCCCNC(=O)N1CCC[C@H]1C 273464a_100000102301_100015189458 [0,1,0,1,0,0|1,0,0]=3 16777 B13R1.725 CCCCNC(=O)N1CCSC1C 2708a_100000102301_200011216479 [0,1,0,1,0,0|2,0,0]=4 16778 B13R1.725 CCCCNC(=O)N1CCSC1C 273464a_100000102301_200011216479 [0,1,0,1,0,0|2,0,0]=4 16779 B13R1.725 CCCCNC(=O)[C@@H]1CCCN1C 11a_100000102301_100009816429 [0,1,0,1,0,0|1,0,0]=3 16780 B13R1.725 CCCCNC(=O)[C@@H]1CCCN1C 240690a_100000102301_100009816429 [0,1,0,1,0,0|1,0,0]=3 16781 B13R1.725 CCCCNC(=O)[C@@H]1CCCN1C 527a_100000102301_100009816429 [0,1,0,1,0,0|1,0,0]=3 16782 B13R1.725 CCCCO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_100000210210 [0,1,0,1,0,0|1,0,1]=4 16783 B13R1.725 CCCNNC(=O)C1CCCC1C 22a_100000740057_100000690547 [0,1,0,1,0,0|2,0,0]=4 16784 B13R1.725 CCCNNC(=O)[C@@H]1CCCN1C 22a_100000740057_100009816429 [0,1,0,1,0,0|2,0,0]=4 16785 B13R1.725 CCCOCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000745993 [0,1,0,1,0,0|2,0,0]=4 16786 B13R1.725 CCCOCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000745993 [0,1,0,1,0,0|2,0,0]=4 16787 B13R1.725 CCCOCC(=O)N1CCC[C@H]1C 11a_100015189458_100000745993 [0,1,0,1,0,0|2,0,0]=4 16788 B13R1.725 CCCOCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000745993 [0,1,0,1,0,0|2,0,0]=4 16789 B13R1.725 CCCOCC(=O)N1CCC[C@H]1C 527a_100015189458_100000745993 [0,1,0,1,0,0|2,0,0]=4 16790 B13R1.725 CCCOCC(=O)N1CCSC1C 11a_200011216479_100000745993 [0,1,0,1,0,0|2,0,0]=4 16791 B13R1.725 CCCOCC(=O)N1CCSC1C 1626a_200011216479_100000745993 [0,1,0,1,0,0|2,0,0]=4 16792 B13R1.725 CCCOCC(=O)N1CCSC1C 240690a_200011216479_100000745993 [0,1,0,1,0,0|2,0,0]=4 16793 B13R1.725 CCCOCC(=O)N1CCSC1C 527a_200011216479_100000745993 [0,1,0,1,0,0|2,0,0]=4 16794 B13R1.725 CCCSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000217233 [0,1,0,1,0,0|2,0,0]=4 16795 B13R1.725 CCCSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000217233 [0,1,0,1,0,0|2,0,0]=4 16796 B13R1.725 CCCSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000217233 [0,1,0,1,0,0|2,0,0]=4 16797 B13R1.725 CCCSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000217233 [0,1,0,1,0,0|2,0,0]=4 16798 B13R1.725 CCCSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000217233 [0,1,0,1,0,0|2,0,0]=4 16799 B13R1.725 CCCSCC(=O)N1CCSC1C 11a_200011216479_100000217233 [0,1,0,1,0,0|2,0,0]=4 16800 B13R1.725 CCCSCC(=O)N1CCSC1C 1626a_200011216479_100000217233 [0,1,0,1,0,0|2,0,0]=4 16801 B13R1.725 CCCSCC(=O)N1CCSC1C 240690a_200011216479_100000217233 [0,1,0,1,0,0|2,0,0]=4 16802 B13R1.725 CCCSCC(=O)N1CCSC1C 527a_200011216479_100000217233 [0,1,0,1,0,0|2,0,0]=4 16803 B13R1.725 CCOCCC(=O)C1CCCC1C 1458a_100000690547_100011215890 [0,1,0,1,0,0|2,0,0]=4 16804 B13R1.725 CCOCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000749530 [0,1,0,1,0,0|2,0,0]=4 16805 B13R1.725 CCOCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000749530 [0,1,0,1,0,0|2,0,0]=4 16806 B13R1.725 CCOCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000749530 [0,1,0,1,0,0|2,0,0]=4 16807 B13R1.725 CCOCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000749530 [0,1,0,1,0,0|2,0,0]=4 16808 B13R1.725 CCOCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000749530 [0,1,0,1,0,0|2,0,0]=4 16809 B13R1.725 CCOCCC(=O)N1CCSC1C 11a_200011216479_100000749530 [0,1,0,1,0,0|2,0,0]=4 16810 B13R1.725 CCOCCC(=O)N1CCSC1C 1626a_200011216479_100000749530 [0,1,0,1,0,0|2,0,0]=4 16811 B13R1.725 CCOCCC(=O)N1CCSC1C 240690a_200011216479_100000749530 [0,1,0,1,0,0|2,0,0]=4 16812 B13R1.725 CCOCCC(=O)N1CCSC1C 527a_200011216479_100000749530 [0,1,0,1,0,0|2,0,0]=4 16813 B13R1.725 CCOCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011215890 [0,1,0,1,0,0|2,0,0]=4 16814 B13R1.725 CCSCCC(=O)C1CCCC1C 1458a_100000690547_100000757381 [0,1,0,1,0,0|2,0,0]=4 16815 B13R1.725 CCSCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000230768 [0,1,0,1,0,0|2,0,0]=4 16816 B13R1.725 CCSCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000230768 [0,1,0,1,0,0|2,0,0]=4 16817 B13R1.725 CCSCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000230768 [0,1,0,1,0,0|2,0,0]=4 16818 B13R1.725 CCSCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000230768 [0,1,0,1,0,0|2,0,0]=4 16819 B13R1.725 CCSCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000230768 [0,1,0,1,0,0|2,0,0]=4 16820 B13R1.725 CCSCCC(=O)N1CCSC1C 11a_200011216479_100000230768 [0,1,0,1,0,0|2,0,0]=4 16821 B13R1.725 CCSCCC(=O)N1CCSC1C 1626a_200011216479_100000230768 [0,1,0,1,0,0|2,0,0]=4 16822 B13R1.725 CCSCCC(=O)N1CCSC1C 240690a_200011216479_100000230768 [0,1,0,1,0,0|2,0,0]=4 16823 B13R1.725 CCSCCC(=O)N1CCSC1C 527a_200011216479_100000230768 [0,1,0,1,0,0|2,0,0]=4 16824 B13R1.725 CCSCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000757381 [0,1,0,1,0,0|2,0,0]=4 16825 B13R1.725 CN1CCC[C@H]1C(=O)CCCCF 1458a_100009816429_100000729493 [0,1,0,1,0,0|2,0,0]=4 16826 B13R1.725 CN1CCC[C@H]1C(=O)CCCCO 1458a_100009816429_100000210776 [0,1,0,1,0,0|2,0,0]=4 16827 B13R1.725 CN1CCC[C@H]1C(=O)NCCCF 11a_100015189416_100009816429 [0,1,0,1,0,0|2,0,0]=4 16828 B13R1.725 CN1CCC[C@H]1C(=O)NCCCF 240690a_100015189416_100009816429 [0,1,0,1,0,0|2,0,0]=4 16829 B13R1.725 CN1CCC[C@H]1C(=O)NCCCF 527a_100015189416_100009816429 [0,1,0,1,0,0|2,0,0]=4 16830 B13R1.725 CN1CCC[C@H]1C(=O)NCCCO 240690a_100000182051_100009816429 [0,1,0,1,0,0|2,0,0]=4 16831 B13R1.725 CN1CCC[C@H]1C(=O)NCCCO 527a_100000182051_100009816429 [0,1,0,1,0,0|2,0,0]=4 16832 B13R1.725 COCCCC(=O)C1CCCC1C 1458a_100000690547_100000740836 [0,1,0,1,0,0|2,0,0]=4 16833 B13R1.725 COCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000741012 [0,1,0,1,0,0|2,0,0]=4 16834 B13R1.725 COCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000741012 [0,1,0,1,0,0|2,0,0]=4 16835 B13R1.725 COCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000741012 [0,1,0,1,0,0|2,0,0]=4 16836 B13R1.725 COCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000741012 [0,1,0,1,0,0|2,0,0]=4 16837 B13R1.725 COCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000741012 [0,1,0,1,0,0|2,0,0]=4 16838 B13R1.725 COCCCC(=O)N1CCSC1C 11a_200011216479_100000741012 [0,1,0,1,0,0|2,0,0]=4 16839 B13R1.725 COCCCC(=O)N1CCSC1C 1626a_200011216479_100000741012 [0,1,0,1,0,0|2,0,0]=4 16840 B13R1.725 COCCCC(=O)N1CCSC1C 240690a_200011216479_100000741012 [0,1,0,1,0,0|2,0,0]=4 16841 B13R1.725 COCCCC(=O)N1CCSC1C 527a_200011216479_100000741012 [0,1,0,1,0,0|2,0,0]=4 16842 B13R1.725 COCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000740836 [0,1,0,1,0,0|2,0,0]=4 16843 B13R1.725 COCCNC(=O)C1CCCC1C 1626a_100000209980_100000690547 [0,1,0,1,0,0|2,0,0]=4 16844 B13R1.725 COCCNC(=O)C1CCCC1C 240690a_100000209980_100000690547 [0,1,0,1,0,0|2,0,0]=4 16845 B13R1.725 COCCNC(=O)C1CCCC1C 527a_100000209980_100000690547 [0,1,0,1,0,0|2,0,0]=4 16846 B13R1.725 COCCNC(=O)N1CCC[C@@H]1C 273464a_100000209980_100020605311 [0,1,0,1,0,0|2,0,0]=4 16847 B13R1.725 COCCNC(=O)N1CCC[C@H]1C 273464a_100000209980_100015189458 [0,1,0,1,0,0|2,0,0]=4 16848 B13R1.725 COCCNC(=O)[C@@H]1CCCN1C 240690a_100000209980_100009816429 [0,1,0,1,0,0|2,0,0]=4 16849 B13R1.725 COCCNC(=O)[C@@H]1CCCN1C 527a_100000209980_100009816429 [0,1,0,1,0,0|2,0,0]=4 16850 B13R1.725 CSCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000173376 [0,1,0,1,0,0|2,0,0]=4 16851 B13R1.725 CSCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000173376 [0,1,0,1,0,0|2,0,0]=4 16852 B13R1.725 CSCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000173376 [0,1,0,1,0,0|2,0,0]=4 16853 B13R1.725 CSCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000173376 [0,1,0,1,0,0|2,0,0]=4 16854 B13R1.725 CSCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000173376 [0,1,0,1,0,0|2,0,0]=4 16855 B13R1.725 CSCCCC(=O)N1CCSC1C 11a_200011216479_100000173376 [0,1,0,1,0,0|2,0,0]=4 16856 B13R1.725 CSCCCC(=O)N1CCSC1C 1626a_200011216479_100000173376 [0,1,0,1,0,0|2,0,0]=4 16857 B13R1.725 CSCCCC(=O)N1CCSC1C 240690a_200011216479_100000173376 [0,1,0,1,0,0|2,0,0]=4 16858 B13R1.725 CSCCCC(=O)N1CCSC1C 527a_200011216479_100000173376 [0,1,0,1,0,0|2,0,0]=4 16859 B13R1.725 CSCCNC(=O)C1CCCC1C 11a_100020590264_100000690547 [0,1,0,1,0,0|2,0,0]=4 16860 B13R1.725 CSCCNC(=O)C1CCCC1C 1626a_100020590264_100000690547 [0,1,0,1,0,0|2,0,0]=4 16861 B13R1.725 CSCCNC(=O)C1CCCC1C 240690a_100020590264_100000690547 [0,1,0,1,0,0|2,0,0]=4 16862 B13R1.725 CSCCNC(=O)C1CCCC1C 527a_100020590264_100000690547 [0,1,0,1,0,0|2,0,0]=4 16863 B13R1.725 CSCCNC(=O)N1CCC[C@@H]1C 2708a_100020590264_100020605311 [0,1,0,1,0,0|2,0,0]=4 16864 B13R1.725 CSCCNC(=O)N1CCC[C@@H]1C 273464a_100020590264_100020605311 [0,1,0,1,0,0|2,0,0]=4 16865 B13R1.725 CSCCNC(=O)N1CCC[C@H]1C 2708a_100020590264_100015189458 [0,1,0,1,0,0|2,0,0]=4 16866 B13R1.725 CSCCNC(=O)N1CCC[C@H]1C 273464a_100020590264_100015189458 [0,1,0,1,0,0|2,0,0]=4 16867 B13R1.725 CSCCNC(=O)[C@@H]1CCCN1C 11a_100020590264_100009816429 [0,1,0,1,0,0|2,0,0]=4 16868 B13R1.725 CSCCNC(=O)[C@@H]1CCCN1C 240690a_100020590264_100009816429 [0,1,0,1,0,0|2,0,0]=4 16869 B13R1.725 CSCCNC(=O)[C@@H]1CCCN1C 527a_100020590264_100009816429 [0,1,0,1,0,0|2,0,0]=4 16870 B13R1.725 C[C@@H]1CCCN1C(=O)NCCCF 2708a_100015189416_100015189458 [0,1,0,1,0,0|2,0,0]=4 16871 B13R1.725 C[C@@H]1CCCN1C(=O)NCCCF 273464a_100015189416_100015189458 [0,1,0,1,0,0|2,0,0]=4 16872 B13R1.725 C[C@@H]1CCCN1C(=O)NCCCO 273464a_100000182051_100015189458 [0,1,0,1,0,0|2,0,0]=4 16873 B13R1.725 C[C@H]1CCCN1C(=O)NCCCF 2708a_100015189416_100020605311 [0,1,0,1,0,0|2,0,0]=4 16874 B13R1.725 C[C@H]1CCCN1C(=O)NCCCF 273464a_100015189416_100020605311 [0,1,0,1,0,0|2,0,0]=4 16875 B13R1.725 C[C@H]1CCCN1C(=O)NCCCO 273464a_100000182051_100020605311 [0,1,0,1,0,0|2,0,0]=4 16876 B13R1.728 CCCC#CC(=O)NCC1CCC1 240690a_100000738700_200011218047 [0,1,0,1,0,0|1,0,1]=4 16877 B13R1.728 CCCC=CC(=O)NCC1CCC1 11a_100000738700_100000212230 [0,1,0,1,0,0|1,0,1]=4 16878 B13R1.728 CCCC=CC(=O)NCC1CCC1 1626a_100000738700_100000212230 [0,1,0,1,0,0|1,0,1]=4 16879 B13R1.728 CCCC=CC(=O)NCC1CCC1 240690a_100000738700_100000212230 [0,1,0,1,0,0|1,0,1]=4 16880 B13R1.728 CCCCCC(=NNC1CCC1)C 4a_100000736358_100000211708 [0,1,0,1,0,0|2,0,0]=4 16881 B13R1.728 CCCCCC(=O)CNC1CCC1 2230a_100000749019_200012276598 [0,1,0,1,0,0|1,0,0]=3 16882 B13R1.728 CCCCCC(=O)CNC1CCC1 34a_100000749019_200012276598 [0,1,0,1,0,0|1,0,0]=3 16883 B13R1.728 CCCCCC(=O)CNC1COC1 2230a_100016991112_200012276598 [0,1,0,1,0,0|2,0,0]=4 16884 B13R1.728 CCCCCC(=O)COC1CCC1 34a_100000748187_200012276598 [0,1,0,1,0,0|0,0,0]=2 16885 B13R1.728 CCCCCC(=O)COC1CSC1 7a_100000072292_200012276598 [0,1,0,1,0,0|1,0,0]=3 16886 B13R1.728 CCCCCC(=O)CSC1CCC1 62a_200012276598_100000749161 [0,1,0,1,0,0|0,1,0]=3 16887 B13R1.728 CCCCCC(=O)CSC1COC1 62a_200012276598_100009818527 [0,1,0,1,0,0|1,1,0]=4 16888 B13R1.728 CCCCCC(=O)NCC1CCC1 11a_100000738700_100000212188 [0,1,0,1,0,0|1,0,0]=3 16889 B13R1.728 CCCCCC(=O)NCC1CCC1 1626a_100000738700_100000212188 [0,1,0,1,0,0|1,0,0]=3 16890 B13R1.728 CCCCCC(=O)NCC1CCC1 240690a_100000738700_100000212188 [0,1,0,1,0,0|1,0,0]=3 16891 B13R1.728 CCCCCC(=O)NCC1CCC1 527a_100000738700_100000212188 [0,1,0,1,0,0|1,0,0]=3 16892 B13R1.728 CCCCCC(=O)NCC1COC1 11a_100015281925_100000212188 [0,1,0,1,0,0|1,0,0]=3 16893 B13R1.728 CCCCCC(=O)NCC1COC1 1626a_100015281925_100000212188 [0,1,0,1,0,0|1,0,0]=3 16894 B13R1.728 CCCCCC(=O)NCC1COC1 240690a_100015281925_100000212188 [0,1,0,1,0,0|1,0,0]=3 16895 B13R1.728 CCCCCC(=O)NCC1COC1 527a_100015281925_100000212188 [0,1,0,1,0,0|1,0,0]=3 16896 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000212188 [0,1,0,1,0,0|1,0,0]=3 16897 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000212188 [0,1,0,1,0,0|1,0,0]=3 16898 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000212188 [0,1,0,1,0,0|1,0,0]=3 16899 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000212188 [0,1,0,1,0,0|1,0,0]=3 16900 B13R1.728 CCCCCC(=O)NN=C1CCC1 4a_100000189784_100000241760 [0,1,0,1,0,0|1,0,1]=4 16901 B13R1.728 CCCCCC(=O)NNC1CCC1 22a_100000736358_100000212188 [0,1,0,1,0,0|1,0,0]=3 16902 B13R1.728 CCCCCC(=O)NNC1COC1 22a_100015188821_100000212188 [0,1,0,1,0,0|2,0,0]=4 16903 B13R1.728 CCCCCC(C)OCC1CCC1 34a_100000760304_200011218191 [0,1,0,1,0,0|1,0,1]=4 16904 B13R1.728 CCCCCC(C)OCC1CCC1 34a_100011215632_100000763275 [0,1,0,1,0,0|1,0,1]=4 16905 B13R1.728 CCCCCC(C)OCC1CCC1 7a_100011215632_100000763275 [0,1,0,1,0,0|1,0,1]=4 16906 B13R1.728 CCCCCC(C)OCC1CCO1 34a_100000039022_200011218191 [0,1,0,1,0,0|1,0,1]=4 16907 B13R1.728 CCCCCC(C)OCC1CCO1 34a_100011215632_100000103362 [0,1,0,1,0,0|1,0,1]=4 16908 B13R1.728 CCCCCC(C)OCC1CCO1 7a_100011215632_100000103362 [0,1,0,1,0,0|1,0,1]=4 16909 B13R1.728 CCCCCC(C)OCC1CNC1 34a_100016987283_200011218191 [0,1,0,1,0,0|1,0,1]=4 16910 B13R1.728 CCCCCC(C)OCC1COC1 34a_100000060846_200011218191 [0,1,0,1,0,0|1,0,1]=4 16911 B13R1.728 CCCCCC(C)OCC1COC1 34a_100011215632_100010264016 [0,1,0,1,0,0|1,0,1]=4 16912 B13R1.728 CCCCCC(C)OCC1COC1 7a_100011215632_100010264016 [0,1,0,1,0,0|1,0,1]=4 16913 B13R1.728 CCCCNC(=O)CNC1CCC1 2230a_100000749019_100000182744 [0,1,0,1,0,0|1,0,0]=3 16914 B13R1.728 CCCCNC(=O)CNC1CCC1 34a_100000749019_100000182744 [0,1,0,1,0,0|1,0,0]=3 16915 B13R1.728 CCCCNC(=O)CNC1COC1 2230a_100016991112_100000182744 [0,1,0,1,0,0|2,0,0]=4 16916 B13R1.728 CCCCNC(=O)COC1CCC1 34a_100000748187_100000182744 [0,1,0,1,0,0|1,0,0]=3 16917 B13R1.728 CCCCNC(=O)COC1CSC1 7a_100000072292_100000182744 [0,1,0,1,0,0|2,0,0]=4 16918 B13R1.728 CCCCNC(=O)CSC1CCC1 62a_100000182744_100000749161 [0,1,0,1,0,0|1,0,0]=3 16919 B13R1.728 CCCCNC(=O)CSC1COC1 62a_100000182744_100009818527 [0,1,0,1,0,0|2,0,0]=4 16920 B13R1.728 CCCCNC(=O)NCC1CCC1 2708a_100000102301_100000738700 [0,1,0,1,0,0|1,0,0]=3 16921 B13R1.728 CCCCNC(=O)NCC1CCC1 2708a_100000738700_100000102301 [0,1,0,1,0,0|1,0,0]=3 16922 B13R1.728 CCCCNC(=O)NCC1CCC1 273464a_100000102301_100000738700 [0,1,0,1,0,0|1,0,0]=3 16923 B13R1.728 CCCCNC(=O)NCC1CCC1 273464a_100000738700_100000102301 [0,1,0,1,0,0|1,0,0]=3 16924 B13R1.728 CCCCNC(=O)NCC1CCC1 512a_100000102301_100000738700 [0,1,0,1,0,0|1,0,0]=3 16925 B13R1.728 CCCCNC(=O)NCC1CCC1 512a_100000738700_100000102301 [0,1,0,1,0,0|1,0,0]=3 16926 B13R1.728 CCCCNC(=O)NCC1COC1 2708a_100000102301_100015281925 [0,1,0,1,0,0|2,0,0]=4 16927 B13R1.728 CCCCNC(=O)NCC1COC1 2708a_100015281925_100000102301 [0,1,0,1,0,0|2,0,0]=4 16928 B13R1.728 CCCCNC(=O)NCC1COC1 273464a_100000102301_100015281925 [0,1,0,1,0,0|2,0,0]=4 16929 B13R1.728 CCCCNC(=O)NCC1COC1 273464a_100015281925_100000102301 [0,1,0,1,0,0|2,0,0]=4 16930 B13R1.728 CCCCNC(=O)NCC1COC1 512a_100000102301_100015281925 [0,1,0,1,0,0|2,0,0]=4 16931 B13R1.728 CCCCNC(=O)NCC1COC1 512a_100015281925_100000102301 [0,1,0,1,0,0|2,0,0]=4 16932 B13R1.728 CCCCNC(=O)NC[C@@H]1CCO1 2708a_100000102301_100020831831 [0,1,0,1,0,0|2,0,0]=4 16933 B13R1.728 CCCCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100000102301 [0,1,0,1,0,0|2,0,0]=4 16934 B13R1.728 CCCCNC(=O)NC[C@@H]1CCO1 273464a_100000102301_100020831831 [0,1,0,1,0,0|2,0,0]=4 16935 B13R1.728 CCCCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100000102301 [0,1,0,1,0,0|2,0,0]=4 16936 B13R1.728 CCCCNC(=O)NC[C@@H]1CCO1 512a_100000102301_100020831831 [0,1,0,1,0,0|2,0,0]=4 16937 B13R1.728 CCCCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100000102301 [0,1,0,1,0,0|2,0,0]=4 16938 B13R1.728 CCCCNC(=O)NNC1CCC1 273464a_100000102301_100000736358 [0,1,0,1,0,0|2,0,0]=4 16939 B13R1.728 CCCCNC(=O)NNC1CCC1 512a_100000102301_100000736358 [0,1,0,1,0,0|2,0,0]=4 16940 B13R1.728 CCCCNC(=O)NNC1CCC1 512a_100000736358_100000102301 [0,1,0,1,0,0|2,0,0]=4 16941 B13R1.728 CCCCOC(=O)CNC1CCC1 2230a_100000749019_100000211628 [0,1,0,1,0,0|0,0,0]=2 16942 B13R1.728 CCCCOC(=O)CNC1CCC1 34a_100000749019_100000211628 [0,1,0,1,0,0|0,0,0]=2 16943 B13R1.728 CCCCOC(=O)CNC1COC1 2230a_100016991112_100000211628 [0,1,0,1,0,0|1,0,0]=3 16944 B13R1.728 CCCCOC(=O)COC1CCC1 34a_100000748187_100000211628 [0,1,0,1,0,0|0,0,0]=2 16945 B13R1.728 CCCCOC(=O)COC1CSC1 7a_100000072292_100000211628 [0,1,0,1,0,0|1,0,0]=3 16946 B13R1.728 CCCCOC(=O)CSC1CCC1 62a_100000211628_100000749161 [0,1,0,1,0,0|0,0,0]=2 16947 B13R1.728 CCCCOC(=O)CSC1COC1 62a_100000211628_100009818527 [0,1,0,1,0,0|1,0,0]=3 16948 B13R1.728 CCCNNC(=O)NCC1CCC1 273464a_100000738700_100000740057 [0,1,0,1,0,0|2,0,0]=4 16949 B13R1.728 CCCNNC(=O)NCC1CCC1 512a_100000738700_100000740057 [0,1,0,1,0,0|2,0,0]=4 16950 B13R1.728 CCCNNC(=O)NCC1CCC1 512a_100000740057_100000738700 [0,1,0,1,0,0|2,0,0]=4 16951 B13R1.728 CCCOCC(=O)NCC1CCC1 11a_100000738700_100000745993 [0,1,0,1,0,0|2,0,0]=4 16952 B13R1.728 CCCOCC(=O)NCC1CCC1 1626a_100000738700_100000745993 [0,1,0,1,0,0|2,0,0]=4 16953 B13R1.728 CCCOCC(=O)NCC1CCC1 240690a_100000738700_100000745993 [0,1,0,1,0,0|2,0,0]=4 16954 B13R1.728 CCCOCC(=O)NCC1CCC1 527a_100000738700_100000745993 [0,1,0,1,0,0|2,0,0]=4 16955 B13R1.728 CCCOCC(=O)NCC1COC1 11a_100015281925_100000745993 [0,1,0,1,0,0|2,0,0]=4 16956 B13R1.728 CCCOCC(=O)NCC1COC1 1626a_100015281925_100000745993 [0,1,0,1,0,0|2,0,0]=4 16957 B13R1.728 CCCOCC(=O)NCC1COC1 240690a_100015281925_100000745993 [0,1,0,1,0,0|2,0,0]=4 16958 B13R1.728 CCCOCC(=O)NCC1COC1 527a_100015281925_100000745993 [0,1,0,1,0,0|2,0,0]=4 16959 B13R1.728 CCCOCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000745993 [0,1,0,1,0,0|2,0,0]=4 16960 B13R1.728 CCCOCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000745993 [0,1,0,1,0,0|2,0,0]=4 16961 B13R1.728 CCCOCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000745993 [0,1,0,1,0,0|2,0,0]=4 16962 B13R1.728 CCCOCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000745993 [0,1,0,1,0,0|2,0,0]=4 16963 B13R1.728 CCCOCC(=O)NNC1CCC1 22a_100000736358_100000745993 [0,1,0,1,0,0|2,0,0]=4 16964 B13R1.728 CCCSCC(=O)NCC1CCC1 11a_100000738700_100000217233 [0,1,0,1,0,0|2,0,0]=4 16965 B13R1.728 CCCSCC(=O)NCC1CCC1 1626a_100000738700_100000217233 [0,1,0,1,0,0|2,0,0]=4 16966 B13R1.728 CCCSCC(=O)NCC1CCC1 240690a_100000738700_100000217233 [0,1,0,1,0,0|2,0,0]=4 16967 B13R1.728 CCCSCC(=O)NCC1CCC1 527a_100000738700_100000217233 [0,1,0,1,0,0|2,0,0]=4 16968 B13R1.728 CCCSCC(=O)NCC1COC1 11a_100015281925_100000217233 [0,1,0,1,0,0|2,0,0]=4 16969 B13R1.728 CCCSCC(=O)NCC1COC1 1626a_100015281925_100000217233 [0,1,0,1,0,0|2,0,0]=4 16970 B13R1.728 CCCSCC(=O)NCC1COC1 240690a_100015281925_100000217233 [0,1,0,1,0,0|2,0,0]=4 16971 B13R1.728 CCCSCC(=O)NCC1COC1 527a_100015281925_100000217233 [0,1,0,1,0,0|2,0,0]=4 16972 B13R1.728 CCCSCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000217233 [0,1,0,1,0,0|2,0,0]=4 16973 B13R1.728 CCCSCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000217233 [0,1,0,1,0,0|2,0,0]=4 16974 B13R1.728 CCCSCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000217233 [0,1,0,1,0,0|2,0,0]=4 16975 B13R1.728 CCCSCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000217233 [0,1,0,1,0,0|2,0,0]=4 16976 B13R1.728 CCCSCC(=O)NNC1CCC1 22a_100000736358_100000217233 [0,1,0,1,0,0|2,0,0]=4 16977 B13R1.728 CCOCCC(=O)NCC1CCC1 11a_100000738700_100000749530 [0,1,0,1,0,0|2,0,0]=4 16978 B13R1.728 CCOCCC(=O)NCC1CCC1 1626a_100000738700_100000749530 [0,1,0,1,0,0|2,0,0]=4 16979 B13R1.728 CCOCCC(=O)NCC1CCC1 240690a_100000738700_100000749530 [0,1,0,1,0,0|2,0,0]=4 16980 B13R1.728 CCOCCC(=O)NCC1CCC1 527a_100000738700_100000749530 [0,1,0,1,0,0|2,0,0]=4 16981 B13R1.728 CCOCCC(=O)NCC1COC1 11a_100015281925_100000749530 [0,1,0,1,0,0|2,0,0]=4 16982 B13R1.728 CCOCCC(=O)NCC1COC1 1626a_100015281925_100000749530 [0,1,0,1,0,0|2,0,0]=4 16983 B13R1.728 CCOCCC(=O)NCC1COC1 240690a_100015281925_100000749530 [0,1,0,1,0,0|2,0,0]=4 16984 B13R1.728 CCOCCC(=O)NCC1COC1 527a_100015281925_100000749530 [0,1,0,1,0,0|2,0,0]=4 16985 B13R1.728 CCOCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000749530 [0,1,0,1,0,0|2,0,0]=4 16986 B13R1.728 CCOCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000749530 [0,1,0,1,0,0|2,0,0]=4 16987 B13R1.728 CCOCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000749530 [0,1,0,1,0,0|2,0,0]=4 16988 B13R1.728 CCOCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000749530 [0,1,0,1,0,0|2,0,0]=4 16989 B13R1.728 CCOCCC(=O)NNC1CCC1 22a_100000736358_100000749530 [0,1,0,1,0,0|2,0,0]=4 16990 B13R1.728 CCSCCC(=O)NCC1CCC1 11a_100000738700_100000230768 [0,1,0,1,0,0|2,0,0]=4 16991 B13R1.728 CCSCCC(=O)NCC1CCC1 1626a_100000738700_100000230768 [0,1,0,1,0,0|2,0,0]=4 16992 B13R1.728 CCSCCC(=O)NCC1CCC1 240690a_100000738700_100000230768 [0,1,0,1,0,0|2,0,0]=4 16993 B13R1.728 CCSCCC(=O)NCC1CCC1 527a_100000738700_100000230768 [0,1,0,1,0,0|2,0,0]=4 16994 B13R1.728 CCSCCC(=O)NCC1COC1 11a_100015281925_100000230768 [0,1,0,1,0,0|2,0,0]=4 16995 B13R1.728 CCSCCC(=O)NCC1COC1 1626a_100015281925_100000230768 [0,1,0,1,0,0|2,0,0]=4 16996 B13R1.728 CCSCCC(=O)NCC1COC1 240690a_100015281925_100000230768 [0,1,0,1,0,0|2,0,0]=4 16997 B13R1.728 CCSCCC(=O)NCC1COC1 527a_100015281925_100000230768 [0,1,0,1,0,0|2,0,0]=4 16998 B13R1.728 CCSCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000230768 [0,1,0,1,0,0|2,0,0]=4 16999 B13R1.728 CCSCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000230768 [0,1,0,1,0,0|2,0,0]=4 17000 B13R1.728 CCSCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000230768 [0,1,0,1,0,0|2,0,0]=4 17001 B13R1.728 CCSCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000230768 [0,1,0,1,0,0|2,0,0]=4 17002 B13R1.728 CCSCCC(=O)NNC1CCC1 22a_100000736358_100000230768 [0,1,0,1,0,0|2,0,0]=4 17003 B13R1.728 COCCCC(=O)NCC1CCC1 11a_100000738700_100000741012 [0,1,0,1,0,0|2,0,0]=4 17004 B13R1.728 COCCCC(=O)NCC1CCC1 1626a_100000738700_100000741012 [0,1,0,1,0,0|2,0,0]=4 17005 B13R1.728 COCCCC(=O)NCC1CCC1 240690a_100000738700_100000741012 [0,1,0,1,0,0|2,0,0]=4 17006 B13R1.728 COCCCC(=O)NCC1CCC1 527a_100000738700_100000741012 [0,1,0,1,0,0|2,0,0]=4 17007 B13R1.728 COCCCC(=O)NCC1COC1 11a_100015281925_100000741012 [0,1,0,1,0,0|2,0,0]=4 17008 B13R1.728 COCCCC(=O)NCC1COC1 1626a_100015281925_100000741012 [0,1,0,1,0,0|2,0,0]=4 17009 B13R1.728 COCCCC(=O)NCC1COC1 240690a_100015281925_100000741012 [0,1,0,1,0,0|2,0,0]=4 17010 B13R1.728 COCCCC(=O)NCC1COC1 527a_100015281925_100000741012 [0,1,0,1,0,0|2,0,0]=4 17011 B13R1.728 COCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000741012 [0,1,0,1,0,0|2,0,0]=4 17012 B13R1.728 COCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000741012 [0,1,0,1,0,0|2,0,0]=4 17013 B13R1.728 COCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000741012 [0,1,0,1,0,0|2,0,0]=4 17014 B13R1.728 COCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000741012 [0,1,0,1,0,0|2,0,0]=4 17015 B13R1.728 COCCCC(=O)NNC1CCC1 22a_100000736358_100000741012 [0,1,0,1,0,0|2,0,0]=4 17016 B13R1.728 COCCNC(=O)CNC1CCC1 2230a_100000749019_100000183275 [0,1,0,1,0,0|2,0,0]=4 17017 B13R1.728 COCCNC(=O)CNC1CCC1 34a_100000749019_100000183275 [0,1,0,1,0,0|2,0,0]=4 17018 B13R1.728 COCCNC(=O)COC1CCC1 34a_100000748187_100000183275 [0,1,0,1,0,0|2,0,0]=4 17019 B13R1.728 COCCNC(=O)CSC1CCC1 62a_100000183275_100000749161 [0,1,0,1,0,0|2,0,0]=4 17020 B13R1.728 COCCNC(=O)NCC1CCC1 2708a_100000738700_100000209980 [0,1,0,1,0,0|2,0,0]=4 17021 B13R1.728 COCCNC(=O)NCC1CCC1 273464a_100000209980_100000738700 [0,1,0,1,0,0|2,0,0]=4 17022 B13R1.728 COCCNC(=O)NCC1CCC1 273464a_100000738700_100000209980 [0,1,0,1,0,0|2,0,0]=4 17023 B13R1.728 COCCOC(=O)CNC1CCC1 2230a_100000749019_200000040189 [0,1,0,1,0,0|1,0,0]=3 17024 B13R1.728 COCCOC(=O)CNC1CCC1 34a_100000749019_200000040189 [0,1,0,1,0,0|1,0,0]=3 17025 B13R1.728 COCCOC(=O)CNC1COC1 2230a_100016991112_200000040189 [0,1,0,1,0,0|2,0,0]=4 17026 B13R1.728 COCCOC(=O)COC1CCC1 34a_100000748187_200000040189 [0,1,0,1,0,0|1,0,0]=3 17027 B13R1.728 COCCOC(=O)COC1CSC1 7a_100000072292_200000040189 [0,1,0,1,0,0|2,0,0]=4 17028 B13R1.728 COCCOC(=O)CSC1CCC1 62a_200000040189_100000749161 [0,1,0,1,0,0|1,0,0]=3 17029 B13R1.728 COCCOC(=O)CSC1COC1 62a_200000040189_100009818527 [0,1,0,1,0,0|2,0,0]=4 17030 B13R1.728 CSCCCC(=O)NCC1CCC1 11a_100000738700_100000173376 [0,1,0,1,0,0|2,0,0]=4 17031 B13R1.728 CSCCCC(=O)NCC1CCC1 1626a_100000738700_100000173376 [0,1,0,1,0,0|2,0,0]=4 17032 B13R1.728 CSCCCC(=O)NCC1CCC1 240690a_100000738700_100000173376 [0,1,0,1,0,0|2,0,0]=4 17033 B13R1.728 CSCCCC(=O)NCC1CCC1 527a_100000738700_100000173376 [0,1,0,1,0,0|2,0,0]=4 17034 B13R1.728 CSCCCC(=O)NCC1COC1 11a_100015281925_100000173376 [0,1,0,1,0,0|2,0,0]=4 17035 B13R1.728 CSCCCC(=O)NCC1COC1 1626a_100015281925_100000173376 [0,1,0,1,0,0|2,0,0]=4 17036 B13R1.728 CSCCCC(=O)NCC1COC1 240690a_100015281925_100000173376 [0,1,0,1,0,0|2,0,0]=4 17037 B13R1.728 CSCCCC(=O)NCC1COC1 527a_100015281925_100000173376 [0,1,0,1,0,0|2,0,0]=4 17038 B13R1.728 CSCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000173376 [0,1,0,1,0,0|2,0,0]=4 17039 B13R1.728 CSCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000173376 [0,1,0,1,0,0|2,0,0]=4 17040 B13R1.728 CSCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000173376 [0,1,0,1,0,0|2,0,0]=4 17041 B13R1.728 CSCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000173376 [0,1,0,1,0,0|2,0,0]=4 17042 B13R1.728 CSCCCC(=O)NNC1CCC1 22a_100000736358_100000173376 [0,1,0,1,0,0|2,0,0]=4 17043 B13R1.728 CSCCNC(=O)NCC1CCC1 2708a_100000738700_100020590264 [0,1,0,1,0,0|2,0,0]=4 17044 B13R1.728 CSCCNC(=O)NCC1CCC1 2708a_100020590264_100000738700 [0,1,0,1,0,0|2,0,0]=4 17045 B13R1.728 CSCCNC(=O)NCC1CCC1 273464a_100000738700_100020590264 [0,1,0,1,0,0|2,0,0]=4 17046 B13R1.728 CSCCNC(=O)NCC1CCC1 273464a_100020590264_100000738700 [0,1,0,1,0,0|2,0,0]=4 17047 B13R1.728 CSCCNC(=O)NCC1CCC1 512a_100000738700_100020590264 [0,1,0,1,0,0|2,0,0]=4 17048 B13R1.728 CSCCNC(=O)NCC1CCC1 512a_100020590264_100000738700 [0,1,0,1,0,0|2,0,0]=4 17049 B13R1.728 O=C(CCCCO)NCC1CCC1 1626a_100000738700_100000695505 [0,1,0,1,0,0|2,0,0]=4 17050 B13R1.728 O=C(CCCCO)NCC1COC1 1626a_100015281925_100000695505 [0,1,0,1,0,0|2,0,0]=4 17051 B13R1.728 O=C(CCCCO)NC[C@@H]1CCO1 1626a_100020831831_100000695505 [0,1,0,1,0,0|2,0,0]=4 17052 B13R1.728 O=C(NCCCF)NCC1CCC1 2708a_100000738700_100015189416 [0,1,0,1,0,0|2,0,0]=4 17053 B13R1.728 O=C(NCCCF)NCC1CCC1 2708a_100015189416_100000738700 [0,1,0,1,0,0|2,0,0]=4 17054 B13R1.728 O=C(NCCCF)NCC1CCC1 273464a_100000738700_100015189416 [0,1,0,1,0,0|2,0,0]=4 17055 B13R1.728 O=C(NCCCF)NCC1CCC1 273464a_100015189416_100000738700 [0,1,0,1,0,0|2,0,0]=4 17056 B13R1.728 O=C(NCCCF)NCC1CCC1 512a_100000738700_100015189416 [0,1,0,1,0,0|2,0,0]=4 17057 B13R1.728 O=C(NCCCF)NCC1CCC1 512a_100015189416_100000738700 [0,1,0,1,0,0|2,0,0]=4 17058 B13R1.728 O=C(NCCCO)NCC1CCC1 2708a_100000738700_100000182051 [0,1,0,1,0,0|2,0,0]=4 17059 B13R1.728 O=C(NCCCO)NCC1CCC1 273464a_100000182051_100000738700 [0,1,0,1,0,0|2,0,0]=4 17060 B13R1.728 O=C(NCCCO)NCC1CCC1 273464a_100000738700_100000182051 [0,1,0,1,0,0|2,0,0]=4 17061 B13R1.728 O=C(NCCCO)NCC1CCC1 512a_100000738700_100000182051 [0,1,0,1,0,0|2,0,0]=4 17062 B13R1.729 CCCC#CC(=O)CCCC1CO1 1458a_200011218047_100000733510 [0,1,0,1,0,0|1,0,1]=4 17063 B13R1.729 CCCC#CC(=O)NCCC1CC1 240690a_100000764129_200011218047 [0,1,0,1,0,0|1,0,1]=4 17064 B13R1.729 CCCC=CC(=O)CCCC1CO1 1458a_100000212230_100000733510 [0,1,0,1,0,0|1,0,1]=4 17065 B13R1.729 CCCC=CC(=O)NCCC1CC1 1626a_100000764129_100000212230 [0,1,0,1,0,0|1,0,1]=4 17066 B13R1.729 CCCC=CC(=O)NCCC1CC1 240690a_100000764129_100000212230 [0,1,0,1,0,0|1,0,1]=4 17067 B13R1.729 CCCCCC(=NNCC1CC1)C 4a_100000736359_100000211708 [0,1,0,1,0,0|2,0,0]=4 17068 B13R1.729 CCCCCC(=O)CC#CC1CC1 1458a_100000212188_100009895102 [0,1,0,1,0,0|1,0,1]=4 17069 B13R1.729 CCCCCC(=O)CCCC1CO1 1458a_100000212188_100000733510 [0,1,0,1,0,0|1,0,0]=3 17070 B13R1.729 CCCCCC(=O)CNCC1CC1 2230a_100000735609_200012276598 [0,1,0,1,0,0|1,0,0]=3 17071 B13R1.729 CCCCCC(=O)CNCC1CC1 34a_100000735609_200012276598 [0,1,0,1,0,0|1,0,0]=3 17072 B13R1.729 CCCCCC(=O)COCC1CC1 34a_100000211283_200012276598 [0,1,0,1,0,0|0,0,0]=2 17073 B13R1.729 CCCCCC(=O)COC[C@@H]1CO1 34a_100000757423_200012276598 [0,1,0,1,0,0|1,0,0]=3 17074 B13R1.729 CCCCCC(=O)CSCC1CC1 1458a_200011316215_100000210326 [0,1,0,1,0,0|0,1,0]=3 17075 B13R1.729 CCCCCC(=O)CSCC1CC1 62a_100000756562_200012276598 [0,1,0,1,0,0|0,1,0]=3 17076 B13R1.729 CCCCCC(=O)CSCC1CC1 62a_200012276598_100000742324 [0,1,0,1,0,0|0,1,0]=3 17077 B13R1.729 CCCCCC(=O)CSCC1CO1 62a_102125554688_200012276598 [0,1,0,1,0,0|1,1,0]=4 17078 B13R1.729 CCCCCC(=O)CSCC1CO1 62a_200012276598_102125554688 [0,1,0,1,0,0|1,1,0]=4 17079 B13R1.729 CCCCCC(=O)CSCC1CS1 62a_100000031435_200012276598 [0,1,0,1,0,0|1,1,0]=4 17080 B13R1.729 CCCCCC(=O)CSCC1CS1 62a_200012276598_100000031435 [0,1,0,1,0,0|1,1,0]=4 17081 B13R1.729 CCCCCC(=O)CSC[C@@H]1CO1 62a_100000745022_200012276598 [0,1,0,1,0,0|1,1,0]=4 17082 B13R1.729 CCCCCC(=O)CSC[C@@H]1CO1 62a_200012276598_100000745022 [0,1,0,1,0,0|1,1,0]=4 17083 B13R1.729 CCCCCC(=O)NCCC1CC1 1626a_100000764129_100000212188 [0,1,0,1,0,0|1,0,0]=3 17084 B13R1.729 CCCCCC(=O)NCCC1CC1 240690a_100000764129_100000212188 [0,1,0,1,0,0|1,0,0]=3 17085 B13R1.729 CCCCCC(=O)NCCC1CC1 527a_100000764129_100000212188 [0,1,0,1,0,0|1,0,0]=3 17086 B13R1.729 CCCCCC(=O)NN=CC1CC1 4a_100000189784_100000741477 [0,1,0,1,0,0|1,0,1]=4 17087 B13R1.729 CCCCCC(=O)NNCC1CC1 22a_100000736359_100000212188 [0,1,0,1,0,0|1,0,0]=3 17088 B13R1.729 CCCCCC(C)OCCC1CC1 34a_100000754188_200011218191 [0,1,0,1,0,0|1,0,1]=4 17089 B13R1.729 CCCCCC(C)OCCC1CC1 34a_100011215632_100000694398 [0,1,0,1,0,0|1,0,1]=4 17090 B13R1.729 CCCCCC(C)OCCC1CC1 7a_100000754188_200011218191 [0,1,0,1,0,0|1,0,1]=4 17091 B13R1.729 CCCCCC(C)OCCC1CC1 7a_100011215632_100000764125 [0,1,0,1,0,0|1,0,1]=4 17092 B13R1.729 CCCCCC(C)OCCC1CO1 34a_100011215632_100000732470 [0,1,0,1,0,0|1,0,1]=4 17093 B13R1.729 CCCCCC(C)OCCC1CO1 7a_100011215632_100000732470 [0,1,0,1,0,0|1,0,1]=4 17094 B13R1.729 CCCCCC(C)OCC[C@@H]1CO1 34a_100009820653_200011218191 [0,1,0,1,0,0|1,0,1]=4 17095 B13R1.729 CCCCNC(=O)CNCC1CC1 2230a_100000735609_100000182744 [0,1,0,1,0,0|1,0,0]=3 17096 B13R1.729 CCCCNC(=O)CNCC1CC1 34a_100000735609_100000182744 [0,1,0,1,0,0|1,0,0]=3 17097 B13R1.729 CCCCNC(=O)COCC1CC1 34a_100000211283_100000182744 [0,1,0,1,0,0|1,0,0]=3 17098 B13R1.729 CCCCNC(=O)COC[C@@H]1CO1 34a_100000757423_100000182744 [0,1,0,1,0,0|2,0,0]=4 17099 B13R1.729 CCCCNC(=O)CSCC1CC1 11a_100000102301_200011316215 [0,1,0,1,0,0|1,0,0]=3 17100 B13R1.729 CCCCNC(=O)CSCC1CC1 1626a_100000102301_200011316215 [0,1,0,1,0,0|1,0,0]=3 17101 B13R1.729 CCCCNC(=O)CSCC1CC1 240690a_100000102301_200011316215 [0,1,0,1,0,0|1,0,0]=3 17102 B13R1.729 CCCCNC(=O)CSCC1CC1 527a_100000102301_200011316215 [0,1,0,1,0,0|1,0,0]=3 17103 B13R1.729 CCCCNC(=O)CSCC1CC1 62a_100000182744_100000742324 [0,1,0,1,0,0|1,0,0]=3 17104 B13R1.729 CCCCNC(=O)CSCC1CC1 62a_100000756562_100000182744 [0,1,0,1,0,0|1,0,0]=3 17105 B13R1.729 CCCCNC(=O)CSCC1CO1 62a_100000182744_102125554688 [0,1,0,1,0,0|2,0,0]=4 17106 B13R1.729 CCCCNC(=O)CSCC1CO1 62a_102125554688_100000182744 [0,1,0,1,0,0|2,0,0]=4 17107 B13R1.729 CCCCNC(=O)CSCC1CS1 62a_100000031435_100000182744 [0,1,0,1,0,0|2,0,0]=4 17108 B13R1.729 CCCCNC(=O)CSCC1CS1 62a_100000182744_100000031435 [0,1,0,1,0,0|2,0,0]=4 17109 B13R1.729 CCCCNC(=O)CSC[C@@H]1CO1 62a_100000182744_100000745022 [0,1,0,1,0,0|2,0,0]=4 17110 B13R1.729 CCCCNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000182744 [0,1,0,1,0,0|2,0,0]=4 17111 B13R1.729 CCCCNC(=O)NCCC1CC1 2708a_100000102301_100000764129 [0,1,0,1,0,0|1,0,0]=3 17112 B13R1.729 CCCCNC(=O)NCCC1CC1 2708a_100000764129_100000102301 [0,1,0,1,0,0|1,0,0]=3 17113 B13R1.729 CCCCNC(=O)NCCC1CC1 273464a_100000102301_100000764129 [0,1,0,1,0,0|1,0,0]=3 17114 B13R1.729 CCCCNC(=O)NCCC1CC1 273464a_100000764129_100000102301 [0,1,0,1,0,0|1,0,0]=3 17115 B13R1.729 CCCCNC(=O)NCCC1CC1 512a_100000102301_100000764129 [0,1,0,1,0,0|1,0,0]=3 17116 B13R1.729 CCCCNC(=O)NCCC1CC1 512a_100000764129_100000102301 [0,1,0,1,0,0|1,0,0]=3 17117 B13R1.729 CCCCNC(=O)NNCC1CC1 273464a_100000102301_100000736359 [0,1,0,1,0,0|2,0,0]=4 17118 B13R1.729 CCCCNC(=O)NNCC1CC1 512a_100000102301_100000736359 [0,1,0,1,0,0|2,0,0]=4 17119 B13R1.729 CCCCNC(=O)NNCC1CC1 512a_100000736359_100000102301 [0,1,0,1,0,0|2,0,0]=4 17120 B13R1.729 CCCCOC(=O)CNCC1CC1 2230a_100000735609_100000211628 [0,1,0,1,0,0|0,0,0]=2 17121 B13R1.729 CCCCOC(=O)CNCC1CC1 34a_100000735609_100000211628 [0,1,0,1,0,0|0,0,0]=2 17122 B13R1.729 CCCCOC(=O)COCC1CC1 34a_100000211283_100000211628 [0,1,0,1,0,0|0,0,0]=2 17123 B13R1.729 CCCCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000211628 [0,1,0,1,0,0|1,0,0]=3 17124 B13R1.729 CCCCOC(=O)CSCC1CC1 62a_100000211628_100000742324 [0,1,0,1,0,0|0,0,0]=2 17125 B13R1.729 CCCCOC(=O)CSCC1CC1 62a_100000756562_100000211628 [0,1,0,1,0,0|0,0,0]=2 17126 B13R1.729 CCCCOC(=O)CSCC1CO1 62a_100000211628_102125554688 [0,1,0,1,0,0|1,0,0]=3 17127 B13R1.729 CCCCOC(=O)CSCC1CO1 62a_102125554688_100000211628 [0,1,0,1,0,0|1,0,0]=3 17128 B13R1.729 CCCCOC(=O)CSCC1CS1 62a_100000031435_100000211628 [0,1,0,1,0,0|1,0,0]=3 17129 B13R1.729 CCCCOC(=O)CSCC1CS1 62a_100000211628_100000031435 [0,1,0,1,0,0|1,0,0]=3 17130 B13R1.729 CCCCOC(=O)CSC[C@@H]1CO1 62a_100000211628_100000745022 [0,1,0,1,0,0|1,0,0]=3 17131 B13R1.729 CCCCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000211628 [0,1,0,1,0,0|1,0,0]=3 17132 B13R1.729 CCCNNC(=O)CSCC1CC1 22a_100000740057_200011316215 [0,1,0,1,0,0|2,0,0]=4 17133 B13R1.729 CCCNNC(=O)NCCC1CC1 273464a_100000764129_100000740057 [0,1,0,1,0,0|2,0,0]=4 17134 B13R1.729 CCCNNC(=O)NCCC1CC1 512a_100000740057_100000764129 [0,1,0,1,0,0|2,0,0]=4 17135 B13R1.729 CCCNNC(=O)NCCC1CC1 512a_100000764129_100000740057 [0,1,0,1,0,0|2,0,0]=4 17136 B13R1.729 CCCOCC(=O)CCCC1CO1 1458a_100000745993_100000733510 [0,1,0,1,0,0|2,0,0]=4 17137 B13R1.729 CCCOCC(=O)NCCC1CC1 1626a_100000764129_100000745993 [0,1,0,1,0,0|2,0,0]=4 17138 B13R1.729 CCCOCC(=O)NCCC1CC1 240690a_100000764129_100000745993 [0,1,0,1,0,0|2,0,0]=4 17139 B13R1.729 CCCOCC(=O)NCCC1CC1 527a_100000764129_100000745993 [0,1,0,1,0,0|2,0,0]=4 17140 B13R1.729 CCCOCC(=O)NNCC1CC1 22a_100000736359_100000745993 [0,1,0,1,0,0|2,0,0]=4 17141 B13R1.729 CCCSCC(=O)CCCC1CO1 1458a_100000217233_100000733510 [0,1,0,1,0,0|2,0,0]=4 17142 B13R1.729 CCCSCC(=O)NCCC1CC1 1626a_100000764129_100000217233 [0,1,0,1,0,0|2,0,0]=4 17143 B13R1.729 CCCSCC(=O)NCCC1CC1 240690a_100000764129_100000217233 [0,1,0,1,0,0|2,0,0]=4 17144 B13R1.729 CCCSCC(=O)NCCC1CC1 527a_100000764129_100000217233 [0,1,0,1,0,0|2,0,0]=4 17145 B13R1.729 CCCSCC(=O)NNCC1CC1 22a_100000736359_100000217233 [0,1,0,1,0,0|2,0,0]=4 17146 B13R1.729 CCOCCC(=O)CCCC1CO1 1458a_100000749530_100000733510 [0,1,0,1,0,0|2,0,0]=4 17147 B13R1.729 CCOCCC(=O)CSCC1CC1 1458a_200011316215_100011215890 [0,1,0,1,0,0|1,1,0]=4 17148 B13R1.729 CCOCCC(=O)NCCC1CC1 1626a_100000764129_100000749530 [0,1,0,1,0,0|2,0,0]=4 17149 B13R1.729 CCOCCC(=O)NCCC1CC1 240690a_100000764129_100000749530 [0,1,0,1,0,0|2,0,0]=4 17150 B13R1.729 CCOCCC(=O)NCCC1CC1 527a_100000764129_100000749530 [0,1,0,1,0,0|2,0,0]=4 17151 B13R1.729 CCOCCC(=O)NNCC1CC1 22a_100000736359_100000749530 [0,1,0,1,0,0|2,0,0]=4 17152 B13R1.729 CCSCCC(=O)CCCC1CO1 1458a_100000230768_100000733510 [0,1,0,1,0,0|2,0,0]=4 17153 B13R1.729 CCSCCC(=O)CSCC1CC1 1458a_200011316215_100000757381 [0,1,0,1,0,0|1,1,0]=4 17154 B13R1.729 CCSCCC(=O)NCCC1CC1 1626a_100000764129_100000230768 [0,1,0,1,0,0|2,0,0]=4 17155 B13R1.729 CCSCCC(=O)NCCC1CC1 240690a_100000764129_100000230768 [0,1,0,1,0,0|2,0,0]=4 17156 B13R1.729 CCSCCC(=O)NCCC1CC1 527a_100000764129_100000230768 [0,1,0,1,0,0|2,0,0]=4 17157 B13R1.729 CCSCCC(=O)NNCC1CC1 22a_100000736359_100000230768 [0,1,0,1,0,0|2,0,0]=4 17158 B13R1.729 COCCCC(=O)CCCC1CO1 1458a_100000741012_100000733510 [0,1,0,1,0,0|2,0,0]=4 17159 B13R1.729 COCCCC(=O)CSCC1CC1 1458a_200011316215_100000740836 [0,1,0,1,0,0|1,1,0]=4 17160 B13R1.729 COCCCC(=O)NCCC1CC1 1626a_100000764129_100000741012 [0,1,0,1,0,0|2,0,0]=4 17161 B13R1.729 COCCCC(=O)NCCC1CC1 240690a_100000764129_100000741012 [0,1,0,1,0,0|2,0,0]=4 17162 B13R1.729 COCCCC(=O)NCCC1CC1 527a_100000764129_100000741012 [0,1,0,1,0,0|2,0,0]=4 17163 B13R1.729 COCCCC(=O)NNCC1CC1 22a_100000736359_100000741012 [0,1,0,1,0,0|2,0,0]=4 17164 B13R1.729 COCCNC(=O)CNCC1CC1 2230a_100000735609_100000183275 [0,1,0,1,0,0|2,0,0]=4 17165 B13R1.729 COCCNC(=O)CNCC1CC1 2230a_100000754632_100000742324 [0,1,0,1,0,0|2,0,0]=4 17166 B13R1.729 COCCNC(=O)CNCC1CC1 34a_100000735609_100000183275 [0,1,0,1,0,0|2,0,0]=4 17167 B13R1.729 COCCNC(=O)COCC1CC1 34a_100000211283_100000183275 [0,1,0,1,0,0|2,0,0]=4 17168 B13R1.729 COCCNC(=O)CSCC1CC1 1626a_100000209980_200011316215 [0,1,0,1,0,0|2,0,0]=4 17169 B13R1.729 COCCNC(=O)CSCC1CC1 240690a_100000209980_200011316215 [0,1,0,1,0,0|2,0,0]=4 17170 B13R1.729 COCCNC(=O)CSCC1CC1 527a_100000209980_200011316215 [0,1,0,1,0,0|2,0,0]=4 17171 B13R1.729 COCCNC(=O)CSCC1CC1 62a_100000183275_100000742324 [0,1,0,1,0,0|2,0,0]=4 17172 B13R1.729 COCCNC(=O)CSCC1CC1 62a_100000756562_100000183275 [0,1,0,1,0,0|2,0,0]=4 17173 B13R1.729 COCCNC(=O)NCCC1CC1 2708a_100000764129_100000209980 [0,1,0,1,0,0|2,0,0]=4 17174 B13R1.729 COCCNC(=O)NCCC1CC1 273464a_100000209980_100000764129 [0,1,0,1,0,0|2,0,0]=4 17175 B13R1.729 COCCNC(=O)NCCC1CC1 273464a_100000764129_100000209980 [0,1,0,1,0,0|2,0,0]=4 17176 B13R1.729 COCCOC(=O)CNCC1CC1 2230a_100000735609_200000040189 [0,1,0,1,0,0|1,0,0]=3 17177 B13R1.729 COCCOC(=O)CNCC1CC1 34a_100000735609_200000040189 [0,1,0,1,0,0|1,0,0]=3 17178 B13R1.729 COCCOC(=O)COCC1CC1 34a_100000211283_200000040189 [0,1,0,1,0,0|1,0,0]=3 17179 B13R1.729 COCCOC(=O)COC[C@@H]1CO1 34a_100000757423_200000040189 [0,1,0,1,0,0|2,0,0]=4 17180 B13R1.729 COCCOC(=O)CSCC1CC1 62a_100000756562_200000040189 [0,1,0,1,0,0|1,0,0]=3 17181 B13R1.729 COCCOC(=O)CSCC1CC1 62a_200000040189_100000742324 [0,1,0,1,0,0|1,0,0]=3 17182 B13R1.729 COCCOC(=O)CSCC1CO1 62a_102125554688_200000040189 [0,1,0,1,0,0|2,0,0]=4 17183 B13R1.729 COCCOC(=O)CSCC1CO1 62a_200000040189_102125554688 [0,1,0,1,0,0|2,0,0]=4 17184 B13R1.729 COCCOC(=O)CSCC1CS1 62a_100000031435_200000040189 [0,1,0,1,0,0|2,0,0]=4 17185 B13R1.729 COCCOC(=O)CSCC1CS1 62a_200000040189_100000031435 [0,1,0,1,0,0|2,0,0]=4 17186 B13R1.729 COCCOC(=O)CSC[C@@H]1CO1 62a_100000745022_200000040189 [0,1,0,1,0,0|2,0,0]=4 17187 B13R1.729 COCCOC(=O)CSC[C@@H]1CO1 62a_200000040189_100000745022 [0,1,0,1,0,0|2,0,0]=4 17188 B13R1.729 CSCCCC(=O)CCCC1CO1 1458a_100000173376_100000733510 [0,1,0,1,0,0|2,0,0]=4 17189 B13R1.729 CSCCCC(=O)NCCC1CC1 1626a_100000764129_100000173376 [0,1,0,1,0,0|2,0,0]=4 17190 B13R1.729 CSCCCC(=O)NCCC1CC1 240690a_100000764129_100000173376 [0,1,0,1,0,0|2,0,0]=4 17191 B13R1.729 CSCCCC(=O)NCCC1CC1 527a_100000764129_100000173376 [0,1,0,1,0,0|2,0,0]=4 17192 B13R1.729 CSCCCC(=O)NNCC1CC1 22a_100000736359_100000173376 [0,1,0,1,0,0|2,0,0]=4 17193 B13R1.729 CSCCNC(=O)CSCC1CC1 11a_100020590264_200011316215 [0,1,0,1,0,0|2,0,0]=4 17194 B13R1.729 CSCCNC(=O)CSCC1CC1 1626a_100020590264_200011316215 [0,1,0,1,0,0|2,0,0]=4 17195 B13R1.729 CSCCNC(=O)CSCC1CC1 240690a_100020590264_200011316215 [0,1,0,1,0,0|2,0,0]=4 17196 B13R1.729 CSCCNC(=O)CSCC1CC1 527a_100020590264_200011316215 [0,1,0,1,0,0|2,0,0]=4 17197 B13R1.729 CSCCNC(=O)NCCC1CC1 2708a_100000764129_100020590264 [0,1,0,1,0,0|2,0,0]=4 17198 B13R1.729 CSCCNC(=O)NCCC1CC1 2708a_100020590264_100000764129 [0,1,0,1,0,0|2,0,0]=4 17199 B13R1.729 CSCCNC(=O)NCCC1CC1 273464a_100000764129_100020590264 [0,1,0,1,0,0|2,0,0]=4 17200 B13R1.729 CSCCNC(=O)NCCC1CC1 273464a_100020590264_100000764129 [0,1,0,1,0,0|2,0,0]=4 17201 B13R1.729 CSCCNC(=O)NCCC1CC1 512a_100000764129_100020590264 [0,1,0,1,0,0|2,0,0]=4 17202 B13R1.729 CSCCNC(=O)NCCC1CC1 512a_100020590264_100000764129 [0,1,0,1,0,0|2,0,0]=4 17203 B13R1.729 O=C(CCCCF)CSCC1CC1 1458a_200011316215_100000729493 [0,1,0,1,0,0|1,1,0]=4 17204 B13R1.729 O=C(CCCCO)CCCC1CO1 1458a_100000695505_100000733510 [0,1,0,1,0,0|2,0,0]=4 17205 B13R1.729 O=C(CCCCO)CSCC1CC1 1458a_200011316215_100000210776 [0,1,0,1,0,0|1,1,0]=4 17206 B13R1.729 O=C(CCCCO)NCCC1CC1 1626a_100000764129_100000695505 [0,1,0,1,0,0|2,0,0]=4 17207 B13R1.729 O=C(CSCC1CC1)NCCCF 11a_100015189416_200011316215 [0,1,0,1,0,0|2,0,0]=4 17208 B13R1.729 O=C(CSCC1CC1)NCCCF 1626a_100015189416_200011316215 [0,1,0,1,0,0|2,0,0]=4 17209 B13R1.729 O=C(CSCC1CC1)NCCCF 240690a_100015189416_200011316215 [0,1,0,1,0,0|2,0,0]=4 17210 B13R1.729 O=C(CSCC1CC1)NCCCF 527a_100015189416_200011316215 [0,1,0,1,0,0|2,0,0]=4 17211 B13R1.729 O=C(CSCC1CC1)NCCCO 240690a_100000182051_200011316215 [0,1,0,1,0,0|2,0,0]=4 17212 B13R1.729 O=C(CSCC1CC1)NCCCO 527a_100000182051_200011316215 [0,1,0,1,0,0|2,0,0]=4 17213 B13R1.729 O=C(NCCCF)NCCC1CC1 2708a_100000764129_100015189416 [0,1,0,1,0,0|2,0,0]=4 17214 B13R1.729 O=C(NCCCF)NCCC1CC1 2708a_100015189416_100000764129 [0,1,0,1,0,0|2,0,0]=4 17215 B13R1.729 O=C(NCCCF)NCCC1CC1 273464a_100000764129_100015189416 [0,1,0,1,0,0|2,0,0]=4 17216 B13R1.729 O=C(NCCCF)NCCC1CC1 273464a_100015189416_100000764129 [0,1,0,1,0,0|2,0,0]=4 17217 B13R1.729 O=C(NCCCF)NCCC1CC1 512a_100000764129_100015189416 [0,1,0,1,0,0|2,0,0]=4 17218 B13R1.729 O=C(NCCCF)NCCC1CC1 512a_100015189416_100000764129 [0,1,0,1,0,0|2,0,0]=4 17219 B13R1.729 O=C(NCCCO)NCCC1CC1 2708a_100000764129_100000182051 [0,1,0,1,0,0|2,0,0]=4 17220 B13R1.729 O=C(NCCCO)NCCC1CC1 273464a_100000182051_100000764129 [0,1,0,1,0,0|2,0,0]=4 17221 B13R1.729 O=C(NCCCO)NCCC1CC1 273464a_100000764129_100000182051 [0,1,0,1,0,0|2,0,0]=4 17222 B13R1.729 O=C(NCCCO)NCCC1CC1 512a_100000764129_100000182051 [0,1,0,1,0,0|2,0,0]=4 17223 B13R1.1150 CCCCOC1C=CCCCCC1 34a_100000688657_100000210210 [0,1,0,1,0,0|1,0,1]=4 17224 B13R1.1150 CCCCOC1CCCCCCC1 34a_100000210054_100000210210 [0,1,0,1,0,0|1,0,1]=4 17225 B13R1.1150 CCCCOC1CCCCCCC1 7a_100000210054_100000210211 [0,1,0,1,0,0|1,0,1]=4 17226 B13R1.1887 BrCCCCOC1CCCCCC1 34a_100011216708_100011217769 [0,1,0,1,0,0|1,0,1]=4 17227 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210253_100011217769 [0,1,0,1,0,0|1,0,1]=4 17228 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210887_100000718602 [0,1,0,1,0,0|1,0,1]=4 17229 B13R1.1887 CCCCCOC1CCCCCC1 7a_100000210887_100000210326 [0,1,0,1,0,0|1,0,1]=4 17230 B13R1.1887 CCCCNN=C1CCCCCC1 4a_100025702795_100000210131 [0,1,0,1,0,0|2,0,0]=4 17231 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000210227_200000696569 [0,1,0,1,0,0|1,0,1]=4 17232 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000699130_100000210210 [0,1,0,1,0,0|1,0,1]=4 17233 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000210227_200000696569 [0,1,0,1,0,0|1,0,1]=4 17234 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000699130_100000210211 [0,1,0,1,0,0|1,0,1]=4 17235 B13R1.1887 CCCCOCN1CCCCCC1 2230a_100000185865_100011995733 [0,1,0,1,0,0|2,0,0]=4 17236 B13R1.1887 CCCCOCN1CCCCCC1 269982a_100000185865_100011995733 [0,1,0,1,0,0|2,0,0]=4 17237 B13R1.1887 CCCCOCN1CCCCCC1 34a_100000185865_100011995733 [0,1,0,1,0,0|2,0,0]=4 17238 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210136_100011217769 [0,1,0,1,0,0|1,0,1]=4 17239 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210887_100000210147 [0,1,0,1,0,0|1,0,1]=4 17240 B13R1.1887 CCOCCOC1CCCCCC1 7a_100000210887_100011215890 [0,1,0,1,0,0|1,0,1]=4 17241 B13R1.1887 CCSCCOC1CCCCCC1 34a_100000210887_100000757381 [0,1,0,1,0,0|1,0,1]=4 17242 B13R1.1887 CCSCCOC1CCCCCC1 34a_100000212035_100011217769 [0,1,0,1,0,0|1,0,1]=4 17243 B13R1.1887 CCSCCOC1CCCCCC1 7a_100000210887_100000757381 [0,1,0,1,0,0|1,0,1]=4 17244 B13R1.1887 CNCCCOC1CCCCCC1 34a_100000213112_100011217769 [0,1,0,1,0,0|1,0,1]=4 17245 B13R1.1887 COCCCOC1CCCCCC1 34a_100000210887_100000740836 [0,1,0,1,0,0|1,0,1]=4 17246 B13R1.1887 COCCCOC1CCCCCC1 34a_100000740835_100011217769 [0,1,0,1,0,0|1,0,1]=4 17247 B13R1.1887 COCCCOC1CCCCCC1 7a_100000210887_100000740836 [0,1,0,1,0,0|1,0,1]=4 17248 B13R1.1887 CSCCCOC1CCCCCC1 34a_100000690336_100011217769 [0,1,0,1,0,0|1,0,1]=4 17249 B13R1.1887 ClCCCCOC1CCCCCC1 34a_100000210776_100011217769 [0,1,0,1,0,0|1,0,1]=4 17250 B13R1.1887 FCCCCOC1CCCCCC1 34a_100000210887_100000729493 [0,1,0,1,0,0|1,0,1]=4 17251 B13R1.1887 FCCCCOC1CCCCCC1 34a_100011995726_100011217769 [0,1,0,1,0,0|1,0,1]=4 17252 B13R1.1887 FCCCCOC1CCCCCC1 7a_100000210887_100000729493 [0,1,0,1,0,0|1,0,1]=4 17253 B13R1.1887 ICCCCOC1CCCCCC1 34a_200012148704_100011217769 [0,1,0,1,0,0|1,0,1]=4 17254 B13R1.1887 NCCCCOC1CCCCCC1 34a_100000750430_100011217769 [0,1,0,1,0,0|1,0,1]=4 17255 B13R1.1887 OCCCCOC1CCCCCC1 34a_100000210887_100011216708 [0,1,0,1,0,0|1,0,1]=4 17256 B13R1.1887 OCCCCOC1CCCCCC1 7a_100000210887_100000210776 [0,1,0,1,0,0|1,0,1]=4 17257 B13R1.2465 CCCCOC1(CCCCCC1)C 34a_100000708895_100000210210 [0,1,0,1,0,0|1,0,1]=4 17258 B13R1.2465 CCCCOC1(CCCCCC1)C 7a_100000708895_100000210211 [0,1,0,1,0,0|1,0,1]=4 17259 B13R1.2465 CCCCOC1(CCCNCC1)C 34a_100000723723_100000210210 [0,1,0,1,0,0|1,0,1]=4 17260 B13R1.2914 C#CCCCCC(=O)C1CC1CC 1458a_200011661523_100010269958 [0,1,0,1,0,0|1,0,1]=4 17261 B13R1.2914 C#CCCCNC(=O)C1CC1CC 11a_100000718082_200011661523 [0,1,0,1,0,0|1,0,1]=4 17262 B13R1.2914 C#CCCCNC(=O)C1CC1CC 1626a_100000718082_200011661523 [0,1,0,1,0,0|1,0,1]=4 17263 B13R1.2914 C#CCCCNC(=O)C1CC1CC 240690a_100000718082_200011661523 [0,1,0,1,0,0|1,0,1]=4 17264 B13R1.2914 C#CCCCNC(=O)C1CC1CC 527a_100000718082_200011661523 [0,1,0,1,0,0|1,0,1]=4 17265 B13R1.2914 C=CCCCCC(=O)C1CC1CC 1458a_200011661523_100011215482 [0,1,0,1,0,0|1,0,1]=4 17266 B13R1.2914 C=CCCCNC(=O)C1CC1CC 11a_100000700776_200011661523 [0,1,0,1,0,0|1,0,1]=4 17267 B13R1.2914 C=CCCCNC(=O)C1CC1CC 1626a_100000700776_200011661523 [0,1,0,1,0,0|1,0,1]=4 17268 B13R1.2914 C=CCCCNC(=O)C1CC1CC 240690a_100000700776_200011661523 [0,1,0,1,0,0|1,0,1]=4 17269 B13R1.2914 C=CCCCNC(=O)C1CC1CC 527a_100000700776_200011661523 [0,1,0,1,0,0|1,0,1]=4 17270 B13R1.2914 CC/C=C\CCC(=O)C1CC1CC 1458a_200011661523_100015370543 [0,1,0,1,0,0|1,0,1]=4 17271 B13R1.2914 CCC1CC1C(=O)CCCCC#N 1458a_200011661523_100000211819 [0,1,0,1,0,0|1,0,1]=4 17272 B13R1.2914 CCC1CC1C(=O)CCCCCF 1458a_200011661523_100000729378 [0,1,0,1,0,0|1,0,0]=3 17273 B13R1.2914 CCC1CC1C(=O)CCCCCO 1458a_200011661523_100000746330 [0,1,0,1,0,0|1,0,0]=3 17274 B13R1.2914 CCC1CC1C(=O)CCCCOC 1458a_200011661523_100000755781 [0,1,0,1,0,0|1,0,0]=3 17275 B13R1.2914 CCC1CC1C(=O)CCOCCO 1458a_200011661523_100011215305 [0,1,0,1,0,0|2,0,0]=4 17276 B13R1.2914 CCC1CC1C(=O)NCCCCO 240690a_100000750430_200011661523 [0,1,0,1,0,0|1,0,0]=3 17277 B13R1.2914 CCC1CC1C(=O)NCCCCO 527a_100000750430_200011661523 [0,1,0,1,0,0|1,0,0]=3 17278 B13R1.2914 CCC1CC1C(=O)NCCCOC 1626a_100150723488_200011661523 [0,1,0,1,0,0|1,0,0]=3 17279 B13R1.2914 CCC1CC1C(=O)NCCCOC 240690a_100150723488_200011661523 [0,1,0,1,0,0|1,0,0]=3 17280 B13R1.2914 CCC1CC1C(=O)NCCCOC 527a_100150723488_200011661523 [0,1,0,1,0,0|1,0,0]=3 17281 B13R1.2914 CCC1CC1C(=O)NCCCSC 11a_100000749238_200011661523 [0,1,0,1,0,0|1,0,0]=3 17282 B13R1.2914 CCC1CC1C(=O)NCCCSC 1626a_100000749238_200011661523 [0,1,0,1,0,0|1,0,0]=3 17283 B13R1.2914 CCC1CC1C(=O)NCCCSC 240690a_100000749238_200011661523 [0,1,0,1,0,0|1,0,0]=3 17284 B13R1.2914 CCC1CC1C(=O)NCCCSC 527a_100000749238_200011661523 [0,1,0,1,0,0|1,0,0]=3 17285 B13R1.2914 CCC1CC1C(=O)NNCCOC 22a_100000741390_200011661523 [0,1,0,1,0,0|2,0,0]=4 17286 B13R1.2914 CCCCCCC(=O)C1CC1CC 1458a_200011661523_100000210757 [0,1,0,1,0,0|1,0,0]=3 17287 B13R1.2914 CCCCCNC(=O)C1CC1CC 11a_100000209983_200011661523 [0,1,0,1,0,0|1,0,0]=3 17288 B13R1.2914 CCCCCNC(=O)C1CC1CC 1626a_100000209983_200011661523 [0,1,0,1,0,0|1,0,0]=3 17289 B13R1.2914 CCCCCNC(=O)C1CC1CC 240690a_100000209983_200011661523 [0,1,0,1,0,0|1,0,0]=3 17290 B13R1.2914 CCCCCNC(=O)C1CC1CC 527a_100000209983_200011661523 [0,1,0,1,0,0|1,0,0]=3 17291 B13R1.2914 CCCCNNC(=O)C1CC1CC 22a_100025702795_200011661523 [0,1,0,1,0,0|1,0,0]=3 17292 B13R1.2914 CCCCOCC(=O)C1CC1CC 1458a_200011661523_100011995733 [0,1,0,1,0,0|0,0,0]=2 17293 B13R1.2914 CCCCOCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100011995733 [0,1,0,1,0,0|1,0,1]=4 17294 B13R1.2914 CCCOCCC(=O)C1CC1CC 1458a_200011661523_100011215938 [0,1,0,1,0,0|1,0,0]=3 17295 B13R1.2914 CCOCCCC(=O)C1CC1CC 1458a_200011661523_100012232248 [0,1,0,1,0,0|1,0,0]=3 17296 B13R1.2914 CCOCCNC(=O)C1CC1CC 11a_100011200944_200011661523 [0,1,0,1,0,0|1,0,0]=3 17297 B13R1.2914 CCOCCNC(=O)C1CC1CC 1626a_102516460346_200011661523 [0,1,0,1,0,0|1,0,0]=3 17298 B13R1.2914 CCOCCNC(=O)C1CC1CC 240690a_100011200944_200011661523 [0,1,0,1,0,0|1,0,0]=3 17299 B13R1.2914 CCOCCNC(=O)C1CC1CC 527a_100011200944_200011661523 [0,1,0,1,0,0|1,0,0]=3 17300 B13R1.2914 CCSCCNC(=O)C1CC1CC 11a_100000106463_200011661523 [0,1,0,1,0,0|1,0,0]=3 17301 B13R1.2914 CCSCCNC(=O)C1CC1CC 1626a_100000106463_200011661523 [0,1,0,1,0,0|1,0,0]=3 17302 B13R1.2914 CCSCCNC(=O)C1CC1CC 240690a_100000106463_200011661523 [0,1,0,1,0,0|1,0,0]=3 17303 B13R1.2914 CCSCCNC(=O)C1CC1CC 527a_100000106463_200011661523 [0,1,0,1,0,0|1,0,0]=3 17304 B13R1.2915 CCCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100102632555 [0,1,0,1,0,0|2,0,0]=4 17305 B13R1.2915 CCCCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100102632555 [0,1,0,1,0,0|2,0,0]=4 17306 B13R1.2915 CCCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100102632555 [0,1,0,1,0,0|2,0,0]=4 17307 B13R1.2915 CCCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100102632555 [0,1,0,1,0,0|2,0,0]=4 17308 B13R1.2915 CCCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100102632555 [0,1,0,1,0,0|2,0,0]=4 17309 B13R1.2915 CCCCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100102632555 [0,1,0,1,0,0|2,0,0]=4 17310 B13R1.2915 CCCCCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100000209983_100015190264 [0,1,0,1,0,0|2,0,0]=4 17311 B13R1.2915 CCCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100000209983_100015190264 [0,1,0,1,0,0|2,0,0]=4 17312 B13R1.2915 CCCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100000209983 [0,1,0,1,0,0|2,0,0]=4 17313 B13R1.2915 CCCCCNC(=O)N[C@@H]1C[C@@H]1F 512a_100000209983_100015190264 [0,1,0,1,0,0|2,0,0]=4 17314 B13R1.2915 CCCCCNC(=O)N[C@@H]1C[C@H]1F 2708a_100000209983_100025746932 [0,1,0,1,0,0|2,0,0]=4 17315 B13R1.2915 CCCCCNC(=O)N[C@@H]1C[C@H]1F 273464a_100000209983_100025746932 [0,1,0,1,0,0|2,0,0]=4 17316 B13R1.2915 CCCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100000209983_100025746932 [0,1,0,1,0,0|2,0,0]=4 17317 B13R1.2915 CCCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100000209983 [0,1,0,1,0,0|2,0,0]=4 17318 B13R1.2915 CCCCOCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000757543 [0,1,0,1,0,0|2,0,0]=4 17319 B13R1.2915 CCCCOCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000757543 [0,1,0,1,0,0|2,0,0]=4 17320 B13R1.2915 CCCCOCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000757543 [0,1,0,1,0,0|2,0,0]=4 17321 B13R1.2915 CCCCOCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000757543 [0,1,0,1,0,0|2,0,0]=4 17322 B13R1.2915 CCCCOCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000757543 [0,1,0,1,0,0|2,0,0]=4 17323 B13R1.2915 CCCCOCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000757543 [0,1,0,1,0,0|2,0,0]=4 17324 B13R1.2915 CCCCSCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000191162 [0,1,0,1,0,0|2,0,0]=4 17325 B13R1.2915 CCCCSCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000191162 [0,1,0,1,0,0|2,0,0]=4 17326 B13R1.2915 CCCCSCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000191162 [0,1,0,1,0,0|2,0,0]=4 17327 B13R1.2915 CCCCSCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000191162 [0,1,0,1,0,0|2,0,0]=4 17328 B13R1.2915 CCCCSCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000191162 [0,1,0,1,0,0|2,0,0]=4 17329 B13R1.2915 CCCCSCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000191162 [0,1,0,1,0,0|2,0,0]=4 17330 B13R1.2915 O=C(CCCCCO)N[C@@H]1C[C@@H]1F 240690a_100015190264_100102619762 [0,1,0,1,0,0|2,0,0]=4 17331 B13R1.2915 O=C(CCCCCO)N[C@@H]1C[C@H]1F 240690a_100025746932_100102619762 [0,1,0,1,0,0|2,0,0]=4 17332 B13R1.2916 C#CCCCCC(=O)CC1CCC1 1458a_100000696528_100000763275 [0,1,0,1,0,0|1,0,1]=4 17333 B13R1.2916 C#CCCCCC(=O)CC1CCC1 1458a_100000763092_100010269958 [0,1,0,1,0,0|1,0,1]=4 17334 B13R1.2916 C#CCCCCC(=O)NC1CCC1 11a_100000749019_100000696528 [0,1,0,1,0,0|1,0,1]=4 17335 B13R1.2916 C#CCCCCC(=O)NC1CCC1 1626a_100000749019_100000696528 [0,1,0,1,0,0|1,0,1]=4 17336 B13R1.2916 C#CCCCCC(=O)NC1CCC1 240690a_100000749019_100000696528 [0,1,0,1,0,0|1,0,1]=4 17337 B13R1.2916 C#CCCCCC(=O)NC1CCC1 527a_100000749019_100000696528 [0,1,0,1,0,0|1,0,1]=4 17338 B13R1.2916 C#CCCCNC(=O)CC1CCC1 11a_100000718082_100000763092 [0,1,0,1,0,0|1,0,1]=4 17339 B13R1.2916 C#CCCCNC(=O)CC1CCC1 1626a_100000718082_100000763092 [0,1,0,1,0,0|1,0,1]=4 17340 B13R1.2916 C#CCCCNC(=O)CC1CCC1 240690a_100000718082_100000763092 [0,1,0,1,0,0|1,0,1]=4 17341 B13R1.2916 C#CCCCNC(=O)CC1CCC1 527a_100000718082_100000763092 [0,1,0,1,0,0|1,0,1]=4 17342 B13R1.2916 C=CCCCCC(=O)CC1CCC1 1458a_100000763092_100011215482 [0,1,0,1,0,0|1,0,1]=4 17343 B13R1.2916 C=CCCCCC(=O)CC1CCC1 1458a_100011215552_100000763275 [0,1,0,1,0,0|1,0,1]=4 17344 B13R1.2916 C=CCCCCC(=O)NC1CCC1 11a_100000749019_100011215552 [0,1,0,1,0,0|1,0,1]=4 17345 B13R1.2916 C=CCCCCC(=O)NC1CCC1 1626a_100000749019_100011215552 [0,1,0,1,0,0|1,0,1]=4 17346 B13R1.2916 C=CCCCCC(=O)NC1CCC1 240690a_100000749019_100011215552 [0,1,0,1,0,0|1,0,1]=4 17347 B13R1.2916 C=CCCCCC(=O)NC1CCC1 527a_100000749019_100011215552 [0,1,0,1,0,0|1,0,1]=4 17348 B13R1.2916 C=CCCCNC(=O)CC1CCC1 11a_100000700776_100000763092 [0,1,0,1,0,0|1,0,1]=4 17349 B13R1.2916 C=CCCCNC(=O)CC1CCC1 1626a_100000700776_100000763092 [0,1,0,1,0,0|1,0,1]=4 17350 B13R1.2916 C=CCCCNC(=O)CC1CCC1 240690a_100000700776_100000763092 [0,1,0,1,0,0|1,0,1]=4 17351 B13R1.2916 C=CCCCNC(=O)CC1CCC1 527a_100000700776_100000763092 [0,1,0,1,0,0|1,0,1]=4 17352 B13R1.2916 CC/C=C\CCC(=O)CC1CCC1 1458a_100000763092_100015370543 [0,1,0,1,0,0|1,0,1]=4 17353 B13R1.2916 CCC/C=C/CC(=O)CC1CCC1 1458a_200016266809_100000763275 [0,1,0,1,0,0|1,0,1]=4 17354 B13R1.2916 CCC/C=C/CC(=O)NC1CCC1 11a_100000749019_200016266809 [0,1,0,1,0,0|1,0,1]=4 17355 B13R1.2916 CCC/C=C/CC(=O)NC1CCC1 1626a_100000749019_200016266809 [0,1,0,1,0,0|1,0,1]=4 17356 B13R1.2916 CCC/C=C/CC(=O)NC1CCC1 240690a_100000749019_200016266809 [0,1,0,1,0,0|1,0,1]=4 17357 B13R1.2916 CCC/C=C/CC(=O)NC1CCC1 527a_100000749019_200016266809 [0,1,0,1,0,0|1,0,1]=4 17358 B13R1.2916 CCCCC=CC(=O)CC1CCC1 1458a_100016266645_100000763275 [0,1,0,1,0,0|1,0,0]=3 17359 B13R1.2916 CCCCC=CC(=O)CC1CCO1 1458a_100016266645_100000103362 [0,1,0,1,0,0|2,0,0]=4 17360 B13R1.2916 CCCCC=CC(=O)CC1COC1 1458a_100016266645_100010264016 [0,1,0,1,0,0|2,0,0]=4 17361 B13R1.2916 CCCCC=CC(=O)NC1CCC1 11a_100000749019_100016266645 [0,1,0,1,0,0|1,0,1]=4 17362 B13R1.2916 CCCCC=CC(=O)NC1CCC1 1626a_100000749019_100016266645 [0,1,0,1,0,0|1,0,1]=4 17363 B13R1.2916 CCCCC=CC(=O)NC1CCC1 240690a_100000749019_100016266645 [0,1,0,1,0,0|1,0,1]=4 17364 B13R1.2916 CCCCCCC(=O)C=C1CCC1 1458a_100000686340_100000210757 [0,1,0,1,0,0|1,0,1]=4 17365 B13R1.2916 CCCCCCC(=O)CC1CCC1 1458a_100000763092_100000210757 [0,1,0,1,0,0|1,0,0]=3 17366 B13R1.2916 CCCCCCC(=O)CC1CCC1 1458a_100102632555_100000763275 [0,1,0,1,0,0|1,0,0]=3 17367 B13R1.2916 CCCCCCC(=O)CC1CCO1 1458a_100102632555_100000103362 [0,1,0,1,0,0|2,0,0]=4 17368 B13R1.2916 CCCCCCC(=O)CC1COC1 1458a_100000687760_100000210757 [0,1,0,1,0,0|2,0,0]=4 17369 B13R1.2916 CCCCCCC(=O)CC1COC1 1458a_100102632555_100010264016 [0,1,0,1,0,0|2,0,0]=4 17370 B13R1.2916 CCCCCCC(=O)NC1CCC1 11a_100000749019_100102632555 [0,1,0,1,0,0|1,0,0]=3 17371 B13R1.2916 CCCCCCC(=O)NC1CCC1 1626a_100000749019_100102632555 [0,1,0,1,0,0|1,0,0]=3 17372 B13R1.2916 CCCCCCC(=O)NC1CCC1 240690a_100000749019_100102632555 [0,1,0,1,0,0|1,0,0]=3 17373 B13R1.2916 CCCCCCC(=O)NC1CCC1 527a_100000749019_100102632555 [0,1,0,1,0,0|1,0,0]=3 17374 B13R1.2916 CCCCCCC(=O)NC1COC1 11a_100016991112_100102632555 [0,1,0,1,0,0|2,0,0]=4 17375 B13R1.2916 CCCCCCC(=O)NC1COC1 1626a_100016991112_100102632555 [0,1,0,1,0,0|2,0,0]=4 17376 B13R1.2916 CCCCCCC(=O)NC1COC1 240690a_100016991112_100102632555 [0,1,0,1,0,0|2,0,0]=4 17377 B13R1.2916 CCCCCCC(=O)NC1COC1 527a_100016991112_100102632555 [0,1,0,1,0,0|2,0,0]=4 17378 B13R1.2916 CCCCCCC(=O)NC1CSC1 11a_100016994217_100102632555 [0,1,0,1,0,0|2,0,0]=4 17379 B13R1.2916 CCCCCCC(=O)NC1CSC1 1626a_100016994217_100102632555 [0,1,0,1,0,0|2,0,0]=4 17380 B13R1.2916 CCCCCCC(=O)NC1CSC1 240690a_100016994217_100102632555 [0,1,0,1,0,0|2,0,0]=4 17381 B13R1.2916 CCCCCCC(=O)NC1CSC1 527a_100016994217_100102632555 [0,1,0,1,0,0|2,0,0]=4 17382 B13R1.2916 CCCCCCC(C)OC1CCC1 34a_100000210265_100000749161 [0,1,0,1,0,0|1,0,1]=4 17383 B13R1.2916 CCCCCCC(C)OC1CCC1 34a_100000748187_100011215978 [0,1,0,1,0,0|1,0,1]=4 17384 B13R1.2916 CCCCCNC(=O)C=C1CCC1 11a_100000209983_100000686340 [0,1,0,1,0,0|1,0,1]=4 17385 B13R1.2916 CCCCCNC(=O)C=C1CCC1 240690a_100000209983_100000686340 [0,1,0,1,0,0|1,0,1]=4 17386 B13R1.2916 CCCCCNC(=O)CC1CCC1 11a_100000209983_100000763092 [0,1,0,1,0,0|1,0,0]=3 17387 B13R1.2916 CCCCCNC(=O)CC1CCC1 1626a_100000209983_100000763092 [0,1,0,1,0,0|1,0,0]=3 17388 B13R1.2916 CCCCCNC(=O)CC1CCC1 240690a_100000209983_100000763092 [0,1,0,1,0,0|1,0,0]=3 17389 B13R1.2916 CCCCCNC(=O)CC1CCC1 527a_100000209983_100000763092 [0,1,0,1,0,0|1,0,0]=3 17390 B13R1.2916 CCCCCNC(=O)CC1COC1 11a_100000209983_100000687760 [0,1,0,1,0,0|2,0,0]=4 17391 B13R1.2916 CCCCCNC(=O)CC1COC1 1626a_100000209983_100000687760 [0,1,0,1,0,0|2,0,0]=4 17392 B13R1.2916 CCCCCNC(=O)CN1CCC1 269982a_100000754969_100000230301 [0,1,0,1,0,0|2,0,0]=4 17393 B13R1.2916 CCCCCNC(=O)NC1CCC1 2708a_100000209983_100000749019 [0,1,0,1,0,0|1,0,0]=3 17394 B13R1.2916 CCCCCNC(=O)NC1CCC1 273464a_100000209983_100000749019 [0,1,0,1,0,0|1,0,0]=3 17395 B13R1.2916 CCCCCNC(=O)NC1CCC1 273464a_100000749019_100000209983 [0,1,0,1,0,0|1,0,0]=3 17396 B13R1.2916 CCCCCNC(=O)NC1CCC1 512a_100000209983_100000749019 [0,1,0,1,0,0|1,0,0]=3 17397 B13R1.2916 CCCCCNC(=O)NC1CCC1 512a_100000749019_100000209983 [0,1,0,1,0,0|1,0,0]=3 17398 B13R1.2916 CCCCCNC(=O)NC1COC1 2708a_100000209983_100016991112 [0,1,0,1,0,0|2,0,0]=4 17399 B13R1.2916 CCCCCNC(=O)NC1COC1 2708a_100016991112_100000209983 [0,1,0,1,0,0|2,0,0]=4 17400 B13R1.2916 CCCCCNC(=O)NC1COC1 273464a_100000209983_100016991112 [0,1,0,1,0,0|2,0,0]=4 17401 B13R1.2916 CCCCCNC(=O)NC1COC1 273464a_100016991112_100000209983 [0,1,0,1,0,0|2,0,0]=4 17402 B13R1.2916 CCCCCNC(=O)NC1COC1 512a_100000209983_100016991112 [0,1,0,1,0,0|2,0,0]=4 17403 B13R1.2916 CCCCCNC(=O)NC1COC1 512a_100016991112_100000209983 [0,1,0,1,0,0|2,0,0]=4 17404 B13R1.2916 CCCCCNC(=O)NC1CSC1 2708a_100000209983_100016994217 [0,1,0,1,0,0|2,0,0]=4 17405 B13R1.2916 CCCCCNC(=O)NC1CSC1 2708a_100016994217_100000209983 [0,1,0,1,0,0|2,0,0]=4 17406 B13R1.2916 CCCCCNC(=O)NC1CSC1 273464a_100000209983_100016994217 [0,1,0,1,0,0|2,0,0]=4 17407 B13R1.2916 CCCCCNC(=O)NC1CSC1 273464a_100016994217_100000209983 [0,1,0,1,0,0|2,0,0]=4 17408 B13R1.2916 CCCCCNC(=O)NC1CSC1 512a_100000209983_100016994217 [0,1,0,1,0,0|2,0,0]=4 17409 B13R1.2916 CCCCCNC(=O)NC1CSC1 512a_100016994217_100000209983 [0,1,0,1,0,0|2,0,0]=4 17410 B13R1.2916 CCCCNNC(=O)CC1CCC1 22a_100025702795_100000763092 [0,1,0,1,0,0|1,0,0]=3 17411 B13R1.2916 CCCCNNC(=O)CC1COC1 22a_100025702795_100000687760 [0,1,0,1,0,0|2,0,0]=4 17412 B13R1.2916 CCCCNNC(=O)NC1CCC1 273464a_100000749019_100025702795 [0,1,0,1,0,0|2,0,0]=4 17413 B13R1.2916 CCCCNNC(=O)NC1CCC1 512a_100000749019_100025702795 [0,1,0,1,0,0|2,0,0]=4 17414 B13R1.2916 CCCCNNC(=O)NC1CCC1 512a_100025702795_100000749019 [0,1,0,1,0,0|2,0,0]=4 17415 B13R1.2916 CCCCOCC(=O)C=C1CCC1 1458a_100000686340_100011995733 [0,1,0,1,0,0|0,0,2]=4 17416 B13R1.2916 CCCCOCC(=O)CC1CCC1 1458a_100000757543_100000763275 [0,1,0,1,0,0|0,0,0]=2 17417 B13R1.2916 CCCCOCC(=O)CC1CCC1 1458a_100000763092_100011995733 [0,1,0,1,0,0|0,0,0]=2 17418 B13R1.2916 CCCCOCC(=O)CC1CCO1 1458a_100000757543_100000103362 [0,1,0,1,0,0|1,0,0]=3 17419 B13R1.2916 CCCCOCC(=O)CC1COC1 1458a_100000687760_100011995733 [0,1,0,1,0,0|1,0,0]=3 17420 B13R1.2916 CCCCOCC(=O)CC1COC1 1458a_100000757543_100010264016 [0,1,0,1,0,0|1,0,0]=3 17421 B13R1.2916 CCCCOCC(=O)NC1CCC1 11a_100000749019_100000757543 [0,1,0,1,0,0|1,0,0]=3 17422 B13R1.2916 CCCCOCC(=O)NC1CCC1 1626a_100000749019_100000757543 [0,1,0,1,0,0|1,0,0]=3 17423 B13R1.2916 CCCCOCC(=O)NC1CCC1 240690a_100000749019_100000757543 [0,1,0,1,0,0|1,0,0]=3 17424 B13R1.2916 CCCCOCC(=O)NC1CCC1 527a_100000749019_100000757543 [0,1,0,1,0,0|1,0,0]=3 17425 B13R1.2916 CCCCOCC(=O)NC1COC1 11a_100016991112_100000757543 [0,1,0,1,0,0|2,0,0]=4 17426 B13R1.2916 CCCCOCC(=O)NC1COC1 1626a_100016991112_100000757543 [0,1,0,1,0,0|2,0,0]=4 17427 B13R1.2916 CCCCOCC(=O)NC1COC1 240690a_100016991112_100000757543 [0,1,0,1,0,0|2,0,0]=4 17428 B13R1.2916 CCCCOCC(=O)NC1COC1 527a_100016991112_100000757543 [0,1,0,1,0,0|2,0,0]=4 17429 B13R1.2916 CCCCOCC(=O)NC1CSC1 11a_100016994217_100000757543 [0,1,0,1,0,0|2,0,0]=4 17430 B13R1.2916 CCCCOCC(=O)NC1CSC1 1626a_100016994217_100000757543 [0,1,0,1,0,0|2,0,0]=4 17431 B13R1.2916 CCCCOCC(=O)NC1CSC1 240690a_100016994217_100000757543 [0,1,0,1,0,0|2,0,0]=4 17432 B13R1.2916 CCCCOCC(=O)NC1CSC1 527a_100016994217_100000757543 [0,1,0,1,0,0|2,0,0]=4 17433 B13R1.2916 CCCCOCC(C)OC1CCC1 34a_100011217071_100000749161 [0,1,0,1,0,0|1,0,1]=4 17434 B13R1.2916 CCCCOCN(C)CC1CCC1 2230a_200000750244_100011995733 [0,1,0,1,0,0|2,0,0]=4 17435 B13R1.2916 CCCCOCN(C)CC1CCC1 269982a_200000750244_100011995733 [0,1,0,1,0,0|2,0,0]=4 17436 B13R1.2916 CCCCOCN(C)CC1CCC1 34a_200000750244_100011995733 [0,1,0,1,0,0|2,0,0]=4 17437 B13R1.2916 CCCCSCC(=O)CC1CCC1 1458a_100000191162_100000763275 [0,1,0,1,0,0|0,1,0]=3 17438 B13R1.2916 CCCCSCC(=O)CC1CCO1 1458a_100000191162_100000103362 [0,1,0,1,0,0|1,1,0]=4 17439 B13R1.2916 CCCCSCC(=O)CC1COC1 1458a_100000191162_100010264016 [0,1,0,1,0,0|1,1,0]=4 17440 B13R1.2916 CCCCSCC(=O)NC1CCC1 11a_100000749019_100000191162 [0,1,0,1,0,0|1,0,0]=3 17441 B13R1.2916 CCCCSCC(=O)NC1CCC1 1626a_100000749019_100000191162 [0,1,0,1,0,0|1,0,0]=3 17442 B13R1.2916 CCCCSCC(=O)NC1CCC1 240690a_100000749019_100000191162 [0,1,0,1,0,0|1,0,0]=3 17443 B13R1.2916 CCCCSCC(=O)NC1CCC1 527a_100000749019_100000191162 [0,1,0,1,0,0|1,0,0]=3 17444 B13R1.2916 CCCCSCC(=O)NC1COC1 11a_100016991112_100000191162 [0,1,0,1,0,0|2,0,0]=4 17445 B13R1.2916 CCCCSCC(=O)NC1COC1 1626a_100016991112_100000191162 [0,1,0,1,0,0|2,0,0]=4 17446 B13R1.2916 CCCCSCC(=O)NC1COC1 240690a_100016991112_100000191162 [0,1,0,1,0,0|2,0,0]=4 17447 B13R1.2916 CCCCSCC(=O)NC1COC1 527a_100016991112_100000191162 [0,1,0,1,0,0|2,0,0]=4 17448 B13R1.2916 CCCCSCC(=O)NC1CSC1 11a_100016994217_100000191162 [0,1,0,1,0,0|2,0,0]=4 17449 B13R1.2916 CCCCSCC(=O)NC1CSC1 1626a_100016994217_100000191162 [0,1,0,1,0,0|2,0,0]=4 17450 B13R1.2916 CCCCSCC(=O)NC1CSC1 240690a_100016994217_100000191162 [0,1,0,1,0,0|2,0,0]=4 17451 B13R1.2916 CCCCSCC(=O)NC1CSC1 527a_100016994217_100000191162 [0,1,0,1,0,0|2,0,0]=4 17452 B13R1.2916 CCCOCCC(=O)C=C1CCC1 1458a_100000686340_100011215938 [0,1,0,1,0,0|1,0,1]=4 17453 B13R1.2916 CCCOCCC(=O)CC1CCC1 1458a_100000763092_100011215938 [0,1,0,1,0,0|1,0,0]=3 17454 B13R1.2916 CCCOCCC(=O)CC1COC1 1458a_100000687760_100011215938 [0,1,0,1,0,0|2,0,0]=4 17455 B13R1.2916 CCOCCCC(=O)C=C1CCC1 1458a_100000686340_100012232248 [0,1,0,1,0,0|1,0,1]=4 17456 B13R1.2916 CCOCCCC(=O)CC1CCC1 1458a_100000763092_100012232248 [0,1,0,1,0,0|1,0,0]=3 17457 B13R1.2916 CCOCCCC(=O)CC1COC1 1458a_100000687760_100012232248 [0,1,0,1,0,0|2,0,0]=4 17458 B13R1.2916 CCOCCNC(=O)CC1CCC1 11a_100011200944_100000763092 [0,1,0,1,0,0|1,0,0]=3 17459 B13R1.2916 CCOCCNC(=O)CC1CCC1 1626a_102516460346_100000763092 [0,1,0,1,0,0|1,0,0]=3 17460 B13R1.2916 CCOCCNC(=O)CC1CCC1 240690a_100011200944_100000763092 [0,1,0,1,0,0|1,0,0]=3 17461 B13R1.2916 CCOCCNC(=O)CC1CCC1 527a_100011200944_100000763092 [0,1,0,1,0,0|1,0,0]=3 17462 B13R1.2916 CCOCCNC(=O)CC1COC1 11a_100011200944_100000687760 [0,1,0,1,0,0|2,0,0]=4 17463 B13R1.2916 CCOCCNC(=O)CC1COC1 1626a_102516460346_100000687760 [0,1,0,1,0,0|2,0,0]=4 17464 B13R1.2916 CCOCCNC(=O)NC1CCC1 2708a_100011200944_100000749019 [0,1,0,1,0,0|2,0,0]=4 17465 B13R1.2916 CCOCCNC(=O)NC1CCC1 273464a_100000749019_102516460346 [0,1,0,1,0,0|2,0,0]=4 17466 B13R1.2916 CCOCCNC(=O)NC1CCC1 273464a_102516460346_100000749019 [0,1,0,1,0,0|2,0,0]=4 17467 B13R1.2916 CCOCCNC(=O)NC1CCC1 512a_100000749019_100011200944 [0,1,0,1,0,0|2,0,0]=4 17468 B13R1.2916 CCOCCNC(=O)NC1CCC1 512a_100011200944_100000749019 [0,1,0,1,0,0|2,0,0]=4 17469 B13R1.2916 CCOCCOC(=O)CN1CCC1 269982a_100000754969_200000101388 [0,1,0,1,0,0|1,0,0]=3 17470 B13R1.2916 CCSCCNC(=O)CC1CCC1 11a_100000106463_100000763092 [0,1,0,1,0,0|1,0,0]=3 17471 B13R1.2916 CCSCCNC(=O)CC1CCC1 1626a_100000106463_100000763092 [0,1,0,1,0,0|1,0,0]=3 17472 B13R1.2916 CCSCCNC(=O)CC1CCC1 240690a_100000106463_100000763092 [0,1,0,1,0,0|1,0,0]=3 17473 B13R1.2916 CCSCCNC(=O)CC1CCC1 527a_100000106463_100000763092 [0,1,0,1,0,0|1,0,0]=3 17474 B13R1.2916 CCSCCNC(=O)CC1COC1 11a_100000106463_100000687760 [0,1,0,1,0,0|2,0,0]=4 17475 B13R1.2916 CCSCCNC(=O)CC1COC1 1626a_100000106463_100000687760 [0,1,0,1,0,0|2,0,0]=4 17476 B13R1.2916 CCSCCNC(=O)NC1CCC1 2708a_100000106463_100000749019 [0,1,0,1,0,0|2,0,0]=4 17477 B13R1.2916 CCSCCNC(=O)NC1CCC1 273464a_100000106463_100000749019 [0,1,0,1,0,0|2,0,0]=4 17478 B13R1.2916 CCSCCNC(=O)NC1CCC1 273464a_100000749019_100000106463 [0,1,0,1,0,0|2,0,0]=4 17479 B13R1.2916 CCSCCNC(=O)NC1CCC1 512a_100000106463_100000749019 [0,1,0,1,0,0|2,0,0]=4 17480 B13R1.2916 CCSCCNC(=O)NC1CCC1 512a_100000749019_100000106463 [0,1,0,1,0,0|2,0,0]=4 17481 B13R1.2916 COCCCCC(=O)C=C1CCC1 1458a_100000686340_100000755781 [0,1,0,1,0,0|1,0,1]=4 17482 B13R1.2916 COCCCCC(=O)CC1CCC1 1458a_100000763092_100000755781 [0,1,0,1,0,0|1,0,0]=3 17483 B13R1.2916 COCCCCC(=O)CC1COC1 1458a_100000687760_100000755781 [0,1,0,1,0,0|2,0,0]=4 17484 B13R1.2916 COCCCNC(=O)CC1CCC1 1626a_100150723488_100000763092 [0,1,0,1,0,0|1,0,0]=3 17485 B13R1.2916 COCCCNC(=O)CC1CCC1 240690a_100150723488_100000763092 [0,1,0,1,0,0|1,0,0]=3 17486 B13R1.2916 COCCCNC(=O)CC1CCC1 527a_100150723488_100000763092 [0,1,0,1,0,0|1,0,0]=3 17487 B13R1.2916 COCCCNC(=O)CC1COC1 1626a_100150723488_100000687760 [0,1,0,1,0,0|2,0,0]=4 17488 B13R1.2916 COCCCNC(=O)CN1CCC1 269982a_100000754969_100000183178 [0,1,0,1,0,0|2,0,0]=4 17489 B13R1.2916 COCCCNC(=O)NC1CCC1 2708a_100150723488_100000749019 [0,1,0,1,0,0|2,0,0]=4 17490 B13R1.2916 COCCCNC(=O)NC1CCC1 273464a_100000749019_100150723488 [0,1,0,1,0,0|2,0,0]=4 17491 B13R1.2916 COCCCNC(=O)NC1CCC1 273464a_100150723488_100000749019 [0,1,0,1,0,0|2,0,0]=4 17492 B13R1.2916 COCCCNC(=O)NC1CCC1 512a_100000749019_100150723488 [0,1,0,1,0,0|2,0,0]=4 17493 B13R1.2916 COCCNNC(=O)CC1CCC1 22a_100000741390_100000763092 [0,1,0,1,0,0|2,0,0]=4 17494 B13R1.2916 COCCOCC(=O)CC1CCC1 1458a_100000211095_100000763275 [0,1,0,1,0,0|1,0,0]=3 17495 B13R1.2916 COCCOCC(=O)CC1CCO1 1458a_100000211095_100000103362 [0,1,0,1,0,0|2,0,0]=4 17496 B13R1.2916 COCCOCC(=O)CC1COC1 1458a_100000211095_100010264016 [0,1,0,1,0,0|2,0,0]=4 17497 B13R1.2916 COCCOCC(=O)NC1CCC1 11a_100000749019_100000211095 [0,1,0,1,0,0|2,0,0]=4 17498 B13R1.2916 COCCOCC(=O)NC1CCC1 1626a_100000749019_100000211095 [0,1,0,1,0,0|2,0,0]=4 17499 B13R1.2916 COCCOCC(=O)NC1CCC1 240690a_100000749019_100000211095 [0,1,0,1,0,0|2,0,0]=4 17500 B13R1.2916 COCCOCC(=O)NC1CCC1 527a_100000749019_100000211095 [0,1,0,1,0,0|2,0,0]=4 17501 B13R1.2916 CSCCCNC(=O)CC1CCC1 11a_100000749238_100000763092 [0,1,0,1,0,0|1,0,0]=3 17502 B13R1.2916 CSCCCNC(=O)CC1CCC1 1626a_100000749238_100000763092 [0,1,0,1,0,0|1,0,0]=3 17503 B13R1.2916 CSCCCNC(=O)CC1CCC1 240690a_100000749238_100000763092 [0,1,0,1,0,0|1,0,0]=3 17504 B13R1.2916 CSCCCNC(=O)CC1CCC1 527a_100000749238_100000763092 [0,1,0,1,0,0|1,0,0]=3 17505 B13R1.2916 CSCCCNC(=O)CC1COC1 11a_100000749238_100000687760 [0,1,0,1,0,0|2,0,0]=4 17506 B13R1.2916 CSCCCNC(=O)CC1COC1 1626a_100000749238_100000687760 [0,1,0,1,0,0|2,0,0]=4 17507 B13R1.2916 CSCCCNC(=O)NC1CCC1 2708a_100000749238_100000749019 [0,1,0,1,0,0|2,0,0]=4 17508 B13R1.2916 CSCCCNC(=O)NC1CCC1 273464a_100000749019_100000749238 [0,1,0,1,0,0|2,0,0]=4 17509 B13R1.2916 CSCCCNC(=O)NC1CCC1 273464a_100000749238_100000749019 [0,1,0,1,0,0|2,0,0]=4 17510 B13R1.2916 CSCCCNC(=O)NC1CCC1 512a_100000749019_100000749238 [0,1,0,1,0,0|2,0,0]=4 17511 B13R1.2916 CSCCCNC(=O)NC1CCC1 512a_100000749238_100000749019 [0,1,0,1,0,0|2,0,0]=4 17512 B13R1.2916 N#CCCCCC(=O)CC1CCC1 1458a_100000763092_100000211819 [0,1,0,1,0,0|1,0,1]=4 17513 B13R1.2916 O=C(C=C1CCC1)CCCCCF 1458a_100000686340_100000729378 [0,1,0,1,0,0|1,0,1]=4 17514 B13R1.2916 O=C(C=C1CCC1)CCCCCO 1458a_100000686340_100000746330 [0,1,0,1,0,0|1,0,1]=4 17515 B13R1.2916 O=C(CC1CCC1)NCCCCO 240690a_100000750430_100000763092 [0,1,0,1,0,0|1,0,0]=3 17516 B13R1.2916 O=C(CC1CCC1)NCCCCO 527a_100000750430_100000763092 [0,1,0,1,0,0|1,0,0]=3 17517 B13R1.2916 O=C(CCCCCF)CC1CCC1 1458a_100000763092_100000729378 [0,1,0,1,0,0|1,0,0]=3 17518 B13R1.2916 O=C(CCCCCF)CC1COC1 1458a_100000687760_100000729378 [0,1,0,1,0,0|2,0,0]=4 17519 B13R1.2916 O=C(CCCCCO)CC1CCC1 1458a_100000763092_100000746330 [0,1,0,1,0,0|1,0,0]=3 17520 B13R1.2916 O=C(CCCCCO)CC1CCC1 1458a_100102619762_100000763275 [0,1,0,1,0,0|1,0,0]=3 17521 B13R1.2916 O=C(CCCCCO)CC1CCO1 1458a_100102619762_100000103362 [0,1,0,1,0,0|2,0,0]=4 17522 B13R1.2916 O=C(CCCCCO)CC1COC1 1458a_100000687760_100000746330 [0,1,0,1,0,0|2,0,0]=4 17523 B13R1.2916 O=C(CCCCCO)CC1COC1 1458a_100102619762_100010264016 [0,1,0,1,0,0|2,0,0]=4 17524 B13R1.2916 O=C(CCCCCO)NC1CCC1 240690a_100000749019_100102619762 [0,1,0,1,0,0|1,0,0]=3 17525 B13R1.2916 O=C(CCCCCO)NC1COC1 240690a_100016991112_100102619762 [0,1,0,1,0,0|2,0,0]=4 17526 B13R1.2916 O=C(CCCCCO)NC1CSC1 240690a_100016994217_100102619762 [0,1,0,1,0,0|2,0,0]=4 17527 B13R1.2916 O=C(CCOCCO)CC1CCC1 1458a_100000763092_100011215305 [0,1,0,1,0,0|2,0,0]=4 17528 B13R1.2916 O=C(CCOCCO)CC1CCC1 1458a_100011229844_100000763275 [0,1,0,1,0,0|2,0,0]=4 17529 B13R1.2916 O=C(CCOCCO)NC1CCC1 1626a_100000749019_100011229844 [0,1,0,1,0,0|2,0,0]=4 17530 B13R1.2916 O=C(CCOCCO)NC1CCC1 240690a_100000749019_100011229844 [0,1,0,1,0,0|2,0,0]=4 17531 B13R1.2916 O=C(NCCCCO)NC1CCC1 2708a_100000750430_100000749019 [0,1,0,1,0,0|2,0,0]=4 17532 B13R1.2916 O=C(NCCCCO)NC1CCC1 273464a_100000749019_100000750430 [0,1,0,1,0,0|2,0,0]=4 17533 B13R1.2916 O=C(NCCCCO)NC1CCC1 273464a_100000750430_100000749019 [0,1,0,1,0,0|2,0,0]=4 17534 B13R1.2916 O=C(NCCCCO)NC1CCC1 512a_100000749019_100000750430 [0,1,0,1,0,0|2,0,0]=4 17535 B13R1.2916 O=C(NCCCCO)NC1CCC1 512a_100000750430_100000749019 [0,1,0,1,0,0|2,0,0]=4 17536 B13R1.2917 C#CCCCCC(=O)CCC1CC1 1458a_100000696528_100000694398 [0,1,0,1,0,0|1,0,1]=4 17537 B13R1.2917 C#CCCCCC(=O)CCC1CC1 1458a_100000756386_100010269958 [0,1,0,1,0,0|1,0,1]=4 17538 B13R1.2917 C#CCCCCC(=O)NCC1CC1 11a_100000735609_100000696528 [0,1,0,1,0,0|1,0,1]=4 17539 B13R1.2917 C#CCCCCC(=O)NCC1CC1 1626a_100000735609_100000696528 [0,1,0,1,0,0|1,0,1]=4 17540 B13R1.2917 C#CCCCCC(=O)NCC1CC1 240690a_100000735609_100000696528 [0,1,0,1,0,0|1,0,1]=4 17541 B13R1.2917 C#CCCCCC(=O)NCC1CC1 527a_100000735609_100000696528 [0,1,0,1,0,0|1,0,1]=4 17542 B13R1.2917 C#CCCCNC(=O)CCC1CC1 11a_100000718082_100000756386 [0,1,0,1,0,0|1,0,1]=4 17543 B13R1.2917 C#CCCCNC(=O)CCC1CC1 1626a_100000718082_100000756386 [0,1,0,1,0,0|1,0,1]=4 17544 B13R1.2917 C#CCCCNC(=O)CCC1CC1 240690a_100000718082_100000756386 [0,1,0,1,0,0|1,0,1]=4 17545 B13R1.2917 C#CCCCNC(=O)CCC1CC1 527a_100000718082_100000756386 [0,1,0,1,0,0|1,0,1]=4 17546 B13R1.2917 C=CCCCCC(=O)CCC1CC1 1458a_100000756386_100011215482 [0,1,0,1,0,0|1,0,1]=4 17547 B13R1.2917 C=CCCCCC(=O)CCC1CC1 1458a_100011215552_100000694398 [0,1,0,1,0,0|1,0,1]=4 17548 B13R1.2917 C=CCCCCC(=O)NCC1CC1 11a_100000735609_100011215552 [0,1,0,1,0,0|1,0,1]=4 17549 B13R1.2917 C=CCCCCC(=O)NCC1CC1 1626a_100000735609_100011215552 [0,1,0,1,0,0|1,0,1]=4 17550 B13R1.2917 C=CCCCCC(=O)NCC1CC1 240690a_100000735609_100011215552 [0,1,0,1,0,0|1,0,1]=4 17551 B13R1.2917 C=CCCCCC(=O)NCC1CC1 527a_100000735609_100011215552 [0,1,0,1,0,0|1,0,1]=4 17552 B13R1.2917 C=CCCCNC(=O)CCC1CC1 11a_100000700776_100000756386 [0,1,0,1,0,0|1,0,1]=4 17553 B13R1.2917 C=CCCCNC(=O)CCC1CC1 1626a_100000700776_100000756386 [0,1,0,1,0,0|1,0,1]=4 17554 B13R1.2917 C=CCCCNC(=O)CCC1CC1 240690a_100000700776_100000756386 [0,1,0,1,0,0|1,0,1]=4 17555 B13R1.2917 C=CCCCNC(=O)CCC1CC1 527a_100000700776_100000756386 [0,1,0,1,0,0|1,0,1]=4 17556 B13R1.2917 CC/C=C\CCC(=O)CCC1CC1 1458a_100000756386_100015370543 [0,1,0,1,0,0|1,0,1]=4 17557 B13R1.2917 CCC/C=C/CC(=O)CCC1CC1 1458a_200016266809_100000694398 [0,1,0,1,0,0|1,0,1]=4 17558 B13R1.2917 CCC/C=C/CC(=O)NCC1CC1 11a_100000735609_200016266809 [0,1,0,1,0,0|1,0,1]=4 17559 B13R1.2917 CCC/C=C/CC(=O)NCC1CC1 1626a_100000735609_200016266809 [0,1,0,1,0,0|1,0,1]=4 17560 B13R1.2917 CCC/C=C/CC(=O)NCC1CC1 240690a_100000735609_200016266809 [0,1,0,1,0,0|1,0,1]=4 17561 B13R1.2917 CCC/C=C/CC(=O)NCC1CC1 527a_100000735609_200016266809 [0,1,0,1,0,0|1,0,1]=4 17562 B13R1.2917 CCCCC=CC(=O)CCC1CC1 1458a_100016266645_100000694398 [0,1,0,1,0,0|1,0,0]=3 17563 B13R1.2917 CCCCC=CC(=O)CCC1CO1 1458a_100016266645_100000732470 [0,1,0,1,0,0|2,0,0]=4 17564 B13R1.2917 CCCCC=CC(=O)NCC1CC1 11a_100000735609_100016266645 [0,1,0,1,0,0|1,0,1]=4 17565 B13R1.2917 CCCCC=CC(=O)NCC1CC1 1626a_100000735609_100016266645 [0,1,0,1,0,0|1,0,1]=4 17566 B13R1.2917 CCCCC=CC(=O)NCC1CC1 240690a_100000735609_100016266645 [0,1,0,1,0,0|1,0,1]=4 17567 B13R1.2917 CCCCCCC(=O)C=CC1CC1 1458a_100102529529_100000210757 [0,1,0,1,0,0|1,0,1]=4 17568 B13R1.2917 CCCCCCC(=O)CCC1CC1 1458a_100000756386_100000210757 [0,1,0,1,0,0|1,0,0]=3 17569 B13R1.2917 CCCCCCC(=O)CCC1CC1 1458a_100102632555_100000694398 [0,1,0,1,0,0|1,0,0]=3 17570 B13R1.2917 CCCCCCC(=O)CCC1CO1 1458a_100102632555_100000732470 [0,1,0,1,0,0|2,0,0]=4 17571 B13R1.2917 CCCCCCC(=O)NCC1CC1 11a_100000735609_100102632555 [0,1,0,1,0,0|1,0,0]=3 17572 B13R1.2917 CCCCCCC(=O)NCC1CC1 1626a_100000735609_100102632555 [0,1,0,1,0,0|1,0,0]=3 17573 B13R1.2917 CCCCCCC(=O)NCC1CC1 240690a_100000735609_100102632555 [0,1,0,1,0,0|1,0,0]=3 17574 B13R1.2917 CCCCCCC(=O)NCC1CC1 527a_100000735609_100102632555 [0,1,0,1,0,0|1,0,0]=3 17575 B13R1.2917 CCCCCCC(=O)NNC1CC1 22a_100000701032_100102632555 [0,1,0,1,0,0|2,0,0]=4 17576 B13R1.2917 CCCCCCC(C)OCC1CC1 34a_100000210265_100000742324 [0,1,0,1,0,0|1,0,1]=4 17577 B13R1.2917 CCCCCCC(C)OCC1CC1 34a_100000211283_100011215978 [0,1,0,1,0,0|1,0,1]=4 17578 B13R1.2917 CCCCCCC(C)OCC1CC1 7a_100000210265_100000742324 [0,1,0,1,0,0|1,0,1]=4 17579 B13R1.2917 CCCCCNC(=O)C=CC1CC1 11a_100000209983_100102529529 [0,1,0,1,0,0|1,0,1]=4 17580 B13R1.2917 CCCCCNC(=O)C=CC1CC1 1626a_100000209983_100102529529 [0,1,0,1,0,0|1,0,1]=4 17581 B13R1.2917 CCCCCNC(=O)C=CC1CC1 240690a_100000209983_100102529529 [0,1,0,1,0,0|1,0,1]=4 17582 B13R1.2917 CCCCCNC(=O)CCC1CC1 11a_100000209983_100000756386 [0,1,0,1,0,0|1,0,0]=3 17583 B13R1.2917 CCCCCNC(=O)CCC1CC1 1626a_100000209983_100000756386 [0,1,0,1,0,0|1,0,0]=3 17584 B13R1.2917 CCCCCNC(=O)CCC1CC1 240690a_100000209983_100000756386 [0,1,0,1,0,0|1,0,0]=3 17585 B13R1.2917 CCCCCNC(=O)CCC1CC1 527a_100000209983_100000756386 [0,1,0,1,0,0|1,0,0]=3 17586 B13R1.2917 CCCCCNC(=O)CNC1CC1 34a_100000212008_100000230301 [0,1,0,1,0,0|2,0,0]=4 17587 B13R1.2917 CCCCCNC(=O)CSC1CC1 62a_100000230301_100000211595 [0,1,0,1,0,0|2,0,0]=4 17588 B13R1.2917 CCCCCNC(=O)NCC1CC1 2708a_100000209983_100000735609 [0,1,0,1,0,0|1,0,0]=3 17589 B13R1.2917 CCCCCNC(=O)NCC1CC1 2708a_100000735609_100000209983 [0,1,0,1,0,0|1,0,0]=3 17590 B13R1.2917 CCCCCNC(=O)NCC1CC1 273464a_100000209983_100000735609 [0,1,0,1,0,0|1,0,0]=3 17591 B13R1.2917 CCCCCNC(=O)NCC1CC1 273464a_100000735609_100000209983 [0,1,0,1,0,0|1,0,0]=3 17592 B13R1.2917 CCCCCNC(=O)NCC1CC1 512a_100000209983_100000735609 [0,1,0,1,0,0|1,0,0]=3 17593 B13R1.2917 CCCCCNC(=O)NCC1CC1 512a_100000735609_100000209983 [0,1,0,1,0,0|1,0,0]=3 17594 B13R1.2917 CCCCCNC(=O)NNC1CC1 273464a_100000209983_100000701032 [0,1,0,1,0,0|2,0,0]=4 17595 B13R1.2917 CCCCCNC(=O)NNC1CC1 512a_100000209983_100000701032 [0,1,0,1,0,0|2,0,0]=4 17596 B13R1.2917 CCCCCNC(=O)NNC1CC1 512a_100000701032_100000209983 [0,1,0,1,0,0|2,0,0]=4 17597 B13R1.2917 CCCCNNC(=O)CCC1CC1 22a_100025702795_100000756386 [0,1,0,1,0,0|1,0,0]=3 17598 B13R1.2917 CCCCNNC(=O)NCC1CC1 273464a_100000735609_100025702795 [0,1,0,1,0,0|2,0,0]=4 17599 B13R1.2917 CCCCNNC(=O)NCC1CC1 512a_100000735609_100025702795 [0,1,0,1,0,0|2,0,0]=4 17600 B13R1.2917 CCCCNNC(=O)NCC1CC1 512a_100025702795_100000735609 [0,1,0,1,0,0|2,0,0]=4 17601 B13R1.2917 CCCCOCC(=O)C=CC1CC1 1458a_100102529529_100011995733 [0,1,0,1,0,0|0,0,2]=4 17602 B13R1.2917 CCCCOCC(=O)CCC1CC1 1458a_100000756386_100011995733 [0,1,0,1,0,0|0,0,0]=2 17603 B13R1.2917 CCCCOCC(=O)CCC1CC1 1458a_100000757543_100000694398 [0,1,0,1,0,0|0,0,0]=2 17604 B13R1.2917 CCCCOCC(=O)CCC1CO1 1458a_100000757543_100000732470 [0,1,0,1,0,0|1,0,0]=3 17605 B13R1.2917 CCCCOCC(=O)NCC1CC1 11a_100000735609_100000757543 [0,1,0,1,0,0|1,0,0]=3 17606 B13R1.2917 CCCCOCC(=O)NCC1CC1 1626a_100000735609_100000757543 [0,1,0,1,0,0|1,0,0]=3 17607 B13R1.2917 CCCCOCC(=O)NCC1CC1 240690a_100000735609_100000757543 [0,1,0,1,0,0|1,0,0]=3 17608 B13R1.2917 CCCCOCC(=O)NCC1CC1 527a_100000735609_100000757543 [0,1,0,1,0,0|1,0,0]=3 17609 B13R1.2917 CCCCOCC(=O)NNC1CC1 22a_100000701032_100000757543 [0,1,0,1,0,0|2,0,0]=4 17610 B13R1.2917 CCCCOCC(C)OCC1CC1 34a_100011217071_100000742324 [0,1,0,1,0,0|1,0,1]=4 17611 B13R1.2917 CCCCOCC(C)OCC1CC1 7a_100011217071_100000742324 [0,1,0,1,0,0|1,0,1]=4 17612 B13R1.2917 CCCCSCC(=O)CCC1CC1 1458a_100000191162_100000694398 [0,1,0,1,0,0|0,1,0]=3 17613 B13R1.2917 CCCCSCC(=O)CCC1CO1 1458a_100000191162_100000732470 [0,1,0,1,0,0|1,1,0]=4 17614 B13R1.2917 CCCCSCC(=O)NCC1CC1 11a_100000735609_100000191162 [0,1,0,1,0,0|1,0,0]=3 17615 B13R1.2917 CCCCSCC(=O)NCC1CC1 1626a_100000735609_100000191162 [0,1,0,1,0,0|1,0,0]=3 17616 B13R1.2917 CCCCSCC(=O)NCC1CC1 240690a_100000735609_100000191162 [0,1,0,1,0,0|1,0,0]=3 17617 B13R1.2917 CCCCSCC(=O)NCC1CC1 527a_100000735609_100000191162 [0,1,0,1,0,0|1,0,0]=3 17618 B13R1.2917 CCCCSCC(=O)NNC1CC1 22a_100000701032_100000191162 [0,1,0,1,0,0|2,0,0]=4 17619 B13R1.2917 CCCOCCC(=O)C=CC1CC1 1458a_100102529529_100011215938 [0,1,0,1,0,0|1,0,1]=4 17620 B13R1.2917 CCCOCCC(=O)CCC1CC1 1458a_100000756386_100011215938 [0,1,0,1,0,0|1,0,0]=3 17621 B13R1.2917 CCOCCCC(=O)C=CC1CC1 1458a_100102529529_100012232248 [0,1,0,1,0,0|1,0,1]=4 17622 B13R1.2917 CCOCCCC(=O)CCC1CC1 1458a_100000756386_100012232248 [0,1,0,1,0,0|1,0,0]=3 17623 B13R1.2917 CCOCCNC(=O)CCC1CC1 11a_100011200944_100000756386 [0,1,0,1,0,0|1,0,0]=3 17624 B13R1.2917 CCOCCNC(=O)CCC1CC1 1626a_102516460346_100000756386 [0,1,0,1,0,0|1,0,0]=3 17625 B13R1.2917 CCOCCNC(=O)CCC1CC1 240690a_100011200944_100000756386 [0,1,0,1,0,0|1,0,0]=3 17626 B13R1.2917 CCOCCNC(=O)CCC1CC1 527a_100011200944_100000756386 [0,1,0,1,0,0|1,0,0]=3 17627 B13R1.2917 CCOCCNC(=O)NCC1CC1 2708a_100000735609_100011200944 [0,1,0,1,0,0|2,0,0]=4 17628 B13R1.2917 CCOCCNC(=O)NCC1CC1 2708a_100011200944_100000735609 [0,1,0,1,0,0|2,0,0]=4 17629 B13R1.2917 CCOCCNC(=O)NCC1CC1 273464a_100000735609_102516460346 [0,1,0,1,0,0|2,0,0]=4 17630 B13R1.2917 CCOCCNC(=O)NCC1CC1 273464a_102516460346_100000735609 [0,1,0,1,0,0|2,0,0]=4 17631 B13R1.2917 CCOCCNC(=O)NCC1CC1 512a_100000735609_100011200944 [0,1,0,1,0,0|2,0,0]=4 17632 B13R1.2917 CCOCCNC(=O)NCC1CC1 512a_100011200944_100000735609 [0,1,0,1,0,0|2,0,0]=4 17633 B13R1.2917 CCOCCOC(=O)CNC1CC1 34a_100000212008_200000101388 [0,1,0,1,0,0|1,0,0]=3 17634 B13R1.2917 CCOCCOC(=O)CSC1CC1 62a_200000101388_100000211595 [0,1,0,1,0,0|1,0,0]=3 17635 B13R1.2917 CCSCCNC(=O)CCC1CC1 11a_100000106463_100000756386 [0,1,0,1,0,0|1,0,0]=3 17636 B13R1.2917 CCSCCNC(=O)CCC1CC1 1626a_100000106463_100000756386 [0,1,0,1,0,0|1,0,0]=3 17637 B13R1.2917 CCSCCNC(=O)CCC1CC1 240690a_100000106463_100000756386 [0,1,0,1,0,0|1,0,0]=3 17638 B13R1.2917 CCSCCNC(=O)CCC1CC1 527a_100000106463_100000756386 [0,1,0,1,0,0|1,0,0]=3 17639 B13R1.2917 CCSCCNC(=O)NCC1CC1 2708a_100000106463_100000735609 [0,1,0,1,0,0|2,0,0]=4 17640 B13R1.2917 CCSCCNC(=O)NCC1CC1 2708a_100000735609_100000106463 [0,1,0,1,0,0|2,0,0]=4 17641 B13R1.2917 CCSCCNC(=O)NCC1CC1 273464a_100000106463_100000735609 [0,1,0,1,0,0|2,0,0]=4 17642 B13R1.2917 CCSCCNC(=O)NCC1CC1 273464a_100000735609_100000106463 [0,1,0,1,0,0|2,0,0]=4 17643 B13R1.2917 CCSCCNC(=O)NCC1CC1 512a_100000106463_100000735609 [0,1,0,1,0,0|2,0,0]=4 17644 B13R1.2917 CCSCCNC(=O)NCC1CC1 512a_100000735609_100000106463 [0,1,0,1,0,0|2,0,0]=4 17645 B13R1.2917 COCCCCC(=O)C=CC1CC1 1458a_100102529529_100000755781 [0,1,0,1,0,0|1,0,1]=4 17646 B13R1.2917 COCCCCC(=O)CCC1CC1 1458a_100000756386_100000755781 [0,1,0,1,0,0|1,0,0]=3 17647 B13R1.2917 COCCCNC(=O)CCC1CC1 1626a_100150723488_100000756386 [0,1,0,1,0,0|1,0,0]=3 17648 B13R1.2917 COCCCNC(=O)CCC1CC1 240690a_100150723488_100000756386 [0,1,0,1,0,0|1,0,0]=3 17649 B13R1.2917 COCCCNC(=O)CCC1CC1 527a_100150723488_100000756386 [0,1,0,1,0,0|1,0,0]=3 17650 B13R1.2917 COCCCNC(=O)CNC1CC1 34a_100000212008_100000183178 [0,1,0,1,0,0|2,0,0]=4 17651 B13R1.2917 COCCCNC(=O)CSC1CC1 62a_100000183178_100000211595 [0,1,0,1,0,0|2,0,0]=4 17652 B13R1.2917 COCCCNC(=O)NCC1CC1 2708a_100000735609_100150723488 [0,1,0,1,0,0|2,0,0]=4 17653 B13R1.2917 COCCCNC(=O)NCC1CC1 2708a_100150723488_100000735609 [0,1,0,1,0,0|2,0,0]=4 17654 B13R1.2917 COCCCNC(=O)NCC1CC1 273464a_100000735609_100150723488 [0,1,0,1,0,0|2,0,0]=4 17655 B13R1.2917 COCCCNC(=O)NCC1CC1 273464a_100150723488_100000735609 [0,1,0,1,0,0|2,0,0]=4 17656 B13R1.2917 COCCCNC(=O)NCC1CC1 512a_100000735609_100150723488 [0,1,0,1,0,0|2,0,0]=4 17657 B13R1.2917 COCCNNC(=O)CCC1CC1 22a_100000741390_100000756386 [0,1,0,1,0,0|2,0,0]=4 17658 B13R1.2917 COCCOCC(=O)CCC1CC1 1458a_100000211095_100000694398 [0,1,0,1,0,0|1,0,0]=3 17659 B13R1.2917 COCCOCC(=O)CCC1CO1 1458a_100000211095_100000732470 [0,1,0,1,0,0|2,0,0]=4 17660 B13R1.2917 COCCOCC(=O)NCC1CC1 11a_100000735609_100000211095 [0,1,0,1,0,0|2,0,0]=4 17661 B13R1.2917 COCCOCC(=O)NCC1CC1 1626a_100000735609_100000211095 [0,1,0,1,0,0|2,0,0]=4 17662 B13R1.2917 COCCOCC(=O)NCC1CC1 240690a_100000735609_100000211095 [0,1,0,1,0,0|2,0,0]=4 17663 B13R1.2917 COCCOCC(=O)NCC1CC1 527a_100000735609_100000211095 [0,1,0,1,0,0|2,0,0]=4 17664 B13R1.2917 CSCCCNC(=O)CCC1CC1 11a_100000749238_100000756386 [0,1,0,1,0,0|1,0,0]=3 17665 B13R1.2917 CSCCCNC(=O)CCC1CC1 1626a_100000749238_100000756386 [0,1,0,1,0,0|1,0,0]=3 17666 B13R1.2917 CSCCCNC(=O)CCC1CC1 240690a_100000749238_100000756386 [0,1,0,1,0,0|1,0,0]=3 17667 B13R1.2917 CSCCCNC(=O)CCC1CC1 527a_100000749238_100000756386 [0,1,0,1,0,0|1,0,0]=3 17668 B13R1.2917 CSCCCNC(=O)NCC1CC1 2708a_100000735609_100000749238 [0,1,0,1,0,0|2,0,0]=4 17669 B13R1.2917 CSCCCNC(=O)NCC1CC1 2708a_100000749238_100000735609 [0,1,0,1,0,0|2,0,0]=4 17670 B13R1.2917 CSCCCNC(=O)NCC1CC1 273464a_100000735609_100000749238 [0,1,0,1,0,0|2,0,0]=4 17671 B13R1.2917 CSCCCNC(=O)NCC1CC1 273464a_100000749238_100000735609 [0,1,0,1,0,0|2,0,0]=4 17672 B13R1.2917 CSCCCNC(=O)NCC1CC1 512a_100000735609_100000749238 [0,1,0,1,0,0|2,0,0]=4 17673 B13R1.2917 CSCCCNC(=O)NCC1CC1 512a_100000749238_100000735609 [0,1,0,1,0,0|2,0,0]=4 17674 B13R1.2917 N#CCCCCC(=O)CCC1CC1 1458a_100000756386_100000211819 [0,1,0,1,0,0|1,0,1]=4 17675 B13R1.2917 O=C(C=CC1CC1)CCCCCF 1458a_100102529529_100000729378 [0,1,0,1,0,0|1,0,1]=4 17676 B13R1.2917 O=C(C=CC1CC1)CCCCCO 1458a_100102529529_100000746330 [0,1,0,1,0,0|1,0,1]=4 17677 B13R1.2917 O=C(CCC1CC1)NCCCCO 240690a_100000750430_100000756386 [0,1,0,1,0,0|1,0,0]=3 17678 B13R1.2917 O=C(CCC1CC1)NCCCCO 527a_100000750430_100000756386 [0,1,0,1,0,0|1,0,0]=3 17679 B13R1.2917 O=C(CCCCCF)CCC1CC1 1458a_100000756386_100000729378 [0,1,0,1,0,0|1,0,0]=3 17680 B13R1.2917 O=C(CCCCCO)CCC1CC1 1458a_100000756386_100000746330 [0,1,0,1,0,0|1,0,0]=3 17681 B13R1.2917 O=C(CCCCCO)CCC1CC1 1458a_100102619762_100000694398 [0,1,0,1,0,0|1,0,0]=3 17682 B13R1.2917 O=C(CCCCCO)CCC1CO1 1458a_100102619762_100000732470 [0,1,0,1,0,0|2,0,0]=4 17683 B13R1.2917 O=C(CCCCCO)NCC1CC1 240690a_100000735609_100102619762 [0,1,0,1,0,0|1,0,0]=3 17684 B13R1.2917 O=C(CCCCCO)NNC1CC1 22a_100000701032_100102619762 [0,1,0,1,0,0|2,0,0]=4 17685 B13R1.2917 O=C(CCOCCO)CCC1CC1 1458a_100000756386_100011215305 [0,1,0,1,0,0|2,0,0]=4 17686 B13R1.2917 O=C(CCOCCO)CCC1CC1 1458a_100011229844_100000694398 [0,1,0,1,0,0|2,0,0]=4 17687 B13R1.2917 O=C(CCOCCO)NCC1CC1 1626a_100000735609_100011229844 [0,1,0,1,0,0|2,0,0]=4 17688 B13R1.2917 O=C(CCOCCO)NCC1CC1 240690a_100000735609_100011229844 [0,1,0,1,0,0|2,0,0]=4 17689 B13R1.2917 O=C(NCCCCO)NCC1CC1 2708a_100000735609_100000750430 [0,1,0,1,0,0|2,0,0]=4 17690 B13R1.2917 O=C(NCCCCO)NCC1CC1 2708a_100000750430_100000735609 [0,1,0,1,0,0|2,0,0]=4 17691 B13R1.2917 O=C(NCCCCO)NCC1CC1 273464a_100000735609_100000750430 [0,1,0,1,0,0|2,0,0]=4 17692 B13R1.2917 O=C(NCCCCO)NCC1CC1 273464a_100000750430_100000735609 [0,1,0,1,0,0|2,0,0]=4 17693 B13R1.2917 O=C(NCCCCO)NCC1CC1 512a_100000735609_100000750430 [0,1,0,1,0,0|2,0,0]=4 17694 B13R1.2917 O=C(NCCCCO)NCC1CC1 512a_100000750430_100000735609 [0,1,0,1,0,0|2,0,0]=4 17695 B13R1.2918 C#CCCCCC(=O)N1CCC1C 11a_100000755817_100000696528 [0,1,0,1,0,0|1,0,1]=4 17696 B13R1.2918 C#CCCCCC(=O)N1CCC1C 240690a_100000755817_100000696528 [0,1,0,1,0,0|1,0,1]=4 17697 B13R1.2918 C#CCCCCC(=O)N1CCC1C 527a_100000755817_100000696528 [0,1,0,1,0,0|1,0,1]=4 17698 B13R1.2918 C=CCCCCC(=O)N1CCC1C 11a_100000755817_100011215552 [0,1,0,1,0,0|1,0,1]=4 17699 B13R1.2918 C=CCCCCC(=O)N1CCC1C 240690a_100000755817_100011215552 [0,1,0,1,0,0|1,0,1]=4 17700 B13R1.2918 C=CCCCCC(=O)N1CCC1C 527a_100000755817_100011215552 [0,1,0,1,0,0|1,0,1]=4 17701 B13R1.2918 CC1CCN1C(=O)CCCCCO 240690a_100000755817_100102619762 [0,1,0,1,0,0|1,0,0]=3 17702 B13R1.2918 CC1CCN1C(=O)CCOCCO 240690a_100000755817_100011229844 [0,1,0,1,0,0|2,0,0]=4 17703 B13R1.2918 CC1CCN1C(=O)NCCCCO 2708a_100000750430_100000755817 [0,1,0,1,0,0|2,0,0]=4 17704 B13R1.2918 CC1CCN1C(=O)NCCCCO 273464a_100000750430_100000755817 [0,1,0,1,0,0|2,0,0]=4 17705 B13R1.2918 CCC/C=C/CC(=O)N1CCC1C 11a_100000755817_200016266809 [0,1,0,1,0,0|1,0,1]=4 17706 B13R1.2918 CCC/C=C/CC(=O)N1CCC1C 240690a_100000755817_200016266809 [0,1,0,1,0,0|1,0,1]=4 17707 B13R1.2918 CCC/C=C/CC(=O)N1CCC1C 527a_100000755817_200016266809 [0,1,0,1,0,0|1,0,1]=4 17708 B13R1.2918 CCCCC=CC(=O)N1CCC1C 11a_100000755817_100016266645 [0,1,0,1,0,0|1,0,1]=4 17709 B13R1.2918 CCCCC=CC(=O)N1CCC1C 240690a_100000755817_100016266645 [0,1,0,1,0,0|1,0,1]=4 17710 B13R1.2918 CCCCCCC(=O)N1CCC1C 11a_100000755817_100102632555 [0,1,0,1,0,0|1,0,0]=3 17711 B13R1.2918 CCCCCCC(=O)N1CCC1C 240690a_100000755817_100102632555 [0,1,0,1,0,0|1,0,0]=3 17712 B13R1.2918 CCCCCCC(=O)N1CCC1C 527a_100000755817_100102632555 [0,1,0,1,0,0|1,0,0]=3 17713 B13R1.2918 CCCCCNC(=O)N1CCC1C 2708a_100000209983_100000755817 [0,1,0,1,0,0|1,0,0]=3 17714 B13R1.2918 CCCCCNC(=O)N1CCC1C 273464a_100000209983_100000755817 [0,1,0,1,0,0|1,0,0]=3 17715 B13R1.2918 CCCCOCC(=O)C1CCC1=O 1458a_100000757543_100009892977 [0,1,0,1,0,0|1,0,1]=4 17716 B13R1.2918 CCCCOCC(=O)N1CCC1C 11a_100000755817_100000757543 [0,1,0,1,0,0|1,0,0]=3 17717 B13R1.2918 CCCCOCC(=O)N1CCC1C 240690a_100000755817_100000757543 [0,1,0,1,0,0|1,0,0]=3 17718 B13R1.2918 CCCCOCC(=O)N1CCC1C 527a_100000755817_100000757543 [0,1,0,1,0,0|1,0,0]=3 17719 B13R1.2918 CCCCSCC(=O)N1CCC1C 11a_100000755817_100000191162 [0,1,0,1,0,0|1,0,0]=3 17720 B13R1.2918 CCCCSCC(=O)N1CCC1C 240690a_100000755817_100000191162 [0,1,0,1,0,0|1,0,0]=3 17721 B13R1.2918 CCCCSCC(=O)N1CCC1C 527a_100000755817_100000191162 [0,1,0,1,0,0|1,0,0]=3 17722 B13R1.2918 CCOCCNC(=O)N1CCC1C 2708a_100011200944_100000755817 [0,1,0,1,0,0|2,0,0]=4 17723 B13R1.2918 CCOCCNC(=O)N1CCC1C 273464a_102516460346_100000755817 [0,1,0,1,0,0|2,0,0]=4 17724 B13R1.2918 CCSCCNC(=O)N1CCC1C 2708a_100000106463_100000755817 [0,1,0,1,0,0|2,0,0]=4 17725 B13R1.2918 CCSCCNC(=O)N1CCC1C 273464a_100000106463_100000755817 [0,1,0,1,0,0|2,0,0]=4 17726 B13R1.2918 COCCCNC(=O)N1CCC1C 2708a_100150723488_100000755817 [0,1,0,1,0,0|2,0,0]=4 17727 B13R1.2918 COCCCNC(=O)N1CCC1C 273464a_100150723488_100000755817 [0,1,0,1,0,0|2,0,0]=4 17728 B13R1.2918 COCCOCC(=O)N1CCC1C 11a_100000755817_100000211095 [0,1,0,1,0,0|2,0,0]=4 17729 B13R1.2918 COCCOCC(=O)N1CCC1C 240690a_100000755817_100000211095 [0,1,0,1,0,0|2,0,0]=4 17730 B13R1.2918 COCCOCC(=O)N1CCC1C 527a_100000755817_100000211095 [0,1,0,1,0,0|2,0,0]=4 17731 B13R1.2918 CSCCCNC(=O)N1CCC1C 2708a_100000749238_100000755817 [0,1,0,1,0,0|2,0,0]=4 17732 B13R1.2918 CSCCCNC(=O)N1CCC1C 273464a_100000749238_100000755817 [0,1,0,1,0,0|2,0,0]=4 17733 B13R1.3537 CCCCCC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_200012276598 [0,1,0,1,0,0|2,0,0]=4 17734 B13R1.3537 CCCCCC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_200012276598 [0,1,0,1,0,0|2,0,0]=4 17735 B13R1.3537 CCCCCC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_200012276598 [0,1,0,1,0,0|2,0,0]=4 17736 B13R1.3537 CCCCCC(C)OCC1CC1C 34a_100000744939_200011218191 [0,1,0,1,0,0|1,0,1]=4 17737 B13R1.3537 CCCCCC(C)OCC1CC1C 7a_100000744939_200011218191 [0,1,0,1,0,0|1,0,1]=4 17738 B13R1.3537 CCCCNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000182744 [0,1,0,1,0,0|2,0,0]=4 17739 B13R1.3537 CCCCNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000182744 [0,1,0,1,0,0|2,0,0]=4 17740 B13R1.3537 CCCCNC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000182744 [0,1,0,1,0,0|2,0,0]=4 17741 B13R1.3537 CCCCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000211628 [0,1,0,1,0,0|1,0,0]=3 17742 B13R1.3537 CCCCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000211628 [0,1,0,1,0,0|1,0,0]=3 17743 B13R1.3537 CCCCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000211628 [0,1,0,1,0,0|1,0,0]=3 17744 B13R1.3537 COCCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000040189 [0,1,0,1,0,0|2,0,0]=4 17745 B13R1.3537 COCCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_200000040189 [0,1,0,1,0,0|2,0,0]=4 17746 B13R1.3537 COCCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_200000040189 [0,1,0,1,0,0|2,0,0]=4 17747 B13R1.3538 CCCCCC(=O)CN1CCC1C 269982a_100000755817_200012276598 [0,1,0,1,0,0|1,0,0]=3 17748 B13R1.3538 CCCCCC(=O)CN1CCC1C 34a_100000755817_200012276598 [0,1,0,1,0,0|1,0,0]=3 17749 B13R1.3538 CCCCNC(=O)CN1CCC1C 269982a_100000755817_100000182744 [0,1,0,1,0,0|1,0,0]=3 17750 B13R1.3538 CCCCNC(=O)CN1CCC1C 34a_100000755817_100000182744 [0,1,0,1,0,0|1,0,0]=3 17751 B13R1.3538 CCCCOC(=O)CN1CCC1C 269982a_100000755817_100000211628 [0,1,0,1,0,0|0,0,0]=2 17752 B13R1.3538 CCCCOC(=O)CN1CCC1C 34a_100000755817_100000211628 [0,1,0,1,0,0|0,0,0]=2 17753 B13R1.3538 COCCNC(=O)CN1CCC1C 269982a_100000755817_100000183275 [0,1,0,1,0,0|2,0,0]=4 17754 B13R1.3538 COCCNC(=O)CN1CCC1C 34a_100000755817_100000183275 [0,1,0,1,0,0|2,0,0]=4 17755 B13R1.3538 COCCOC(=O)CN1CCC1C 269982a_100000755817_200000040189 [0,1,0,1,0,0|1,0,0]=3 17756 B13R1.3538 COCCOC(=O)CN1CCC1C 34a_100000755817_200000040189 [0,1,0,1,0,0|1,0,0]=3 17757 B13R1.3674 CC1(CCCCC1)OCCCCF 34a_100011215885_100000729493 [0,1,0,1,0,0|1,0,1]=4 17758 B13R1.3674 CC1(CCCCC1)OCCCCF 7a_100011215885_100000729493 [0,1,0,1,0,0|1,0,1]=4 17759 B13R1.3674 CC1(CCCCC1)OCCCCO 34a_100011215885_100011216708 [0,1,0,1,0,0|1,0,1]=4 17760 B13R1.3674 CC1(CCCCC1)OCCCCO 7a_100011215885_100000210776 [0,1,0,1,0,0|1,0,1]=4 17761 B13R1.3674 CCCCCOC1(CCCCC1)C 34a_100011215885_100000718602 [0,1,0,1,0,0|1,0,1]=4 17762 B13R1.3674 CCCCCOC1(CCCCC1)C 7a_100011215885_100000210326 [0,1,0,1,0,0|1,0,1]=4 17763 B13R1.3674 CCCCOCC1(CCCCC1)C 34a_100000688186_100000210210 [0,1,0,1,0,0|1,0,1]=4 17764 B13R1.3674 CCCCOCC1(CCCCC1)C 7a_100000688186_100000210211 [0,1,0,1,0,0|1,0,1]=4 17765 B13R1.3674 CCCCOCC1(CCCCC1)F 34a_100000090305_100000210210 [0,1,0,1,0,0|1,0,1]=4 17766 B13R1.3674 CCCCOCC1(CCCCC1)F 7a_100000090305_100000210211 [0,1,0,1,0,0|1,0,1]=4 17767 B13R1.3674 CCCCOCC1(CCCCC1)N 34a_100000740034_100000210210 [0,1,0,1,0,0|1,0,1]=4 17768 B13R1.3674 CCOCCOC1(CCCCC1)C 34a_100011215885_100000210147 [0,1,0,1,0,0|1,0,1]=4 17769 B13R1.3674 CCOCCOC1(CCCCC1)C 7a_100011215885_100011215890 [0,1,0,1,0,0|1,0,1]=4 17770 B13R1.3674 CCSCCOC1(CCCCC1)C 34a_100011215885_100000757381 [0,1,0,1,0,0|1,0,1]=4 17771 B13R1.3674 CCSCCOC1(CCCCC1)C 7a_100011215885_100000757381 [0,1,0,1,0,0|1,0,1]=4 17772 B13R1.3674 COCCCOC1(CCCCC1)C 34a_100011215885_100000740836 [0,1,0,1,0,0|1,0,1]=4 17773 B13R1.3674 COCCCOC1(CCCCC1)C 7a_100011215885_100000740836 [0,1,0,1,0,0|1,0,1]=4 17774 B13R1.8919 CCCCOC1C(=O)CCCC1=O 7a_100000210227_100009814513 [0,1,0,1,0,0|1,0,1]=4 17775 B13R1.8919 CCCCOC1C(CCCC1C)C 34a_100011218088_100000210210 [0,1,0,1,0,0|1,0,1]=4 17776 B13R1.8919 CCCCOC1C(CCCC1C)C 7a_100011218088_100000210211 [0,1,0,1,0,0|1,0,1]=4 17777 B13R1.8919 CCCNCC1C(=CCCC1C)C 270004a_100020643023_100000066159 [0,1,0,1,0,0|2,0,0]=4 17778 B13R1.16 CCCCOC1CCCC(C1C)C 34a_100011217532_100000210210 [0,1,0,1,0,0|1,0,1]=4 17779 B13R1.16 CCCCOC1CCCC(C1C)C 7a_100011217532_100000210211 [0,1,0,1,0,0|1,0,1]=4 17780 B13R1.371 CCCCOC1CCC(CC1)CC 34a_100011215326_100000210210 [0,1,0,1,0,0|1,0,1]=4 17781 B13R1.371 CCCCOC1CCC(CC1)CC 7a_100011215326_100000210211 [0,1,0,1,0,0|1,0,1]=4 17782 B13R1.3400 C#CC(CCCCC)OC1CCC1 34a_100011216489_100000749161 [0,1,0,1,0,0|1,0,1]=4 17783 B13R1.3400 C=CC(CCCCC)OC1CCC1 34a_100011216863_100000749161 [0,1,0,1,0,0|1,0,1]=4 17784 B13R1.3400 CCCCCC(CC)OC1CCC1 34a_100011215405_100000749161 [0,1,0,1,0,0|1,0,1]=4 17785 B13R1.3401 C#CC(CCCCC)OCC1CC1 34a_100011216489_100000742324 [0,1,0,1,0,0|1,0,1]=4 17786 B13R1.3401 C#CC(CCCCC)OCC1CC1 7a_100011216489_100000742324 [0,1,0,1,0,0|1,0,1]=4 17787 B13R1.3401 C=CC(CCCCC)OCC1CC1 34a_100011216863_100000742324 [0,1,0,1,0,0|1,0,1]=4 17788 B13R1.3401 C=CC(CCCCC)OCC1CC1 7a_100011216863_100000742324 [0,1,0,1,0,0|1,0,1]=4 17789 B13R1.3401 CCCCCC(CC)OCC1CC1 34a_100011215405_100000742324 [0,1,0,1,0,0|1,0,1]=4 17790 B13R1.3401 CCCCCC(CC)OCC1CC1 7a_100011215405_100000742324 [0,1,0,1,0,0|1,0,1]=4 17791 B13R1.8938 C#CC1(CCCCC1)OCCCC 34a_100011215672_100000210210 [0,1,0,1,0,0|1,0,1]=4 17792 B13R1.8938 C#CC1(CCCCC1)OCCCC 7a_100011215672_100000210211 [0,1,0,1,0,0|1,0,1]=4 17793 B13R1.8938 C=CC1(CCCCC1)OCCCC 34a_200011934219_100000210210 [0,1,0,1,0,0|1,0,1]=4 17794 B13R1.8938 C=CC1(CCCCC1)OCCCC 7a_200011934219_100000210211 [0,1,0,1,0,0|1,0,1]=4 17795 B13R1.8938 CCCCOC1(CCCCC1)CC 34a_100011216009_100000210210 [0,1,0,1,0,0|1,0,1]=4 17796 B13R1.8938 CCCCOC1(CCCCC1)CC 7a_100011216009_100000210211 [0,1,0,1,0,0|1,0,1]=4 17797 B13R1.8938 CCCCOC1(CCCCC1)CN 34a_100000748649_100000210210 [0,1,0,1,0,0|1,0,1]=4 17798 B13R1.15 CCC(C)COC1CCCC(C1)C 34a_100000211399_100000748023 [0,1,0,1,0,0|1,0,1]=4 17799 B13R1.15 CCC(O)COC1CCCC(C1)C 34a_100000211399_100011218378 [0,1,0,1,0,0|1,0,1]=4 17800 B13R1.15 CC[C@H](C)COC1CCCC(C1)C 34a_100000211399_100009816398 [0,1,0,1,0,0|1,0,1]=4 17801 B13R1.23 CCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210326 [0,1,0,1,0,0|1,0,0]=3 17802 B13R1.23 CCCCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210326 [0,1,0,1,0,0|2,0,0]=4 17803 B13R1.23 CCCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000212188 [0,1,0,1,0,0|1,0,0]=3 17804 B13R1.23 CCCCCC(=O)N1CCC(C1)O 527a_100011215560_100000212188 [0,1,0,1,0,0|1,0,0]=3 17805 B13R1.23 CCCCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000212188 [0,1,0,1,0,0|1,0,0]=3 17806 B13R1.23 CCCCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000212188 [0,1,0,1,0,0|1,0,0]=3 17807 B13R1.23 CCCCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000212188 [0,1,0,1,0,0|1,0,0]=3 17808 B13R1.23 CCCCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000212188 [0,1,0,1,0,0|1,0,0]=3 17809 B13R1.23 CCCCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000212188 [0,1,0,1,0,0|1,0,0]=3 17810 B13R1.23 CCCCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000212188 [0,1,0,1,0,0|1,0,0]=3 17811 B13R1.23 CCCCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000212188 [0,1,0,1,0,0|1,0,0]=3 17812 B13R1.23 CCCCNC(=O)C1CCC(C1)O 1626a_100000102301_100000688591 [0,1,0,1,0,0|1,0,0]=3 17813 B13R1.23 CCCCNC(=O)C1CCC(C1)O 240690a_100000102301_100000688591 [0,1,0,1,0,0|1,0,0]=3 17814 B13R1.23 CCCCNC(=O)C1CCN(C1)C 240690a_100000102301_100000739633 [0,1,0,1,0,0|2,0,0]=4 17815 B13R1.23 CCCCNC(=O)C1CCN(C1)C 527a_100000102301_100000739633 [0,1,0,1,0,0|2,0,0]=4 17816 B13R1.23 CCCCNC(=O)N1CCC(C1)O 2708a_100000102301_100011215560 [0,1,0,1,0,0|2,0,0]=4 17817 B13R1.23 CCCCNC(=O)N1CCC(C1)O 273464a_100000102301_100011215560 [0,1,0,1,0,0|2,0,0]=4 17818 B13R1.23 CCCCNC(=O)N1CC[C@@H](C1)F 2708a_100000102301_100015203821 [0,1,0,1,0,0|2,0,0]=4 17819 B13R1.23 CCCCNC(=O)N1CC[C@@H](C1)F 273464a_100000102301_100015203821 [0,1,0,1,0,0|2,0,0]=4 17820 B13R1.23 CCCCNC(=O)N1CC[C@H](C1)C 2708a_100000102301_100016987628 [0,1,0,1,0,0|2,0,0]=4 17821 B13R1.23 CCCCNC(=O)N1CC[C@H](C1)C 273464a_100000102301_100016987628 [0,1,0,1,0,0|2,0,0]=4 17822 B13R1.23 CCCNNC(=O)C1CCC(C1)O 22a_100000740057_100000688591 [0,1,0,1,0,0|2,0,0]=4 17823 B13R1.23 CCCOCC(=O)N1CCC(C1)O 240690a_100011215560_100000745993 [0,1,0,1,0,0|2,0,0]=4 17824 B13R1.23 CCCOCC(=O)N1CCC(C1)O 527a_100011215560_100000745993 [0,1,0,1,0,0|2,0,0]=4 17825 B13R1.23 CCCOCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000745993 [0,1,0,1,0,0|2,0,0]=4 17826 B13R1.23 CCCOCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000745993 [0,1,0,1,0,0|2,0,0]=4 17827 B13R1.23 CCCOCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000745993 [0,1,0,1,0,0|2,0,0]=4 17828 B13R1.23 CCCOCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000745993 [0,1,0,1,0,0|2,0,0]=4 17829 B13R1.23 CCCOCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000745993 [0,1,0,1,0,0|2,0,0]=4 17830 B13R1.23 CCCOCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000745993 [0,1,0,1,0,0|2,0,0]=4 17831 B13R1.23 CCCOCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000745993 [0,1,0,1,0,0|2,0,0]=4 17832 B13R1.23 CCCSCC(=O)N1CCC(C1)O 240690a_100011215560_100000217233 [0,1,0,1,0,0|2,0,0]=4 17833 B13R1.23 CCCSCC(=O)N1CCC(C1)O 527a_100011215560_100000217233 [0,1,0,1,0,0|2,0,0]=4 17834 B13R1.23 CCCSCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000217233 [0,1,0,1,0,0|2,0,0]=4 17835 B13R1.23 CCCSCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000217233 [0,1,0,1,0,0|2,0,0]=4 17836 B13R1.23 CCCSCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000217233 [0,1,0,1,0,0|2,0,0]=4 17837 B13R1.23 CCCSCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000217233 [0,1,0,1,0,0|2,0,0]=4 17838 B13R1.23 CCCSCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000217233 [0,1,0,1,0,0|2,0,0]=4 17839 B13R1.23 CCCSCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000217233 [0,1,0,1,0,0|2,0,0]=4 17840 B13R1.23 CCCSCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000217233 [0,1,0,1,0,0|2,0,0]=4 17841 B13R1.23 CCOCCC(=O)C1CCC(C1)O 1458a_100000688591_100011215890 [0,1,0,1,0,0|2,0,0]=4 17842 B13R1.23 CCOCCC(=O)N1CCC(C1)O 240690a_100011215560_100000749530 [0,1,0,1,0,0|2,0,0]=4 17843 B13R1.23 CCOCCC(=O)N1CCC(C1)O 527a_100011215560_100000749530 [0,1,0,1,0,0|2,0,0]=4 17844 B13R1.23 CCOCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000749530 [0,1,0,1,0,0|2,0,0]=4 17845 B13R1.23 CCOCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000749530 [0,1,0,1,0,0|2,0,0]=4 17846 B13R1.23 CCOCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000749530 [0,1,0,1,0,0|2,0,0]=4 17847 B13R1.23 CCOCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000749530 [0,1,0,1,0,0|2,0,0]=4 17848 B13R1.23 CCOCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000749530 [0,1,0,1,0,0|2,0,0]=4 17849 B13R1.23 CCOCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000749530 [0,1,0,1,0,0|2,0,0]=4 17850 B13R1.23 CCOCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000749530 [0,1,0,1,0,0|2,0,0]=4 17851 B13R1.23 CCSCCC(=O)C1CCC(C1)O 1458a_100000688591_100000757381 [0,1,0,1,0,0|2,0,0]=4 17852 B13R1.23 CCSCCC(=O)N1CCC(C1)O 240690a_100011215560_100000230768 [0,1,0,1,0,0|2,0,0]=4 17853 B13R1.23 CCSCCC(=O)N1CCC(C1)O 527a_100011215560_100000230768 [0,1,0,1,0,0|2,0,0]=4 17854 B13R1.23 CCSCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000230768 [0,1,0,1,0,0|2,0,0]=4 17855 B13R1.23 CCSCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000230768 [0,1,0,1,0,0|2,0,0]=4 17856 B13R1.23 CCSCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000230768 [0,1,0,1,0,0|2,0,0]=4 17857 B13R1.23 CCSCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000230768 [0,1,0,1,0,0|2,0,0]=4 17858 B13R1.23 CCSCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000230768 [0,1,0,1,0,0|2,0,0]=4 17859 B13R1.23 CCSCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000230768 [0,1,0,1,0,0|2,0,0]=4 17860 B13R1.23 CCSCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000230768 [0,1,0,1,0,0|2,0,0]=4 17861 B13R1.23 COCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000740836 [0,1,0,1,0,0|2,0,0]=4 17862 B13R1.23 COCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000741012 [0,1,0,1,0,0|2,0,0]=4 17863 B13R1.23 COCCCC(=O)N1CCC(C1)O 527a_100011215560_100000741012 [0,1,0,1,0,0|2,0,0]=4 17864 B13R1.23 COCCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000741012 [0,1,0,1,0,0|2,0,0]=4 17865 B13R1.23 COCCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000741012 [0,1,0,1,0,0|2,0,0]=4 17866 B13R1.23 COCCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000741012 [0,1,0,1,0,0|2,0,0]=4 17867 B13R1.23 COCCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000741012 [0,1,0,1,0,0|2,0,0]=4 17868 B13R1.23 COCCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000741012 [0,1,0,1,0,0|2,0,0]=4 17869 B13R1.23 COCCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000741012 [0,1,0,1,0,0|2,0,0]=4 17870 B13R1.23 COCCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000741012 [0,1,0,1,0,0|2,0,0]=4 17871 B13R1.23 COCCNC(=O)C1CCC(C1)O 1626a_100000209980_100000688591 [0,1,0,1,0,0|2,0,0]=4 17872 B13R1.23 COCCNC(=O)C1CCC(C1)O 240690a_100000209980_100000688591 [0,1,0,1,0,0|2,0,0]=4 17873 B13R1.23 CSCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000173376 [0,1,0,1,0,0|2,0,0]=4 17874 B13R1.23 CSCCCC(=O)N1CCC(C1)O 527a_100011215560_100000173376 [0,1,0,1,0,0|2,0,0]=4 17875 B13R1.23 CSCCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000173376 [0,1,0,1,0,0|2,0,0]=4 17876 B13R1.23 CSCCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000173376 [0,1,0,1,0,0|2,0,0]=4 17877 B13R1.23 CSCCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000173376 [0,1,0,1,0,0|2,0,0]=4 17878 B13R1.23 CSCCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000173376 [0,1,0,1,0,0|2,0,0]=4 17879 B13R1.23 CSCCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000173376 [0,1,0,1,0,0|2,0,0]=4 17880 B13R1.23 CSCCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000173376 [0,1,0,1,0,0|2,0,0]=4 17881 B13R1.23 CSCCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000173376 [0,1,0,1,0,0|2,0,0]=4 17882 B13R1.23 CSCCNC(=O)C1CCC(C1)O 1626a_100020590264_100000688591 [0,1,0,1,0,0|2,0,0]=4 17883 B13R1.23 CSCCNC(=O)C1CCC(C1)O 240690a_100020590264_100000688591 [0,1,0,1,0,0|2,0,0]=4 17884 B13R1.23 O=C(CCCCF)C1CCC(C1)O 1458a_100000688591_100000729493 [0,1,0,1,0,0|2,0,0]=4 17885 B13R1.23 O=C(CCCCO)C1CCC(C1)O 1458a_100000688591_100000210776 [0,1,0,1,0,0|2,0,0]=4 17886 B13R1.23 O=C(CCCCO)N1CC[C@@H](C1)F 1626a_100015203821_100000695505 [0,1,0,1,0,0|2,0,0]=4 17887 B13R1.23 O=C(NCCCF)C1CCC(C1)O 1626a_100015189416_100000688591 [0,1,0,1,0,0|2,0,0]=4 17888 B13R1.23 O=C(NCCCF)C1CCC(C1)O 240690a_100015189416_100000688591 [0,1,0,1,0,0|2,0,0]=4 17889 B13R1.23 O=C(NCCCO)C1CCC(C1)O 240690a_100000182051_100000688591 [0,1,0,1,0,0|2,0,0]=4 17890 B13R1.162 CC(CO)CNC(=O)C1CCCC1 240690a_100000744482_100000210718 [0,1,0,1,0,0|2,0,0]=4 17891 B13R1.162 CC(CO)CNC(=O)C1CCCC1 527a_100000744482_100000210718 [0,1,0,1,0,0|2,0,0]=4 17892 B13R1.162 CCC(=O)CCC(=O)N1CCCC1 1458a_100000210414_100011194422 [0,1,0,1,0,0|1,0,1]=4 17893 B13R1.162 CCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000210202 [0,1,0,1,0,0|1,0,1]=4 17894 B13R1.162 CCC(C)CCC(=O)C1CCCC1 1458a_100000701222_100000179811 [0,1,0,1,0,0|1,0,0]=3 17895 B13R1.162 CCC(C)CCC(=O)C1CCOC1 1458a_100000701222_100000690089 [0,1,0,1,0,0|2,0,0]=4 17896 B13R1.162 CCC(C)CCC(=O)N1CCCC1 240690a_100000188435_100000701222 [0,1,0,1,0,0|1,0,0]=3 17897 B13R1.162 CCC(C)CCC(=O)N1CCCC1 527a_100000188435_100000701222 [0,1,0,1,0,0|1,0,0]=3 17898 B13R1.162 CCC(C)CCC(=O)N1CCSC1 11a_100011215254_100000701222 [0,1,0,1,0,0|2,0,0]=4 17899 B13R1.162 CCC(C)CCC(=O)N1CCSC1 240690a_100011215254_100000701222 [0,1,0,1,0,0|2,0,0]=4 17900 B13R1.162 CCC(C)CCC(=O)N1CCSC1 527a_100011215254_100000701222 [0,1,0,1,0,0|2,0,0]=4 17901 B13R1.162 CCC(C)CNC(=O)C1CCCC1 11a_100020588543_100000210718 [0,1,0,1,0,0|1,0,0]=3 17902 B13R1.162 CCC(C)CNC(=O)C1CCCC1 1626a_100020588543_100000210718 [0,1,0,1,0,0|1,0,0]=3 17903 B13R1.162 CCC(C)CNC(=O)C1CCCC1 240690a_100020588543_100000210718 [0,1,0,1,0,0|1,0,0]=3 17904 B13R1.162 CCC(C)CNC(=O)C1CCCC1 527a_100020588543_100000210718 [0,1,0,1,0,0|1,0,0]=3 17905 B13R1.162 CCC(C)CNC(=O)C1CCCS1 11a_100020588543_100012002731 [0,1,0,1,0,0|2,0,0]=4 17906 B13R1.162 CCC(C)CNC(=O)C1CCCS1 1626a_100020588543_100012002731 [0,1,0,1,0,0|2,0,0]=4 17907 B13R1.162 CCC(C)CNC(=O)C1CCCS1 240690a_100020588543_100012002731 [0,1,0,1,0,0|2,0,0]=4 17908 B13R1.162 CCC(C)CNC(=O)C1CCCS1 527a_100020588543_100012002731 [0,1,0,1,0,0|2,0,0]=4 17909 B13R1.162 CCC(C)CNC(=O)C1CCOC1 11a_100020588543_100011219752 [0,1,0,1,0,0|2,0,0]=4 17910 B13R1.162 CCC(C)CNC(=O)C1CCOC1 1626a_100020588543_100011219752 [0,1,0,1,0,0|2,0,0]=4 17911 B13R1.162 CCC(C)CNC(=O)C1CCOC1 240690a_100020588543_100011219752 [0,1,0,1,0,0|2,0,0]=4 17912 B13R1.162 CCC(C)CNC(=O)C1CCOC1 527a_100020588543_100011219752 [0,1,0,1,0,0|2,0,0]=4 17913 B13R1.162 CCC(C)CNC(=O)N1CCCC1 2708a_100020588543_100000188435 [0,1,0,1,0,0|2,0,0]=4 17914 B13R1.162 CCC(C)CNC(=O)N1CCCC1 273464a_100020588543_100000188435 [0,1,0,1,0,0|2,0,0]=4 17915 B13R1.162 CCC(C)CNC(=O)[C@@H]1CCCO1 11a_100020588543_100000686382 [0,1,0,1,0,0|2,0,0]=4 17916 B13R1.162 CCC(C)CNC(=O)[C@@H]1CCCO1 1626a_100020588543_100000686382 [0,1,0,1,0,0|2,0,0]=4 17917 B13R1.162 CCC(C)CNC(=O)[C@@H]1CCCO1 240690a_100020588543_100000686382 [0,1,0,1,0,0|2,0,0]=4 17918 B13R1.162 CCC(C)CNC(=O)[C@@H]1CCCO1 527a_100020588543_100000686382 [0,1,0,1,0,0|2,0,0]=4 17919 B13R1.162 CCC(C)COC(C)C1CCCC1 34a_100011216366_100000748023 [0,1,0,1,0,0|1,0,1]=4 17920 B13R1.162 CCC(C)COC(C)C1CCCC1 7a_100011216366_100000748023 [0,1,0,1,0,0|1,0,1]=4 17921 B13R1.162 CCC(C)NCC(=O)N1CCCC1 2230a_100000209981_100000183516 [0,1,0,1,0,0|2,0,0]=4 17922 B13R1.162 CCC(C)NCC(=O)N1CCCC1 2230a_100000751844_100000758301 [0,1,0,1,0,0|2,0,0]=4 17923 B13R1.162 CCC(C)NNC(=O)C1CCCC1 22a_100000718999_100000210718 [0,1,0,1,0,0|2,0,0]=4 17924 B13R1.162 CCC(C)OCC(=O)N1CCCC1 7a_100000210228_100000183516 [0,1,0,1,0,0|2,0,0]=4 17925 B13R1.162 CCC(C)OCC(=O)N1CCCC1 7a_200000752455_100000758301 [0,1,0,1,0,0|2,0,0]=4 17926 B13R1.162 CCC(C)SCC(=O)N1CCCC1 62a_100000183516_100000758301 [0,1,0,1,0,0|2,0,0]=4 17927 B13R1.162 CCC(C)SCC(=O)N1CCCC1 62a_100000758301_100000183516 [0,1,0,1,0,0|2,0,0]=4 17928 B13R1.162 CCC(O)CCC(=O)N1CCCC1 240690a_100000188435_203496584001 [0,1,0,1,0,0|1,0,0]=3 17929 B13R1.162 CCC(O)CCC(=O)N1CCSC1 240690a_100011215254_203496584001 [0,1,0,1,0,0|2,0,0]=4 17930 B13R1.162 CCC(O)CNC(=O)C1CCCC1 11a_100011218483_100000210718 [0,1,0,1,0,0|1,0,0]=3 17931 B13R1.162 CCC(O)CNC(=O)C1CCCC1 240690a_100011218483_100000210718 [0,1,0,1,0,0|1,0,0]=3 17932 B13R1.162 CCC(O)CNC(=O)C1CCCC1 527a_100011218483_100000210718 [0,1,0,1,0,0|1,0,0]=3 17933 B13R1.162 CCC(O)CNC(=O)C1CCCS1 11a_100011218483_100012002731 [0,1,0,1,0,0|2,0,0]=4 17934 B13R1.162 CCC(O)CNC(=O)C1CCCS1 240690a_100011218483_100012002731 [0,1,0,1,0,0|2,0,0]=4 17935 B13R1.162 CCC(O)CNC(=O)C1CCCS1 527a_100011218483_100012002731 [0,1,0,1,0,0|2,0,0]=4 17936 B13R1.162 CCC(O)CNC(=O)C1CCOC1 11a_100011218483_100011219752 [0,1,0,1,0,0|2,0,0]=4 17937 B13R1.162 CCC(O)CNC(=O)C1CCOC1 240690a_100011218483_100011219752 [0,1,0,1,0,0|2,0,0]=4 17938 B13R1.162 CCC(O)CNC(=O)C1CCOC1 527a_100011218483_100011219752 [0,1,0,1,0,0|2,0,0]=4 17939 B13R1.162 CCC(O)CNC(=O)N1CCCC1 273464a_100011218483_100000188435 [0,1,0,1,0,0|2,0,0]=4 17940 B13R1.162 CCC(O)CNC(=O)[C@@H]1CCCO1 11a_100011218483_100000686382 [0,1,0,1,0,0|2,0,0]=4 17941 B13R1.162 CCC(O)CNC(=O)[C@@H]1CCCO1 240690a_100011218483_100000686382 [0,1,0,1,0,0|2,0,0]=4 17942 B13R1.162 CCC(O)CNC(=O)[C@@H]1CCCO1 527a_100011218483_100000686382 [0,1,0,1,0,0|2,0,0]=4 17943 B13R1.162 CCC(O)COC(C)C1CCCC1 34a_100011216366_100011218378 [0,1,0,1,0,0|1,0,1]=4 17944 B13R1.162 CCC(O)COC(C)C1CCCC1 7a_100011216366_100011218378 [0,1,0,1,0,0|1,0,1]=4 17945 B13R1.162 CCN(C)CCC(=O)C1CCCC1 1458a_100000755305_100000179811 [0,1,0,1,0,0|2,0,0]=4 17946 B13R1.162 CCN(C)CCC(=O)N1CCCC1 2230a_100000225621_100011194422 [0,1,0,1,0,0|2,0,0]=4 17947 B13R1.162 CCN(C)CCC(=O)N1CCCC1 240690a_100000188435_100000755305 [0,1,0,1,0,0|2,0,0]=4 17948 B13R1.162 CCN(C)CCC(=O)N1CCCC1 269982a_100000225621_100011194422 [0,1,0,1,0,0|2,0,0]=4 17949 B13R1.162 CCS(=O)CCC(=O)C1CCCC1 1458a_100011387550_100000179811 [0,1,0,1,0,0|2,0,0]=4 17950 B13R1.162 CCS(=O)CCC(=O)N1CCCC1 240690a_100000188435_100011387550 [0,1,0,1,0,0|2,0,0]=4 17951 B13R1.162 CCS(=O)CCC(=O)N1CCCC1 527a_100000188435_100011387550 [0,1,0,1,0,0|2,0,0]=4 17952 B13R1.162 CC[C@H](C)COC(C)C1CCCC1 34a_100011216366_100009816398 [0,1,0,1,0,0|1,0,1]=4 17953 B13R1.162 CC[C@H](C)COC(C)C1CCCC1 7a_100011216366_100009816398 [0,1,0,1,0,0|1,0,1]=4 17954 B13R1.162 CO[C@H](C)CNC(=O)C1CCCC1 11a_100020591295_100000210718 [0,1,0,1,0,0|2,0,0]=4 17955 B13R1.162 CO[C@H](C)CNC(=O)C1CCCC1 1626a_100020591295_100000210718 [0,1,0,1,0,0|2,0,0]=4 17956 B13R1.162 CO[C@H](C)CNC(=O)C1CCCC1 240690a_100020591295_100000210718 [0,1,0,1,0,0|2,0,0]=4 17957 B13R1.162 CO[C@H](C)CNC(=O)C1CCCC1 527a_100020591295_100000210718 [0,1,0,1,0,0|2,0,0]=4 17958 B13R1.162 O=C(NC[C@@H](F)CO)C1CCCC1 240690a_100015665980_100000210718 [0,1,0,1,0,0|2,0,0]=4 17959 B13R1.162 O=C(NC[C@@H](F)CO)C1CCCC1 527a_100015665980_100000210718 [0,1,0,1,0,0|2,0,0]=4 17960 B13R1.162 O=C(NC[C@H](O)CO)C1CCCC1 240690a_100020644852_100000210718 [0,1,0,1,0,0|2,0,0]=4 17961 B13R1.162 O=C(NC[C@H](O)CO)C1CCCC1 527a_100020644852_100000210718 [0,1,0,1,0,0|2,0,0]=4 17962 B13R1.527 CCC(=O)CN1CCCCCC1=O 1458a_100000181294_100000210202 [0,1,0,1,0,0|1,0,1]=4 17963 B13R1.527 CCC(C)NC1CCCCNC1=O 2230a_100000209981_100000735217 [0,1,0,1,0,0|2,0,0]=4 17964 B13R1.527 CCC(C)NC1CCCCNC1=O 2230a_100000698827_100000758301 [0,1,0,1,0,0|2,0,0]=4 17965 B13R1.527 CCC(C)NC1CCCCNC1=O 34a_100000698827_100011215416 [0,1,0,1,0,0|2,0,0]=4 17966 B13R1.527 CCC(C)OC1CCCCCC1=O 7a_100000210228_100000243696 [0,1,0,1,0,0|2,0,0]=4 17967 B13R1.527 CCC(C)OC1CCCCNC1=O 7a_100000210228_100000735217 [0,1,0,1,0,0|2,0,0]=4 17968 B13R1.527 CCC(C)SC1CCCCCC1=O 62a_100000243696_100000758301 [0,1,0,1,0,0|2,0,0]=4 17969 B13R1.527 CCC(C)SC1CCCCCC1=O 62a_100000758301_100000243696 [0,1,0,1,0,0|2,0,0]=4 17970 B13R1.527 CCC(C)SC1CCCCNC1=O 62a_100000735217_100000758301 [0,1,0,1,0,0|2,0,0]=4 17971 B13R1.527 CCC(C)SC1CCCCNC1=O 62a_100000758301_100000735217 [0,1,0,1,0,0|2,0,0]=4 17972 B13R1.669 CCCCOC1CCC(C(C1)C)C 34a_100011215933_100000210210 [0,1,0,1,0,0|1,0,1]=4 17973 B13R1.669 CCCCOC1CCC(C(C1)C)C 7a_100011215933_100000210211 [0,1,0,1,0,0|1,0,1]=4 17974 B13R1.1711 CCC(C)COC1CCCCCC1 34a_100000210887_100000748023 [0,1,0,1,0,0|1,0,1]=4 17975 B13R1.1711 CCC(C)COC1CCCCCC1 7a_100000210887_100000748023 [0,1,0,1,0,0|1,0,1]=4 17976 B13R1.1711 CCC(O)COC1CCCCCC1 34a_100000210887_100011218378 [0,1,0,1,0,0|1,0,1]=4 17977 B13R1.1711 CCC(O)COC1CCCCCC1 7a_100000210887_100011218378 [0,1,0,1,0,0|1,0,1]=4 17978 B13R1.1711 CC[C@H](C)COC1CCCCCC1 34a_100000210887_100009816398 [0,1,0,1,0,0|1,0,1]=4 17979 B13R1.1711 CC[C@H](C)COC1CCCCCC1 7a_100000210887_100009816398 [0,1,0,1,0,0|1,0,1]=4 17980 B13R1.2045 CCC(C)COC1(CCCCC1)C 34a_100011215885_100000748023 [0,1,0,1,0,0|1,0,1]=4 17981 B13R1.2045 CCC(C)COC1(CCCCC1)C 7a_100011215885_100000748023 [0,1,0,1,0,0|1,0,1]=4 17982 B13R1.2045 CCC(O)COC1(CCCCC1)C 34a_100011215885_100011218378 [0,1,0,1,0,0|1,0,1]=4 17983 B13R1.2045 CCC(O)COC1(CCCCC1)C 7a_100011215885_100011218378 [0,1,0,1,0,0|1,0,1]=4 17984 B13R1.2045 CC[C@H](C)COC1(CCCCC1)C 34a_100011215885_100009816398 [0,1,0,1,0,0|1,0,1]=4 17985 B13R1.2045 CC[C@H](C)COC1(CCCCC1)C 7a_100011215885_100009816398 [0,1,0,1,0,0|1,0,1]=4 17986 B13R1.2073 CCC(C)CNC(=O)C1CC1CC 11a_100020588543_200011661523 [0,1,0,1,0,0|1,0,0]=3 17987 B13R1.2073 CCC(C)CNC(=O)C1CC1CC 1626a_100020588543_200011661523 [0,1,0,1,0,0|1,0,0]=3 17988 B13R1.2073 CCC(C)CNC(=O)C1CC1CC 240690a_100020588543_200011661523 [0,1,0,1,0,0|1,0,0]=3 17989 B13R1.2073 CCC(C)CNC(=O)C1CC1CC 527a_100020588543_200011661523 [0,1,0,1,0,0|1,0,0]=3 17990 B13R1.2073 CCC(C)NNC(=O)C1CC1CC 22a_100000718999_200011661523 [0,1,0,1,0,0|2,0,0]=4 17991 B13R1.2073 CCC(O)CNC(=O)C1CC1CC 11a_100011218483_200011661523 [0,1,0,1,0,0|1,0,0]=3 17992 B13R1.2073 CCC(O)CNC(=O)C1CC1CC 240690a_100011218483_200011661523 [0,1,0,1,0,0|1,0,0]=3 17993 B13R1.2073 CCC(O)CNC(=O)C1CC1CC 527a_100011218483_200011661523 [0,1,0,1,0,0|1,0,0]=3 17994 B13R1.2073 CCC1CC1C(=O)NCC(C)CO 240690a_100000744482_200011661523 [0,1,0,1,0,0|2,0,0]=4 17995 B13R1.2073 CCC1CC1C(=O)NCC(C)CO 527a_100000744482_200011661523 [0,1,0,1,0,0|2,0,0]=4 17996 B13R1.2073 CCC1CC1C(=O)NC[C@@H](C)OC 11a_100020591295_200011661523 [0,1,0,1,0,0|2,0,0]=4 17997 B13R1.2073 CCC1CC1C(=O)NC[C@@H](C)OC 1626a_100020591295_200011661523 [0,1,0,1,0,0|2,0,0]=4 17998 B13R1.2073 CCC1CC1C(=O)NC[C@@H](C)OC 240690a_100020591295_200011661523 [0,1,0,1,0,0|2,0,0]=4 17999 B13R1.2073 CCC1CC1C(=O)NC[C@@H](C)OC 527a_100020591295_200011661523 [0,1,0,1,0,0|2,0,0]=4 18000 B13R1.2073 CCC1CC1C(=O)NC[C@@H](F)CO 240690a_100015665980_200011661523 [0,1,0,1,0,0|2,0,0]=4 18001 B13R1.2073 CCC1CC1C(=O)NC[C@@H](F)CO 527a_100015665980_200011661523 [0,1,0,1,0,0|2,0,0]=4 18002 B13R1.2073 CCC1CC1C(=O)NC[C@H](O)CO 240690a_100020644852_200011661523 [0,1,0,1,0,0|2,0,0]=4 18003 B13R1.2073 CCC1CC1C(=O)NC[C@H](O)CO 527a_100020644852_200011661523 [0,1,0,1,0,0|2,0,0]=4 18004 B13R1.2748 CCCCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000212188 [0,1,0,1,0,0|1,0,0]=3 18005 B13R1.2748 CCCCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000212188 [0,1,0,1,0,0|1,0,0]=3 18006 B13R1.2748 CCCCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000212188 [0,1,0,1,0,0|1,0,0]=3 18007 B13R1.2748 CCCCNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100000102301_206633788156 [0,1,0,1,0,0|2,0,0]=4 18008 B13R1.2748 CCCCNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100000102301_206633788156 [0,1,0,1,0,0|2,0,0]=4 18009 B13R1.2748 CCCOCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000745993 [0,1,0,1,0,0|2,0,0]=4 18010 B13R1.2748 CCCOCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000745993 [0,1,0,1,0,0|2,0,0]=4 18011 B13R1.2748 CCCOCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000745993 [0,1,0,1,0,0|2,0,0]=4 18012 B13R1.2748 CCCSCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000217233 [0,1,0,1,0,0|2,0,0]=4 18013 B13R1.2748 CCCSCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000217233 [0,1,0,1,0,0|2,0,0]=4 18014 B13R1.2748 CCCSCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000217233 [0,1,0,1,0,0|2,0,0]=4 18015 B13R1.2748 CCOCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000749530 [0,1,0,1,0,0|2,0,0]=4 18016 B13R1.2748 CCOCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000749530 [0,1,0,1,0,0|2,0,0]=4 18017 B13R1.2748 CCOCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000749530 [0,1,0,1,0,0|2,0,0]=4 18018 B13R1.2748 CCSCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000230768 [0,1,0,1,0,0|2,0,0]=4 18019 B13R1.2748 CCSCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000230768 [0,1,0,1,0,0|2,0,0]=4 18020 B13R1.2748 CCSCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000230768 [0,1,0,1,0,0|2,0,0]=4 18021 B13R1.2748 COCCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000741012 [0,1,0,1,0,0|2,0,0]=4 18022 B13R1.2748 COCCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000741012 [0,1,0,1,0,0|2,0,0]=4 18023 B13R1.2748 COCCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000741012 [0,1,0,1,0,0|2,0,0]=4 18024 B13R1.2748 CSCCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000173376 [0,1,0,1,0,0|2,0,0]=4 18025 B13R1.2748 CSCCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000173376 [0,1,0,1,0,0|2,0,0]=4 18026 B13R1.2748 CSCCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000173376 [0,1,0,1,0,0|2,0,0]=4 18027 B13R1.2750 CCC1CN(C1)C(=O)CCCCO 1626a_100015205115_100000695505 [0,1,0,1,0,0|2,0,0]=4 18028 B13R1.2750 CCC1CN(C1)C(=O)CCCOC 11a_100015205115_100000741012 [0,1,0,1,0,0|2,0,0]=4 18029 B13R1.2750 CCC1CN(C1)C(=O)CCCOC 1626a_100015205115_100000741012 [0,1,0,1,0,0|2,0,0]=4 18030 B13R1.2750 CCC1CN(C1)C(=O)CCCOC 240690a_100015205115_100000741012 [0,1,0,1,0,0|2,0,0]=4 18031 B13R1.2750 CCC1CN(C1)C(=O)CCCOC 527a_100015205115_100000741012 [0,1,0,1,0,0|2,0,0]=4 18032 B13R1.2750 CCC1CN(C1)C(=O)CCCSC 11a_100015205115_100000173376 [0,1,0,1,0,0|2,0,0]=4 18033 B13R1.2750 CCC1CN(C1)C(=O)CCCSC 1626a_100015205115_100000173376 [0,1,0,1,0,0|2,0,0]=4 18034 B13R1.2750 CCC1CN(C1)C(=O)CCCSC 240690a_100015205115_100000173376 [0,1,0,1,0,0|2,0,0]=4 18035 B13R1.2750 CCC1CN(C1)C(=O)CCCSC 527a_100015205115_100000173376 [0,1,0,1,0,0|2,0,0]=4 18036 B13R1.2750 CCCCCC(=O)C1CC(C1)CO 1458a_206645079618_100000210326 [0,1,0,1,0,0|2,0,0]=4 18037 B13R1.2750 CCCCCC(=O)C1CC(C1)OC 1458a_100011999411_100000210326 [0,1,0,1,0,0|2,0,0]=4 18038 B13R1.2750 CCCCCC(=O)N1CC(C1)CC 11a_100015205115_100000212188 [0,1,0,1,0,0|1,0,0]=3 18039 B13R1.2750 CCCCCC(=O)N1CC(C1)CC 1626a_100015205115_100000212188 [0,1,0,1,0,0|1,0,0]=3 18040 B13R1.2750 CCCCCC(=O)N1CC(C1)CC 240690a_100015205115_100000212188 [0,1,0,1,0,0|1,0,0]=3 18041 B13R1.2750 CCCCCC(=O)N1CC(C1)CC 527a_100015205115_100000212188 [0,1,0,1,0,0|1,0,0]=3 18042 B13R1.2750 CCCCCC(=O)N1CC(C1)CF 11a_100010363649_100000212188 [0,1,0,1,0,0|2,0,0]=4 18043 B13R1.2750 CCCCCC(=O)N1CC(C1)CF 240690a_100010363649_100000212188 [0,1,0,1,0,0|2,0,0]=4 18044 B13R1.2750 CCCCCC(=O)N1CC(C1)CF 527a_100010363649_100000212188 [0,1,0,1,0,0|2,0,0]=4 18045 B13R1.2750 CCCCCC(=O)N1CC(C1)CO 240690a_100016987283_100000212188 [0,1,0,1,0,0|2,0,0]=4 18046 B13R1.2750 CCCCCC(=O)N1CC(C1)CO 527a_100016987283_100000212188 [0,1,0,1,0,0|2,0,0]=4 18047 B13R1.2750 CCCCCC(=O)N1CC(C1)OC 11a_100000755009_100000212188 [0,1,0,1,0,0|2,0,0]=4 18048 B13R1.2750 CCCCCC(=O)N1CC(C1)OC 1626a_100000755009_100000212188 [0,1,0,1,0,0|2,0,0]=4 18049 B13R1.2750 CCCCCC(=O)N1CC(C1)OC 240690a_100000755009_100000212188 [0,1,0,1,0,0|2,0,0]=4 18050 B13R1.2750 CCCCCC(=O)N1CC(C1)OC 527a_100000755009_100000212188 [0,1,0,1,0,0|2,0,0]=4 18051 B13R1.2750 CCCCCC(=O)N1CC(C1)SC 11a_100016990038_100000212188 [0,1,0,1,0,0|2,0,0]=4 18052 B13R1.2750 CCCCCC(=O)N1CC(C1)SC 1626a_100016990038_100000212188 [0,1,0,1,0,0|2,0,0]=4 18053 B13R1.2750 CCCCCC(=O)N1CC(C1)SC 240690a_100016990038_100000212188 [0,1,0,1,0,0|2,0,0]=4 18054 B13R1.2750 CCCCCC(=O)N1CC(C1)SC 527a_100016990038_100000212188 [0,1,0,1,0,0|2,0,0]=4 18055 B13R1.2750 CCCCNC(=O)C1CC(C1)CO 1626a_100000102301_206645079618 [0,1,0,1,0,0|2,0,0]=4 18056 B13R1.2750 CCCCNC(=O)C1CC(C1)OC 11a_100000102301_100011999411 [0,1,0,1,0,0|2,0,0]=4 18057 B13R1.2750 CCCCNC(=O)C1CC(C1)OC 1626a_100000102301_100011999411 [0,1,0,1,0,0|2,0,0]=4 18058 B13R1.2750 CCCCNC(=O)C1CC(C1)OC 240690a_100000102301_100011999411 [0,1,0,1,0,0|2,0,0]=4 18059 B13R1.2750 CCCCNC(=O)C1CC(C1)OC 527a_100000102301_100011999411 [0,1,0,1,0,0|2,0,0]=4 18060 B13R1.2750 CCCCNC(=O)N1CC(C1)CC 2708a_100000102301_100015205115 [0,1,0,1,0,0|2,0,0]=4 18061 B13R1.2750 CCCCNC(=O)N1CC(C1)CC 273464a_100000102301_100015205115 [0,1,0,1,0,0|2,0,0]=4 18062 B13R1.2750 CCCOCC(=O)N1CC(C1)CC 11a_100015205115_100000745993 [0,1,0,1,0,0|2,0,0]=4 18063 B13R1.2750 CCCOCC(=O)N1CC(C1)CC 1626a_100015205115_100000745993 [0,1,0,1,0,0|2,0,0]=4 18064 B13R1.2750 CCCOCC(=O)N1CC(C1)CC 240690a_100015205115_100000745993 [0,1,0,1,0,0|2,0,0]=4 18065 B13R1.2750 CCCOCC(=O)N1CC(C1)CC 527a_100015205115_100000745993 [0,1,0,1,0,0|2,0,0]=4 18066 B13R1.2750 CCCSCC(=O)N1CC(C1)CC 11a_100015205115_100000217233 [0,1,0,1,0,0|2,0,0]=4 18067 B13R1.2750 CCCSCC(=O)N1CC(C1)CC 1626a_100015205115_100000217233 [0,1,0,1,0,0|2,0,0]=4 18068 B13R1.2750 CCCSCC(=O)N1CC(C1)CC 240690a_100015205115_100000217233 [0,1,0,1,0,0|2,0,0]=4 18069 B13R1.2750 CCCSCC(=O)N1CC(C1)CC 527a_100015205115_100000217233 [0,1,0,1,0,0|2,0,0]=4 18070 B13R1.2750 CCOCCC(=O)N1CC(C1)CC 11a_100015205115_100000749530 [0,1,0,1,0,0|2,0,0]=4 18071 B13R1.2750 CCOCCC(=O)N1CC(C1)CC 1626a_100015205115_100000749530 [0,1,0,1,0,0|2,0,0]=4 18072 B13R1.2750 CCOCCC(=O)N1CC(C1)CC 240690a_100015205115_100000749530 [0,1,0,1,0,0|2,0,0]=4 18073 B13R1.2750 CCOCCC(=O)N1CC(C1)CC 527a_100015205115_100000749530 [0,1,0,1,0,0|2,0,0]=4 18074 B13R1.2750 CCSCCC(=O)N1CC(C1)CC 11a_100015205115_100000230768 [0,1,0,1,0,0|2,0,0]=4 18075 B13R1.2750 CCSCCC(=O)N1CC(C1)CC 1626a_100015205115_100000230768 [0,1,0,1,0,0|2,0,0]=4 18076 B13R1.2750 CCSCCC(=O)N1CC(C1)CC 240690a_100015205115_100000230768 [0,1,0,1,0,0|2,0,0]=4 18077 B13R1.2750 CCSCCC(=O)N1CC(C1)CC 527a_100015205115_100000230768 [0,1,0,1,0,0|2,0,0]=4 18078 B13R1.3065 CC1(CC1)CNC(=O)CCCCO 1626a_100000766693_100000695505 [0,1,0,1,0,0|2,0,0]=4 18079 B13R1.3065 CCCCCC(=O)CNC1(CC1)C 2230a_100000757604_200012276598 [0,1,0,1,0,0|2,0,0]=4 18080 B13R1.3065 CCCCCC(=O)COC1(CC1)C 7a_100011725673_200012276598 [0,1,0,1,0,0|2,0,0]=4 18081 B13R1.3065 CCCCCC(=O)NCC1(CC1)C 11a_100000766693_100000212188 [0,1,0,1,0,0|1,0,0]=3 18082 B13R1.3065 CCCCCC(=O)NCC1(CC1)C 1626a_100000766693_100000212188 [0,1,0,1,0,0|1,0,0]=3 18083 B13R1.3065 CCCCCC(=O)NCC1(CC1)C 240690a_100000766693_100000212188 [0,1,0,1,0,0|1,0,0]=3 18084 B13R1.3065 CCCCCC(=O)NCC1(CC1)C 527a_100000766693_100000212188 [0,1,0,1,0,0|1,0,0]=3 18085 B13R1.3065 CCCCCC(=O)NCC1(CC1)O 11a_100011936951_100000212188 [0,1,0,1,0,0|1,0,0]=3 18086 B13R1.3065 CCCCCC(=O)NCC1(CC1)O 240690a_100011936951_100000212188 [0,1,0,1,0,0|1,0,0]=3 18087 B13R1.3065 CCCCCC(=O)NCC1(CC1)O 527a_100011936951_100000212188 [0,1,0,1,0,0|1,0,0]=3 18088 B13R1.3065 CCCCCC(C)OCC1(CC1)C 7a_100000698024_200011218191 [0,1,0,1,0,0|1,0,1]=4 18089 B13R1.3065 CCCCCC(C)OCC1(CC1)F 34a_200000703853_200011218191 [0,1,0,1,0,0|1,0,1]=4 18090 B13R1.3065 CCCCCC(C)OCC1(CC1)F 7a_200000703853_200011218191 [0,1,0,1,0,0|1,0,1]=4 18091 B13R1.3065 CCCCNC(=O)CNC1(CC1)C 2230a_100000757604_100000182744 [0,1,0,1,0,0|2,0,0]=4 18092 B13R1.3065 CCCCNC(=O)COC1(CC1)C 7a_100011725673_100000182744 [0,1,0,1,0,0|2,0,0]=4 18093 B13R1.3065 CCCCNC(=O)NCC1(CC1)C 2708a_100000102301_100000766693 [0,1,0,1,0,0|2,0,0]=4 18094 B13R1.3065 CCCCNC(=O)NCC1(CC1)C 2708a_100000766693_100000102301 [0,1,0,1,0,0|2,0,0]=4 18095 B13R1.3065 CCCCNC(=O)NCC1(CC1)C 273464a_100000102301_100000766693 [0,1,0,1,0,0|2,0,0]=4 18096 B13R1.3065 CCCCNC(=O)NCC1(CC1)C 273464a_100000766693_100000102301 [0,1,0,1,0,0|2,0,0]=4 18097 B13R1.3065 CCCCNC(=O)NCC1(CC1)C 512a_100000102301_100000766693 [0,1,0,1,0,0|2,0,0]=4 18098 B13R1.3065 CCCCNC(=O)NCC1(CC1)C 512a_100000766693_100000102301 [0,1,0,1,0,0|2,0,0]=4 18099 B13R1.3065 CCCCNC(=O)NCC1(CC1)O 2708a_100000102301_100011936951 [0,1,0,1,0,0|2,0,0]=4 18100 B13R1.3065 CCCCNC(=O)NCC1(CC1)O 2708a_100011936951_100000102301 [0,1,0,1,0,0|2,0,0]=4 18101 B13R1.3065 CCCCNC(=O)NCC1(CC1)O 273464a_100000102301_100011936951 [0,1,0,1,0,0|2,0,0]=4 18102 B13R1.3065 CCCCNC(=O)NCC1(CC1)O 512a_100000102301_100011936951 [0,1,0,1,0,0|2,0,0]=4 18103 B13R1.3065 CCCCNC(=O)NCC1(CC1)O 512a_100011936951_100000102301 [0,1,0,1,0,0|2,0,0]=4 18104 B13R1.3065 CCCCOC(=O)CNC1(CC1)C 2230a_100000757604_100000211628 [0,1,0,1,0,0|1,0,0]=3 18105 B13R1.3065 CCCCOC(=O)COC1(CC1)C 7a_100011725673_100000211628 [0,1,0,1,0,0|1,0,0]=3 18106 B13R1.3065 CCCOCC(=O)NCC1(CC1)C 11a_100000766693_100000745993 [0,1,0,1,0,0|2,0,0]=4 18107 B13R1.3065 CCCOCC(=O)NCC1(CC1)C 1626a_100000766693_100000745993 [0,1,0,1,0,0|2,0,0]=4 18108 B13R1.3065 CCCOCC(=O)NCC1(CC1)C 240690a_100000766693_100000745993 [0,1,0,1,0,0|2,0,0]=4 18109 B13R1.3065 CCCOCC(=O)NCC1(CC1)C 527a_100000766693_100000745993 [0,1,0,1,0,0|2,0,0]=4 18110 B13R1.3065 CCCOCC(=O)NCC1(CC1)O 11a_100011936951_100000745993 [0,1,0,1,0,0|2,0,0]=4 18111 B13R1.3065 CCCOCC(=O)NCC1(CC1)O 240690a_100011936951_100000745993 [0,1,0,1,0,0|2,0,0]=4 18112 B13R1.3065 CCCOCC(=O)NCC1(CC1)O 527a_100011936951_100000745993 [0,1,0,1,0,0|2,0,0]=4 18113 B13R1.3065 CCCSCC(=O)NCC1(CC1)C 11a_100000766693_100000217233 [0,1,0,1,0,0|2,0,0]=4 18114 B13R1.3065 CCCSCC(=O)NCC1(CC1)C 1626a_100000766693_100000217233 [0,1,0,1,0,0|2,0,0]=4 18115 B13R1.3065 CCCSCC(=O)NCC1(CC1)C 240690a_100000766693_100000217233 [0,1,0,1,0,0|2,0,0]=4 18116 B13R1.3065 CCCSCC(=O)NCC1(CC1)C 527a_100000766693_100000217233 [0,1,0,1,0,0|2,0,0]=4 18117 B13R1.3065 CCCSCC(=O)NCC1(CC1)O 11a_100011936951_100000217233 [0,1,0,1,0,0|2,0,0]=4 18118 B13R1.3065 CCCSCC(=O)NCC1(CC1)O 240690a_100011936951_100000217233 [0,1,0,1,0,0|2,0,0]=4 18119 B13R1.3065 CCCSCC(=O)NCC1(CC1)O 527a_100011936951_100000217233 [0,1,0,1,0,0|2,0,0]=4 18120 B13R1.3065 CCOCCC(=O)NCC1(CC1)C 11a_100000766693_100000749530 [0,1,0,1,0,0|2,0,0]=4 18121 B13R1.3065 CCOCCC(=O)NCC1(CC1)C 1626a_100000766693_100000749530 [0,1,0,1,0,0|2,0,0]=4 18122 B13R1.3065 CCOCCC(=O)NCC1(CC1)C 240690a_100000766693_100000749530 [0,1,0,1,0,0|2,0,0]=4 18123 B13R1.3065 CCOCCC(=O)NCC1(CC1)C 527a_100000766693_100000749530 [0,1,0,1,0,0|2,0,0]=4 18124 B13R1.3065 CCOCCC(=O)NCC1(CC1)O 11a_100011936951_100000749530 [0,1,0,1,0,0|2,0,0]=4 18125 B13R1.3065 CCOCCC(=O)NCC1(CC1)O 240690a_100011936951_100000749530 [0,1,0,1,0,0|2,0,0]=4 18126 B13R1.3065 CCOCCC(=O)NCC1(CC1)O 527a_100011936951_100000749530 [0,1,0,1,0,0|2,0,0]=4 18127 B13R1.3065 CCSCCC(=O)NCC1(CC1)C 11a_100000766693_100000230768 [0,1,0,1,0,0|2,0,0]=4 18128 B13R1.3065 CCSCCC(=O)NCC1(CC1)C 1626a_100000766693_100000230768 [0,1,0,1,0,0|2,0,0]=4 18129 B13R1.3065 CCSCCC(=O)NCC1(CC1)C 240690a_100000766693_100000230768 [0,1,0,1,0,0|2,0,0]=4 18130 B13R1.3065 CCSCCC(=O)NCC1(CC1)C 527a_100000766693_100000230768 [0,1,0,1,0,0|2,0,0]=4 18131 B13R1.3065 CCSCCC(=O)NCC1(CC1)O 11a_100011936951_100000230768 [0,1,0,1,0,0|2,0,0]=4 18132 B13R1.3065 CCSCCC(=O)NCC1(CC1)O 240690a_100011936951_100000230768 [0,1,0,1,0,0|2,0,0]=4 18133 B13R1.3065 CCSCCC(=O)NCC1(CC1)O 527a_100011936951_100000230768 [0,1,0,1,0,0|2,0,0]=4 18134 B13R1.3065 COCCCC(=O)NCC1(CC1)C 11a_100000766693_100000741012 [0,1,0,1,0,0|2,0,0]=4 18135 B13R1.3065 COCCCC(=O)NCC1(CC1)C 1626a_100000766693_100000741012 [0,1,0,1,0,0|2,0,0]=4 18136 B13R1.3065 COCCCC(=O)NCC1(CC1)C 240690a_100000766693_100000741012 [0,1,0,1,0,0|2,0,0]=4 18137 B13R1.3065 COCCCC(=O)NCC1(CC1)C 527a_100000766693_100000741012 [0,1,0,1,0,0|2,0,0]=4 18138 B13R1.3065 COCCCC(=O)NCC1(CC1)O 11a_100011936951_100000741012 [0,1,0,1,0,0|2,0,0]=4 18139 B13R1.3065 COCCCC(=O)NCC1(CC1)O 240690a_100011936951_100000741012 [0,1,0,1,0,0|2,0,0]=4 18140 B13R1.3065 COCCCC(=O)NCC1(CC1)O 527a_100011936951_100000741012 [0,1,0,1,0,0|2,0,0]=4 18141 B13R1.3065 COCCOC(=O)CNC1(CC1)C 2230a_100000757604_200000040189 [0,1,0,1,0,0|2,0,0]=4 18142 B13R1.3065 COCCOC(=O)COC1(CC1)C 7a_100011725673_200000040189 [0,1,0,1,0,0|2,0,0]=4 18143 B13R1.3065 CSCCCC(=O)NCC1(CC1)C 11a_100000766693_100000173376 [0,1,0,1,0,0|2,0,0]=4 18144 B13R1.3065 CSCCCC(=O)NCC1(CC1)C 1626a_100000766693_100000173376 [0,1,0,1,0,0|2,0,0]=4 18145 B13R1.3065 CSCCCC(=O)NCC1(CC1)C 240690a_100000766693_100000173376 [0,1,0,1,0,0|2,0,0]=4 18146 B13R1.3065 CSCCCC(=O)NCC1(CC1)C 527a_100000766693_100000173376 [0,1,0,1,0,0|2,0,0]=4 18147 B13R1.3065 CSCCCC(=O)NCC1(CC1)O 11a_100011936951_100000173376 [0,1,0,1,0,0|2,0,0]=4 18148 B13R1.3065 CSCCCC(=O)NCC1(CC1)O 240690a_100011936951_100000173376 [0,1,0,1,0,0|2,0,0]=4 18149 B13R1.3065 CSCCCC(=O)NCC1(CC1)O 527a_100011936951_100000173376 [0,1,0,1,0,0|2,0,0]=4 18150 B13R1.3395 CCCCC1C(=O)N(CCN1C)C 2230a_200000068537_200000210301 [0,1,0,1,0,0|2,0,0]=4 18151 B13R1.3395 CCCCC1C(=O)N(CCN1C)C 269982a_200000068537_200000210301 [0,1,0,1,0,0|2,0,0]=4 18152 B13R1.3395 CCCCC1C(=O)N(CCN1C)C 34a_200000068537_200000210301 [0,1,0,1,0,0|2,0,0]=4 18153 B13R1.3395 CCCCC1C(=O)N(CCN1[13CH3])C 2230a_200000068537_200025704644 [0,1,0,1,0,0|2,0,0]=4 18154 B13R1.3395 CCCCC1C(=O)N(CCN1[13CH3])C 269982a_200000068537_200025704644 [0,1,0,1,0,0|2,0,0]=4 18155 B13R1.3395 CCCCC1C(=O)N(CCN1[13CH3])C 34a_200000068537_200025704644 [0,1,0,1,0,0|2,0,0]=4 18156 B13R1.3544 CCC(C)CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000701222 [0,1,0,1,0,0|2,0,0]=4 18157 B13R1.3544 CCC(C)CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000701222 [0,1,0,1,0,0|2,0,0]=4 18158 B13R1.3544 CCC(C)CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000701222 [0,1,0,1,0,0|2,0,0]=4 18159 B13R1.3544 CCC(C)CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000701222 [0,1,0,1,0,0|2,0,0]=4 18160 B13R1.3544 CCC(C)CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000701222 [0,1,0,1,0,0|2,0,0]=4 18161 B13R1.3544 CCC(C)CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000701222 [0,1,0,1,0,0|2,0,0]=4 18162 B13R1.3544 CCC(O)CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_203496584001 [0,1,0,1,0,0|2,0,0]=4 18163 B13R1.3544 CCC(O)CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_203496584001 [0,1,0,1,0,0|2,0,0]=4 18164 B13R1.3544 CCC(O)CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_203496584001 [0,1,0,1,0,0|2,0,0]=4 18165 B13R1.3545 CC(CO)CNC(=O)CC1CCC1 240690a_100000744482_100000763092 [0,1,0,1,0,0|2,0,0]=4 18166 B13R1.3545 CC(CO)CNC(=O)CC1CCC1 527a_100000744482_100000763092 [0,1,0,1,0,0|2,0,0]=4 18167 B13R1.3545 CCC(C)CCC(=O)CC1CCC1 1458a_100000701222_100000763275 [0,1,0,1,0,0|1,0,0]=3 18168 B13R1.3545 CCC(C)CCC(=O)CC1CCO1 1458a_100000701222_100000103362 [0,1,0,1,0,0|2,0,0]=4 18169 B13R1.3545 CCC(C)CCC(=O)CC1COC1 1458a_100000701222_100010264016 [0,1,0,1,0,0|2,0,0]=4 18170 B13R1.3545 CCC(C)CCC(=O)NC1CCC1 11a_100000749019_100000701222 [0,1,0,1,0,0|1,0,0]=3 18171 B13R1.3545 CCC(C)CCC(=O)NC1CCC1 1626a_100000749019_100000701222 [0,1,0,1,0,0|1,0,0]=3 18172 B13R1.3545 CCC(C)CCC(=O)NC1CCC1 240690a_100000749019_100000701222 [0,1,0,1,0,0|1,0,0]=3 18173 B13R1.3545 CCC(C)CCC(=O)NC1CCC1 527a_100000749019_100000701222 [0,1,0,1,0,0|1,0,0]=3 18174 B13R1.3545 CCC(C)CCC(=O)NC1COC1 11a_100016991112_100000701222 [0,1,0,1,0,0|2,0,0]=4 18175 B13R1.3545 CCC(C)CCC(=O)NC1COC1 1626a_100016991112_100000701222 [0,1,0,1,0,0|2,0,0]=4 18176 B13R1.3545 CCC(C)CCC(=O)NC1COC1 240690a_100016991112_100000701222 [0,1,0,1,0,0|2,0,0]=4 18177 B13R1.3545 CCC(C)CCC(=O)NC1COC1 527a_100016991112_100000701222 [0,1,0,1,0,0|2,0,0]=4 18178 B13R1.3545 CCC(C)CCC(=O)NC1CSC1 11a_100016994217_100000701222 [0,1,0,1,0,0|2,0,0]=4 18179 B13R1.3545 CCC(C)CCC(=O)NC1CSC1 1626a_100016994217_100000701222 [0,1,0,1,0,0|2,0,0]=4 18180 B13R1.3545 CCC(C)CCC(=O)NC1CSC1 240690a_100016994217_100000701222 [0,1,0,1,0,0|2,0,0]=4 18181 B13R1.3545 CCC(C)CCC(=O)NC1CSC1 527a_100016994217_100000701222 [0,1,0,1,0,0|2,0,0]=4 18182 B13R1.3545 CCC(C)CNC(=O)CC1CCC1 11a_100020588543_100000763092 [0,1,0,1,0,0|1,0,0]=3 18183 B13R1.3545 CCC(C)CNC(=O)CC1CCC1 1626a_100020588543_100000763092 [0,1,0,1,0,0|1,0,0]=3 18184 B13R1.3545 CCC(C)CNC(=O)CC1CCC1 240690a_100020588543_100000763092 [0,1,0,1,0,0|1,0,0]=3 18185 B13R1.3545 CCC(C)CNC(=O)CC1CCC1 527a_100020588543_100000763092 [0,1,0,1,0,0|1,0,0]=3 18186 B13R1.3545 CCC(C)CNC(=O)CC1COC1 11a_100020588543_100000687760 [0,1,0,1,0,0|2,0,0]=4 18187 B13R1.3545 CCC(C)CNC(=O)CC1COC1 1626a_100020588543_100000687760 [0,1,0,1,0,0|2,0,0]=4 18188 B13R1.3545 CCC(C)CNC(=O)NC1CCC1 2708a_100020588543_100000749019 [0,1,0,1,0,0|2,0,0]=4 18189 B13R1.3545 CCC(C)CNC(=O)NC1CCC1 273464a_100000749019_100020588543 [0,1,0,1,0,0|2,0,0]=4 18190 B13R1.3545 CCC(C)CNC(=O)NC1CCC1 273464a_100020588543_100000749019 [0,1,0,1,0,0|2,0,0]=4 18191 B13R1.3545 CCC(C)CNC(=O)NC1CCC1 512a_100000749019_100020588543 [0,1,0,1,0,0|2,0,0]=4 18192 B13R1.3545 CCC(C)CNC(=O)NC1CCC1 512a_100020588543_100000749019 [0,1,0,1,0,0|2,0,0]=4 18193 B13R1.3545 CCC(C)NNC(=O)CC1CCC1 22a_100000718999_100000763092 [0,1,0,1,0,0|2,0,0]=4 18194 B13R1.3545 CCC(O)CCC(=O)NC1CCC1 1626a_100000749019_203496584001 [0,1,0,1,0,0|1,0,0]=3 18195 B13R1.3545 CCC(O)CCC(=O)NC1CCC1 240690a_100000749019_203496584001 [0,1,0,1,0,0|1,0,0]=3 18196 B13R1.3545 CCC(O)CCC(=O)NC1COC1 1626a_100016991112_203496584001 [0,1,0,1,0,0|2,0,0]=4 18197 B13R1.3545 CCC(O)CCC(=O)NC1COC1 240690a_100016991112_203496584001 [0,1,0,1,0,0|2,0,0]=4 18198 B13R1.3545 CCC(O)CCC(=O)NC1CSC1 1626a_100016994217_203496584001 [0,1,0,1,0,0|2,0,0]=4 18199 B13R1.3545 CCC(O)CCC(=O)NC1CSC1 240690a_100016994217_203496584001 [0,1,0,1,0,0|2,0,0]=4 18200 B13R1.3545 CCC(O)CNC(=O)CC1CCC1 11a_100011218483_100000763092 [0,1,0,1,0,0|1,0,0]=3 18201 B13R1.3545 CCC(O)CNC(=O)CC1CCC1 240690a_100011218483_100000763092 [0,1,0,1,0,0|1,0,0]=3 18202 B13R1.3545 CCC(O)CNC(=O)CC1CCC1 527a_100011218483_100000763092 [0,1,0,1,0,0|1,0,0]=3 18203 B13R1.3545 CCC(O)CNC(=O)CC1COC1 11a_100011218483_100000687760 [0,1,0,1,0,0|2,0,0]=4 18204 B13R1.3545 CCC(O)CNC(=O)NC1CCC1 273464a_100000749019_100011218483 [0,1,0,1,0,0|2,0,0]=4 18205 B13R1.3545 CCC(O)CNC(=O)NC1CCC1 273464a_100011218483_100000749019 [0,1,0,1,0,0|2,0,0]=4 18206 B13R1.3545 CCC(O)CNC(=O)NC1CCC1 512a_100011218483_100000749019 [0,1,0,1,0,0|2,0,0]=4 18207 B13R1.3545 CCN(C)CCC(=O)CC1CCC1 1458a_100000755305_100000763275 [0,1,0,1,0,0|2,0,0]=4 18208 B13R1.3545 CCN(C)CCC(=O)NC1CCC1 240690a_100000749019_100000755305 [0,1,0,1,0,0|2,0,0]=4 18209 B13R1.3545 CCS(=O)CCC(=O)CC1CCC1 1458a_100011387550_100000763275 [0,1,0,1,0,0|2,0,0]=4 18210 B13R1.3545 CCS(=O)CCC(=O)NC1CCC1 11a_100000749019_100011387550 [0,1,0,1,0,0|2,0,0]=4 18211 B13R1.3545 CCS(=O)CCC(=O)NC1CCC1 1626a_100000749019_100011387550 [0,1,0,1,0,0|2,0,0]=4 18212 B13R1.3545 CCS(=O)CCC(=O)NC1CCC1 240690a_100000749019_100011387550 [0,1,0,1,0,0|2,0,0]=4 18213 B13R1.3545 CCS(=O)CCC(=O)NC1CCC1 527a_100000749019_100011387550 [0,1,0,1,0,0|2,0,0]=4 18214 B13R1.3545 CO[C@H](C)CNC(=O)CC1CCC1 11a_100020591295_100000763092 [0,1,0,1,0,0|2,0,0]=4 18215 B13R1.3545 CO[C@H](C)CNC(=O)CC1CCC1 1626a_100020591295_100000763092 [0,1,0,1,0,0|2,0,0]=4 18216 B13R1.3545 CO[C@H](C)CNC(=O)CC1CCC1 240690a_100020591295_100000763092 [0,1,0,1,0,0|2,0,0]=4 18217 B13R1.3545 CO[C@H](C)CNC(=O)CC1CCC1 527a_100020591295_100000763092 [0,1,0,1,0,0|2,0,0]=4 18218 B13R1.3545 O=C(CC1CCC1)NC[C@@H](F)CO 240690a_100015665980_100000763092 [0,1,0,1,0,0|2,0,0]=4 18219 B13R1.3545 O=C(CC1CCC1)NC[C@@H](F)CO 527a_100015665980_100000763092 [0,1,0,1,0,0|2,0,0]=4 18220 B13R1.3545 O=C(CC1CCC1)NC[C@H](O)CO 240690a_100020644852_100000763092 [0,1,0,1,0,0|2,0,0]=4 18221 B13R1.3545 O=C(CC1CCC1)NC[C@H](O)CO 527a_100020644852_100000763092 [0,1,0,1,0,0|2,0,0]=4 18222 B13R1.3546 CC(CO)CNC(=O)CCC1CC1 240690a_100000744482_100000756386 [0,1,0,1,0,0|2,0,0]=4 18223 B13R1.3546 CC(CO)CNC(=O)CCC1CC1 527a_100000744482_100000756386 [0,1,0,1,0,0|2,0,0]=4 18224 B13R1.3546 CCC(C)CCC(=O)CCC1CC1 1458a_100000701222_100000694398 [0,1,0,1,0,0|1,0,0]=3 18225 B13R1.3546 CCC(C)CCC(=O)CCC1CO1 1458a_100000701222_100000732470 [0,1,0,1,0,0|2,0,0]=4 18226 B13R1.3546 CCC(C)CCC(=O)NCC1CC1 11a_100000735609_100000701222 [0,1,0,1,0,0|1,0,0]=3 18227 B13R1.3546 CCC(C)CCC(=O)NCC1CC1 1626a_100000735609_100000701222 [0,1,0,1,0,0|1,0,0]=3 18228 B13R1.3546 CCC(C)CCC(=O)NCC1CC1 240690a_100000735609_100000701222 [0,1,0,1,0,0|1,0,0]=3 18229 B13R1.3546 CCC(C)CCC(=O)NCC1CC1 527a_100000735609_100000701222 [0,1,0,1,0,0|1,0,0]=3 18230 B13R1.3546 CCC(C)CCC(=O)NNC1CC1 22a_100000701032_100000701222 [0,1,0,1,0,0|2,0,0]=4 18231 B13R1.3546 CCC(C)CCC(C)OCC1CC1 7a_200011216552_100000742324 [0,1,0,1,0,0|1,0,1]=4 18232 B13R1.3546 CCC(C)CNC(=O)CCC1CC1 11a_100020588543_100000756386 [0,1,0,1,0,0|1,0,0]=3 18233 B13R1.3546 CCC(C)CNC(=O)CCC1CC1 1626a_100020588543_100000756386 [0,1,0,1,0,0|1,0,0]=3 18234 B13R1.3546 CCC(C)CNC(=O)CCC1CC1 240690a_100020588543_100000756386 [0,1,0,1,0,0|1,0,0]=3 18235 B13R1.3546 CCC(C)CNC(=O)CCC1CC1 527a_100020588543_100000756386 [0,1,0,1,0,0|1,0,0]=3 18236 B13R1.3546 CCC(C)CNC(=O)NCC1CC1 2708a_100000735609_100020588543 [0,1,0,1,0,0|2,0,0]=4 18237 B13R1.3546 CCC(C)CNC(=O)NCC1CC1 2708a_100020588543_100000735609 [0,1,0,1,0,0|2,0,0]=4 18238 B13R1.3546 CCC(C)CNC(=O)NCC1CC1 273464a_100000735609_100020588543 [0,1,0,1,0,0|2,0,0]=4 18239 B13R1.3546 CCC(C)CNC(=O)NCC1CC1 273464a_100020588543_100000735609 [0,1,0,1,0,0|2,0,0]=4 18240 B13R1.3546 CCC(C)CNC(=O)NCC1CC1 512a_100000735609_100020588543 [0,1,0,1,0,0|2,0,0]=4 18241 B13R1.3546 CCC(C)CNC(=O)NCC1CC1 512a_100020588543_100000735609 [0,1,0,1,0,0|2,0,0]=4 18242 B13R1.3546 CCC(C)NNC(=O)CCC1CC1 22a_100000718999_100000756386 [0,1,0,1,0,0|2,0,0]=4 18243 B13R1.3546 CCC(O)CCC(=O)NCC1CC1 1626a_100000735609_203496584001 [0,1,0,1,0,0|1,0,0]=3 18244 B13R1.3546 CCC(O)CCC(=O)NCC1CC1 240690a_100000735609_203496584001 [0,1,0,1,0,0|1,0,0]=3 18245 B13R1.3546 CCC(O)CCC(=O)NNC1CC1 22a_100000701032_203496584001 [0,1,0,1,0,0|2,0,0]=4 18246 B13R1.3546 CCC(O)CNC(=O)CCC1CC1 11a_100011218483_100000756386 [0,1,0,1,0,0|1,0,0]=3 18247 B13R1.3546 CCC(O)CNC(=O)CCC1CC1 240690a_100011218483_100000756386 [0,1,0,1,0,0|1,0,0]=3 18248 B13R1.3546 CCC(O)CNC(=O)CCC1CC1 527a_100011218483_100000756386 [0,1,0,1,0,0|1,0,0]=3 18249 B13R1.3546 CCC(O)CNC(=O)NCC1CC1 2708a_100000735609_100011218483 [0,1,0,1,0,0|2,0,0]=4 18250 B13R1.3546 CCC(O)CNC(=O)NCC1CC1 273464a_100000735609_100011218483 [0,1,0,1,0,0|2,0,0]=4 18251 B13R1.3546 CCC(O)CNC(=O)NCC1CC1 273464a_100011218483_100000735609 [0,1,0,1,0,0|2,0,0]=4 18252 B13R1.3546 CCC(O)CNC(=O)NCC1CC1 512a_100011218483_100000735609 [0,1,0,1,0,0|2,0,0]=4 18253 B13R1.3546 CCN(C)CCC(=O)CCC1CC1 1458a_100000755305_100000694398 [0,1,0,1,0,0|2,0,0]=4 18254 B13R1.3546 CCN(C)CCC(=O)NCC1CC1 240690a_100000735609_100000755305 [0,1,0,1,0,0|2,0,0]=4 18255 B13R1.3546 CCS(=O)CCC(=O)CCC1CC1 1458a_100011387550_100000694398 [0,1,0,1,0,0|2,0,0]=4 18256 B13R1.3546 CCS(=O)CCC(=O)NCC1CC1 11a_100000735609_100011387550 [0,1,0,1,0,0|2,0,0]=4 18257 B13R1.3546 CCS(=O)CCC(=O)NCC1CC1 1626a_100000735609_100011387550 [0,1,0,1,0,0|2,0,0]=4 18258 B13R1.3546 CCS(=O)CCC(=O)NCC1CC1 240690a_100000735609_100011387550 [0,1,0,1,0,0|2,0,0]=4 18259 B13R1.3546 CCS(=O)CCC(=O)NCC1CC1 527a_100000735609_100011387550 [0,1,0,1,0,0|2,0,0]=4 18260 B13R1.3546 CO[C@H](C)CNC(=O)CCC1CC1 11a_100020591295_100000756386 [0,1,0,1,0,0|2,0,0]=4 18261 B13R1.3546 CO[C@H](C)CNC(=O)CCC1CC1 1626a_100020591295_100000756386 [0,1,0,1,0,0|2,0,0]=4 18262 B13R1.3546 CO[C@H](C)CNC(=O)CCC1CC1 240690a_100020591295_100000756386 [0,1,0,1,0,0|2,0,0]=4 18263 B13R1.3546 CO[C@H](C)CNC(=O)CCC1CC1 527a_100020591295_100000756386 [0,1,0,1,0,0|2,0,0]=4 18264 B13R1.3546 O=C(CCC1CC1)NC[C@@H](F)CO 240690a_100015665980_100000756386 [0,1,0,1,0,0|2,0,0]=4 18265 B13R1.3546 O=C(CCC1CC1)NC[C@@H](F)CO 527a_100015665980_100000756386 [0,1,0,1,0,0|2,0,0]=4 18266 B13R1.3546 O=C(CCC1CC1)NC[C@H](O)CO 240690a_100020644852_100000756386 [0,1,0,1,0,0|2,0,0]=4 18267 B13R1.3546 O=C(CCC1CC1)NC[C@H](O)CO 527a_100020644852_100000756386 [0,1,0,1,0,0|2,0,0]=4 18268 B13R1.3547 CCC(C)CCC(=O)N1CCC1C 11a_100000755817_100000701222 [0,1,0,1,0,0|1,0,0]=3 18269 B13R1.3547 CCC(C)CCC(=O)N1CCC1C 240690a_100000755817_100000701222 [0,1,0,1,0,0|1,0,0]=3 18270 B13R1.3547 CCC(C)CCC(=O)N1CCC1C 527a_100000755817_100000701222 [0,1,0,1,0,0|1,0,0]=3 18271 B13R1.3547 CCC(C)CNC(=O)N1CCC1C 2708a_100020588543_100000755817 [0,1,0,1,0,0|2,0,0]=4 18272 B13R1.3547 CCC(C)CNC(=O)N1CCC1C 273464a_100020588543_100000755817 [0,1,0,1,0,0|2,0,0]=4 18273 B13R1.3547 CCC(O)CCC(=O)N1CCC1C 240690a_100000755817_203496584001 [0,1,0,1,0,0|1,0,0]=3 18274 B13R1.3547 CCC(O)CNC(=O)N1CCC1C 273464a_100011218483_100000755817 [0,1,0,1,0,0|2,0,0]=4 18275 B13R1.3547 CCN(C)CCC(=O)N1CCC1C 240690a_100000755817_100000755305 [0,1,0,1,0,0|2,0,0]=4 18276 B13R1.3547 CCS(=O)CCC(=O)N1CCC1C 11a_100000755817_100011387550 [0,1,0,1,0,0|2,0,0]=4 18277 B13R1.3547 CCS(=O)CCC(=O)N1CCC1C 240690a_100000755817_100011387550 [0,1,0,1,0,0|2,0,0]=4 18278 B13R1.3547 CCS(=O)CCC(=O)N1CCC1C 527a_100000755817_100011387550 [0,1,0,1,0,0|2,0,0]=4 18279 B13R1.8912 CCCCO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_100000210210 [0,1,0,1,0,0|1,0,1]=4 18280 B13R1.149 CC(C)CCOC1CCCC(C1)C 34a_100000211399_100000210312 [0,1,0,1,0,0|1,0,1]=4 18281 B13R1.149 CC(O)CCOC1CCCC(C1)C 34a_100000211399_100012276601 [0,1,0,1,0,0|1,0,1]=4 18282 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [0,1,0,1,0,0|1,0,1]=4 18283 B13R1.280 CC(C)CNC1CCCCNC1=O 2230a_100000210953_100000735217 [0,1,0,1,0,0|2,0,0]=4 18284 B13R1.280 CC(C)CNC1CCCCNC1=O 2230a_100000698827_100000210760 [0,1,0,1,0,0|2,0,0]=4 18285 B13R1.280 CC(C)CNC1CCCCNC1=O 270004a_100000698827_100000210432 [0,1,0,1,0,0|2,0,0]=4 18286 B13R1.280 CC(C)CNC1CCCCNC1=O 34a_100000698827_100000210624 [0,1,0,1,0,0|2,0,0]=4 18287 B13R1.280 CC(C)CSC1CCCCCC1=O 62a_100000210624_100000243696 [0,1,0,1,0,0|2,0,0]=4 18288 B13R1.280 CC(C)CSC1CCCCCC1=O 62a_100000243696_100000210760 [0,1,0,1,0,0|2,0,0]=4 18289 B13R1.280 CC(C)CSC1CCCCNC1=O 62a_100000210624_100000735217 [0,1,0,1,0,0|2,0,0]=4 18290 B13R1.280 CC(C)CSC1CCCCNC1=O 62a_100000735217_100000210760 [0,1,0,1,0,0|2,0,0]=4 18291 B13R1.280 CC(O)CNC1CCCCNC1=O 2230a_100000210904_100000735217 [0,1,0,1,0,0|2,0,0]=4 18292 B13R1.280 CC(O)CNC1CCCCNC1=O 2230a_100000698827_100011218427 [0,1,0,1,0,0|2,0,0]=4 18293 B13R1.280 CC(O)CNC1CCCCNC1=O 34a_100000698827_100011218427 [0,1,0,1,0,0|2,0,0]=4 18294 B13R1.280 CC(O)CSC1CCCCCC1=O 62a_100000243696_100011218427 [0,1,0,1,0,0|2,0,0]=4 18295 B13R1.280 CC(O)CSC1CCCCCC1=O 62a_100011218427_100000243696 [0,1,0,1,0,0|2,0,0]=4 18296 B13R1.280 CC(O)CSC1CCCCNC1=O 62a_100000735217_100011218427 [0,1,0,1,0,0|2,0,0]=4 18297 B13R1.280 CC(O)CSC1CCCCNC1=O 62a_100011218427_100000735217 [0,1,0,1,0,0|2,0,0]=4 18298 B13R1.280 C[C@@H](O)CNC1CCCCNC1=O 2230a_100000698827_100009817552 [0,1,0,1,0,0|2,0,0]=4 18299 B13R1.280 C[C@@H](O)CNC1CCCCNC1=O 34a_100000698827_100009817552 [0,1,0,1,0,0|2,0,0]=4 18300 B13R1.280 C[C@@H](O)CSC1CCCCCC1=O 62a_100000243696_100009817552 [0,1,0,1,0,0|2,0,0]=4 18301 B13R1.280 C[C@@H](O)CSC1CCCCCC1=O 62a_100009817552_100000243696 [0,1,0,1,0,0|2,0,0]=4 18302 B13R1.280 C[C@@H](O)CSC1CCCCNC1=O 62a_100000735217_100009817552 [0,1,0,1,0,0|2,0,0]=4 18303 B13R1.280 C[C@@H](O)CSC1CCCCNC1=O 62a_100009817552_100000735217 [0,1,0,1,0,0|2,0,0]=4 18304 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [0,1,0,1,0,0|1,0,1]=4 18305 B13R1.342 CC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100011215641 [0,1,0,1,0,0|1,0,1]=4 18306 B13R1.342 CC(=O)CCCC(=O)N1CCCC1 1458a_100000199733_200000210301 [0,1,0,1,0,0|1,0,1]=4 18307 B13R1.342 CC(Br)COCC(=O)N1CCCC1 34a_100012180447_100000183516 [0,1,0,1,0,0|2,0,0]=4 18308 B13R1.342 CC(C)CCCC(=O)C1=CCCC1 1458a_100000038896_100011214892 [0,1,0,1,0,0|1,0,1]=4 18309 B13R1.342 CC(C)CCCC(=O)C1CCCC1 1458a_100000210718_100011214892 [0,1,0,1,0,0|1,0,0]=3 18310 B13R1.342 CC(C)CCCC(=O)C1CCCC1 1458a_100011216857_100000179811 [0,1,0,1,0,0|1,0,0]=3 18311 B13R1.342 CC(C)CCCC(=O)C1CCCS1 1458a_100012002731_100011214892 [0,1,0,1,0,0|2,0,0]=4 18312 B13R1.342 CC(C)CCCC(=O)C1CCOC1 1458a_100011216857_100000690089 [0,1,0,1,0,0|2,0,0]=4 18313 B13R1.342 CC(C)CCCC(=O)C1CCOC1 1458a_100011219752_100011214892 [0,1,0,1,0,0|2,0,0]=4 18314 B13R1.342 CC(C)CCCC(=O)N1CCCC1 240690a_100000188435_100011216857 [0,1,0,1,0,0|1,0,0]=3 18315 B13R1.342 CC(C)CCCC(=O)N1CCCC1 527a_100000188435_100011216857 [0,1,0,1,0,0|1,0,0]=3 18316 B13R1.342 CC(C)CCCC(=O)N1CCSC1 11a_100011215254_100011216857 [0,1,0,1,0,0|2,0,0]=4 18317 B13R1.342 CC(C)CCCC(=O)N1CCSC1 240690a_100011215254_100011216857 [0,1,0,1,0,0|2,0,0]=4 18318 B13R1.342 CC(C)CCCC(=O)N1CCSC1 527a_100011215254_100011216857 [0,1,0,1,0,0|2,0,0]=4 18319 B13R1.342 CC(C)CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011214892 [0,1,0,1,0,0|2,0,0]=4 18320 B13R1.342 CC(C)CCNC(=O)C1CCCC1 11a_100000210545_100000210718 [0,1,0,1,0,0|1,0,0]=3 18321 B13R1.342 CC(C)CCNC(=O)C1CCCC1 1626a_100000210545_100000210718 [0,1,0,1,0,0|1,0,0]=3 18322 B13R1.342 CC(C)CCNC(=O)C1CCCC1 240690a_100000210545_100000210718 [0,1,0,1,0,0|1,0,0]=3 18323 B13R1.342 CC(C)CCNC(=O)C1CCCC1 527a_100000210545_100000210718 [0,1,0,1,0,0|1,0,0]=3 18324 B13R1.342 CC(C)CCNC(=O)C1CCCS1 11a_100000210545_100012002731 [0,1,0,1,0,0|2,0,0]=4 18325 B13R1.342 CC(C)CCNC(=O)C1CCCS1 1626a_100000210545_100012002731 [0,1,0,1,0,0|2,0,0]=4 18326 B13R1.342 CC(C)CCNC(=O)C1CCCS1 240690a_100000210545_100012002731 [0,1,0,1,0,0|2,0,0]=4 18327 B13R1.342 CC(C)CCNC(=O)C1CCCS1 527a_100000210545_100012002731 [0,1,0,1,0,0|2,0,0]=4 18328 B13R1.342 CC(C)CCNC(=O)C1CCOC1 11a_100000210545_100011219752 [0,1,0,1,0,0|2,0,0]=4 18329 B13R1.342 CC(C)CCNC(=O)C1CCOC1 1626a_100000210545_100011219752 [0,1,0,1,0,0|2,0,0]=4 18330 B13R1.342 CC(C)CCNC(=O)C1CCOC1 240690a_100000210545_100011219752 [0,1,0,1,0,0|2,0,0]=4 18331 B13R1.342 CC(C)CCNC(=O)C1CCOC1 527a_100000210545_100011219752 [0,1,0,1,0,0|2,0,0]=4 18332 B13R1.342 CC(C)CCNC(=O)N1CCCC1 2708a_100000210545_100000188435 [0,1,0,1,0,0|2,0,0]=4 18333 B13R1.342 CC(C)CCNC(=O)N1CCCC1 273464a_100000210545_100000188435 [0,1,0,1,0,0|2,0,0]=4 18334 B13R1.342 CC(C)CCNC(=O)[C@@H]1CCCO1 11a_100000210545_100000686382 [0,1,0,1,0,0|2,0,0]=4 18335 B13R1.342 CC(C)CCNC(=O)[C@@H]1CCCO1 1626a_100000210545_100000686382 [0,1,0,1,0,0|2,0,0]=4 18336 B13R1.342 CC(C)CCNC(=O)[C@@H]1CCCO1 240690a_100000210545_100000686382 [0,1,0,1,0,0|2,0,0]=4 18337 B13R1.342 CC(C)CCNC(=O)[C@@H]1CCCO1 527a_100000210545_100000686382 [0,1,0,1,0,0|2,0,0]=4 18338 B13R1.342 CC(C)CCOC(C)C1CCCC1 34a_100011216366_100000210312 [0,1,0,1,0,0|1,0,1]=4 18339 B13R1.342 CC(C)CCOC(C)C1CCCC1 7a_100011216366_100000210626 [0,1,0,1,0,0|1,0,1]=4 18340 B13R1.342 CC(C)CNCC(=O)N1CCCC1 2230a_100000210953_100000183516 [0,1,0,1,0,0|2,0,0]=4 18341 B13R1.342 CC(C)CNCC(=O)N1CCCC1 2230a_100000751844_100000210760 [0,1,0,1,0,0|2,0,0]=4 18342 B13R1.342 CC(C)CNCC(=O)N1CCCC1 270004a_100000751844_100000210432 [0,1,0,1,0,0|2,0,0]=4 18343 B13R1.342 CC(C)CNCC(=O)N1CCCC1 34a_100000210953_100000183516 [0,1,0,1,0,0|2,0,0]=4 18344 B13R1.342 CC(C)CNNC(=O)C1CCCC1 22a_100000696102_100000210718 [0,1,0,1,0,0|2,0,0]=4 18345 B13R1.342 CC(C)COCC(=O)C1CCCC1 1458a_100011223364_100000179811 [0,1,0,1,0,0|2,0,0]=4 18346 B13R1.342 CC(C)COCC(=O)N1CCCC1 240690a_100000188435_100011223364 [0,1,0,1,0,0|2,0,0]=4 18347 B13R1.342 CC(C)COCC(=O)N1CCCC1 34a_100000210257_100000183516 [0,1,0,1,0,0|2,0,0]=4 18348 B13R1.342 CC(C)COCC(=O)N1CCCC1 527a_100000188435_100011223364 [0,1,0,1,0,0|2,0,0]=4 18349 B13R1.342 CC(C)COCC(=O)N1CCCC1 7a_200000752455_100000210760 [0,1,0,1,0,0|2,0,0]=4 18350 B13R1.342 CC(C)CSCC(=O)N1CCCC1 62a_100000183516_100000210760 [0,1,0,1,0,0|2,0,0]=4 18351 B13R1.342 CC(C)CSCC(=O)N1CCCC1 62a_100000210624_100000183516 [0,1,0,1,0,0|2,0,0]=4 18352 B13R1.342 CC(C)NCCC(=O)N1CCCC1 2230a_100138425928_100011194422 [0,1,0,1,0,0|2,0,0]=4 18353 B13R1.342 CC(C)NCCC(=O)N1CCCC1 34a_100138425928_100011194422 [0,1,0,1,0,0|2,0,0]=4 18354 B13R1.342 CC(C)OCCC(=O)C1CCCC1 1458a_100000210718_100000211751 [0,1,0,1,0,0|2,0,0]=4 18355 B13R1.342 CC(C)OCCC(=O)N1CCCC1 34a_100000212225_100011194422 [0,1,0,1,0,0|2,0,0]=4 18356 B13R1.342 CC(C)SCCC(=O)C1CCCC1 1458a_100000210718_100000730970 [0,1,0,1,0,0|2,0,0]=4 18357 B13R1.342 CC(C)SCCC(=O)N1CCCC1 62a_100000210206_100011194422 [0,1,0,1,0,0|2,0,0]=4 18358 B13R1.342 CC(C)SCCC(=O)N1CCCC1 62a_100011194422_100000210206 [0,1,0,1,0,0|2,0,0]=4 18359 B13R1.342 CC(F)COCC(=O)N1CCCC1 34a_100015925927_100000183516 [0,1,0,1,0,0|2,0,0]=4 18360 B13R1.342 CC(O)CCCC(=O)C1=CCCC1 1458a_100000038896_200000718107 [0,1,0,1,0,0|1,0,1]=4 18361 B13R1.342 CC(O)CCCC(=O)C1CCCC1 1458a_100000210718_200000718107 [0,1,0,1,0,0|1,0,0]=3 18362 B13R1.342 CC(O)CCCC(=O)C1CCCS1 1458a_100012002731_200000718107 [0,1,0,1,0,0|2,0,0]=4 18363 B13R1.342 CC(O)CCCC(=O)C1CCOC1 1458a_100011219752_200000718107 [0,1,0,1,0,0|2,0,0]=4 18364 B13R1.342 CC(O)CCCC(=O)N1CCCC1 527a_100000188435_100000761597 [0,1,0,1,0,0|1,0,0]=3 18365 B13R1.342 CC(O)CCCC(=O)N1CCSC1 527a_100011215254_100000761597 [0,1,0,1,0,0|2,0,0]=4 18366 B13R1.342 CC(O)CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_200000718107 [0,1,0,1,0,0|2,0,0]=4 18367 B13R1.342 CC(O)CCNC(=O)C1CCCC1 240690a_200000755665_100000210718 [0,1,0,1,0,0|1,0,0]=3 18368 B13R1.342 CC(O)CCNC(=O)C1CCCC1 527a_200000755665_100000210718 [0,1,0,1,0,0|1,0,0]=3 18369 B13R1.342 CC(O)CCNC(=O)C1CCCS1 240690a_200000755665_100012002731 [0,1,0,1,0,0|2,0,0]=4 18370 B13R1.342 CC(O)CCNC(=O)C1CCCS1 527a_200000755665_100012002731 [0,1,0,1,0,0|2,0,0]=4 18371 B13R1.342 CC(O)CCNC(=O)C1CCOC1 240690a_200000755665_100011219752 [0,1,0,1,0,0|2,0,0]=4 18372 B13R1.342 CC(O)CCNC(=O)C1CCOC1 527a_200000755665_100011219752 [0,1,0,1,0,0|2,0,0]=4 18373 B13R1.342 CC(O)CCNC(=O)N1CCCC1 273464a_200000755665_100000188435 [0,1,0,1,0,0|2,0,0]=4 18374 B13R1.342 CC(O)CCNC(=O)[C@@H]1CCCO1 240690a_200000755665_100000686382 [0,1,0,1,0,0|2,0,0]=4 18375 B13R1.342 CC(O)CCNC(=O)[C@@H]1CCCO1 527a_200000755665_100000686382 [0,1,0,1,0,0|2,0,0]=4 18376 B13R1.342 CC(O)CCOC(C)C1CCCC1 34a_100011216366_100012276601 [0,1,0,1,0,0|1,0,1]=4 18377 B13R1.342 CC(O)CCOC(C)C1CCCC1 7a_100011216366_100012276601 [0,1,0,1,0,0|1,0,1]=4 18378 B13R1.342 CC(O)CNCC(=O)N1CCCC1 2230a_100000210904_100000183516 [0,1,0,1,0,0|2,0,0]=4 18379 B13R1.342 CC(O)CNCC(=O)N1CCCC1 2230a_100000751844_100011218427 [0,1,0,1,0,0|2,0,0]=4 18380 B13R1.342 CC(O)CNCC(=O)N1CCCC1 34a_100000210904_100000183516 [0,1,0,1,0,0|2,0,0]=4 18381 B13R1.342 CC(O)CNNC(=O)C1CCCC1 22a_200000730056_100000210718 [0,1,0,1,0,0|2,0,0]=4 18382 B13R1.342 CC(O)COCC(=O)N1CCCC1 7a_200000752455_100011218427 [0,1,0,1,0,0|2,0,0]=4 18383 B13R1.342 CC(O)CSCC(=O)N1CCCC1 62a_100000183516_100011218427 [0,1,0,1,0,0|2,0,0]=4 18384 B13R1.342 CC(O)CSCC(=O)N1CCCC1 62a_100011218427_100000183516 [0,1,0,1,0,0|2,0,0]=4 18385 B13R1.342 CN(C)CCCC(=O)C1CCCC1 1458a_100000210718_100000695564 [0,1,0,1,0,0|2,0,0]=4 18386 B13R1.342 CN(C)CCCC(=O)N1CCCC1 240690a_100000188435_100000740757 [0,1,0,1,0,0|2,0,0]=4 18387 B13R1.342 CN(C)CCNC(=O)C1CCCC1 240690a_100000210585_100000210718 [0,1,0,1,0,0|2,0,0]=4 18388 B13R1.342 CN(C)CCNC(=O)C1CCCC1 527a_100000210585_100000210718 [0,1,0,1,0,0|2,0,0]=4 18389 B13R1.342 C[C@@H](Cl)COCC(=O)N1CCCC1 34a_100016084084_100000183516 [0,1,0,1,0,0|2,0,0]=4 18390 B13R1.342 C[C@@H](N)COCC(=O)N1CCCC1 34a_100000737577_100000183516 [0,1,0,1,0,0|2,0,0]=4 18391 B13R1.342 C[C@@H](O)CNCC(=O)N1CCCC1 2230a_100000751844_100009817552 [0,1,0,1,0,0|2,0,0]=4 18392 B13R1.342 C[C@@H](O)COCC(=O)N1CCCC1 7a_200000752455_100009817552 [0,1,0,1,0,0|2,0,0]=4 18393 B13R1.342 C[C@@H](O)CSCC(=O)N1CCCC1 62a_100000183516_100009817552 [0,1,0,1,0,0|2,0,0]=4 18394 B13R1.342 C[C@@H](O)CSCC(=O)N1CCCC1 62a_100009817552_100000183516 [0,1,0,1,0,0|2,0,0]=4 18395 B13R1.342 [13CH3]C(=O)CCCC(=O)N1CCCC1 1458a_100000199733_200025704644 [0,1,0,1,0,0|1,0,1]=4 18396 B13R1.727 C=C1CC(C1)NC(=O)CCCCC 11a_100132301982_100000212188 [0,1,0,1,0,0|1,0,1]=4 18397 B13R1.727 C=C1CC(C1)NC(=O)CCCCC 1626a_100132301982_100000212188 [0,1,0,1,0,0|1,0,1]=4 18398 B13R1.727 C=C1CC(C1)NC(=O)CCCCC 527a_100132301982_100000212188 [0,1,0,1,0,0|1,0,1]=4 18399 B13R1.727 CCCCCC(=O)CC1CC(=O)C1 1458a_100000212188_100009874392 [0,1,0,1,0,0|1,0,1]=4 18400 B13R1.727 CCCCCC(=O)CN1CC(C1)C 2230a_100000702820_200012276598 [0,1,0,1,0,0|2,0,0]=4 18401 B13R1.727 CCCCCC(=O)CN1CC(C1)C 269982a_100000702820_200012276598 [0,1,0,1,0,0|2,0,0]=4 18402 B13R1.727 CCCCCC(=O)CN1CC(C1)C 34a_100000702820_200012276598 [0,1,0,1,0,0|2,0,0]=4 18403 B13R1.727 CCCCCC(=O)CN1CC(C1)F 2230a_100000690557_200012276598 [0,1,0,1,0,0|2,0,0]=4 18404 B13R1.727 CCCCCC(=O)CN1CC(C1)F 269982a_100000690557_200012276598 [0,1,0,1,0,0|2,0,0]=4 18405 B13R1.727 CCCCCC(=O)CN1CC(C1)F 34a_100000690557_200012276598 [0,1,0,1,0,0|2,0,0]=4 18406 B13R1.727 CCCCCC(=O)CN1CC(C1)O 269982a_100000749847_200012276598 [0,1,0,1,0,0|2,0,0]=4 18407 B13R1.727 CCCCCC(=O)NC1CC(C1)F 11a_100016993743_100000212188 [0,1,0,1,0,0|1,0,0]=3 18408 B13R1.727 CCCCCC(=O)NC1CC(C1)F 1626a_100016993743_100000212188 [0,1,0,1,0,0|1,0,0]=3 18409 B13R1.727 CCCCCC(=O)NC1CC(C1)F 240690a_100016993743_100000212188 [0,1,0,1,0,0|1,0,0]=3 18410 B13R1.727 CCCCCC(=O)NC1CC(C1)F 527a_100016993743_100000212188 [0,1,0,1,0,0|1,0,0]=3 18411 B13R1.727 CCCCCC(=O)NC1CN(C1)C 240690a_100015196640_100000212188 [0,1,0,1,0,0|2,0,0]=4 18412 B13R1.727 CCCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000212188 [0,1,0,1,0,0|1,0,0]=3 18413 B13R1.727 CCCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000212188 [0,1,0,1,0,0|1,0,0]=3 18414 B13R1.727 CCCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000212188 [0,1,0,1,0,0|1,0,0]=3 18415 B13R1.727 CCCCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000212188 [0,1,0,1,0,0|1,0,0]=3 18416 B13R1.727 CCCCNC(=O)CN1CC(C1)C 2230a_100000702820_100000182744 [0,1,0,1,0,0|2,0,0]=4 18417 B13R1.727 CCCCNC(=O)CN1CC(C1)C 269982a_100000702820_100000182744 [0,1,0,1,0,0|2,0,0]=4 18418 B13R1.727 CCCCNC(=O)CN1CC(C1)C 34a_100000702820_100000182744 [0,1,0,1,0,0|2,0,0]=4 18419 B13R1.727 CCCCNC(=O)CN1CC(C1)F 2230a_100000690557_100000182744 [0,1,0,1,0,0|2,0,0]=4 18420 B13R1.727 CCCCNC(=O)CN1CC(C1)F 269982a_100000690557_100000182744 [0,1,0,1,0,0|2,0,0]=4 18421 B13R1.727 CCCCNC(=O)CN1CC(C1)F 34a_100000690557_100000182744 [0,1,0,1,0,0|2,0,0]=4 18422 B13R1.727 CCCCNC(=O)CN1CC(C1)O 269982a_100000749847_100000182744 [0,1,0,1,0,0|2,0,0]=4 18423 B13R1.727 CCCCNC(=O)NC1CC(C1)F 2708a_100000102301_100016993743 [0,1,0,1,0,0|2,0,0]=4 18424 B13R1.727 CCCCNC(=O)NC1CC(C1)F 2708a_100016993743_100000102301 [0,1,0,1,0,0|2,0,0]=4 18425 B13R1.727 CCCCNC(=O)NC1CC(C1)F 273464a_100000102301_100016993743 [0,1,0,1,0,0|2,0,0]=4 18426 B13R1.727 CCCCNC(=O)NC1CC(C1)F 273464a_100016993743_100000102301 [0,1,0,1,0,0|2,0,0]=4 18427 B13R1.727 CCCCNC(=O)NC1CC(C1)F 512a_100000102301_100016993743 [0,1,0,1,0,0|2,0,0]=4 18428 B13R1.727 CCCCNC(=O)NC1CC(C1)F 512a_100016993743_100000102301 [0,1,0,1,0,0|2,0,0]=4 18429 B13R1.727 CCCCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100000102301_100020629032 [0,1,0,1,0,0|2,0,0]=4 18430 B13R1.727 CCCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100000102301_100020629032 [0,1,0,1,0,0|2,0,0]=4 18431 B13R1.727 CCCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100000102301 [0,1,0,1,0,0|2,0,0]=4 18432 B13R1.727 CCCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100000102301_100020629032 [0,1,0,1,0,0|2,0,0]=4 18433 B13R1.727 CCCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100000102301 [0,1,0,1,0,0|2,0,0]=4 18434 B13R1.727 CCCCOC(=O)CN1CC(C1)C 2230a_100000702820_100000211628 [0,1,0,1,0,0|1,0,0]=3 18435 B13R1.727 CCCCOC(=O)CN1CC(C1)C 269982a_100000702820_100000211628 [0,1,0,1,0,0|1,0,0]=3 18436 B13R1.727 CCCCOC(=O)CN1CC(C1)C 34a_100000702820_100000211628 [0,1,0,1,0,0|1,0,0]=3 18437 B13R1.727 CCCCOC(=O)CN1CC(C1)F 2230a_100000690557_100000211628 [0,1,0,1,0,0|1,0,0]=3 18438 B13R1.727 CCCCOC(=O)CN1CC(C1)F 269982a_100000690557_100000211628 [0,1,0,1,0,0|1,0,0]=3 18439 B13R1.727 CCCCOC(=O)CN1CC(C1)F 34a_100000690557_100000211628 [0,1,0,1,0,0|1,0,0]=3 18440 B13R1.727 CCCCOC(=O)CN1CC(C1)O 269982a_100000749847_100000211628 [0,1,0,1,0,0|1,0,0]=3 18441 B13R1.727 CCCOCC(=O)NC1CC(C1)F 11a_100016993743_100000745993 [0,1,0,1,0,0|2,0,0]=4 18442 B13R1.727 CCCOCC(=O)NC1CC(C1)F 1626a_100016993743_100000745993 [0,1,0,1,0,0|2,0,0]=4 18443 B13R1.727 CCCOCC(=O)NC1CC(C1)F 240690a_100016993743_100000745993 [0,1,0,1,0,0|2,0,0]=4 18444 B13R1.727 CCCOCC(=O)NC1CC(C1)F 527a_100016993743_100000745993 [0,1,0,1,0,0|2,0,0]=4 18445 B13R1.727 CCCOCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000745993 [0,1,0,1,0,0|2,0,0]=4 18446 B13R1.727 CCCOCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000745993 [0,1,0,1,0,0|2,0,0]=4 18447 B13R1.727 CCCOCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000745993 [0,1,0,1,0,0|2,0,0]=4 18448 B13R1.727 CCCOCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000745993 [0,1,0,1,0,0|2,0,0]=4 18449 B13R1.727 CCCSCC(=O)NC1CC(C1)F 11a_100016993743_100000217233 [0,1,0,1,0,0|2,0,0]=4 18450 B13R1.727 CCCSCC(=O)NC1CC(C1)F 1626a_100016993743_100000217233 [0,1,0,1,0,0|2,0,0]=4 18451 B13R1.727 CCCSCC(=O)NC1CC(C1)F 240690a_100016993743_100000217233 [0,1,0,1,0,0|2,0,0]=4 18452 B13R1.727 CCCSCC(=O)NC1CC(C1)F 527a_100016993743_100000217233 [0,1,0,1,0,0|2,0,0]=4 18453 B13R1.727 CCCSCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000217233 [0,1,0,1,0,0|2,0,0]=4 18454 B13R1.727 CCCSCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000217233 [0,1,0,1,0,0|2,0,0]=4 18455 B13R1.727 CCCSCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000217233 [0,1,0,1,0,0|2,0,0]=4 18456 B13R1.727 CCCSCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000217233 [0,1,0,1,0,0|2,0,0]=4 18457 B13R1.727 CCOCCC(=O)NC1CC(C1)F 11a_100016993743_100000749530 [0,1,0,1,0,0|2,0,0]=4 18458 B13R1.727 CCOCCC(=O)NC1CC(C1)F 1626a_100016993743_100000749530 [0,1,0,1,0,0|2,0,0]=4 18459 B13R1.727 CCOCCC(=O)NC1CC(C1)F 240690a_100016993743_100000749530 [0,1,0,1,0,0|2,0,0]=4 18460 B13R1.727 CCOCCC(=O)NC1CC(C1)F 527a_100016993743_100000749530 [0,1,0,1,0,0|2,0,0]=4 18461 B13R1.727 CCOCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000749530 [0,1,0,1,0,0|2,0,0]=4 18462 B13R1.727 CCOCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000749530 [0,1,0,1,0,0|2,0,0]=4 18463 B13R1.727 CCOCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000749530 [0,1,0,1,0,0|2,0,0]=4 18464 B13R1.727 CCOCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000749530 [0,1,0,1,0,0|2,0,0]=4 18465 B13R1.727 CCSCCC(=O)NC1CC(C1)F 11a_100016993743_100000230768 [0,1,0,1,0,0|2,0,0]=4 18466 B13R1.727 CCSCCC(=O)NC1CC(C1)F 1626a_100016993743_100000230768 [0,1,0,1,0,0|2,0,0]=4 18467 B13R1.727 CCSCCC(=O)NC1CC(C1)F 240690a_100016993743_100000230768 [0,1,0,1,0,0|2,0,0]=4 18468 B13R1.727 CCSCCC(=O)NC1CC(C1)F 527a_100016993743_100000230768 [0,1,0,1,0,0|2,0,0]=4 18469 B13R1.727 CCSCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000230768 [0,1,0,1,0,0|2,0,0]=4 18470 B13R1.727 CCSCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000230768 [0,1,0,1,0,0|2,0,0]=4 18471 B13R1.727 CCSCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000230768 [0,1,0,1,0,0|2,0,0]=4 18472 B13R1.727 CCSCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000230768 [0,1,0,1,0,0|2,0,0]=4 18473 B13R1.727 COCCCC(=O)NC1CC(C1)F 11a_100016993743_100000741012 [0,1,0,1,0,0|2,0,0]=4 18474 B13R1.727 COCCCC(=O)NC1CC(C1)F 1626a_100016993743_100000741012 [0,1,0,1,0,0|2,0,0]=4 18475 B13R1.727 COCCCC(=O)NC1CC(C1)F 240690a_100016993743_100000741012 [0,1,0,1,0,0|2,0,0]=4 18476 B13R1.727 COCCCC(=O)NC1CC(C1)F 527a_100016993743_100000741012 [0,1,0,1,0,0|2,0,0]=4 18477 B13R1.727 COCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000741012 [0,1,0,1,0,0|2,0,0]=4 18478 B13R1.727 COCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000741012 [0,1,0,1,0,0|2,0,0]=4 18479 B13R1.727 COCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000741012 [0,1,0,1,0,0|2,0,0]=4 18480 B13R1.727 COCCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000741012 [0,1,0,1,0,0|2,0,0]=4 18481 B13R1.727 COCCOC(=O)CN1CC(C1)C 2230a_100000702820_200000040189 [0,1,0,1,0,0|2,0,0]=4 18482 B13R1.727 COCCOC(=O)CN1CC(C1)C 269982a_100000702820_200000040189 [0,1,0,1,0,0|2,0,0]=4 18483 B13R1.727 COCCOC(=O)CN1CC(C1)C 34a_100000702820_200000040189 [0,1,0,1,0,0|2,0,0]=4 18484 B13R1.727 COCCOC(=O)CN1CC(C1)F 2230a_100000690557_200000040189 [0,1,0,1,0,0|2,0,0]=4 18485 B13R1.727 COCCOC(=O)CN1CC(C1)F 269982a_100000690557_200000040189 [0,1,0,1,0,0|2,0,0]=4 18486 B13R1.727 COCCOC(=O)CN1CC(C1)F 34a_100000690557_200000040189 [0,1,0,1,0,0|2,0,0]=4 18487 B13R1.727 COCCOC(=O)CN1CC(C1)O 269982a_100000749847_200000040189 [0,1,0,1,0,0|2,0,0]=4 18488 B13R1.727 CSCCCC(=O)NC1CC(C1)F 11a_100016993743_100000173376 [0,1,0,1,0,0|2,0,0]=4 18489 B13R1.727 CSCCCC(=O)NC1CC(C1)F 1626a_100016993743_100000173376 [0,1,0,1,0,0|2,0,0]=4 18490 B13R1.727 CSCCCC(=O)NC1CC(C1)F 240690a_100016993743_100000173376 [0,1,0,1,0,0|2,0,0]=4 18491 B13R1.727 CSCCCC(=O)NC1CC(C1)F 527a_100016993743_100000173376 [0,1,0,1,0,0|2,0,0]=4 18492 B13R1.727 CSCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000173376 [0,1,0,1,0,0|2,0,0]=4 18493 B13R1.727 CSCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000173376 [0,1,0,1,0,0|2,0,0]=4 18494 B13R1.727 CSCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000173376 [0,1,0,1,0,0|2,0,0]=4 18495 B13R1.727 CSCCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000173376 [0,1,0,1,0,0|2,0,0]=4 18496 B13R1.727 O=C(CCCCO)NC1CC(C1)F 1626a_100016993743_100000695505 [0,1,0,1,0,0|2,0,0]=4 18497 B13R1.727 O=C(CCCCO)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000695505 [0,1,0,1,0,0|2,0,0]=4 18498 B13R1.1047 CC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100011215641 [0,1,0,1,0,0|1,0,1]=4 18499 B13R1.1047 CC(C)CCCC(=O)C=C1CCC1 1458a_100000686340_100011214892 [0,1,0,1,0,0|1,0,1]=4 18500 B13R1.1047 CC(C)CCCC(=O)CC1CCC1 1458a_100000763092_100011214892 [0,1,0,1,0,0|1,0,0]=3 18501 B13R1.1047 CC(C)CCCC(=O)CC1CCC1 1458a_100011216857_100000763275 [0,1,0,1,0,0|1,0,0]=3 18502 B13R1.1047 CC(C)CCCC(=O)CC1CCO1 1458a_100011216857_100000103362 [0,1,0,1,0,0|2,0,0]=4 18503 B13R1.1047 CC(C)CCCC(=O)CC1COC1 1458a_100000687760_100011214892 [0,1,0,1,0,0|2,0,0]=4 18504 B13R1.1047 CC(C)CCCC(=O)CC1COC1 1458a_100011216857_100010264016 [0,1,0,1,0,0|2,0,0]=4 18505 B13R1.1047 CC(C)CCCC(=O)NC1CCC1 11a_100000749019_100011216857 [0,1,0,1,0,0|1,0,0]=3 18506 B13R1.1047 CC(C)CCCC(=O)NC1CCC1 1626a_100000749019_100011216857 [0,1,0,1,0,0|1,0,0]=3 18507 B13R1.1047 CC(C)CCCC(=O)NC1CCC1 240690a_100000749019_100011216857 [0,1,0,1,0,0|1,0,0]=3 18508 B13R1.1047 CC(C)CCCC(=O)NC1CCC1 527a_100000749019_100011216857 [0,1,0,1,0,0|1,0,0]=3 18509 B13R1.1047 CC(C)CCCC(=O)NC1COC1 11a_100016991112_100011216857 [0,1,0,1,0,0|2,0,0]=4 18510 B13R1.1047 CC(C)CCCC(=O)NC1COC1 1626a_100016991112_100011216857 [0,1,0,1,0,0|2,0,0]=4 18511 B13R1.1047 CC(C)CCCC(=O)NC1COC1 240690a_100016991112_100011216857 [0,1,0,1,0,0|2,0,0]=4 18512 B13R1.1047 CC(C)CCCC(=O)NC1COC1 527a_100016991112_100011216857 [0,1,0,1,0,0|2,0,0]=4 18513 B13R1.1047 CC(C)CCCC(=O)NC1CSC1 11a_100016994217_100011216857 [0,1,0,1,0,0|2,0,0]=4 18514 B13R1.1047 CC(C)CCCC(=O)NC1CSC1 1626a_100016994217_100011216857 [0,1,0,1,0,0|2,0,0]=4 18515 B13R1.1047 CC(C)CCCC(=O)NC1CSC1 240690a_100016994217_100011216857 [0,1,0,1,0,0|2,0,0]=4 18516 B13R1.1047 CC(C)CCCC(=O)NC1CSC1 527a_100016994217_100011216857 [0,1,0,1,0,0|2,0,0]=4 18517 B13R1.1047 CC(C)CCCC(C)OC1CCC1 34a_200011218570_100000749161 [0,1,0,1,0,0|1,0,1]=4 18518 B13R1.1047 CC(C)CCNC(=O)CC1CCC1 11a_100000210545_100000763092 [0,1,0,1,0,0|1,0,0]=3 18519 B13R1.1047 CC(C)CCNC(=O)CC1CCC1 1626a_100000210545_100000763092 [0,1,0,1,0,0|1,0,0]=3 18520 B13R1.1047 CC(C)CCNC(=O)CC1CCC1 240690a_100000210545_100000763092 [0,1,0,1,0,0|1,0,0]=3 18521 B13R1.1047 CC(C)CCNC(=O)CC1CCC1 527a_100000210545_100000763092 [0,1,0,1,0,0|1,0,0]=3 18522 B13R1.1047 CC(C)CCNC(=O)CC1COC1 11a_100000210545_100000687760 [0,1,0,1,0,0|2,0,0]=4 18523 B13R1.1047 CC(C)CCNC(=O)CC1COC1 1626a_100000210545_100000687760 [0,1,0,1,0,0|2,0,0]=4 18524 B13R1.1047 CC(C)CCNC(=O)NC1CCC1 2708a_100000210545_100000749019 [0,1,0,1,0,0|2,0,0]=4 18525 B13R1.1047 CC(C)CCNC(=O)NC1CCC1 273464a_100000210545_100000749019 [0,1,0,1,0,0|2,0,0]=4 18526 B13R1.1047 CC(C)CCNC(=O)NC1CCC1 273464a_100000749019_100000210545 [0,1,0,1,0,0|2,0,0]=4 18527 B13R1.1047 CC(C)CCNC(=O)NC1CCC1 512a_100000210545_100000749019 [0,1,0,1,0,0|2,0,0]=4 18528 B13R1.1047 CC(C)CCNC(=O)NC1CCC1 512a_100000749019_100000210545 [0,1,0,1,0,0|2,0,0]=4 18529 B13R1.1047 CC(C)CNNC(=O)CC1CCC1 22a_100000696102_100000763092 [0,1,0,1,0,0|2,0,0]=4 18530 B13R1.1047 CC(C)COCC(=O)CC1CCC1 1458a_100011223364_100000763275 [0,1,0,1,0,0|2,0,0]=4 18531 B13R1.1047 CC(C)COCC(=O)NC1CCC1 11a_100000749019_100011223364 [0,1,0,1,0,0|2,0,0]=4 18532 B13R1.1047 CC(C)COCC(=O)NC1CCC1 1626a_100000749019_100011223364 [0,1,0,1,0,0|2,0,0]=4 18533 B13R1.1047 CC(C)COCC(=O)NC1CCC1 240690a_100000749019_100011223364 [0,1,0,1,0,0|2,0,0]=4 18534 B13R1.1047 CC(C)COCC(=O)NC1CCC1 527a_100000749019_100011223364 [0,1,0,1,0,0|2,0,0]=4 18535 B13R1.1047 CC(C)OCCC(=O)CC1CCC1 1458a_100000763092_100000211751 [0,1,0,1,0,0|2,0,0]=4 18536 B13R1.1047 CC(C)SCCC(=O)CC1CCC1 1458a_100000763092_100000730970 [0,1,0,1,0,0|2,0,0]=4 18537 B13R1.1047 CC(O)CCCC(=O)C=C1CCC1 1458a_100000686340_200000718107 [0,1,0,1,0,0|1,0,1]=4 18538 B13R1.1047 CC(O)CCCC(=O)CC1CCC1 1458a_100000763092_200000718107 [0,1,0,1,0,0|1,0,0]=3 18539 B13R1.1047 CC(O)CCCC(=O)CC1COC1 1458a_100000687760_200000718107 [0,1,0,1,0,0|2,0,0]=4 18540 B13R1.1047 CC(O)CCCC(=O)NC1CCC1 1626a_100000749019_100000761597 [0,1,0,1,0,0|1,0,0]=3 18541 B13R1.1047 CC(O)CCCC(=O)NC1CCC1 527a_100000749019_100000761597 [0,1,0,1,0,0|1,0,0]=3 18542 B13R1.1047 CC(O)CCCC(=O)NC1COC1 1626a_100016991112_100000761597 [0,1,0,1,0,0|2,0,0]=4 18543 B13R1.1047 CC(O)CCCC(=O)NC1COC1 527a_100016991112_100000761597 [0,1,0,1,0,0|2,0,0]=4 18544 B13R1.1047 CC(O)CCCC(=O)NC1CSC1 1626a_100016994217_100000761597 [0,1,0,1,0,0|2,0,0]=4 18545 B13R1.1047 CC(O)CCCC(=O)NC1CSC1 527a_100016994217_100000761597 [0,1,0,1,0,0|2,0,0]=4 18546 B13R1.1047 CC(O)CCNC(=O)CC1CCC1 240690a_200000755665_100000763092 [0,1,0,1,0,0|1,0,0]=3 18547 B13R1.1047 CC(O)CCNC(=O)CC1CCC1 527a_200000755665_100000763092 [0,1,0,1,0,0|1,0,0]=3 18548 B13R1.1047 CC(O)CCNC(=O)NC1CCC1 273464a_200000755665_100000749019 [0,1,0,1,0,0|2,0,0]=4 18549 B13R1.1047 CC(O)CCNC(=O)NC1CCC1 512a_100000749019_200000755665 [0,1,0,1,0,0|2,0,0]=4 18550 B13R1.1047 CC(O)CCNC(=O)NC1CCC1 512a_200000755665_100000749019 [0,1,0,1,0,0|2,0,0]=4 18551 B13R1.1047 CC(O)CNNC(=O)CC1CCC1 22a_200000730056_100000763092 [0,1,0,1,0,0|2,0,0]=4 18552 B13R1.1047 CN(C)CCCC(=O)CC1CCC1 1458a_100000763092_100000695564 [0,1,0,1,0,0|2,0,0]=4 18553 B13R1.1047 CN(C)CCCC(=O)NC1CCC1 11a_100000749019_100000740757 [0,1,0,1,0,0|2,0,0]=4 18554 B13R1.1047 CN(C)CCCC(=O)NC1CCC1 240690a_100000749019_100000740757 [0,1,0,1,0,0|2,0,0]=4 18555 B13R1.1047 CN(C)CCNC(=O)CC1CCC1 240690a_100000210585_100000763092 [0,1,0,1,0,0|2,0,0]=4 18556 B13R1.1047 CN(C)CCNC(=O)CC1CCC1 527a_100000210585_100000763092 [0,1,0,1,0,0|2,0,0]=4 18557 B13R1.1048 CC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100011215641 [0,1,0,1,0,0|1,0,1]=4 18558 B13R1.1048 CC(C)CCCC(=O)C=CC1CC1 1458a_100102529529_100011214892 [0,1,0,1,0,0|1,0,1]=4 18559 B13R1.1048 CC(C)CCCC(=O)CCC1CC1 1458a_100000756386_100011214892 [0,1,0,1,0,0|1,0,0]=3 18560 B13R1.1048 CC(C)CCCC(=O)CCC1CC1 1458a_100011216857_100000694398 [0,1,0,1,0,0|1,0,0]=3 18561 B13R1.1048 CC(C)CCCC(=O)CCC1CO1 1458a_100011216857_100000732470 [0,1,0,1,0,0|2,0,0]=4 18562 B13R1.1048 CC(C)CCCC(=O)NCC1CC1 11a_100000735609_100011216857 [0,1,0,1,0,0|1,0,0]=3 18563 B13R1.1048 CC(C)CCCC(=O)NCC1CC1 1626a_100000735609_100011216857 [0,1,0,1,0,0|1,0,0]=3 18564 B13R1.1048 CC(C)CCCC(=O)NCC1CC1 240690a_100000735609_100011216857 [0,1,0,1,0,0|1,0,0]=3 18565 B13R1.1048 CC(C)CCCC(=O)NCC1CC1 527a_100000735609_100011216857 [0,1,0,1,0,0|1,0,0]=3 18566 B13R1.1048 CC(C)CCCC(=O)NNC1CC1 22a_100000701032_100011216857 [0,1,0,1,0,0|2,0,0]=4 18567 B13R1.1048 CC(C)CCCC(C)OCC1CC1 34a_200011218570_100000742324 [0,1,0,1,0,0|1,0,1]=4 18568 B13R1.1048 CC(C)CCCC(C)OCC1CC1 7a_200011218570_100000742324 [0,1,0,1,0,0|1,0,1]=4 18569 B13R1.1048 CC(C)CCNC(=O)CCC1CC1 11a_100000210545_100000756386 [0,1,0,1,0,0|1,0,0]=3 18570 B13R1.1048 CC(C)CCNC(=O)CCC1CC1 1626a_100000210545_100000756386 [0,1,0,1,0,0|1,0,0]=3 18571 B13R1.1048 CC(C)CCNC(=O)CCC1CC1 240690a_100000210545_100000756386 [0,1,0,1,0,0|1,0,0]=3 18572 B13R1.1048 CC(C)CCNC(=O)CCC1CC1 527a_100000210545_100000756386 [0,1,0,1,0,0|1,0,0]=3 18573 B13R1.1048 CC(C)CCNC(=O)NCC1CC1 2708a_100000210545_100000735609 [0,1,0,1,0,0|2,0,0]=4 18574 B13R1.1048 CC(C)CCNC(=O)NCC1CC1 2708a_100000735609_100000210545 [0,1,0,1,0,0|2,0,0]=4 18575 B13R1.1048 CC(C)CCNC(=O)NCC1CC1 273464a_100000210545_100000735609 [0,1,0,1,0,0|2,0,0]=4 18576 B13R1.1048 CC(C)CCNC(=O)NCC1CC1 273464a_100000735609_100000210545 [0,1,0,1,0,0|2,0,0]=4 18577 B13R1.1048 CC(C)CCNC(=O)NCC1CC1 512a_100000210545_100000735609 [0,1,0,1,0,0|2,0,0]=4 18578 B13R1.1048 CC(C)CCNC(=O)NCC1CC1 512a_100000735609_100000210545 [0,1,0,1,0,0|2,0,0]=4 18579 B13R1.1048 CC(C)CNNC(=O)CCC1CC1 22a_100000696102_100000756386 [0,1,0,1,0,0|2,0,0]=4 18580 B13R1.1048 CC(C)COCC(=O)CCC1CC1 1458a_100011223364_100000694398 [0,1,0,1,0,0|2,0,0]=4 18581 B13R1.1048 CC(C)COCC(=O)NCC1CC1 11a_100000735609_100011223364 [0,1,0,1,0,0|2,0,0]=4 18582 B13R1.1048 CC(C)COCC(=O)NCC1CC1 1626a_100000735609_100011223364 [0,1,0,1,0,0|2,0,0]=4 18583 B13R1.1048 CC(C)COCC(=O)NCC1CC1 240690a_100000735609_100011223364 [0,1,0,1,0,0|2,0,0]=4 18584 B13R1.1048 CC(C)COCC(=O)NCC1CC1 527a_100000735609_100011223364 [0,1,0,1,0,0|2,0,0]=4 18585 B13R1.1048 CC(C)OCCC(=O)CCC1CC1 1458a_100000756386_100000211751 [0,1,0,1,0,0|2,0,0]=4 18586 B13R1.1048 CC(C)SCCC(=O)CCC1CC1 1458a_100000756386_100000730970 [0,1,0,1,0,0|2,0,0]=4 18587 B13R1.1048 CC(O)CCCC(=O)C=CC1CC1 1458a_100102529529_200000718107 [0,1,0,1,0,0|1,0,1]=4 18588 B13R1.1048 CC(O)CCCC(=O)CCC1CC1 1458a_100000756386_200000718107 [0,1,0,1,0,0|1,0,0]=3 18589 B13R1.1048 CC(O)CCCC(=O)NCC1CC1 1626a_100000735609_100000761597 [0,1,0,1,0,0|1,0,0]=3 18590 B13R1.1048 CC(O)CCCC(=O)NCC1CC1 527a_100000735609_100000761597 [0,1,0,1,0,0|1,0,0]=3 18591 B13R1.1048 CC(O)CCCC(=O)NNC1CC1 22a_100000701032_100000761597 [0,1,0,1,0,0|2,0,0]=4 18592 B13R1.1048 CC(O)CCNC(=O)CCC1CC1 240690a_200000755665_100000756386 [0,1,0,1,0,0|1,0,0]=3 18593 B13R1.1048 CC(O)CCNC(=O)CCC1CC1 527a_200000755665_100000756386 [0,1,0,1,0,0|1,0,0]=3 18594 B13R1.1048 CC(O)CCNC(=O)NCC1CC1 2708a_100000735609_200000755665 [0,1,0,1,0,0|2,0,0]=4 18595 B13R1.1048 CC(O)CCNC(=O)NCC1CC1 273464a_200000755665_100000735609 [0,1,0,1,0,0|2,0,0]=4 18596 B13R1.1048 CC(O)CCNC(=O)NCC1CC1 512a_100000735609_200000755665 [0,1,0,1,0,0|2,0,0]=4 18597 B13R1.1048 CC(O)CCNC(=O)NCC1CC1 512a_200000755665_100000735609 [0,1,0,1,0,0|2,0,0]=4 18598 B13R1.1048 CC(O)CNNC(=O)CCC1CC1 22a_200000730056_100000756386 [0,1,0,1,0,0|2,0,0]=4 18599 B13R1.1048 CN(C)CCCC(=O)CCC1CC1 1458a_100000756386_100000695564 [0,1,0,1,0,0|2,0,0]=4 18600 B13R1.1048 CN(C)CCCC(=O)NCC1CC1 11a_100000735609_100000740757 [0,1,0,1,0,0|2,0,0]=4 18601 B13R1.1048 CN(C)CCCC(=O)NCC1CC1 240690a_100000735609_100000740757 [0,1,0,1,0,0|2,0,0]=4 18602 B13R1.1048 CN(C)CCNC(=O)CCC1CC1 240690a_100000210585_100000756386 [0,1,0,1,0,0|2,0,0]=4 18603 B13R1.1048 CN(C)CCNC(=O)CCC1CC1 527a_100000210585_100000756386 [0,1,0,1,0,0|2,0,0]=4 18604 B13R1.1988 CC(Br)CCOC1CCCCCC1 34a_100009893172_100011217769 [0,1,0,1,0,0|1,0,1]=4 18605 B13R1.1988 CC(C)CCOC1CCCCCC1 34a_100000210254_100011217769 [0,1,0,1,0,0|1,0,1]=4 18606 B13R1.1988 CC(C)CCOC1CCCCCC1 34a_100000210887_100000210312 [0,1,0,1,0,0|1,0,1]=4 18607 B13R1.1988 CC(C)CCOC1CCCCCC1 7a_100000210887_100000210626 [0,1,0,1,0,0|1,0,1]=4 18608 B13R1.1988 CC(O)CCOC1CCCCCC1 34a_100000210887_100012276601 [0,1,0,1,0,0|1,0,1]=4 18609 B13R1.1988 CC(O)CCOC1CCCCCC1 7a_100000210887_100012276601 [0,1,0,1,0,0|1,0,1]=4 18610 B13R1.1988 C[C@@H](N)CCOC1CCCCCC1 34a_100000706166_100011217769 [0,1,0,1,0,0|1,0,1]=4 18611 B13R1.2294 CCC1CC1C(=O)CCCC(=O)C 1458a_200011661523_100011215641 [0,1,0,1,0,0|1,0,1]=4 18612 B13R1.2294 CCC1CC1C(=O)CCCC(C)C 1458a_200011661523_100011214892 [0,1,0,1,0,0|1,0,0]=3 18613 B13R1.2294 CCC1CC1C(=O)CCCC(C)O 1458a_200011661523_200000718107 [0,1,0,1,0,0|1,0,0]=3 18614 B13R1.2294 CCC1CC1C(=O)CCCN(C)C 1458a_200011661523_100000695564 [0,1,0,1,0,0|2,0,0]=4 18615 B13R1.2294 CCC1CC1C(=O)CCOC(C)C 1458a_200011661523_100000211751 [0,1,0,1,0,0|2,0,0]=4 18616 B13R1.2294 CCC1CC1C(=O)CCSC(C)C 1458a_200011661523_100000730970 [0,1,0,1,0,0|2,0,0]=4 18617 B13R1.2294 CCC1CC1C(=O)NCCC(C)C 11a_100000210545_200011661523 [0,1,0,1,0,0|1,0,0]=3 18618 B13R1.2294 CCC1CC1C(=O)NCCC(C)C 1626a_100000210545_200011661523 [0,1,0,1,0,0|1,0,0]=3 18619 B13R1.2294 CCC1CC1C(=O)NCCC(C)C 240690a_100000210545_200011661523 [0,1,0,1,0,0|1,0,0]=3 18620 B13R1.2294 CCC1CC1C(=O)NCCC(C)C 527a_100000210545_200011661523 [0,1,0,1,0,0|1,0,0]=3 18621 B13R1.2294 CCC1CC1C(=O)NCCC(C)O 240690a_200000755665_200011661523 [0,1,0,1,0,0|1,0,0]=3 18622 B13R1.2294 CCC1CC1C(=O)NCCC(C)O 527a_200000755665_200011661523 [0,1,0,1,0,0|1,0,0]=3 18623 B13R1.2294 CCC1CC1C(=O)NCCN(C)C 240690a_100000210585_200011661523 [0,1,0,1,0,0|2,0,0]=4 18624 B13R1.2294 CCC1CC1C(=O)NCCN(C)C 527a_100000210585_200011661523 [0,1,0,1,0,0|2,0,0]=4 18625 B13R1.2294 CCC1CC1C(=O)NNCC(C)C 22a_100000696102_200011661523 [0,1,0,1,0,0|2,0,0]=4 18626 B13R1.2294 CCC1CC1C(=O)NNCC(C)O 22a_200000730056_200011661523 [0,1,0,1,0,0|2,0,0]=4 18627 B13R1.2769 CCCCCC(=O)CC1CC1(F)F 1458a_100000138109_100000210326 [0,1,0,1,0,0|2,0,0]=4 18628 B13R1.2769 CCCCCC(=O)CC1CC1(F)F 1458a_100000212188_100009817841 [0,1,0,1,0,0|2,0,0]=4 18629 B13R1.2769 CCCCCC(=O)NC1CC1(F)F 1626a_100020610826_100000212188 [0,1,0,1,0,0|2,0,0]=4 18630 B13R1.2769 CCCCCC(=O)NC1CC1(F)F 240690a_100020610826_100000212188 [0,1,0,1,0,0|2,0,0]=4 18631 B13R1.2769 CCCCCC(=O)NC1CC1(F)F 527a_100020610826_100000212188 [0,1,0,1,0,0|2,0,0]=4 18632 B13R1.2769 CCCCNC(=O)CC1CC1(F)F 11a_100000102301_100000138109 [0,1,0,1,0,0|2,0,0]=4 18633 B13R1.2769 CCCCNC(=O)CC1CC1(F)F 1626a_100000102301_100000138109 [0,1,0,1,0,0|2,0,0]=4 18634 B13R1.2769 CCCCNC(=O)CC1CC1(F)F 240690a_100000102301_100000138109 [0,1,0,1,0,0|2,0,0]=4 18635 B13R1.2769 CCCCNC(=O)CC1CC1(F)F 527a_100000102301_100000138109 [0,1,0,1,0,0|2,0,0]=4 18636 B13R1.3071 CCCCOC1CCCC(C1)(C)C 7a_100011995757_100000210211 [0,1,0,1,0,0|1,0,1]=4 18637 B13R1.3699 CC(C)CCCC(=O)N1CCC1C 11a_100000755817_100011216857 [0,1,0,1,0,0|1,0,0]=3 18638 B13R1.3699 CC(C)CCCC(=O)N1CCC1C 240690a_100000755817_100011216857 [0,1,0,1,0,0|1,0,0]=3 18639 B13R1.3699 CC(C)CCCC(=O)N1CCC1C 527a_100000755817_100011216857 [0,1,0,1,0,0|1,0,0]=3 18640 B13R1.3699 CC(C)CCNC(=O)N1CCC1C 2708a_100000210545_100000755817 [0,1,0,1,0,0|2,0,0]=4 18641 B13R1.3699 CC(C)CCNC(=O)N1CCC1C 273464a_100000210545_100000755817 [0,1,0,1,0,0|2,0,0]=4 18642 B13R1.3699 CC(C)COCC(=O)N1CCC1C 11a_100000755817_100011223364 [0,1,0,1,0,0|2,0,0]=4 18643 B13R1.3699 CC(C)COCC(=O)N1CCC1C 240690a_100000755817_100011223364 [0,1,0,1,0,0|2,0,0]=4 18644 B13R1.3699 CC(C)COCC(=O)N1CCC1C 527a_100000755817_100011223364 [0,1,0,1,0,0|2,0,0]=4 18645 B13R1.3699 CC(O)CCCC(=O)N1CCC1C 527a_100000755817_100000761597 [0,1,0,1,0,0|1,0,0]=3 18646 B13R1.3699 CC(O)CCNC(=O)N1CCC1C 273464a_200000755665_100000755817 [0,1,0,1,0,0|2,0,0]=4 18647 B13R1.3699 CC1CCN1C(=O)CCCN(C)C 11a_100000755817_100000740757 [0,1,0,1,0,0|2,0,0]=4 18648 B13R1.3699 CC1CCN1C(=O)CCCN(C)C 240690a_100000755817_100000740757 [0,1,0,1,0,0|2,0,0]=4 18649 B13R1.3731 CC(C)CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011216857 [0,1,0,1,0,0|2,0,0]=4 18650 B13R1.3731 CC(C)CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100011216857 [0,1,0,1,0,0|2,0,0]=4 18651 B13R1.3731 CC(C)CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100011216857 [0,1,0,1,0,0|2,0,0]=4 18652 B13R1.3731 CC(C)CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100011216857 [0,1,0,1,0,0|2,0,0]=4 18653 B13R1.3731 CC(C)CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011216857 [0,1,0,1,0,0|2,0,0]=4 18654 B13R1.3731 CC(C)CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100011216857 [0,1,0,1,0,0|2,0,0]=4 18655 B13R1.3731 CC(O)CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000761597 [0,1,0,1,0,0|2,0,0]=4 18656 B13R1.3731 CC(O)CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000761597 [0,1,0,1,0,0|2,0,0]=4 18657 B13R1.3731 CC(O)CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000761597 [0,1,0,1,0,0|2,0,0]=4 18658 B13R1.5134 CC(C)CCOC1(CCCCC1)C 34a_100011215885_100000210312 [0,1,0,1,0,0|1,0,1]=4 18659 B13R1.5134 CC(C)CCOC1(CCCCC1)C 7a_100011215885_100000210626 [0,1,0,1,0,0|1,0,1]=4 18660 B13R1.5134 CC(O)CCOC1(CCCCC1)C 34a_100011215885_100012276601 [0,1,0,1,0,0|1,0,1]=4 18661 B13R1.5134 CC(O)CCOC1(CCCCC1)C 7a_100011215885_100012276601 [0,1,0,1,0,0|1,0,1]=4 18662 B13R1.20 CCCC(C)OC1CCCC(C1)C 34a_100000211399_100000766640 [0,1,0,1,0,0|1,0,1]=4 18663 B13R1.33 C=C(CCC)CC(=O)C1CCCC1 1458a_100000138376_100000179811 [0,1,0,1,0,0|1,0,1]=4 18664 B13R1.33 C=C(CCC)CC(=O)N1CCCC1 240690a_100000188435_100000138376 [0,1,0,1,0,0|1,0,1]=4 18665 B13R1.33 C=C(CCC)CC(=O)N1CCCC1 527a_100000188435_100000138376 [0,1,0,1,0,0|1,0,1]=4 18666 B13R1.33 CCCC(=CC(=O)C1CCCC1)C 1458a_100020676950_100000179811 [0,1,0,1,0,0|1,0,1]=4 18667 B13R1.33 CCCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747444 [0,1,0,1,0,0|1,0,1]=4 18668 B13R1.33 CCCC(=O)CC(=O)N1CCCC1 1458a_100000211992_100000183516 [0,1,0,1,0,0|1,0,1]=4 18669 B13R1.33 CCCC(C)CC(=O)C1=CCCC1 1458a_100000038896_100011216630 [0,1,0,1,0,0|1,0,1]=4 18670 B13R1.33 CCCC(C)CC(=O)C1CCCC1 1458a_100000210718_100011216630 [0,1,0,1,0,0|1,0,0]=3 18671 B13R1.33 CCCC(C)CC(=O)C1CCCC1 1458a_100000748435_100000179811 [0,1,0,1,0,0|1,0,0]=3 18672 B13R1.33 CCCC(C)CC(=O)C1CCCS1 1458a_100012002731_100011216630 [0,1,0,1,0,0|2,0,0]=4 18673 B13R1.33 CCCC(C)CC(=O)C1CCOC1 1458a_100000748435_100000690089 [0,1,0,1,0,0|2,0,0]=4 18674 B13R1.33 CCCC(C)CC(=O)C1CCOC1 1458a_100011219752_100011216630 [0,1,0,1,0,0|2,0,0]=4 18675 B13R1.33 CCCC(C)CC(=O)N1CCCC1 240690a_100000188435_100000748435 [0,1,0,1,0,0|1,0,0]=3 18676 B13R1.33 CCCC(C)CC(=O)N1CCCC1 527a_100000188435_100000748435 [0,1,0,1,0,0|1,0,0]=3 18677 B13R1.33 CCCC(C)CC(=O)N1CCSC1 11a_100011215254_100000748435 [0,1,0,1,0,0|2,0,0]=4 18678 B13R1.33 CCCC(C)CC(=O)N1CCSC1 240690a_100011215254_100000748435 [0,1,0,1,0,0|2,0,0]=4 18679 B13R1.33 CCCC(C)CC(=O)N1CCSC1 527a_100011215254_100000748435 [0,1,0,1,0,0|2,0,0]=4 18680 B13R1.33 CCCC(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011216630 [0,1,0,1,0,0|2,0,0]=4 18681 B13R1.33 CCCC(C)NC(=O)C1CCCC1 11a_100000741246_100000210718 [0,1,0,1,0,0|1,0,0]=3 18682 B13R1.33 CCCC(C)NC(=O)C1CCCC1 1626a_100000741246_100000210718 [0,1,0,1,0,0|1,0,0]=3 18683 B13R1.33 CCCC(C)NC(=O)C1CCCC1 240690a_100000741246_100000210718 [0,1,0,1,0,0|1,0,0]=3 18684 B13R1.33 CCCC(C)NC(=O)C1CCCC1 527a_100000741246_100000210718 [0,1,0,1,0,0|1,0,0]=3 18685 B13R1.33 CCCC(C)NC(=O)C1CCCS1 11a_100000741246_100012002731 [0,1,0,1,0,0|2,0,0]=4 18686 B13R1.33 CCCC(C)NC(=O)C1CCCS1 1626a_100000741246_100012002731 [0,1,0,1,0,0|2,0,0]=4 18687 B13R1.33 CCCC(C)NC(=O)C1CCCS1 240690a_100000741246_100012002731 [0,1,0,1,0,0|2,0,0]=4 18688 B13R1.33 CCCC(C)NC(=O)C1CCCS1 527a_100000741246_100012002731 [0,1,0,1,0,0|2,0,0]=4 18689 B13R1.33 CCCC(C)NC(=O)C1CCOC1 11a_100000741246_100011219752 [0,1,0,1,0,0|2,0,0]=4 18690 B13R1.33 CCCC(C)NC(=O)C1CCOC1 1626a_100000741246_100011219752 [0,1,0,1,0,0|2,0,0]=4 18691 B13R1.33 CCCC(C)NC(=O)C1CCOC1 240690a_100000741246_100011219752 [0,1,0,1,0,0|2,0,0]=4 18692 B13R1.33 CCCC(C)NC(=O)C1CCOC1 527a_100000741246_100011219752 [0,1,0,1,0,0|2,0,0]=4 18693 B13R1.33 CCCC(C)NC(=O)N1CCCC1 2708a_100000741246_100000188435 [0,1,0,1,0,0|2,0,0]=4 18694 B13R1.33 CCCC(C)NC(=O)N1CCCC1 273464a_100000741246_100000188435 [0,1,0,1,0,0|2,0,0]=4 18695 B13R1.33 CCCC(C)NC(=O)[C@@H]1CCCO1 11a_100000741246_100000686382 [0,1,0,1,0,0|2,0,0]=4 18696 B13R1.33 CCCC(C)NC(=O)[C@@H]1CCCO1 1626a_100000741246_100000686382 [0,1,0,1,0,0|2,0,0]=4 18697 B13R1.33 CCCC(C)NC(=O)[C@@H]1CCCO1 240690a_100000741246_100000686382 [0,1,0,1,0,0|2,0,0]=4 18698 B13R1.33 CCCC(C)NC(=O)[C@@H]1CCCO1 527a_100000741246_100000686382 [0,1,0,1,0,0|2,0,0]=4 18699 B13R1.33 CCCC(C)OC(C)C1CCCC1 34a_100011216366_100000766640 [0,1,0,1,0,0|1,0,1]=4 18700 B13R1.33 CCCC(C)OC(C)C1CCCC1 7a_100011216366_100000766640 [0,1,0,1,0,0|1,0,1]=4 18701 B13R1.33 CCCN(C)CC(=O)N1CCCC1 2230a_100000747261_100000183516 [0,1,0,1,0,0|2,0,0]=4 18702 B13R1.33 CCCN(C)CC(=O)N1CCCC1 2230a_100025772637_100000210303 [0,1,0,1,0,0|2,0,0]=4 18703 B13R1.33 CCCN(C)CC(=O)N1CCCC1 269982a_100000747261_100000183516 [0,1,0,1,0,0|2,0,0]=4 18704 B13R1.33 CCCN(C)CC(=O)N1CCCC1 269982a_100025772637_100000210303 [0,1,0,1,0,0|2,0,0]=4 18705 B13R1.33 CCCS(=O)CC(=O)C1CCCC1 1458a_100011387404_100000179811 [0,1,0,1,0,0|2,0,0]=4 18706 B13R1.33 CCCS(=O)CC(=O)N1CCCC1 240690a_100000188435_100011387404 [0,1,0,1,0,0|2,0,0]=4 18707 B13R1.33 CCCS(=O)CC(=O)N1CCCC1 527a_100000188435_100011387404 [0,1,0,1,0,0|2,0,0]=4 18708 B13R1.33 CCSC(C)CC(=O)C1CCCC1 1458a_200011311441_100000179811 [0,1,0,1,0,0|2,0,0]=4 18709 B13R1.33 CCSC(C)CC(=O)N1CCCC1 240690a_100000188435_200011311441 [0,1,0,1,0,0|2,0,0]=4 18710 B13R1.33 CCSC(C)CC(=O)N1CCCC1 527a_100000188435_200011311441 [0,1,0,1,0,0|2,0,0]=4 18711 B13R1.33 COC[C@@H](C)NC(=O)C1CCCC1 11a_100000764878_100000210718 [0,1,0,1,0,0|2,0,0]=4 18712 B13R1.33 COC[C@@H](C)NC(=O)C1CCCC1 1626a_100000764878_100000210718 [0,1,0,1,0,0|2,0,0]=4 18713 B13R1.33 COC[C@@H](C)NC(=O)C1CCCC1 240690a_100000764878_100000210718 [0,1,0,1,0,0|2,0,0]=4 18714 B13R1.33 COC[C@@H](C)NC(=O)C1CCCC1 527a_100000764878_100000210718 [0,1,0,1,0,0|2,0,0]=4 18715 B13R1.33 C[C@H](CCO)NC(=O)C1CCCC1 240690a_100000706166_100000210718 [0,1,0,1,0,0|2,0,0]=4 18716 B13R1.33 C[C@H](CCO)NC(=O)C1CCCC1 527a_100000706166_100000210718 [0,1,0,1,0,0|2,0,0]=4 18717 B13R1.463 CCCC(=O)C1CCCCCC1=O 1458a_100000211992_100000243696 [0,1,0,1,0,0|1,0,1]=4 18718 B13R1.463 CCCC(=O)C1CCCCNC1=O 1458a_100000211992_100000735217 [0,1,0,1,0,0|1,0,1]=4 18719 B13R1.463 CCCN(C)C1CCCCCC1=O 269982a_100000747261_100000243696 [0,1,0,1,0,0|2,0,0]=4 18720 B13R1.463 CCCN(C)C1CCCCNC1=O 2230a_100000747261_100000735217 [0,1,0,1,0,0|2,0,0]=4 18721 B13R1.463 CCCN(C)C1CCCCNC1=O 269982a_100000747261_100000735217 [0,1,0,1,0,0|2,0,0]=4 18722 B13R1.1575 CCCC(C)OC1CCCCCC1 34a_100000210887_100000766640 [0,1,0,1,0,0|1,0,1]=4 18723 B13R1.1575 CCCC(C)OC1CCCCCC1 34a_100000764384_100011217769 [0,1,0,1,0,0|1,0,1]=4 18724 B13R1.1575 CCCC(C)OC1CCCCCC1 7a_100000210887_100000766640 [0,1,0,1,0,0|1,0,1]=4 18725 B13R1.2570 CCCC(C)OC1(CCCCC1)C 34a_100011215885_100000766640 [0,1,0,1,0,0|1,0,1]=4 18726 B13R1.2570 CCCC(C)OC1(CCCCC1)C 7a_100011215885_100000766640 [0,1,0,1,0,0|1,0,1]=4 18727 B13R1.2770 CC1(CCC1)CC(=O)CCCCO 1458a_100000695505_100000726658 [0,1,0,1,0,0|2,0,0]=4 18728 B13R1.2770 CC1(CCC1)NC(=O)CCCCO 1626a_100000692455_100000695505 [0,1,0,1,0,0|2,0,0]=4 18729 B13R1.2770 CCCC#CC(=O)CC1(CCC1)C 1458a_200011218047_100000726658 [0,1,0,1,0,0|1,0,1]=4 18730 B13R1.2770 CCCC=CC(=O)CC1(CCC1)C 1458a_100000212230_100000726658 [0,1,0,1,0,0|1,0,1]=4 18731 B13R1.2770 CCCCCC(=O)CC1(CCC1)C 1458a_100000212188_100000726658 [0,1,0,1,0,0|1,0,0]=3 18732 B13R1.2770 CCCCCC(=O)CC1(COC1)C 1458a_100000212188_100000066812 [0,1,0,1,0,0|2,0,0]=4 18733 B13R1.2770 CCCCCC(=O)NC1(CCC1)C 11a_100000692455_100000212188 [0,1,0,1,0,0|1,0,0]=3 18734 B13R1.2770 CCCCCC(=O)NC1(CCC1)C 1626a_100000692455_100000212188 [0,1,0,1,0,0|1,0,0]=3 18735 B13R1.2770 CCCCCC(=O)NC1(CCC1)C 240690a_100000692455_100000212188 [0,1,0,1,0,0|1,0,0]=3 18736 B13R1.2770 CCCCCC(=O)NC1(CCC1)C 527a_100000692455_100000212188 [0,1,0,1,0,0|1,0,0]=3 18737 B13R1.2770 CCCCCC(=O)NC1(COC1)C 11a_100000732644_100000212188 [0,1,0,1,0,0|2,0,0]=4 18738 B13R1.2770 CCCCCC(=O)NC1(COC1)C 1626a_100000732644_100000212188 [0,1,0,1,0,0|2,0,0]=4 18739 B13R1.2770 CCCCCC(=O)NC1(COC1)C 527a_100000732644_100000212188 [0,1,0,1,0,0|2,0,0]=4 18740 B13R1.2770 CCCCCC(C)OC1(CCC1)C 34a_100000759064_200011218191 [0,1,0,1,0,0|1,0,1]=4 18741 B13R1.2770 CCCCCC(C)OC1(CCC1)C 7a_100000759064_200011218191 [0,1,0,1,0,0|1,0,1]=4 18742 B13R1.2770 CCCCNC(=O)NC1(CCC1)C 2708a_100000102301_100000692455 [0,1,0,1,0,0|2,0,0]=4 18743 B13R1.2770 CCCCNC(=O)NC1(CCC1)C 273464a_100000102301_100000692455 [0,1,0,1,0,0|2,0,0]=4 18744 B13R1.2770 CCCCNC(=O)NC1(CCC1)C 273464a_100000692455_100000102301 [0,1,0,1,0,0|2,0,0]=4 18745 B13R1.2770 CCCCNC(=O)NC1(CCC1)C 512a_100000102301_100000692455 [0,1,0,1,0,0|2,0,0]=4 18746 B13R1.2770 CCCCNC(=O)NC1(CCC1)C 512a_100000692455_100000102301 [0,1,0,1,0,0|2,0,0]=4 18747 B13R1.2770 CCCOCC(=O)CC1(CCC1)C 1458a_100000745993_100000726658 [0,1,0,1,0,0|2,0,0]=4 18748 B13R1.2770 CCCOCC(=O)NC1(CCC1)C 11a_100000692455_100000745993 [0,1,0,1,0,0|2,0,0]=4 18749 B13R1.2770 CCCOCC(=O)NC1(CCC1)C 1626a_100000692455_100000745993 [0,1,0,1,0,0|2,0,0]=4 18750 B13R1.2770 CCCOCC(=O)NC1(CCC1)C 240690a_100000692455_100000745993 [0,1,0,1,0,0|2,0,0]=4 18751 B13R1.2770 CCCOCC(=O)NC1(CCC1)C 527a_100000692455_100000745993 [0,1,0,1,0,0|2,0,0]=4 18752 B13R1.2770 CCCSCC(=O)CC1(CCC1)C 1458a_100000217233_100000726658 [0,1,0,1,0,0|2,0,0]=4 18753 B13R1.2770 CCCSCC(=O)NC1(CCC1)C 11a_100000692455_100000217233 [0,1,0,1,0,0|2,0,0]=4 18754 B13R1.2770 CCCSCC(=O)NC1(CCC1)C 1626a_100000692455_100000217233 [0,1,0,1,0,0|2,0,0]=4 18755 B13R1.2770 CCCSCC(=O)NC1(CCC1)C 240690a_100000692455_100000217233 [0,1,0,1,0,0|2,0,0]=4 18756 B13R1.2770 CCCSCC(=O)NC1(CCC1)C 527a_100000692455_100000217233 [0,1,0,1,0,0|2,0,0]=4 18757 B13R1.2770 CCOCCC(=O)CC1(CCC1)C 1458a_100000749530_100000726658 [0,1,0,1,0,0|2,0,0]=4 18758 B13R1.2770 CCOCCC(=O)NC1(CCC1)C 11a_100000692455_100000749530 [0,1,0,1,0,0|2,0,0]=4 18759 B13R1.2770 CCOCCC(=O)NC1(CCC1)C 1626a_100000692455_100000749530 [0,1,0,1,0,0|2,0,0]=4 18760 B13R1.2770 CCOCCC(=O)NC1(CCC1)C 240690a_100000692455_100000749530 [0,1,0,1,0,0|2,0,0]=4 18761 B13R1.2770 CCOCCC(=O)NC1(CCC1)C 527a_100000692455_100000749530 [0,1,0,1,0,0|2,0,0]=4 18762 B13R1.2770 CCSCCC(=O)CC1(CCC1)C 1458a_100000230768_100000726658 [0,1,0,1,0,0|2,0,0]=4 18763 B13R1.2770 CCSCCC(=O)NC1(CCC1)C 11a_100000692455_100000230768 [0,1,0,1,0,0|2,0,0]=4 18764 B13R1.2770 CCSCCC(=O)NC1(CCC1)C 1626a_100000692455_100000230768 [0,1,0,1,0,0|2,0,0]=4 18765 B13R1.2770 CCSCCC(=O)NC1(CCC1)C 240690a_100000692455_100000230768 [0,1,0,1,0,0|2,0,0]=4 18766 B13R1.2770 CCSCCC(=O)NC1(CCC1)C 527a_100000692455_100000230768 [0,1,0,1,0,0|2,0,0]=4 18767 B13R1.2770 COCCCC(=O)CC1(CCC1)C 1458a_100000741012_100000726658 [0,1,0,1,0,0|2,0,0]=4 18768 B13R1.2770 COCCCC(=O)NC1(CCC1)C 11a_100000692455_100000741012 [0,1,0,1,0,0|2,0,0]=4 18769 B13R1.2770 COCCCC(=O)NC1(CCC1)C 1626a_100000692455_100000741012 [0,1,0,1,0,0|2,0,0]=4 18770 B13R1.2770 COCCCC(=O)NC1(CCC1)C 240690a_100000692455_100000741012 [0,1,0,1,0,0|2,0,0]=4 18771 B13R1.2770 COCCCC(=O)NC1(CCC1)C 527a_100000692455_100000741012 [0,1,0,1,0,0|2,0,0]=4 18772 B13R1.2770 CSCCCC(=O)CC1(CCC1)C 1458a_100000173376_100000726658 [0,1,0,1,0,0|2,0,0]=4 18773 B13R1.2770 CSCCCC(=O)NC1(CCC1)C 11a_100000692455_100000173376 [0,1,0,1,0,0|2,0,0]=4 18774 B13R1.2770 CSCCCC(=O)NC1(CCC1)C 1626a_100000692455_100000173376 [0,1,0,1,0,0|2,0,0]=4 18775 B13R1.2770 CSCCCC(=O)NC1(CCC1)C 240690a_100000692455_100000173376 [0,1,0,1,0,0|2,0,0]=4 18776 B13R1.2770 CSCCCC(=O)NC1(CCC1)C 527a_100000692455_100000173376 [0,1,0,1,0,0|2,0,0]=4 18777 B13R1.2844 CCC1CC1C(=O)N[C@H](C)CCO 240690a_100000706166_200011661523 [0,1,0,1,0,0|2,0,0]=4 18778 B13R1.2844 CCC1CC1C(=O)N[C@H](C)CCO 527a_100000706166_200011661523 [0,1,0,1,0,0|2,0,0]=4 18779 B13R1.2844 CCC1CC1C(=O)N[C@H](C)COC 11a_100000764878_200011661523 [0,1,0,1,0,0|2,0,0]=4 18780 B13R1.2844 CCC1CC1C(=O)N[C@H](C)COC 1626a_100000764878_200011661523 [0,1,0,1,0,0|2,0,0]=4 18781 B13R1.2844 CCC1CC1C(=O)N[C@H](C)COC 240690a_100000764878_200011661523 [0,1,0,1,0,0|2,0,0]=4 18782 B13R1.2844 CCC1CC1C(=O)N[C@H](C)COC 527a_100000764878_200011661523 [0,1,0,1,0,0|2,0,0]=4 18783 B13R1.2844 CCCC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000747444 [0,1,0,1,0,0|1,0,1]=4 18784 B13R1.2844 CCCC(C)CC(=O)C1CC1CC 1458a_200011661523_100011216630 [0,1,0,1,0,0|1,0,0]=3 18785 B13R1.2844 CCCC(C)NC(=O)C1CC1CC 11a_100000741246_200011661523 [0,1,0,1,0,0|1,0,0]=3 18786 B13R1.2844 CCCC(C)NC(=O)C1CC1CC 1626a_100000741246_200011661523 [0,1,0,1,0,0|1,0,0]=3 18787 B13R1.2844 CCCC(C)NC(=O)C1CC1CC 240690a_100000741246_200011661523 [0,1,0,1,0,0|1,0,0]=3 18788 B13R1.2844 CCCC(C)NC(=O)C1CC1CC 527a_100000741246_200011661523 [0,1,0,1,0,0|1,0,0]=3 18789 B13R1.2845 CCCC(C)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000748435 [0,1,0,1,0,0|2,0,0]=4 18790 B13R1.2845 CCCC(C)CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000748435 [0,1,0,1,0,0|2,0,0]=4 18791 B13R1.2845 CCCC(C)CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000748435 [0,1,0,1,0,0|2,0,0]=4 18792 B13R1.2845 CCCC(C)CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000748435 [0,1,0,1,0,0|2,0,0]=4 18793 B13R1.2845 CCCC(C)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000748435 [0,1,0,1,0,0|2,0,0]=4 18794 B13R1.2845 CCCC(C)CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000748435 [0,1,0,1,0,0|2,0,0]=4 18795 B13R1.2846 C=C(CCC)CC(=O)CC1CCC1 1458a_100000138376_100000763275 [0,1,0,1,0,0|1,0,1]=4 18796 B13R1.2846 C=C(CCC)CC(=O)NC1CCC1 11a_100000749019_100000138376 [0,1,0,1,0,0|1,0,1]=4 18797 B13R1.2846 C=C(CCC)CC(=O)NC1CCC1 240690a_100000749019_100000138376 [0,1,0,1,0,0|1,0,1]=4 18798 B13R1.2846 C=C(CCC)CC(=O)NC1CCC1 527a_100000749019_100000138376 [0,1,0,1,0,0|1,0,1]=4 18799 B13R1.2846 CCCC(=CC(=O)CC1CCC1)C 1458a_100020676950_100000763275 [0,1,0,1,0,0|1,0,1]=4 18800 B13R1.2846 CCCC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747444 [0,1,0,1,0,0|1,0,1]=4 18801 B13R1.2846 CCCC(C)CC(=O)C=C1CCC1 1458a_100000686340_100011216630 [0,1,0,1,0,0|1,0,1]=4 18802 B13R1.2846 CCCC(C)CC(=O)CC1CCC1 1458a_100000748435_100000763275 [0,1,0,1,0,0|1,0,0]=3 18803 B13R1.2846 CCCC(C)CC(=O)CC1CCC1 1458a_100000763092_100011216630 [0,1,0,1,0,0|1,0,0]=3 18804 B13R1.2846 CCCC(C)CC(=O)CC1CCO1 1458a_100000748435_100000103362 [0,1,0,1,0,0|2,0,0]=4 18805 B13R1.2846 CCCC(C)CC(=O)CC1COC1 1458a_100000687760_100011216630 [0,1,0,1,0,0|2,0,0]=4 18806 B13R1.2846 CCCC(C)CC(=O)CC1COC1 1458a_100000748435_100010264016 [0,1,0,1,0,0|2,0,0]=4 18807 B13R1.2846 CCCC(C)CC(=O)NC1CCC1 11a_100000749019_100000748435 [0,1,0,1,0,0|1,0,0]=3 18808 B13R1.2846 CCCC(C)CC(=O)NC1CCC1 1626a_100000749019_100000748435 [0,1,0,1,0,0|1,0,0]=3 18809 B13R1.2846 CCCC(C)CC(=O)NC1CCC1 240690a_100000749019_100000748435 [0,1,0,1,0,0|1,0,0]=3 18810 B13R1.2846 CCCC(C)CC(=O)NC1CCC1 527a_100000749019_100000748435 [0,1,0,1,0,0|1,0,0]=3 18811 B13R1.2846 CCCC(C)CC(=O)NC1COC1 11a_100016991112_100000748435 [0,1,0,1,0,0|2,0,0]=4 18812 B13R1.2846 CCCC(C)CC(=O)NC1COC1 1626a_100016991112_100000748435 [0,1,0,1,0,0|2,0,0]=4 18813 B13R1.2846 CCCC(C)CC(=O)NC1COC1 240690a_100016991112_100000748435 [0,1,0,1,0,0|2,0,0]=4 18814 B13R1.2846 CCCC(C)CC(=O)NC1COC1 527a_100016991112_100000748435 [0,1,0,1,0,0|2,0,0]=4 18815 B13R1.2846 CCCC(C)CC(=O)NC1CSC1 11a_100016994217_100000748435 [0,1,0,1,0,0|2,0,0]=4 18816 B13R1.2846 CCCC(C)CC(=O)NC1CSC1 1626a_100016994217_100000748435 [0,1,0,1,0,0|2,0,0]=4 18817 B13R1.2846 CCCC(C)CC(=O)NC1CSC1 240690a_100016994217_100000748435 [0,1,0,1,0,0|2,0,0]=4 18818 B13R1.2846 CCCC(C)CC(=O)NC1CSC1 527a_100016994217_100000748435 [0,1,0,1,0,0|2,0,0]=4 18819 B13R1.2846 CCCC(C)NC(=O)CC1CCC1 11a_100000741246_100000763092 [0,1,0,1,0,0|1,0,0]=3 18820 B13R1.2846 CCCC(C)NC(=O)CC1CCC1 1626a_100000741246_100000763092 [0,1,0,1,0,0|1,0,0]=3 18821 B13R1.2846 CCCC(C)NC(=O)CC1CCC1 240690a_100000741246_100000763092 [0,1,0,1,0,0|1,0,0]=3 18822 B13R1.2846 CCCC(C)NC(=O)CC1CCC1 527a_100000741246_100000763092 [0,1,0,1,0,0|1,0,0]=3 18823 B13R1.2846 CCCC(C)NC(=O)CC1COC1 11a_100000741246_100000687760 [0,1,0,1,0,0|2,0,0]=4 18824 B13R1.2846 CCCC(C)NC(=O)CC1COC1 1626a_100000741246_100000687760 [0,1,0,1,0,0|2,0,0]=4 18825 B13R1.2846 CCCC(C)NC(=O)NC1CCC1 2708a_100000741246_100000749019 [0,1,0,1,0,0|2,0,0]=4 18826 B13R1.2846 CCCC(C)NC(=O)NC1CCC1 273464a_100000741246_100000749019 [0,1,0,1,0,0|2,0,0]=4 18827 B13R1.2846 CCCC(C)NC(=O)NC1CCC1 512a_100000741246_100000749019 [0,1,0,1,0,0|2,0,0]=4 18828 B13R1.2846 CCCC(C)NC(=O)NC1CCC1 512a_100000749019_100000741246 [0,1,0,1,0,0|2,0,0]=4 18829 B13R1.2846 CCCS(=O)CC(=O)CC1CCC1 1458a_100011387404_100000763275 [0,1,0,1,0,0|2,0,0]=4 18830 B13R1.2846 CCCS(=O)CC(=O)NC1CCC1 11a_100000749019_100011387404 [0,1,0,1,0,0|2,0,0]=4 18831 B13R1.2846 CCCS(=O)CC(=O)NC1CCC1 1626a_100000749019_100011387404 [0,1,0,1,0,0|2,0,0]=4 18832 B13R1.2846 CCCS(=O)CC(=O)NC1CCC1 240690a_100000749019_100011387404 [0,1,0,1,0,0|2,0,0]=4 18833 B13R1.2846 CCCS(=O)CC(=O)NC1CCC1 527a_100000749019_100011387404 [0,1,0,1,0,0|2,0,0]=4 18834 B13R1.2846 CCSC(C)CC(=O)CC1CCC1 1458a_200011311441_100000763275 [0,1,0,1,0,0|2,0,0]=4 18835 B13R1.2846 CCSC(C)CC(=O)NC1CCC1 11a_100000749019_200011311441 [0,1,0,1,0,0|2,0,0]=4 18836 B13R1.2846 CCSC(C)CC(=O)NC1CCC1 1626a_100000749019_200011311441 [0,1,0,1,0,0|2,0,0]=4 18837 B13R1.2846 CCSC(C)CC(=O)NC1CCC1 240690a_100000749019_200011311441 [0,1,0,1,0,0|2,0,0]=4 18838 B13R1.2846 CCSC(C)CC(=O)NC1CCC1 527a_100000749019_200011311441 [0,1,0,1,0,0|2,0,0]=4 18839 B13R1.2846 COC[C@@H](C)NC(=O)CC1CCC1 11a_100000764878_100000763092 [0,1,0,1,0,0|2,0,0]=4 18840 B13R1.2846 COC[C@@H](C)NC(=O)CC1CCC1 1626a_100000764878_100000763092 [0,1,0,1,0,0|2,0,0]=4 18841 B13R1.2846 COC[C@@H](C)NC(=O)CC1CCC1 240690a_100000764878_100000763092 [0,1,0,1,0,0|2,0,0]=4 18842 B13R1.2846 COC[C@@H](C)NC(=O)CC1CCC1 527a_100000764878_100000763092 [0,1,0,1,0,0|2,0,0]=4 18843 B13R1.2846 C[C@H](CCO)NC(=O)CC1CCC1 240690a_100000706166_100000763092 [0,1,0,1,0,0|2,0,0]=4 18844 B13R1.2846 C[C@H](CCO)NC(=O)CC1CCC1 527a_100000706166_100000763092 [0,1,0,1,0,0|2,0,0]=4 18845 B13R1.2847 C=C(CCC)CC(=O)CCC1CC1 1458a_100000138376_100000694398 [0,1,0,1,0,0|1,0,1]=4 18846 B13R1.2847 C=C(CCC)CC(=O)NCC1CC1 11a_100000735609_100000138376 [0,1,0,1,0,0|1,0,1]=4 18847 B13R1.2847 C=C(CCC)CC(=O)NCC1CC1 240690a_100000735609_100000138376 [0,1,0,1,0,0|1,0,1]=4 18848 B13R1.2847 C=C(CCC)CC(=O)NCC1CC1 527a_100000735609_100000138376 [0,1,0,1,0,0|1,0,1]=4 18849 B13R1.2847 CCCC(=CC(=O)CCC1CC1)C 1458a_100020676950_100000694398 [0,1,0,1,0,0|1,0,1]=4 18850 B13R1.2847 CCCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747444 [0,1,0,1,0,0|1,0,1]=4 18851 B13R1.2847 CCCC(C)CC(=O)C=CC1CC1 1458a_100102529529_100011216630 [0,1,0,1,0,0|1,0,1]=4 18852 B13R1.2847 CCCC(C)CC(=O)CCC1CC1 1458a_100000748435_100000694398 [0,1,0,1,0,0|1,0,0]=3 18853 B13R1.2847 CCCC(C)CC(=O)CCC1CC1 1458a_100000756386_100011216630 [0,1,0,1,0,0|1,0,0]=3 18854 B13R1.2847 CCCC(C)CC(=O)CCC1CO1 1458a_100000748435_100000732470 [0,1,0,1,0,0|2,0,0]=4 18855 B13R1.2847 CCCC(C)CC(=O)NCC1CC1 11a_100000735609_100000748435 [0,1,0,1,0,0|1,0,0]=3 18856 B13R1.2847 CCCC(C)CC(=O)NCC1CC1 1626a_100000735609_100000748435 [0,1,0,1,0,0|1,0,0]=3 18857 B13R1.2847 CCCC(C)CC(=O)NCC1CC1 240690a_100000735609_100000748435 [0,1,0,1,0,0|1,0,0]=3 18858 B13R1.2847 CCCC(C)CC(=O)NCC1CC1 527a_100000735609_100000748435 [0,1,0,1,0,0|1,0,0]=3 18859 B13R1.2847 CCCC(C)CC(=O)NNC1CC1 22a_100000701032_100000748435 [0,1,0,1,0,0|2,0,0]=4 18860 B13R1.2847 CCCC(C)NC(=O)CCC1CC1 11a_100000741246_100000756386 [0,1,0,1,0,0|1,0,0]=3 18861 B13R1.2847 CCCC(C)NC(=O)CCC1CC1 1626a_100000741246_100000756386 [0,1,0,1,0,0|1,0,0]=3 18862 B13R1.2847 CCCC(C)NC(=O)CCC1CC1 240690a_100000741246_100000756386 [0,1,0,1,0,0|1,0,0]=3 18863 B13R1.2847 CCCC(C)NC(=O)CCC1CC1 527a_100000741246_100000756386 [0,1,0,1,0,0|1,0,0]=3 18864 B13R1.2847 CCCC(C)NC(=O)NCC1CC1 2708a_100000735609_100000741246 [0,1,0,1,0,0|2,0,0]=4 18865 B13R1.2847 CCCC(C)NC(=O)NCC1CC1 2708a_100000741246_100000735609 [0,1,0,1,0,0|2,0,0]=4 18866 B13R1.2847 CCCC(C)NC(=O)NCC1CC1 273464a_100000741246_100000735609 [0,1,0,1,0,0|2,0,0]=4 18867 B13R1.2847 CCCC(C)NC(=O)NCC1CC1 512a_100000735609_100000741246 [0,1,0,1,0,0|2,0,0]=4 18868 B13R1.2847 CCCC(C)NC(=O)NCC1CC1 512a_100000741246_100000735609 [0,1,0,1,0,0|2,0,0]=4 18869 B13R1.2847 CCCS(=O)CC(=O)CCC1CC1 1458a_100011387404_100000694398 [0,1,0,1,0,0|2,0,0]=4 18870 B13R1.2847 CCCS(=O)CC(=O)NCC1CC1 11a_100000735609_100011387404 [0,1,0,1,0,0|2,0,0]=4 18871 B13R1.2847 CCCS(=O)CC(=O)NCC1CC1 1626a_100000735609_100011387404 [0,1,0,1,0,0|2,0,0]=4 18872 B13R1.2847 CCCS(=O)CC(=O)NCC1CC1 240690a_100000735609_100011387404 [0,1,0,1,0,0|2,0,0]=4 18873 B13R1.2847 CCCS(=O)CC(=O)NCC1CC1 527a_100000735609_100011387404 [0,1,0,1,0,0|2,0,0]=4 18874 B13R1.2847 CCSC(C)CC(=O)CCC1CC1 1458a_200011311441_100000694398 [0,1,0,1,0,0|2,0,0]=4 18875 B13R1.2847 CCSC(C)CC(=O)NCC1CC1 11a_100000735609_200011311441 [0,1,0,1,0,0|2,0,0]=4 18876 B13R1.2847 CCSC(C)CC(=O)NCC1CC1 1626a_100000735609_200011311441 [0,1,0,1,0,0|2,0,0]=4 18877 B13R1.2847 CCSC(C)CC(=O)NCC1CC1 240690a_100000735609_200011311441 [0,1,0,1,0,0|2,0,0]=4 18878 B13R1.2847 CCSC(C)CC(=O)NCC1CC1 527a_100000735609_200011311441 [0,1,0,1,0,0|2,0,0]=4 18879 B13R1.2847 COC[C@@H](C)NC(=O)CCC1CC1 11a_100000764878_100000756386 [0,1,0,1,0,0|2,0,0]=4 18880 B13R1.2847 COC[C@@H](C)NC(=O)CCC1CC1 1626a_100000764878_100000756386 [0,1,0,1,0,0|2,0,0]=4 18881 B13R1.2847 COC[C@@H](C)NC(=O)CCC1CC1 240690a_100000764878_100000756386 [0,1,0,1,0,0|2,0,0]=4 18882 B13R1.2847 COC[C@@H](C)NC(=O)CCC1CC1 527a_100000764878_100000756386 [0,1,0,1,0,0|2,0,0]=4 18883 B13R1.2847 C[C@H](CCO)NC(=O)CCC1CC1 240690a_100000706166_100000756386 [0,1,0,1,0,0|2,0,0]=4 18884 B13R1.2847 C[C@H](CCO)NC(=O)CCC1CC1 527a_100000706166_100000756386 [0,1,0,1,0,0|2,0,0]=4 18885 B13R1.2848 C=C(CCC)CC(=O)N1CCC1C 11a_100000755817_100000138376 [0,1,0,1,0,0|1,0,1]=4 18886 B13R1.2848 C=C(CCC)CC(=O)N1CCC1C 240690a_100000755817_100000138376 [0,1,0,1,0,0|1,0,1]=4 18887 B13R1.2848 C=C(CCC)CC(=O)N1CCC1C 527a_100000755817_100000138376 [0,1,0,1,0,0|1,0,1]=4 18888 B13R1.2848 CCCC(C)CC(=O)N1CCC1C 11a_100000755817_100000748435 [0,1,0,1,0,0|1,0,0]=3 18889 B13R1.2848 CCCC(C)CC(=O)N1CCC1C 240690a_100000755817_100000748435 [0,1,0,1,0,0|1,0,0]=3 18890 B13R1.2848 CCCC(C)CC(=O)N1CCC1C 527a_100000755817_100000748435 [0,1,0,1,0,0|1,0,0]=3 18891 B13R1.2848 CCCC(C)NC(=O)N1CCC1C 2708a_100000741246_100000755817 [0,1,0,1,0,0|2,0,0]=4 18892 B13R1.2848 CCCC(C)NC(=O)N1CCC1C 273464a_100000741246_100000755817 [0,1,0,1,0,0|2,0,0]=4 18893 B13R1.2848 CCCS(=O)CC(=O)N1CCC1C 11a_100000755817_100011387404 [0,1,0,1,0,0|2,0,0]=4 18894 B13R1.2848 CCCS(=O)CC(=O)N1CCC1C 240690a_100000755817_100011387404 [0,1,0,1,0,0|2,0,0]=4 18895 B13R1.2848 CCCS(=O)CC(=O)N1CCC1C 527a_100000755817_100011387404 [0,1,0,1,0,0|2,0,0]=4 18896 B13R1.2848 CCSC(C)CC(=O)N1CCC1C 11a_100000755817_200011311441 [0,1,0,1,0,0|2,0,0]=4 18897 B13R1.2848 CCSC(C)CC(=O)N1CCC1C 240690a_100000755817_200011311441 [0,1,0,1,0,0|2,0,0]=4 18898 B13R1.2848 CCSC(C)CC(=O)N1CCC1C 527a_100000755817_200011311441 [0,1,0,1,0,0|2,0,0]=4 18899 B13R1.2969 CC(NC(=O)CCCCO)C1CC1 1626a_100000700016_100000695505 [0,1,0,1,0,0|2,0,0]=4 18900 B13R1.2969 CCCCCC(=O)C=C(C)C1CC1 1458a_100000742917_100000210326 [0,1,0,1,0,0|1,0,1]=4 18901 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 1458a_100000210395_200012276598 [0,1,0,1,0,0|1,0,1]=4 18902 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 1458a_100000212188_100000746382 [0,1,0,1,0,0|1,0,1]=4 18903 B13R1.2969 CCCCCC(=O)CN(C)C1CC1 2230a_100000226674_200012276598 [0,1,0,1,0,0|2,0,0]=4 18904 B13R1.2969 CCCCCC(=O)CN(C)C1CC1 269982a_100000226674_200012276598 [0,1,0,1,0,0|2,0,0]=4 18905 B13R1.2969 CCCCCC(=O)NC(C)C1CC1 11a_100000700016_100000212188 [0,1,0,1,0,0|1,0,0]=3 18906 B13R1.2969 CCCCCC(=O)NC(C)C1CC1 1626a_100000700016_100000212188 [0,1,0,1,0,0|1,0,0]=3 18907 B13R1.2969 CCCCCC(=O)NC(C)C1CC1 240690a_100000700016_100000212188 [0,1,0,1,0,0|1,0,0]=3 18908 B13R1.2969 CCCCCC(=O)NC(C)C1CC1 527a_100000700016_100000212188 [0,1,0,1,0,0|1,0,0]=3 18909 B13R1.2969 CCCCCC(C)OC(C)C1CC1 34a_100000744524_200011218191 [0,1,0,1,0,0|1,0,1]=4 18910 B13R1.2969 CCCCCC(C)OC(C)C1CC1 7a_100000744524_200011218191 [0,1,0,1,0,0|1,0,1]=4 18911 B13R1.2969 CCCCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000182744 [0,1,0,1,0,0|1,0,1]=4 18912 B13R1.2969 CCCCNC(=O)CN(C)C1CC1 2230a_100000226674_100000182744 [0,1,0,1,0,0|2,0,0]=4 18913 B13R1.2969 CCCCNC(=O)CN(C)C1CC1 269982a_100000226674_100000182744 [0,1,0,1,0,0|2,0,0]=4 18914 B13R1.2969 CCCCNC(=O)CN(C)C1CC1 269982a_200000213093_100000211595 [0,1,0,1,0,0|2,0,0]=4 18915 B13R1.2969 CCCCNC(=O)NC(C)C1CC1 2708a_100000102301_100000700016 [0,1,0,1,0,0|2,0,0]=4 18916 B13R1.2969 CCCCNC(=O)NC(C)C1CC1 2708a_100000700016_100000102301 [0,1,0,1,0,0|2,0,0]=4 18917 B13R1.2969 CCCCNC(=O)NC(C)C1CC1 273464a_100000102301_100000700016 [0,1,0,1,0,0|2,0,0]=4 18918 B13R1.2969 CCCCNC(=O)NC(C)C1CC1 273464a_100000700016_100000102301 [0,1,0,1,0,0|2,0,0]=4 18919 B13R1.2969 CCCCNC(=O)NC(C)C1CC1 512a_100000102301_100000700016 [0,1,0,1,0,0|2,0,0]=4 18920 B13R1.2969 CCCCNC(=O)NC(C)C1CC1 512a_100000700016_100000102301 [0,1,0,1,0,0|2,0,0]=4 18921 B13R1.2969 CCCCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000211628 [0,1,0,1,0,0|0,0,1]=3 18922 B13R1.2969 CCCCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000211628 [0,1,0,1,0,0|1,0,1]=4 18923 B13R1.2969 CCCCOC(=O)CN(C)C1CC1 2230a_100000226674_100000211628 [0,1,0,1,0,0|1,0,0]=3 18924 B13R1.2969 CCCCOC(=O)CN(C)C1CC1 269982a_100000226674_100000211628 [0,1,0,1,0,0|1,0,0]=3 18925 B13R1.2969 CCCOCC(=O)NC(C)C1CC1 11a_100000700016_100000745993 [0,1,0,1,0,0|2,0,0]=4 18926 B13R1.2969 CCCOCC(=O)NC(C)C1CC1 1626a_100000700016_100000745993 [0,1,0,1,0,0|2,0,0]=4 18927 B13R1.2969 CCCOCC(=O)NC(C)C1CC1 240690a_100000700016_100000745993 [0,1,0,1,0,0|2,0,0]=4 18928 B13R1.2969 CCCOCC(=O)NC(C)C1CC1 527a_100000700016_100000745993 [0,1,0,1,0,0|2,0,0]=4 18929 B13R1.2969 CCCSCC(=O)NC(C)C1CC1 11a_100000700016_100000217233 [0,1,0,1,0,0|2,0,0]=4 18930 B13R1.2969 CCCSCC(=O)NC(C)C1CC1 1626a_100000700016_100000217233 [0,1,0,1,0,0|2,0,0]=4 18931 B13R1.2969 CCCSCC(=O)NC(C)C1CC1 240690a_100000700016_100000217233 [0,1,0,1,0,0|2,0,0]=4 18932 B13R1.2969 CCCSCC(=O)NC(C)C1CC1 527a_100000700016_100000217233 [0,1,0,1,0,0|2,0,0]=4 18933 B13R1.2969 CCOCCC(=O)NC(C)C1CC1 11a_100000700016_100000749530 [0,1,0,1,0,0|2,0,0]=4 18934 B13R1.2969 CCOCCC(=O)NC(C)C1CC1 1626a_100000700016_100000749530 [0,1,0,1,0,0|2,0,0]=4 18935 B13R1.2969 CCOCCC(=O)NC(C)C1CC1 240690a_100000700016_100000749530 [0,1,0,1,0,0|2,0,0]=4 18936 B13R1.2969 CCOCCC(=O)NC(C)C1CC1 527a_100000700016_100000749530 [0,1,0,1,0,0|2,0,0]=4 18937 B13R1.2969 CCSCCC(=O)NC(C)C1CC1 11a_100000700016_100000230768 [0,1,0,1,0,0|2,0,0]=4 18938 B13R1.2969 CCSCCC(=O)NC(C)C1CC1 1626a_100000700016_100000230768 [0,1,0,1,0,0|2,0,0]=4 18939 B13R1.2969 CCSCCC(=O)NC(C)C1CC1 240690a_100000700016_100000230768 [0,1,0,1,0,0|2,0,0]=4 18940 B13R1.2969 CCSCCC(=O)NC(C)C1CC1 527a_100000700016_100000230768 [0,1,0,1,0,0|2,0,0]=4 18941 B13R1.2969 COCCCC(=O)NC(C)C1CC1 11a_100000700016_100000741012 [0,1,0,1,0,0|2,0,0]=4 18942 B13R1.2969 COCCCC(=O)NC(C)C1CC1 1626a_100000700016_100000741012 [0,1,0,1,0,0|2,0,0]=4 18943 B13R1.2969 COCCCC(=O)NC(C)C1CC1 240690a_100000700016_100000741012 [0,1,0,1,0,0|2,0,0]=4 18944 B13R1.2969 COCCCC(=O)NC(C)C1CC1 527a_100000700016_100000741012 [0,1,0,1,0,0|2,0,0]=4 18945 B13R1.2969 COCCOC(=O)CC(=O)C1CC1 1458a_100000210395_200000040189 [0,1,0,1,0,0|1,0,1]=4 18946 B13R1.2969 COCCOC(=O)CN(C)C1CC1 2230a_100000226674_200000040189 [0,1,0,1,0,0|2,0,0]=4 18947 B13R1.2969 COCCOC(=O)CN(C)C1CC1 269982a_100000226674_200000040189 [0,1,0,1,0,0|2,0,0]=4 18948 B13R1.2969 CSCCCC(=O)NC(C)C1CC1 11a_100000700016_100000173376 [0,1,0,1,0,0|2,0,0]=4 18949 B13R1.2969 CSCCCC(=O)NC(C)C1CC1 1626a_100000700016_100000173376 [0,1,0,1,0,0|2,0,0]=4 18950 B13R1.2969 CSCCCC(=O)NC(C)C1CC1 240690a_100000700016_100000173376 [0,1,0,1,0,0|2,0,0]=4 18951 B13R1.2969 CSCCCC(=O)NC(C)C1CC1 527a_100000700016_100000173376 [0,1,0,1,0,0|2,0,0]=4 18952 B13R1.54 CCCCCS(=O)(=O)N1CCCC1 270084a_100000188435_100000753860 [0,1,0,1,0,0|2,0,0]=4 18953 B13R1.54 CCCCCS(=O)(=O)N1CCCC1 274078a_100000188435_100000753860 [0,1,0,1,0,0|2,0,0]=4 18954 B13R1.54 CCCCNS(=O)(=O)C1CCCC1 270084a_100000102301_100000748936 [0,1,0,1,0,0|2,0,0]=4 18955 B13R1.54 CCCCNS(=O)(=O)C1CCCC1 274078a_100000102301_100000748936 [0,1,0,1,0,0|2,0,0]=4 18956 B13R1.54 CCCCOC(C)(C)C1CCCC1 34a_100000745555_100000210210 [0,1,0,1,0,0|1,0,1]=4 18957 B13R1.54 CCCCOC(C)(C)C1CCCC1 7a_100000745555_100000210211 [0,1,0,1,0,0|1,0,1]=4 18958 B13R1.2951 CCCCCS(=O)(=O)NC1CCC1 270084a_100000749019_100000753860 [0,1,0,1,0,0|2,0,0]=4 18959 B13R1.2951 CCCCCS(=O)(=O)NC1CCC1 274078a_100000749019_100000753860 [0,1,0,1,0,0|2,0,0]=4 18960 B13R1.2952 CCCCCS(=O)(=O)NCC1CC1 270084a_100000735609_100000753860 [0,1,0,1,0,0|2,0,0]=4 18961 B13R1.2952 CCCCCS(=O)(=O)NCC1CC1 274078a_100000735609_100000753860 [0,1,0,1,0,0|2,0,0]=4 18962 B13R1.2953 CCCCCS(=O)(=O)N1CCC1C 270084a_100000755817_100000753860 [0,1,0,1,0,0|2,0,0]=4 18963 B13R1.2953 CCCCCS(=O)(=O)N1CCC1C 274078a_100000755817_100000753860 [0,1,0,1,0,0|2,0,0]=4 18964 B13R1.166 CCC/C=C(\C)/C(=O)C1CCCC1 1458a_200020648666_100000179811 [0,1,0,1,0,0|1,0,1]=4 18965 B13R1.166 CCCCC(C)C(=O)C1=CCCC1 1458a_100000038896_200011215066 [0,1,0,1,0,0|1,0,1]=4 18966 B13R1.166 CCCCC(C)C(=O)C1CCCC1 1458a_100000210718_200011215066 [0,1,0,1,0,0|1,0,0]=3 18967 B13R1.166 CCCCC(C)C(=O)C1CCCC1 1458a_100000725509_100000179811 [0,1,0,1,0,0|1,0,0]=3 18968 B13R1.166 CCCCC(C)C(=O)C1CCCS1 1458a_100012002731_200011215066 [0,1,0,1,0,0|2,0,0]=4 18969 B13R1.166 CCCCC(C)C(=O)C1CCOC1 1458a_100000725509_100000690089 [0,1,0,1,0,0|2,0,0]=4 18970 B13R1.166 CCCCC(C)C(=O)C1CCOC1 1458a_100011219752_200011215066 [0,1,0,1,0,0|2,0,0]=4 18971 B13R1.166 CCCCC(C)C(=O)N1CCCC1 240690a_100000188435_100000725509 [0,1,0,1,0,0|1,0,0]=3 18972 B13R1.166 CCCCC(C)C(=O)N1CCCC1 527a_100000188435_100000725509 [0,1,0,1,0,0|1,0,0]=3 18973 B13R1.166 CCCCC(C)C(=O)N1CCSC1 11a_100011215254_100000725509 [0,1,0,1,0,0|2,0,0]=4 18974 B13R1.166 CCCCC(C)C(=O)N1CCSC1 240690a_100011215254_100000725509 [0,1,0,1,0,0|2,0,0]=4 18975 B13R1.166 CCCCC(C)C(=O)N1CCSC1 527a_100011215254_100000725509 [0,1,0,1,0,0|2,0,0]=4 18976 B13R1.166 CCCCC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_200011215066 [0,1,0,1,0,0|2,0,0]=4 18977 B13R1.166 CCCCC(O)C(=O)C1CCCC1 1458a_100000720857_100000179811 [0,1,0,1,0,0|1,0,0]=3 18978 B13R1.166 CCCCC(O)C(=O)C1CCOC1 1458a_100000720857_100000690089 [0,1,0,1,0,0|2,0,0]=4 18979 B13R1.166 CCCCC(O)C(=O)N1CCCC1 240690a_100000188435_100000720857 [0,1,0,1,0,0|1,0,0]=3 18980 B13R1.166 CCCCC(O)C(=O)N1CCCC1 527a_100000188435_100000720857 [0,1,0,1,0,0|1,0,0]=3 18981 B13R1.166 CCCCC(O)C(=O)N1CCSC1 240690a_100011215254_100000720857 [0,1,0,1,0,0|2,0,0]=4 18982 B13R1.166 CCCCC(O)C(=O)N1CCSC1 527a_100011215254_100000720857 [0,1,0,1,0,0|2,0,0]=4 18983 B13R1.166 CCCCN(C)C(=O)C1CCCC1 11a_100000207549_100000210718 [0,1,0,1,0,0|1,0,0]=3 18984 B13R1.166 CCCCN(C)C(=O)C1CCCC1 1626a_100000207549_100000210718 [0,1,0,1,0,0|1,0,0]=3 18985 B13R1.166 CCCCN(C)C(=O)C1CCCC1 240690a_100000207549_100000210718 [0,1,0,1,0,0|1,0,0]=3 18986 B13R1.166 CCCCN(C)C(=O)C1CCCC1 527a_100000207549_100000210718 [0,1,0,1,0,0|1,0,0]=3 18987 B13R1.166 CCCCN(C)C(=O)C1CCCS1 11a_100000207549_100012002731 [0,1,0,1,0,0|2,0,0]=4 18988 B13R1.166 CCCCN(C)C(=O)C1CCCS1 1626a_100000207549_100012002731 [0,1,0,1,0,0|2,0,0]=4 18989 B13R1.166 CCCCN(C)C(=O)C1CCCS1 240690a_100000207549_100012002731 [0,1,0,1,0,0|2,0,0]=4 18990 B13R1.166 CCCCN(C)C(=O)C1CCCS1 527a_100000207549_100012002731 [0,1,0,1,0,0|2,0,0]=4 18991 B13R1.166 CCCCN(C)C(=O)C1CCOC1 11a_100000207549_100011219752 [0,1,0,1,0,0|2,0,0]=4 18992 B13R1.166 CCCCN(C)C(=O)C1CCOC1 1626a_100000207549_100011219752 [0,1,0,1,0,0|2,0,0]=4 18993 B13R1.166 CCCCN(C)C(=O)C1CCOC1 240690a_100000207549_100011219752 [0,1,0,1,0,0|2,0,0]=4 18994 B13R1.166 CCCCN(C)C(=O)C1CCOC1 527a_100000207549_100011219752 [0,1,0,1,0,0|2,0,0]=4 18995 B13R1.166 CCCCN(C)C(=O)[C@@H]1CCCO1 11a_100000207549_100000686382 [0,1,0,1,0,0|2,0,0]=4 18996 B13R1.166 CCCCN(C)C(=O)[C@@H]1CCCO1 1626a_100000207549_100000686382 [0,1,0,1,0,0|2,0,0]=4 18997 B13R1.166 CCCCN(C)C(=O)[C@@H]1CCCO1 240690a_100000207549_100000686382 [0,1,0,1,0,0|2,0,0]=4 18998 B13R1.166 CCCCN(C)C(=O)[C@@H]1CCCO1 527a_100000207549_100000686382 [0,1,0,1,0,0|2,0,0]=4 18999 B13R1.166 CCCNC(=O)C(=O)C1CCCC1 1458a_200011297150_100000179811 [0,1,0,1,0,0|2,0,0]=4 19000 B13R1.166 CCCNC(C)C(=O)N1CCCC1 2230a_100000747167_100000210303 [0,1,0,1,0,0|2,0,0]=4 19001 B13R1.166 CCCO[C@@H](C)C(=O)N1CCCC1 34a_100009854435_100000210303 [0,1,0,1,0,0|2,0,0]=4 19002 B13R1.166 CCCO[C@@H](C)C(=O)N1CCCC1 7a_100009854435_100000210303 [0,1,0,1,0,0|2,0,0]=4 19003 B13R1.166 CCCSC(C)C(=O)N1CCCC1 62a_100000183899_100000210303 [0,1,0,1,0,0|2,0,0]=4 19004 B13R1.166 CCCSC(C)C(=O)N1CCCC1 62a_100000210303_100000183899 [0,1,0,1,0,0|2,0,0]=4 19005 B13R1.166 CN(CCCO)C(=O)C1CCCC1 240690a_100000213112_100000210718 [0,1,0,1,0,0|2,0,0]=4 19006 B13R1.166 CN(CCCO)C(=O)C1CCCC1 527a_100000213112_100000210718 [0,1,0,1,0,0|2,0,0]=4 19007 B13R1.166 COCCN(C)C(=O)C1CCCC1 11a_100000743101_100000210718 [0,1,0,1,0,0|2,0,0]=4 19008 B13R1.166 COCCN(C)C(=O)C1CCCC1 1626a_100000743101_100000210718 [0,1,0,1,0,0|2,0,0]=4 19009 B13R1.166 COCCN(C)C(=O)C1CCCC1 240690a_100000743101_100000210718 [0,1,0,1,0,0|2,0,0]=4 19010 B13R1.166 COCCN(C)C(=O)C1CCCC1 527a_100000743101_100000210718 [0,1,0,1,0,0|2,0,0]=4 19011 B13R1.166 CSCCC(O)C(=O)C1CCCC1 1458a_100000685904_100000179811 [0,1,0,1,0,0|2,0,0]=4 19012 B13R1.166 CSCCC(O)C(=O)N1CCCC1 240690a_100000188435_100000685904 [0,1,0,1,0,0|2,0,0]=4 19013 B13R1.166 CSCCN(C)C(=O)C1CCCC1 11a_100000686725_100000210718 [0,1,0,1,0,0|2,0,0]=4 19014 B13R1.166 CSCCN(C)C(=O)C1CCCC1 1626a_100000686725_100000210718 [0,1,0,1,0,0|2,0,0]=4 19015 B13R1.166 CSCCN(C)C(=O)C1CCCC1 240690a_100000686725_100000210718 [0,1,0,1,0,0|2,0,0]=4 19016 B13R1.166 CSCCN(C)C(=O)C1CCCC1 527a_100000686725_100000210718 [0,1,0,1,0,0|2,0,0]=4 19017 B13R1.656 CCCCOC1CC(CCC1C)C 34a_100011217446_100000210210 [0,1,0,1,0,0|1,0,1]=4 19018 B13R1.656 CCCCOC1CC(CCC1C)C 7a_100011217446_100000210211 [0,1,0,1,0,0|1,0,1]=4 19019 B13R1.1917 CCCNC1CCCCN(C1=O)C 2230a_100159325733_100000210303 [0,1,0,1,0,0|2,0,0]=4 19020 B13R1.1917 CCCNC1CCCCN(C1=O)C 34a_100159325733_100000210303 [0,1,0,1,0,0|2,0,0]=4 19021 B13R1.2747 CC1(CCCC1)C(=O)CCCCF 1458a_100000239728_100000729493 [0,1,0,1,0,0|2,0,0]=4 19022 B13R1.2747 CC1(CCCC1)C(=O)CCCCO 1458a_100000239728_100000210776 [0,1,0,1,0,0|2,0,0]=4 19023 B13R1.2747 CC1(CCCC1)C(=O)NCCCF 11a_100015189416_100000239728 [0,1,0,1,0,0|2,0,0]=4 19024 B13R1.2747 CC1(CCCC1)C(=O)NCCCF 1626a_100015189416_100000239728 [0,1,0,1,0,0|2,0,0]=4 19025 B13R1.2747 CC1(CCCC1)C(=O)NCCCF 240690a_100015189416_100000239728 [0,1,0,1,0,0|2,0,0]=4 19026 B13R1.2747 CC1(CCCC1)C(=O)NCCCF 527a_100015189416_100000239728 [0,1,0,1,0,0|2,0,0]=4 19027 B13R1.2747 CC1(CCCC1)C(=O)NCCCO 240690a_100000182051_100000239728 [0,1,0,1,0,0|2,0,0]=4 19028 B13R1.2747 CC1(CCCC1)C(=O)NCCCO 527a_100000182051_100000239728 [0,1,0,1,0,0|2,0,0]=4 19029 B13R1.2747 CCCCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210326 [0,1,0,1,0,0|1,0,0]=3 19030 B13R1.2747 CCCCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210326 [0,1,0,1,0,0|1,0,0]=3 19031 B13R1.2747 CCCCCC(=O)C1(CCCO1)C 1458a_100000684770_100000210326 [0,1,0,1,0,0|2,0,0]=4 19032 B13R1.2747 CCCCNC(=O)C1(CCCC1)C 11a_100000102301_100000239728 [0,1,0,1,0,0|1,0,0]=3 19033 B13R1.2747 CCCCNC(=O)C1(CCCC1)C 1626a_100000102301_100000239728 [0,1,0,1,0,0|1,0,0]=3 19034 B13R1.2747 CCCCNC(=O)C1(CCCC1)C 240690a_100000102301_100000239728 [0,1,0,1,0,0|1,0,0]=3 19035 B13R1.2747 CCCCNC(=O)C1(CCCC1)C 527a_100000102301_100000239728 [0,1,0,1,0,0|1,0,0]=3 19036 B13R1.2747 CCCCNC(=O)C1(CCCC1)O 240690a_100000102301_100000242637 [0,1,0,1,0,0|1,0,0]=3 19037 B13R1.2747 CCCCNC(=O)C1(CCCC1)O 527a_100000102301_100000242637 [0,1,0,1,0,0|1,0,0]=3 19038 B13R1.2747 CCCCNC(=O)C1(CCCO1)C 11a_100000102301_100000684770 [0,1,0,1,0,0|2,0,0]=4 19039 B13R1.2747 CCCCNC(=O)C1(CCCO1)C 1626a_100000102301_100000684770 [0,1,0,1,0,0|2,0,0]=4 19040 B13R1.2747 CCCCNC(=O)C1(CCCO1)C 240690a_100000102301_100000684770 [0,1,0,1,0,0|2,0,0]=4 19041 B13R1.2747 CCCCNC(=O)C1(CCCO1)C 527a_100000102301_100000684770 [0,1,0,1,0,0|2,0,0]=4 19042 B13R1.2747 CCCNNC(=O)C1(CCCC1)C 22a_100000740057_100000239728 [0,1,0,1,0,0|2,0,0]=4 19043 B13R1.2747 CCCNNC(=O)C1(CCCC1)O 22a_100000740057_100000242637 [0,1,0,1,0,0|2,0,0]=4 19044 B13R1.2747 CCOCCC(=O)C1(CCCC1)C 1458a_100000239728_100011215890 [0,1,0,1,0,0|2,0,0]=4 19045 B13R1.2747 CCOCCC(=O)C1(CCCC1)O 1458a_100000242637_100011215890 [0,1,0,1,0,0|2,0,0]=4 19046 B13R1.2747 CCSCCC(=O)C1(CCCC1)C 1458a_100000239728_100000757381 [0,1,0,1,0,0|2,0,0]=4 19047 B13R1.2747 CCSCCC(=O)C1(CCCC1)O 1458a_100000242637_100000757381 [0,1,0,1,0,0|2,0,0]=4 19048 B13R1.2747 COCCCC(=O)C1(CCCC1)C 1458a_100000239728_100000740836 [0,1,0,1,0,0|2,0,0]=4 19049 B13R1.2747 COCCCC(=O)C1(CCCC1)O 1458a_100000242637_100000740836 [0,1,0,1,0,0|2,0,0]=4 19050 B13R1.2747 COCCNC(=O)C1(CCCC1)C 1626a_100000209980_100000239728 [0,1,0,1,0,0|2,0,0]=4 19051 B13R1.2747 COCCNC(=O)C1(CCCC1)C 240690a_100000209980_100000239728 [0,1,0,1,0,0|2,0,0]=4 19052 B13R1.2747 COCCNC(=O)C1(CCCC1)C 527a_100000209980_100000239728 [0,1,0,1,0,0|2,0,0]=4 19053 B13R1.2747 COCCNC(=O)C1(CCCC1)O 240690a_100000209980_100000242637 [0,1,0,1,0,0|2,0,0]=4 19054 B13R1.2747 COCCNC(=O)C1(CCCC1)O 527a_100000209980_100000242637 [0,1,0,1,0,0|2,0,0]=4 19055 B13R1.2747 CSCCNC(=O)C1(CCCC1)C 11a_100020590264_100000239728 [0,1,0,1,0,0|2,0,0]=4 19056 B13R1.2747 CSCCNC(=O)C1(CCCC1)C 1626a_100020590264_100000239728 [0,1,0,1,0,0|2,0,0]=4 19057 B13R1.2747 CSCCNC(=O)C1(CCCC1)C 240690a_100020590264_100000239728 [0,1,0,1,0,0|2,0,0]=4 19058 B13R1.2747 CSCCNC(=O)C1(CCCC1)C 527a_100020590264_100000239728 [0,1,0,1,0,0|2,0,0]=4 19059 B13R1.2747 CSCCNC(=O)C1(CCCC1)O 240690a_100020590264_100000242637 [0,1,0,1,0,0|2,0,0]=4 19060 B13R1.2747 CSCCNC(=O)C1(CCCC1)O 527a_100020590264_100000242637 [0,1,0,1,0,0|2,0,0]=4 19061 B13R1.2747 O=C(CCCCF)C1(CCCC1)O 1458a_100000242637_100000729493 [0,1,0,1,0,0|2,0,0]=4 19062 B13R1.2747 O=C(CCCCO)C1(CCCC1)O 1458a_100000242637_100000210776 [0,1,0,1,0,0|2,0,0]=4 19063 B13R1.2747 O=C(NCCCF)C1(CCCC1)O 240690a_100015189416_100000242637 [0,1,0,1,0,0|2,0,0]=4 19064 B13R1.2747 O=C(NCCCF)C1(CCCC1)O 527a_100015189416_100000242637 [0,1,0,1,0,0|2,0,0]=4 19065 B13R1.2747 O=C(NCCCO)C1(CCCC1)O 240690a_100000182051_100000242637 [0,1,0,1,0,0|2,0,0]=4 19066 B13R1.2747 O=C(NCCCO)C1(CCCC1)O 527a_100000182051_100000242637 [0,1,0,1,0,0|2,0,0]=4 19067 B13R1.3135 CCCCCC(=O)N(C)C1CCC1 11a_100000758072_100000212188 [0,1,0,1,0,0|1,0,0]=3 19068 B13R1.3135 CCCCCC(=O)N(C)C1CCC1 1626a_100000758072_100000212188 [0,1,0,1,0,0|1,0,0]=3 19069 B13R1.3135 CCCCCC(=O)N(C)C1CCC1 240690a_100000758072_100000212188 [0,1,0,1,0,0|1,0,0]=3 19070 B13R1.3135 CCCCCC(=O)N(C)C1CCC1 527a_100000758072_100000212188 [0,1,0,1,0,0|1,0,0]=3 19071 B13R1.3135 CCCCCC(=O)N(C)C1COC1 11a_100102693430_100000212188 [0,1,0,1,0,0|2,0,0]=4 19072 B13R1.3135 CCCCCC(=O)N(C)C1COC1 1626a_100102693430_100000212188 [0,1,0,1,0,0|2,0,0]=4 19073 B13R1.3135 CCCCCC(=O)N(C)C1COC1 240690a_100102693430_100000212188 [0,1,0,1,0,0|2,0,0]=4 19074 B13R1.3135 CCCCCC(=O)N(C)C1COC1 527a_100102693430_100000212188 [0,1,0,1,0,0|2,0,0]=4 19075 B13R1.3135 CCCCNC(=O)C(C)N1CCC1 269982a_100000754969_100000735917 [0,1,0,1,0,0|2,0,0]=4 19076 B13R1.3135 CCCCNC(=O)N(C)C1CCC1 2708a_100000102301_100000758072 [0,1,0,1,0,0|2,0,0]=4 19077 B13R1.3135 CCCCNC(=O)N(C)C1CCC1 273464a_100000102301_100000758072 [0,1,0,1,0,0|2,0,0]=4 19078 B13R1.3135 CCCCOC(=O)C(C)N1CCC1 269982a_100000754969_100000759602 [0,1,0,1,0,0|1,0,0]=3 19079 B13R1.3135 CCCOCC(=O)N(C)C1CCC1 11a_100000758072_100000745993 [0,1,0,1,0,0|2,0,0]=4 19080 B13R1.3135 CCCOCC(=O)N(C)C1CCC1 1626a_100000758072_100000745993 [0,1,0,1,0,0|2,0,0]=4 19081 B13R1.3135 CCCOCC(=O)N(C)C1CCC1 240690a_100000758072_100000745993 [0,1,0,1,0,0|2,0,0]=4 19082 B13R1.3135 CCCOCC(=O)N(C)C1CCC1 527a_100000758072_100000745993 [0,1,0,1,0,0|2,0,0]=4 19083 B13R1.3135 CCCSCC(=O)N(C)C1CCC1 11a_100000758072_100000217233 [0,1,0,1,0,0|2,0,0]=4 19084 B13R1.3135 CCCSCC(=O)N(C)C1CCC1 1626a_100000758072_100000217233 [0,1,0,1,0,0|2,0,0]=4 19085 B13R1.3135 CCCSCC(=O)N(C)C1CCC1 240690a_100000758072_100000217233 [0,1,0,1,0,0|2,0,0]=4 19086 B13R1.3135 CCCSCC(=O)N(C)C1CCC1 527a_100000758072_100000217233 [0,1,0,1,0,0|2,0,0]=4 19087 B13R1.3135 CCOCCC(=O)N(C)C1CCC1 11a_100000758072_100000749530 [0,1,0,1,0,0|2,0,0]=4 19088 B13R1.3135 CCOCCC(=O)N(C)C1CCC1 1626a_100000758072_100000749530 [0,1,0,1,0,0|2,0,0]=4 19089 B13R1.3135 CCOCCC(=O)N(C)C1CCC1 240690a_100000758072_100000749530 [0,1,0,1,0,0|2,0,0]=4 19090 B13R1.3135 CCOCCC(=O)N(C)C1CCC1 527a_100000758072_100000749530 [0,1,0,1,0,0|2,0,0]=4 19091 B13R1.3135 CCSCCC(=O)N(C)C1CCC1 11a_100000758072_100000230768 [0,1,0,1,0,0|2,0,0]=4 19092 B13R1.3135 CCSCCC(=O)N(C)C1CCC1 1626a_100000758072_100000230768 [0,1,0,1,0,0|2,0,0]=4 19093 B13R1.3135 CCSCCC(=O)N(C)C1CCC1 240690a_100000758072_100000230768 [0,1,0,1,0,0|2,0,0]=4 19094 B13R1.3135 CCSCCC(=O)N(C)C1CCC1 527a_100000758072_100000230768 [0,1,0,1,0,0|2,0,0]=4 19095 B13R1.3135 CN(C(=O)CCCCO)C1CCC1 1626a_100000758072_100000695505 [0,1,0,1,0,0|2,0,0]=4 19096 B13R1.3135 COCCCC(=O)N(C)C1CCC1 11a_100000758072_100000741012 [0,1,0,1,0,0|2,0,0]=4 19097 B13R1.3135 COCCCC(=O)N(C)C1CCC1 1626a_100000758072_100000741012 [0,1,0,1,0,0|2,0,0]=4 19098 B13R1.3135 COCCCC(=O)N(C)C1CCC1 240690a_100000758072_100000741012 [0,1,0,1,0,0|2,0,0]=4 19099 B13R1.3135 COCCCC(=O)N(C)C1CCC1 527a_100000758072_100000741012 [0,1,0,1,0,0|2,0,0]=4 19100 B13R1.3135 CSCCCC(=O)N(C)C1CCC1 11a_100000758072_100000173376 [0,1,0,1,0,0|2,0,0]=4 19101 B13R1.3135 CSCCCC(=O)N(C)C1CCC1 1626a_100000758072_100000173376 [0,1,0,1,0,0|2,0,0]=4 19102 B13R1.3135 CSCCCC(=O)N(C)C1CCC1 240690a_100000758072_100000173376 [0,1,0,1,0,0|2,0,0]=4 19103 B13R1.3135 CSCCCC(=O)N(C)C1CCC1 527a_100000758072_100000173376 [0,1,0,1,0,0|2,0,0]=4 19104 B13R1.3137 CCCCCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210326 [0,1,0,1,0,0|2,0,0]=4 19105 B13R1.3137 CCCCCC(=O)N(C)CC1CC1 11a_100000741881_100000212188 [0,1,0,1,0,0|1,0,0]=3 19106 B13R1.3137 CCCCCC(=O)N(C)CC1CC1 1626a_100000741881_100000212188 [0,1,0,1,0,0|1,0,0]=3 19107 B13R1.3137 CCCCCC(=O)N(C)CC1CC1 240690a_100000741881_100000212188 [0,1,0,1,0,0|1,0,0]=3 19108 B13R1.3137 CCCCCC(=O)N(C)CC1CC1 527a_100000741881_100000212188 [0,1,0,1,0,0|1,0,0]=3 19109 B13R1.3137 CCCCNC(=O)C(C)NC1CC1 34a_100000212008_100000735917 [0,1,0,1,0,0|2,0,0]=4 19110 B13R1.3137 CCCCNC(=O)C(C)SC1CC1 62a_100000735917_100000211595 [0,1,0,1,0,0|2,0,0]=4 19111 B13R1.3137 CCCCNC(=O)N(C)CC1CC1 2708a_100000102301_100000741881 [0,1,0,1,0,0|2,0,0]=4 19112 B13R1.3137 CCCCNC(=O)N(C)CC1CC1 273464a_100000102301_100000741881 [0,1,0,1,0,0|2,0,0]=4 19113 B13R1.3137 CCCCOC(=O)C(C)NC1CC1 34a_100000212008_100000759602 [0,1,0,1,0,0|1,0,0]=3 19114 B13R1.3137 CCCCOC(=O)C(C)OC1CC1 34a_100000038973_100000211595 [0,1,0,1,0,0|1,0,0]=3 19115 B13R1.3137 CCCCOC(=O)C(C)SC1CC1 62a_100000759602_100000211595 [0,1,0,1,0,0|1,0,0]=3 19116 B13R1.3137 CCCOCC(=O)N(C)CC1CC1 11a_100000741881_100000745993 [0,1,0,1,0,0|2,0,0]=4 19117 B13R1.3137 CCCOCC(=O)N(C)CC1CC1 1626a_100000741881_100000745993 [0,1,0,1,0,0|2,0,0]=4 19118 B13R1.3137 CCCOCC(=O)N(C)CC1CC1 240690a_100000741881_100000745993 [0,1,0,1,0,0|2,0,0]=4 19119 B13R1.3137 CCCOCC(=O)N(C)CC1CC1 527a_100000741881_100000745993 [0,1,0,1,0,0|2,0,0]=4 19120 B13R1.3137 CCCSCC(=O)N(C)CC1CC1 11a_100000741881_100000217233 [0,1,0,1,0,0|2,0,0]=4 19121 B13R1.3137 CCCSCC(=O)N(C)CC1CC1 1626a_100000741881_100000217233 [0,1,0,1,0,0|2,0,0]=4 19122 B13R1.3137 CCCSCC(=O)N(C)CC1CC1 240690a_100000741881_100000217233 [0,1,0,1,0,0|2,0,0]=4 19123 B13R1.3137 CCCSCC(=O)N(C)CC1CC1 527a_100000741881_100000217233 [0,1,0,1,0,0|2,0,0]=4 19124 B13R1.3137 CCOCCC(=O)N(C)CC1CC1 11a_100000741881_100000749530 [0,1,0,1,0,0|2,0,0]=4 19125 B13R1.3137 CCOCCC(=O)N(C)CC1CC1 1626a_100000741881_100000749530 [0,1,0,1,0,0|2,0,0]=4 19126 B13R1.3137 CCOCCC(=O)N(C)CC1CC1 240690a_100000741881_100000749530 [0,1,0,1,0,0|2,0,0]=4 19127 B13R1.3137 CCOCCC(=O)N(C)CC1CC1 527a_100000741881_100000749530 [0,1,0,1,0,0|2,0,0]=4 19128 B13R1.3137 CCSCCC(=O)N(C)CC1CC1 11a_100000741881_100000230768 [0,1,0,1,0,0|2,0,0]=4 19129 B13R1.3137 CCSCCC(=O)N(C)CC1CC1 1626a_100000741881_100000230768 [0,1,0,1,0,0|2,0,0]=4 19130 B13R1.3137 CCSCCC(=O)N(C)CC1CC1 240690a_100000741881_100000230768 [0,1,0,1,0,0|2,0,0]=4 19131 B13R1.3137 CCSCCC(=O)N(C)CC1CC1 527a_100000741881_100000230768 [0,1,0,1,0,0|2,0,0]=4 19132 B13R1.3137 CN(CC1CC1)C(=O)CCCCO 1626a_100000741881_100000695505 [0,1,0,1,0,0|2,0,0]=4 19133 B13R1.3137 COCCCC(=O)N(C)CC1CC1 11a_100000741881_100000741012 [0,1,0,1,0,0|2,0,0]=4 19134 B13R1.3137 COCCCC(=O)N(C)CC1CC1 1626a_100000741881_100000741012 [0,1,0,1,0,0|2,0,0]=4 19135 B13R1.3137 COCCCC(=O)N(C)CC1CC1 240690a_100000741881_100000741012 [0,1,0,1,0,0|2,0,0]=4 19136 B13R1.3137 COCCCC(=O)N(C)CC1CC1 527a_100000741881_100000741012 [0,1,0,1,0,0|2,0,0]=4 19137 B13R1.3137 CSCCCC(=O)N(C)CC1CC1 11a_100000741881_100000173376 [0,1,0,1,0,0|2,0,0]=4 19138 B13R1.3137 CSCCCC(=O)N(C)CC1CC1 1626a_100000741881_100000173376 [0,1,0,1,0,0|2,0,0]=4 19139 B13R1.3137 CSCCCC(=O)N(C)CC1CC1 240690a_100000741881_100000173376 [0,1,0,1,0,0|2,0,0]=4 19140 B13R1.3137 CSCCCC(=O)N(C)CC1CC1 527a_100000741881_100000173376 [0,1,0,1,0,0|2,0,0]=4 19141 B13R1.3552 CCC1CC1C(=O)N(C)CCCO 240690a_100000213112_200011661523 [0,1,0,1,0,0|2,0,0]=4 19142 B13R1.3552 CCC1CC1C(=O)N(C)CCCO 527a_100000213112_200011661523 [0,1,0,1,0,0|2,0,0]=4 19143 B13R1.3552 CCC1CC1C(=O)N(C)CCOC 11a_100000743101_200011661523 [0,1,0,1,0,0|2,0,0]=4 19144 B13R1.3552 CCC1CC1C(=O)N(C)CCOC 1626a_100000743101_200011661523 [0,1,0,1,0,0|2,0,0]=4 19145 B13R1.3552 CCC1CC1C(=O)N(C)CCOC 240690a_100000743101_200011661523 [0,1,0,1,0,0|2,0,0]=4 19146 B13R1.3552 CCC1CC1C(=O)N(C)CCOC 527a_100000743101_200011661523 [0,1,0,1,0,0|2,0,0]=4 19147 B13R1.3552 CCC1CC1C(=O)N(C)CCSC 11a_100000686725_200011661523 [0,1,0,1,0,0|2,0,0]=4 19148 B13R1.3552 CCC1CC1C(=O)N(C)CCSC 1626a_100000686725_200011661523 [0,1,0,1,0,0|2,0,0]=4 19149 B13R1.3552 CCC1CC1C(=O)N(C)CCSC 240690a_100000686725_200011661523 [0,1,0,1,0,0|2,0,0]=4 19150 B13R1.3552 CCC1CC1C(=O)N(C)CCSC 527a_100000686725_200011661523 [0,1,0,1,0,0|2,0,0]=4 19151 B13R1.3552 CCCCC(C)C(=O)C1CC1CC 1458a_200011661523_200011215066 [0,1,0,1,0,0|1,0,0]=3 19152 B13R1.3552 CCCCN(C)C(=O)C1CC1CC 11a_100000207549_200011661523 [0,1,0,1,0,0|1,0,0]=3 19153 B13R1.3552 CCCCN(C)C(=O)C1CC1CC 1626a_100000207549_200011661523 [0,1,0,1,0,0|1,0,0]=3 19154 B13R1.3552 CCCCN(C)C(=O)C1CC1CC 240690a_100000207549_200011661523 [0,1,0,1,0,0|1,0,0]=3 19155 B13R1.3552 CCCCN(C)C(=O)C1CC1CC 527a_100000207549_200011661523 [0,1,0,1,0,0|1,0,0]=3 19156 B13R1.3553 CCCCC(C)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000725509 [0,1,0,1,0,0|2,0,0]=4 19157 B13R1.3553 CCCCC(C)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000725509 [0,1,0,1,0,0|2,0,0]=4 19158 B13R1.3553 CCCCC(C)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000725509 [0,1,0,1,0,0|2,0,0]=4 19159 B13R1.3553 CCCCC(C)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000725509 [0,1,0,1,0,0|2,0,0]=4 19160 B13R1.3553 CCCCC(C)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000725509 [0,1,0,1,0,0|2,0,0]=4 19161 B13R1.3553 CCCCC(C)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000725509 [0,1,0,1,0,0|2,0,0]=4 19162 B13R1.3553 CCCCC(O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000720857 [0,1,0,1,0,0|2,0,0]=4 19163 B13R1.3553 CCCCC(O)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000720857 [0,1,0,1,0,0|2,0,0]=4 19164 B13R1.3553 CCCCC(O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000720857 [0,1,0,1,0,0|2,0,0]=4 19165 B13R1.3553 CCCCC(O)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000720857 [0,1,0,1,0,0|2,0,0]=4 19166 B13R1.3554 CCC/C=C(\C)/C(=O)CC1CCC1 1458a_200020648666_100000763275 [0,1,0,1,0,0|1,0,1]=4 19167 B13R1.3554 CCCCC(C)C(=O)C=C1CCC1 1458a_100000686340_200011215066 [0,1,0,1,0,0|1,0,1]=4 19168 B13R1.3554 CCCCC(C)C(=O)CC1CCC1 1458a_100000725509_100000763275 [0,1,0,1,0,0|1,0,0]=3 19169 B13R1.3554 CCCCC(C)C(=O)CC1CCC1 1458a_100000763092_200011215066 [0,1,0,1,0,0|1,0,0]=3 19170 B13R1.3554 CCCCC(C)C(=O)CC1CCO1 1458a_100000725509_100000103362 [0,1,0,1,0,0|2,0,0]=4 19171 B13R1.3554 CCCCC(C)C(=O)CC1COC1 1458a_100000687760_200011215066 [0,1,0,1,0,0|2,0,0]=4 19172 B13R1.3554 CCCCC(C)C(=O)CC1COC1 1458a_100000725509_100010264016 [0,1,0,1,0,0|2,0,0]=4 19173 B13R1.3554 CCCCC(C)C(=O)NC1CCC1 11a_100000749019_100000725509 [0,1,0,1,0,0|1,0,0]=3 19174 B13R1.3554 CCCCC(C)C(=O)NC1CCC1 1626a_100000749019_100000725509 [0,1,0,1,0,0|1,0,0]=3 19175 B13R1.3554 CCCCC(C)C(=O)NC1CCC1 240690a_100000749019_100000725509 [0,1,0,1,0,0|1,0,0]=3 19176 B13R1.3554 CCCCC(C)C(=O)NC1CCC1 527a_100000749019_100000725509 [0,1,0,1,0,0|1,0,0]=3 19177 B13R1.3554 CCCCC(C)C(=O)NC1COC1 11a_100016991112_100000725509 [0,1,0,1,0,0|2,0,0]=4 19178 B13R1.3554 CCCCC(C)C(=O)NC1COC1 1626a_100016991112_100000725509 [0,1,0,1,0,0|2,0,0]=4 19179 B13R1.3554 CCCCC(C)C(=O)NC1COC1 240690a_100016991112_100000725509 [0,1,0,1,0,0|2,0,0]=4 19180 B13R1.3554 CCCCC(C)C(=O)NC1COC1 527a_100016991112_100000725509 [0,1,0,1,0,0|2,0,0]=4 19181 B13R1.3554 CCCCC(C)C(=O)NC1CSC1 11a_100016994217_100000725509 [0,1,0,1,0,0|2,0,0]=4 19182 B13R1.3554 CCCCC(C)C(=O)NC1CSC1 1626a_100016994217_100000725509 [0,1,0,1,0,0|2,0,0]=4 19183 B13R1.3554 CCCCC(C)C(=O)NC1CSC1 240690a_100016994217_100000725509 [0,1,0,1,0,0|2,0,0]=4 19184 B13R1.3554 CCCCC(C)C(=O)NC1CSC1 527a_100016994217_100000725509 [0,1,0,1,0,0|2,0,0]=4 19185 B13R1.3554 CCCCC(O)C(=O)CC1CCC1 1458a_100000720857_100000763275 [0,1,0,1,0,0|1,0,0]=3 19186 B13R1.3554 CCCCC(O)C(=O)CC1CCO1 1458a_100000720857_100000103362 [0,1,0,1,0,0|2,0,0]=4 19187 B13R1.3554 CCCCC(O)C(=O)CC1COC1 1458a_100000720857_100010264016 [0,1,0,1,0,0|2,0,0]=4 19188 B13R1.3554 CCCCC(O)C(=O)NC1CCC1 240690a_100000749019_100000720857 [0,1,0,1,0,0|1,0,0]=3 19189 B13R1.3554 CCCCC(O)C(=O)NC1CCC1 527a_100000749019_100000720857 [0,1,0,1,0,0|1,0,0]=3 19190 B13R1.3554 CCCCC(O)C(=O)NC1COC1 240690a_100016991112_100000720857 [0,1,0,1,0,0|2,0,0]=4 19191 B13R1.3554 CCCCC(O)C(=O)NC1COC1 527a_100016991112_100000720857 [0,1,0,1,0,0|2,0,0]=4 19192 B13R1.3554 CCCCC(O)C(=O)NC1CSC1 240690a_100016994217_100000720857 [0,1,0,1,0,0|2,0,0]=4 19193 B13R1.3554 CCCCC(O)C(=O)NC1CSC1 527a_100016994217_100000720857 [0,1,0,1,0,0|2,0,0]=4 19194 B13R1.3554 CCCCN(C)C(=O)CC1CCC1 11a_100000207549_100000763092 [0,1,0,1,0,0|1,0,0]=3 19195 B13R1.3554 CCCCN(C)C(=O)CC1CCC1 1626a_100000207549_100000763092 [0,1,0,1,0,0|1,0,0]=3 19196 B13R1.3554 CCCCN(C)C(=O)CC1CCC1 240690a_100000207549_100000763092 [0,1,0,1,0,0|1,0,0]=3 19197 B13R1.3554 CCCCN(C)C(=O)CC1CCC1 527a_100000207549_100000763092 [0,1,0,1,0,0|1,0,0]=3 19198 B13R1.3554 CCCCN(C)C(=O)CC1COC1 11a_100000207549_100000687760 [0,1,0,1,0,0|2,0,0]=4 19199 B13R1.3554 CCCCN(C)C(=O)CC1COC1 1626a_100000207549_100000687760 [0,1,0,1,0,0|2,0,0]=4 19200 B13R1.3554 CCCCN(C)C(=O)CN1CCC1 269982a_100000754969_100000230175 [0,1,0,1,0,0|2,0,0]=4 19201 B13R1.3554 CCCCN(C)C(=O)NC1CCC1 273464a_100000749019_100000207549 [0,1,0,1,0,0|2,0,0]=4 19202 B13R1.3554 CCCNC(=O)C(=O)CC1CCC1 1458a_200011297150_100000763275 [0,1,0,1,0,0|2,0,0]=4 19203 B13R1.3554 CN(CCCO)C(=O)CC1CCC1 240690a_100000213112_100000763092 [0,1,0,1,0,0|2,0,0]=4 19204 B13R1.3554 CN(CCCO)C(=O)CC1CCC1 527a_100000213112_100000763092 [0,1,0,1,0,0|2,0,0]=4 19205 B13R1.3554 COCCN(C)C(=O)CC1CCC1 11a_100000743101_100000763092 [0,1,0,1,0,0|2,0,0]=4 19206 B13R1.3554 COCCN(C)C(=O)CC1CCC1 1626a_100000743101_100000763092 [0,1,0,1,0,0|2,0,0]=4 19207 B13R1.3554 COCCN(C)C(=O)CC1CCC1 240690a_100000743101_100000763092 [0,1,0,1,0,0|2,0,0]=4 19208 B13R1.3554 COCCN(C)C(=O)CC1CCC1 527a_100000743101_100000763092 [0,1,0,1,0,0|2,0,0]=4 19209 B13R1.3554 CSCCC(O)C(=O)CC1CCC1 1458a_100000685904_100000763275 [0,1,0,1,0,0|2,0,0]=4 19210 B13R1.3554 CSCCC(O)C(=O)NC1CCC1 240690a_100000749019_100000685904 [0,1,0,1,0,0|2,0,0]=4 19211 B13R1.3554 CSCCN(C)C(=O)CC1CCC1 11a_100000686725_100000763092 [0,1,0,1,0,0|2,0,0]=4 19212 B13R1.3554 CSCCN(C)C(=O)CC1CCC1 1626a_100000686725_100000763092 [0,1,0,1,0,0|2,0,0]=4 19213 B13R1.3554 CSCCN(C)C(=O)CC1CCC1 240690a_100000686725_100000763092 [0,1,0,1,0,0|2,0,0]=4 19214 B13R1.3554 CSCCN(C)C(=O)CC1CCC1 527a_100000686725_100000763092 [0,1,0,1,0,0|2,0,0]=4 19215 B13R1.3555 CCC/C=C(\C)/C(=O)CCC1CC1 1458a_200020648666_100000694398 [0,1,0,1,0,0|1,0,1]=4 19216 B13R1.3555 CCCCC(C)C(=O)C=CC1CC1 1458a_100102529529_200011215066 [0,1,0,1,0,0|1,0,1]=4 19217 B13R1.3555 CCCCC(C)C(=O)CCC1CC1 1458a_100000725509_100000694398 [0,1,0,1,0,0|1,0,0]=3 19218 B13R1.3555 CCCCC(C)C(=O)CCC1CC1 1458a_100000756386_200011215066 [0,1,0,1,0,0|1,0,0]=3 19219 B13R1.3555 CCCCC(C)C(=O)CCC1CO1 1458a_100000725509_100000732470 [0,1,0,1,0,0|2,0,0]=4 19220 B13R1.3555 CCCCC(C)C(=O)NCC1CC1 11a_100000735609_100000725509 [0,1,0,1,0,0|1,0,0]=3 19221 B13R1.3555 CCCCC(C)C(=O)NCC1CC1 1626a_100000735609_100000725509 [0,1,0,1,0,0|1,0,0]=3 19222 B13R1.3555 CCCCC(C)C(=O)NCC1CC1 240690a_100000735609_100000725509 [0,1,0,1,0,0|1,0,0]=3 19223 B13R1.3555 CCCCC(C)C(=O)NCC1CC1 527a_100000735609_100000725509 [0,1,0,1,0,0|1,0,0]=3 19224 B13R1.3555 CCCCC(C)C(=O)NNC1CC1 22a_100000701032_100000725509 [0,1,0,1,0,0|2,0,0]=4 19225 B13R1.3555 CCCCC(O)C(=O)CCC1CC1 1458a_100000720857_100000694398 [0,1,0,1,0,0|1,0,0]=3 19226 B13R1.3555 CCCCC(O)C(=O)CCC1CO1 1458a_100000720857_100000732470 [0,1,0,1,0,0|2,0,0]=4 19227 B13R1.3555 CCCCC(O)C(=O)NCC1CC1 240690a_100000735609_100000720857 [0,1,0,1,0,0|1,0,0]=3 19228 B13R1.3555 CCCCC(O)C(=O)NCC1CC1 527a_100000735609_100000720857 [0,1,0,1,0,0|1,0,0]=3 19229 B13R1.3555 CCCCC(O)C(=O)NNC1CC1 22a_100000701032_100000720857 [0,1,0,1,0,0|2,0,0]=4 19230 B13R1.3555 CCCCN(C)C(=O)CCC1CC1 11a_100000207549_100000756386 [0,1,0,1,0,0|1,0,0]=3 19231 B13R1.3555 CCCCN(C)C(=O)CCC1CC1 1626a_100000207549_100000756386 [0,1,0,1,0,0|1,0,0]=3 19232 B13R1.3555 CCCCN(C)C(=O)CCC1CC1 240690a_100000207549_100000756386 [0,1,0,1,0,0|1,0,0]=3 19233 B13R1.3555 CCCCN(C)C(=O)CCC1CC1 527a_100000207549_100000756386 [0,1,0,1,0,0|1,0,0]=3 19234 B13R1.3555 CCCCN(C)C(=O)CNC1CC1 34a_100000212008_100000230175 [0,1,0,1,0,0|2,0,0]=4 19235 B13R1.3555 CCCCN(C)C(=O)CSC1CC1 62a_100000230175_100000211595 [0,1,0,1,0,0|2,0,0]=4 19236 B13R1.3555 CCCCN(C)C(=O)NCC1CC1 2708a_100000735609_100000207549 [0,1,0,1,0,0|2,0,0]=4 19237 B13R1.3555 CCCCN(C)C(=O)NCC1CC1 273464a_100000735609_100000207549 [0,1,0,1,0,0|2,0,0]=4 19238 B13R1.3555 CCCNC(=O)C(=O)CCC1CC1 1458a_200011297150_100000694398 [0,1,0,1,0,0|2,0,0]=4 19239 B13R1.3555 CN(CCCO)C(=O)CCC1CC1 240690a_100000213112_100000756386 [0,1,0,1,0,0|2,0,0]=4 19240 B13R1.3555 CN(CCCO)C(=O)CCC1CC1 527a_100000213112_100000756386 [0,1,0,1,0,0|2,0,0]=4 19241 B13R1.3555 COCCN(C)C(=O)CCC1CC1 11a_100000743101_100000756386 [0,1,0,1,0,0|2,0,0]=4 19242 B13R1.3555 COCCN(C)C(=O)CCC1CC1 1626a_100000743101_100000756386 [0,1,0,1,0,0|2,0,0]=4 19243 B13R1.3555 COCCN(C)C(=O)CCC1CC1 240690a_100000743101_100000756386 [0,1,0,1,0,0|2,0,0]=4 19244 B13R1.3555 COCCN(C)C(=O)CCC1CC1 527a_100000743101_100000756386 [0,1,0,1,0,0|2,0,0]=4 19245 B13R1.3555 CSCCC(O)C(=O)CCC1CC1 1458a_100000685904_100000694398 [0,1,0,1,0,0|2,0,0]=4 19246 B13R1.3555 CSCCC(O)C(=O)NCC1CC1 240690a_100000735609_100000685904 [0,1,0,1,0,0|2,0,0]=4 19247 B13R1.3555 CSCCN(C)C(=O)CCC1CC1 11a_100000686725_100000756386 [0,1,0,1,0,0|2,0,0]=4 19248 B13R1.3555 CSCCN(C)C(=O)CCC1CC1 1626a_100000686725_100000756386 [0,1,0,1,0,0|2,0,0]=4 19249 B13R1.3555 CSCCN(C)C(=O)CCC1CC1 240690a_100000686725_100000756386 [0,1,0,1,0,0|2,0,0]=4 19250 B13R1.3555 CSCCN(C)C(=O)CCC1CC1 527a_100000686725_100000756386 [0,1,0,1,0,0|2,0,0]=4 19251 B13R1.3556 CCCCC(C)C(=O)N1CCC1C 11a_100000755817_100000725509 [0,1,0,1,0,0|1,0,0]=3 19252 B13R1.3556 CCCCC(C)C(=O)N1CCC1C 240690a_100000755817_100000725509 [0,1,0,1,0,0|1,0,0]=3 19253 B13R1.3556 CCCCC(C)C(=O)N1CCC1C 527a_100000755817_100000725509 [0,1,0,1,0,0|1,0,0]=3 19254 B13R1.3556 CCCCC(O)C(=O)N1CCC1C 240690a_100000755817_100000720857 [0,1,0,1,0,0|1,0,0]=3 19255 B13R1.3556 CCCCC(O)C(=O)N1CCC1C 527a_100000755817_100000720857 [0,1,0,1,0,0|1,0,0]=3 19256 B13R1.3556 CSCCC(O)C(=O)N1CCC1C 240690a_100000755817_100000685904 [0,1,0,1,0,0|2,0,0]=4 19257 B13R2.3045 O=C1CCCCCC1SC2CC2 62a_100000243696_100000211595 [0,0,0,2,0,0|2,0,0]=4 19258 B13R2.3045 O=C1NCCCCC1NC2CC2 34a_100000698827_100000211595 [0,0,0,2,0,0|2,0,0]=4 19259 B13R2.3045 O=C1NCCCCC1SC2CC2 62a_100000735217_100000211595 [0,0,0,2,0,0|2,0,0]=4 19260 B13R2.4901 O=C1CCCCCC1N2CCC2 269982a_100000754969_100000243696 [0,0,0,2,0,0|2,0,0]=4 19261 B13R2.4901 O=C1NCCCCC1N2CCC2 269982a_100000754969_100000735217 [0,0,0,2,0,0|2,0,0]=4 19262 B13R2.2520 CCCCOC1CC2CCC1C2 34a_100000210227_100000727232 [0,0,0,2,0,0|1,0,1]=4 19263 B13R2.2520 CCCCOC1CC2CCC1C2 34a_100000211339_100000210210 [0,0,0,2,0,0|1,0,1]=4 19264 B13R2.3021 CC1CCCC(C1)OC2CCC2 34a_100000211399_100000749161 [0,0,0,2,0,0|1,0,1]=4 19265 B13R2.5331 CC1CCCC(C1)OCC2CC2 34a_100000211399_100000742324 [0,0,0,2,0,0|1,0,1]=4 19266 B13R2.195 O=C(N[C@@H]1C[C@@H]1F)C2CCCC2 240690a_100015190264_100000210718 [0,0,0,2,0,0|2,0,0]=4 19267 B13R2.195 O=C(N[C@@H]1C[C@@H]1F)C2CCCC2 527a_100015190264_100000210718 [0,0,0,2,0,0|2,0,0]=4 19268 B13R2.195 O=C(N[C@@H]1C[C@H]1F)C2CCCC2 11a_100025746932_100000210718 [0,0,0,2,0,0|2,0,0]=4 19269 B13R2.195 O=C(N[C@@H]1C[C@H]1F)C2CCCC2 1626a_100025746932_100000210718 [0,0,0,2,0,0|2,0,0]=4 19270 B13R2.195 O=C(N[C@@H]1C[C@H]1F)C2CCCC2 240690a_100025746932_100000210718 [0,0,0,2,0,0|2,0,0]=4 19271 B13R2.195 O=C(N[C@@H]1C[C@H]1F)C2CCCC2 527a_100025746932_100000210718 [0,0,0,2,0,0|2,0,0]=4 19272 B13R2.405 CC1CCN1C(=O)C2CCCC2 11a_100000755817_100000210718 [0,0,0,2,0,0|1,0,0]=3 19273 B13R2.405 CC1CCN1C(=O)C2CCCC2 240690a_100000755817_100000210718 [0,0,0,2,0,0|1,0,0]=3 19274 B13R2.405 CC1CCN1C(=O)C2CCCC2 527a_100000755817_100000210718 [0,0,0,2,0,0|1,0,0]=3 19275 B13R2.405 CC1CCN1C(=O)C2CCCS2 11a_100000755817_100012002731 [0,0,0,2,0,0|2,0,0]=4 19276 B13R2.405 CC1CCN1C(=O)C2CCCS2 240690a_100000755817_100012002731 [0,0,0,2,0,0|2,0,0]=4 19277 B13R2.405 CC1CCN1C(=O)C2CCCS2 527a_100000755817_100012002731 [0,0,0,2,0,0|2,0,0]=4 19278 B13R2.405 CC1CCN1C(=O)C2CCOC2 11a_100000755817_100011219752 [0,0,0,2,0,0|2,0,0]=4 19279 B13R2.405 CC1CCN1C(=O)C2CCOC2 240690a_100000755817_100011219752 [0,0,0,2,0,0|2,0,0]=4 19280 B13R2.405 CC1CCN1C(=O)C2CCOC2 527a_100000755817_100011219752 [0,0,0,2,0,0|2,0,0]=4 19281 B13R2.405 CC1CCN1C(=O)[C@@H]2CCCO2 11a_100000755817_100000686382 [0,0,0,2,0,0|2,0,0]=4 19282 B13R2.405 CC1CCN1C(=O)[C@@H]2CCCO2 240690a_100000755817_100000686382 [0,0,0,2,0,0|2,0,0]=4 19283 B13R2.405 CC1CCN1C(=O)[C@@H]2CCCO2 527a_100000755817_100000686382 [0,0,0,2,0,0|2,0,0]=4 19284 B13R2.443 CC(OCC1CC1)C2CCCC2 34a_100011216366_100000742324 [0,0,0,2,0,0|1,0,1]=4 19285 B13R2.443 CC(OCC1CC1)C2CCCC2 7a_100011216366_100000742324 [0,0,0,2,0,0|1,0,1]=4 19286 B13R2.443 O=C(C=CC1CC1)C2CCCC2 1458a_100102529529_100000179811 [0,0,0,2,0,0|1,0,1]=4 19287 B13R2.443 O=C(CCC1CC1)C2=CCCC2 1458a_100000038896_100000694398 [0,0,0,2,0,0|1,0,1]=4 19288 B13R2.443 O=C(CCC1CC1)C2CCCC2 1458a_100000210718_100000694398 [0,0,0,2,0,0|1,0,0]=3 19289 B13R2.443 O=C(CCC1CC1)C2CCCC2 1458a_100000756386_100000179811 [0,0,0,2,0,0|1,0,0]=3 19290 B13R2.443 O=C(CCC1CC1)C2CCCS2 1458a_100012002731_100000694398 [0,0,0,2,0,0|2,0,0]=4 19291 B13R2.443 O=C(CCC1CC1)C2CCOC2 1458a_100000756386_100000690089 [0,0,0,2,0,0|2,0,0]=4 19292 B13R2.443 O=C(CCC1CC1)C2CCOC2 1458a_100011219752_100000694398 [0,0,0,2,0,0|2,0,0]=4 19293 B13R2.443 O=C(CCC1CC1)N2CCCC2 240690a_100000188435_100000756386 [0,0,0,2,0,0|1,0,0]=3 19294 B13R2.443 O=C(CCC1CC1)N2CCCC2 527a_100000188435_100000756386 [0,0,0,2,0,0|1,0,0]=3 19295 B13R2.443 O=C(CCC1CC1)N2CCSC2 11a_100011215254_100000756386 [0,0,0,2,0,0|2,0,0]=4 19296 B13R2.443 O=C(CCC1CC1)N2CCSC2 240690a_100011215254_100000756386 [0,0,0,2,0,0|2,0,0]=4 19297 B13R2.443 O=C(CCC1CC1)N2CCSC2 527a_100011215254_100000756386 [0,0,0,2,0,0|2,0,0]=4 19298 B13R2.443 O=C(CCC1CC1)[C@@H]2CCCO2 1458a_100000686382_100000694398 [0,0,0,2,0,0|2,0,0]=4 19299 B13R2.443 O=C(CCC1CO1)C2CCCC2 1458a_100000210718_100000732470 [0,0,0,2,0,0|2,0,0]=4 19300 B13R2.443 O=C(CNC1CC1)N2CCCC2 34a_100000212008_100000183516 [0,0,0,2,0,0|2,0,0]=4 19301 B13R2.443 O=C(CSC1CC1)N2CCCC2 62a_100000183516_100000211595 [0,0,0,2,0,0|2,0,0]=4 19302 B13R2.443 O=C(NCC1CC1)C2CCCC2 11a_100000735609_100000210718 [0,0,0,2,0,0|1,0,0]=3 19303 B13R2.443 O=C(NCC1CC1)C2CCCC2 1626a_100000735609_100000210718 [0,0,0,2,0,0|1,0,0]=3 19304 B13R2.443 O=C(NCC1CC1)C2CCCC2 240690a_100000735609_100000210718 [0,0,0,2,0,0|1,0,0]=3 19305 B13R2.443 O=C(NCC1CC1)C2CCCC2 527a_100000735609_100000210718 [0,0,0,2,0,0|1,0,0]=3 19306 B13R2.443 O=C(NCC1CC1)C2CCCS2 11a_100000735609_100012002731 [0,0,0,2,0,0|2,0,0]=4 19307 B13R2.443 O=C(NCC1CC1)C2CCCS2 1626a_100000735609_100012002731 [0,0,0,2,0,0|2,0,0]=4 19308 B13R2.443 O=C(NCC1CC1)C2CCCS2 240690a_100000735609_100012002731 [0,0,0,2,0,0|2,0,0]=4 19309 B13R2.443 O=C(NCC1CC1)C2CCCS2 527a_100000735609_100012002731 [0,0,0,2,0,0|2,0,0]=4 19310 B13R2.443 O=C(NCC1CC1)C2CCOC2 11a_100000735609_100011219752 [0,0,0,2,0,0|2,0,0]=4 19311 B13R2.443 O=C(NCC1CC1)C2CCOC2 1626a_100000735609_100011219752 [0,0,0,2,0,0|2,0,0]=4 19312 B13R2.443 O=C(NCC1CC1)C2CCOC2 240690a_100000735609_100011219752 [0,0,0,2,0,0|2,0,0]=4 19313 B13R2.443 O=C(NCC1CC1)C2CCOC2 527a_100000735609_100011219752 [0,0,0,2,0,0|2,0,0]=4 19314 B13R2.443 O=C(NCC1CC1)N2CCCC2 2708a_100000735609_100000188435 [0,0,0,2,0,0|2,0,0]=4 19315 B13R2.443 O=C(NCC1CC1)N2CCCC2 273464a_100000735609_100000188435 [0,0,0,2,0,0|2,0,0]=4 19316 B13R2.443 O=C(NCC1CC1)[C@@H]2CCCO2 11a_100000735609_100000686382 [0,0,0,2,0,0|2,0,0]=4 19317 B13R2.443 O=C(NCC1CC1)[C@@H]2CCCO2 1626a_100000735609_100000686382 [0,0,0,2,0,0|2,0,0]=4 19318 B13R2.443 O=C(NCC1CC1)[C@@H]2CCCO2 240690a_100000735609_100000686382 [0,0,0,2,0,0|2,0,0]=4 19319 B13R2.443 O=C(NCC1CC1)[C@@H]2CCCO2 527a_100000735609_100000686382 [0,0,0,2,0,0|2,0,0]=4 19320 B13R2.443 O=C(NNC1CC1)C2CCCC2 22a_100000701032_100000210718 [0,0,0,2,0,0|2,0,0]=4 19321 B13R2.445 CC(OC1CCC1)C2CCCC2 34a_100011216366_100000749161 [0,0,0,2,0,0|1,0,1]=4 19322 B13R2.445 O=C(C=C1CCC1)C2CCCC2 1458a_100000686340_100000179811 [0,0,0,2,0,0|1,0,1]=4 19323 B13R2.445 O=C(CC1CCC1)C2=CCCC2 1458a_100000038896_100000763275 [0,0,0,2,0,0|1,0,1]=4 19324 B13R2.445 O=C(CC1CCC1)C2CCCC2 1458a_100000210718_100000763275 [0,0,0,2,0,0|1,0,0]=3 19325 B13R2.445 O=C(CC1CCC1)C2CCCC2 1458a_100000763092_100000179811 [0,0,0,2,0,0|1,0,0]=3 19326 B13R2.445 O=C(CC1CCC1)C2CCCS2 1458a_100012002731_100000763275 [0,0,0,2,0,0|2,0,0]=4 19327 B13R2.445 O=C(CC1CCC1)C2CCOC2 1458a_100000763092_100000690089 [0,0,0,2,0,0|2,0,0]=4 19328 B13R2.445 O=C(CC1CCC1)C2CCOC2 1458a_100011219752_100000763275 [0,0,0,2,0,0|2,0,0]=4 19329 B13R2.445 O=C(CC1CCC1)N2CCCC2 240690a_100000188435_100000763092 [0,0,0,2,0,0|1,0,0]=3 19330 B13R2.445 O=C(CC1CCC1)N2CCCC2 527a_100000188435_100000763092 [0,0,0,2,0,0|1,0,0]=3 19331 B13R2.445 O=C(CC1CCC1)N2CCSC2 11a_100011215254_100000763092 [0,0,0,2,0,0|2,0,0]=4 19332 B13R2.445 O=C(CC1CCC1)N2CCSC2 240690a_100011215254_100000763092 [0,0,0,2,0,0|2,0,0]=4 19333 B13R2.445 O=C(CC1CCC1)N2CCSC2 527a_100011215254_100000763092 [0,0,0,2,0,0|2,0,0]=4 19334 B13R2.445 O=C(CC1CCC1)[C@@H]2CCCO2 1458a_100000686382_100000763275 [0,0,0,2,0,0|2,0,0]=4 19335 B13R2.445 O=C(CC1CCO1)C2CCCC2 1458a_100000210718_100000103362 [0,0,0,2,0,0|2,0,0]=4 19336 B13R2.445 O=C(CC1COC1)C2CCCC2 1458a_100000210718_100010264016 [0,0,0,2,0,0|2,0,0]=4 19337 B13R2.445 O=C(CC1COC1)C2CCCC2 1458a_100000687760_100000179811 [0,0,0,2,0,0|2,0,0]=4 19338 B13R2.445 O=C(CN1CCC1)N2CCCC2 269982a_100000754969_100000183516 [0,0,0,2,0,0|2,0,0]=4 19339 B13R2.445 O=C(NC1CCC1)C2CCCC2 11a_100000749019_100000210718 [0,0,0,2,0,0|1,0,0]=3 19340 B13R2.445 O=C(NC1CCC1)C2CCCC2 1626a_100000749019_100000210718 [0,0,0,2,0,0|1,0,0]=3 19341 B13R2.445 O=C(NC1CCC1)C2CCCC2 240690a_100000749019_100000210718 [0,0,0,2,0,0|1,0,0]=3 19342 B13R2.445 O=C(NC1CCC1)C2CCCC2 527a_100000749019_100000210718 [0,0,0,2,0,0|1,0,0]=3 19343 B13R2.445 O=C(NC1CCC1)C2CCCS2 11a_100000749019_100012002731 [0,0,0,2,0,0|2,0,0]=4 19344 B13R2.445 O=C(NC1CCC1)C2CCCS2 1626a_100000749019_100012002731 [0,0,0,2,0,0|2,0,0]=4 19345 B13R2.445 O=C(NC1CCC1)C2CCCS2 240690a_100000749019_100012002731 [0,0,0,2,0,0|2,0,0]=4 19346 B13R2.445 O=C(NC1CCC1)C2CCCS2 527a_100000749019_100012002731 [0,0,0,2,0,0|2,0,0]=4 19347 B13R2.445 O=C(NC1CCC1)C2CCOC2 11a_100000749019_100011219752 [0,0,0,2,0,0|2,0,0]=4 19348 B13R2.445 O=C(NC1CCC1)C2CCOC2 1626a_100000749019_100011219752 [0,0,0,2,0,0|2,0,0]=4 19349 B13R2.445 O=C(NC1CCC1)C2CCOC2 240690a_100000749019_100011219752 [0,0,0,2,0,0|2,0,0]=4 19350 B13R2.445 O=C(NC1CCC1)C2CCOC2 527a_100000749019_100011219752 [0,0,0,2,0,0|2,0,0]=4 19351 B13R2.445 O=C(NC1CCC1)N2CCCC2 273464a_100000749019_100000188435 [0,0,0,2,0,0|2,0,0]=4 19352 B13R2.445 O=C(NC1CCC1)[C@@H]2CCCO2 11a_100000749019_100000686382 [0,0,0,2,0,0|2,0,0]=4 19353 B13R2.445 O=C(NC1CCC1)[C@@H]2CCCO2 1626a_100000749019_100000686382 [0,0,0,2,0,0|2,0,0]=4 19354 B13R2.445 O=C(NC1CCC1)[C@@H]2CCCO2 240690a_100000749019_100000686382 [0,0,0,2,0,0|2,0,0]=4 19355 B13R2.445 O=C(NC1CCC1)[C@@H]2CCCO2 527a_100000749019_100000686382 [0,0,0,2,0,0|2,0,0]=4 19356 B13R2.445 O=C(NC1COC1)C2CCCC2 11a_100016991112_100000210718 [0,0,0,2,0,0|2,0,0]=4 19357 B13R2.445 O=C(NC1COC1)C2CCCC2 1626a_100016991112_100000210718 [0,0,0,2,0,0|2,0,0]=4 19358 B13R2.445 O=C(NC1COC1)C2CCCC2 240690a_100016991112_100000210718 [0,0,0,2,0,0|2,0,0]=4 19359 B13R2.445 O=C(NC1COC1)C2CCCC2 527a_100016991112_100000210718 [0,0,0,2,0,0|2,0,0]=4 19360 B13R2.445 O=C(NC1CSC1)C2CCCC2 11a_100016994217_100000210718 [0,0,0,2,0,0|2,0,0]=4 19361 B13R2.445 O=C(NC1CSC1)C2CCCC2 1626a_100016994217_100000210718 [0,0,0,2,0,0|2,0,0]=4 19362 B13R2.445 O=C(NC1CSC1)C2CCCC2 240690a_100016994217_100000210718 [0,0,0,2,0,0|2,0,0]=4 19363 B13R2.445 O=C(NC1CSC1)C2CCCC2 527a_100016994217_100000210718 [0,0,0,2,0,0|2,0,0]=4 19364 B13R2.549 CCC1CC1C(=O)C2CCCC2 1458a_200011661523_100000179811 [0,0,0,2,0,0|1,0,0]=3 19365 B13R2.549 CCC1CC1C(=O)C2CCOC2 1458a_200011661523_100000690089 [0,0,0,2,0,0|2,0,0]=4 19366 B13R2.549 CCC1CC1C(=O)N2CCCC2 240690a_100000188435_200011661523 [0,0,0,2,0,0|1,0,0]=3 19367 B13R2.549 CCC1CC1C(=O)N2CCCC2 527a_100000188435_200011661523 [0,0,0,2,0,0|1,0,0]=3 19368 B13R2.549 CCC1CC1C(=O)N2CCSC2 11a_100011215254_200011661523 [0,0,0,2,0,0|2,0,0]=4 19369 B13R2.549 CCC1CC1C(=O)N2CCSC2 240690a_100011215254_200011661523 [0,0,0,2,0,0|2,0,0]=4 19370 B13R2.549 CCC1CC1C(=O)N2CCSC2 527a_100011215254_200011661523 [0,0,0,2,0,0|2,0,0]=4 19371 B13R2.674 O=C(C1=CCCC1)C2CCCC2 1458a_100000038896_100000179811 [0,0,0,2,0,0|1,0,1]=4 19372 B13R2.674 O=C(C1CCCC1)C2CCCC2 1458a_100000210718_100000179811 [0,0,0,2,0,0|1,0,0]=3 19373 B13R2.674 O=C(C1CCCC1)C2CCCS2 1458a_100012002731_100000179811 [0,0,0,2,0,0|2,0,0]=4 19374 B13R2.674 O=C(C1CCCC1)C2CCOC2 1458a_100000210718_100000690089 [0,0,0,2,0,0|2,0,0]=4 19375 B13R2.674 O=C(C1CCCC1)C2CCOC2 1458a_100011219752_100000179811 [0,0,0,2,0,0|2,0,0]=4 19376 B13R2.674 O=C(C1CCCC1)N2CCCC2 240690a_100000188435_100000210718 [0,0,0,2,0,0|1,0,0]=3 19377 B13R2.674 O=C(C1CCCC1)N2CCCC2 527a_100000188435_100000210718 [0,0,0,2,0,0|1,0,0]=3 19378 B13R2.674 O=C(C1CCCC1)N2CCSC2 11a_100011215254_100000210718 [0,0,0,2,0,0|2,0,0]=4 19379 B13R2.674 O=C(C1CCCC1)N2CCSC2 240690a_100011215254_100000210718 [0,0,0,2,0,0|2,0,0]=4 19380 B13R2.674 O=C(C1CCCC1)N2CCSC2 527a_100011215254_100000210718 [0,0,0,2,0,0|2,0,0]=4 19381 B13R2.674 O=C(C1CCCC1)[C@@H]2CCCO2 1458a_100000686382_100000179811 [0,0,0,2,0,0|2,0,0]=4 19382 B13R2.674 O=C(C1CCCS1)N2CCCC2 240690a_100000188435_100012002731 [0,0,0,2,0,0|2,0,0]=4 19383 B13R2.674 O=C(C1CCCS1)N2CCCC2 527a_100000188435_100012002731 [0,0,0,2,0,0|2,0,0]=4 19384 B13R2.674 O=C(C1CCOC1)N2CCCC2 240690a_100000188435_100011219752 [0,0,0,2,0,0|2,0,0]=4 19385 B13R2.674 O=C(C1CCOC1)N2CCCC2 527a_100000188435_100011219752 [0,0,0,2,0,0|2,0,0]=4 19386 B13R2.674 O=C([C@@H]1CCCO1)N2CCCC2 240690a_100000188435_100000686382 [0,0,0,2,0,0|2,0,0]=4 19387 B13R2.674 O=C([C@@H]1CCCO1)N2CCCC2 527a_100000188435_100000686382 [0,0,0,2,0,0|2,0,0]=4 19388 B13R2.2452 CCCSC1C(=O)[C@H]2CC[C@@H]1C2 62a_100000210303_200015607011 [0,0,0,2,0,0|2,0,0]=4 19389 B13R2.2452 CCCSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_100000210303 [0,0,0,2,0,0|2,0,0]=4 19390 B13R2.1341 CCC1CC1C(=O)N2CCC2C 11a_100000755817_200011661523 [0,0,0,2,0,0|1,0,0]=3 19391 B13R2.1341 CCC1CC1C(=O)N2CCC2C 240690a_100000755817_200011661523 [0,0,0,2,0,0|1,0,0]=3 19392 B13R2.1341 CCC1CC1C(=O)N2CCC2C 527a_100000755817_200011661523 [0,0,0,2,0,0|1,0,0]=3 19393 B13R2.1401 CCC1CC1C(=O)N[C@@H]2C[C@@H]2F 240690a_100015190264_200011661523 [0,0,0,2,0,0|2,0,0]=4 19394 B13R2.1401 CCC1CC1C(=O)N[C@@H]2C[C@@H]2F 527a_100015190264_200011661523 [0,0,0,2,0,0|2,0,0]=4 19395 B13R2.1401 CCC1CC1C(=O)N[C@@H]2C[C@H]2F 11a_100025746932_200011661523 [0,0,0,2,0,0|2,0,0]=4 19396 B13R2.1401 CCC1CC1C(=O)N[C@@H]2C[C@H]2F 1626a_100025746932_200011661523 [0,0,0,2,0,0|2,0,0]=4 19397 B13R2.1401 CCC1CC1C(=O)N[C@@H]2C[C@H]2F 240690a_100025746932_200011661523 [0,0,0,2,0,0|2,0,0]=4 19398 B13R2.1401 CCC1CC1C(=O)N[C@@H]2C[C@H]2F 527a_100025746932_200011661523 [0,0,0,2,0,0|2,0,0]=4 19399 B13R2.1973 CCC1CC1C(=O)CCC2CC2 1458a_200011661523_100000694398 [0,0,0,2,0,0|1,0,0]=3 19400 B13R2.1973 CCC1CC1C(=O)CCC2CO2 1458a_200011661523_100000732470 [0,0,0,2,0,0|2,0,0]=4 19401 B13R2.1973 CCC1CC1C(=O)NCC2CC2 11a_100000735609_200011661523 [0,0,0,2,0,0|1,0,0]=3 19402 B13R2.1973 CCC1CC1C(=O)NCC2CC2 1626a_100000735609_200011661523 [0,0,0,2,0,0|1,0,0]=3 19403 B13R2.1973 CCC1CC1C(=O)NCC2CC2 240690a_100000735609_200011661523 [0,0,0,2,0,0|1,0,0]=3 19404 B13R2.1973 CCC1CC1C(=O)NCC2CC2 527a_100000735609_200011661523 [0,0,0,2,0,0|1,0,0]=3 19405 B13R2.1973 CCC1CC1C(=O)NNC2CC2 22a_100000701032_200011661523 [0,0,0,2,0,0|2,0,0]=4 19406 B13R2.6115 CCC1CC1C(=O)CC2CCC2 1458a_200011661523_100000763275 [0,0,0,2,0,0|1,0,0]=3 19407 B13R2.6115 CCC1CC1C(=O)CC2CCO2 1458a_200011661523_100000103362 [0,0,0,2,0,0|2,0,0]=4 19408 B13R2.6115 CCC1CC1C(=O)CC2COC2 1458a_200011661523_100010264016 [0,0,0,2,0,0|2,0,0]=4 19409 B13R2.6115 CCC1CC1C(=O)NC2CCC2 11a_100000749019_200011661523 [0,0,0,2,0,0|1,0,0]=3 19410 B13R2.6115 CCC1CC1C(=O)NC2CCC2 1626a_100000749019_200011661523 [0,0,0,2,0,0|1,0,0]=3 19411 B13R2.6115 CCC1CC1C(=O)NC2CCC2 240690a_100000749019_200011661523 [0,0,0,2,0,0|1,0,0]=3 19412 B13R2.6115 CCC1CC1C(=O)NC2CCC2 527a_100000749019_200011661523 [0,0,0,2,0,0|1,0,0]=3 19413 B13R2.6115 CCC1CC1C(=O)NC2COC2 11a_100016991112_200011661523 [0,0,0,2,0,0|2,0,0]=4 19414 B13R2.6115 CCC1CC1C(=O)NC2COC2 1626a_100016991112_200011661523 [0,0,0,2,0,0|2,0,0]=4 19415 B13R2.6115 CCC1CC1C(=O)NC2COC2 240690a_100016991112_200011661523 [0,0,0,2,0,0|2,0,0]=4 19416 B13R2.6115 CCC1CC1C(=O)NC2COC2 527a_100016991112_200011661523 [0,0,0,2,0,0|2,0,0]=4 19417 B13R2.6115 CCC1CC1C(=O)NC2CSC2 11a_100016994217_200011661523 [0,0,0,2,0,0|2,0,0]=4 19418 B13R2.6115 CCC1CC1C(=O)NC2CSC2 1626a_100016994217_200011661523 [0,0,0,2,0,0|2,0,0]=4 19419 B13R2.6115 CCC1CC1C(=O)NC2CSC2 240690a_100016994217_200011661523 [0,0,0,2,0,0|2,0,0]=4 19420 B13R2.6115 CCC1CC1C(=O)NC2CSC2 527a_100016994217_200011661523 [0,0,0,2,0,0|2,0,0]=4 19421 B13R2.3460 O=C(CCC1CC1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000756386 [0,0,0,2,0,0|2,0,0]=4 19422 B13R2.3460 O=C(CCC1CC1)N[C@@H]2C[C@@H]2F 527a_100015190264_100000756386 [0,0,0,2,0,0|2,0,0]=4 19423 B13R2.3460 O=C(CCC1CC1)N[C@@H]2C[C@H]2F 11a_100025746932_100000756386 [0,0,0,2,0,0|2,0,0]=4 19424 B13R2.3460 O=C(CCC1CC1)N[C@@H]2C[C@H]2F 1626a_100025746932_100000756386 [0,0,0,2,0,0|2,0,0]=4 19425 B13R2.3460 O=C(CCC1CC1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000756386 [0,0,0,2,0,0|2,0,0]=4 19426 B13R2.3460 O=C(CCC1CC1)N[C@@H]2C[C@H]2F 527a_100025746932_100000756386 [0,0,0,2,0,0|2,0,0]=4 19427 B13R2.10999 O=C(CC1CCC1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000763092 [0,0,0,2,0,0|2,0,0]=4 19428 B13R2.10999 O=C(CC1CCC1)N[C@@H]2C[C@@H]2F 527a_100015190264_100000763092 [0,0,0,2,0,0|2,0,0]=4 19429 B13R2.10999 O=C(CC1CCC1)N[C@@H]2C[C@H]2F 11a_100025746932_100000763092 [0,0,0,2,0,0|2,0,0]=4 19430 B13R2.10999 O=C(CC1CCC1)N[C@@H]2C[C@H]2F 1626a_100025746932_100000763092 [0,0,0,2,0,0|2,0,0]=4 19431 B13R2.10999 O=C(CC1CCC1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000763092 [0,0,0,2,0,0|2,0,0]=4 19432 B13R2.10999 O=C(CC1CCC1)N[C@@H]2C[C@H]2F 527a_100025746932_100000763092 [0,0,0,2,0,0|2,0,0]=4 19433 B13R2.6840 C1CCCC(CC1)OC2CCC2 34a_100000210887_100000749161 [0,0,0,2,0,0|1,0,1]=4 19434 B13R2.6840 C1CCCC(CC1)OC2CCC2 34a_100000748187_100011217769 [0,0,0,2,0,0|1,0,1]=4 19435 B13R2.13487 CC1CCN1C(=O)CC2CCC2 11a_100000755817_100000763092 [0,0,0,2,0,0|1,0,0]=3 19436 B13R2.13487 CC1CCN1C(=O)CC2CCC2 240690a_100000755817_100000763092 [0,0,0,2,0,0|1,0,0]=3 19437 B13R2.13487 CC1CCN1C(=O)CC2CCC2 527a_100000755817_100000763092 [0,0,0,2,0,0|1,0,0]=3 19438 B13R2.13487 CC1CCN1C(=O)CC2COC2 11a_100000755817_100000687760 [0,0,0,2,0,0|2,0,0]=4 19439 B13R2.13487 CC1CCN1C(=O)NC2CCC2 273464a_100000749019_100000755817 [0,0,0,2,0,0|2,0,0]=4 19440 B13R2.14221 O=C(C=C1CCC1)CCC2CC2 1458a_100000686340_100000694398 [0,0,0,2,0,0|1,0,1]=4 19441 B13R2.14221 O=C(C=CC1CC1)CC2CCC2 1458a_100102529529_100000763275 [0,0,0,2,0,0|1,0,1]=4 19442 B13R2.14221 O=C(CC1CCC1)NCC2CC2 11a_100000735609_100000763092 [0,0,0,2,0,0|1,0,0]=3 19443 B13R2.14221 O=C(CC1CCC1)NCC2CC2 1626a_100000735609_100000763092 [0,0,0,2,0,0|1,0,0]=3 19444 B13R2.14221 O=C(CC1CCC1)NCC2CC2 240690a_100000735609_100000763092 [0,0,0,2,0,0|1,0,0]=3 19445 B13R2.14221 O=C(CC1CCC1)NCC2CC2 527a_100000735609_100000763092 [0,0,0,2,0,0|1,0,0]=3 19446 B13R2.14221 O=C(CC1CCC1)NNC2CC2 22a_100000701032_100000763092 [0,0,0,2,0,0|2,0,0]=4 19447 B13R2.14221 O=C(CC1COC1)NCC2CC2 11a_100000735609_100000687760 [0,0,0,2,0,0|2,0,0]=4 19448 B13R2.14221 O=C(CC1COC1)NCC2CC2 1626a_100000735609_100000687760 [0,0,0,2,0,0|2,0,0]=4 19449 B13R2.14221 O=C(CCC1CC1)CC2CCC2 1458a_100000756386_100000763275 [0,0,0,2,0,0|1,0,0]=3 19450 B13R2.14221 O=C(CCC1CC1)CC2CCC2 1458a_100000763092_100000694398 [0,0,0,2,0,0|1,0,0]=3 19451 B13R2.14221 O=C(CCC1CC1)CC2CCO2 1458a_100000756386_100000103362 [0,0,0,2,0,0|2,0,0]=4 19452 B13R2.14221 O=C(CCC1CC1)CC2COC2 1458a_100000687760_100000694398 [0,0,0,2,0,0|2,0,0]=4 19453 B13R2.14221 O=C(CCC1CC1)CC2COC2 1458a_100000756386_100010264016 [0,0,0,2,0,0|2,0,0]=4 19454 B13R2.14221 O=C(CCC1CC1)NC2CCC2 11a_100000749019_100000756386 [0,0,0,2,0,0|1,0,0]=3 19455 B13R2.14221 O=C(CCC1CC1)NC2CCC2 1626a_100000749019_100000756386 [0,0,0,2,0,0|1,0,0]=3 19456 B13R2.14221 O=C(CCC1CC1)NC2CCC2 240690a_100000749019_100000756386 [0,0,0,2,0,0|1,0,0]=3 19457 B13R2.14221 O=C(CCC1CC1)NC2CCC2 527a_100000749019_100000756386 [0,0,0,2,0,0|1,0,0]=3 19458 B13R2.14221 O=C(CCC1CC1)NC2COC2 11a_100016991112_100000756386 [0,0,0,2,0,0|2,0,0]=4 19459 B13R2.14221 O=C(CCC1CC1)NC2COC2 1626a_100016991112_100000756386 [0,0,0,2,0,0|2,0,0]=4 19460 B13R2.14221 O=C(CCC1CC1)NC2COC2 240690a_100016991112_100000756386 [0,0,0,2,0,0|2,0,0]=4 19461 B13R2.14221 O=C(CCC1CC1)NC2COC2 527a_100016991112_100000756386 [0,0,0,2,0,0|2,0,0]=4 19462 B13R2.14221 O=C(CCC1CC1)NC2CSC2 11a_100016994217_100000756386 [0,0,0,2,0,0|2,0,0]=4 19463 B13R2.14221 O=C(CCC1CC1)NC2CSC2 1626a_100016994217_100000756386 [0,0,0,2,0,0|2,0,0]=4 19464 B13R2.14221 O=C(CCC1CC1)NC2CSC2 240690a_100016994217_100000756386 [0,0,0,2,0,0|2,0,0]=4 19465 B13R2.14221 O=C(CCC1CC1)NC2CSC2 527a_100016994217_100000756386 [0,0,0,2,0,0|2,0,0]=4 19466 B13R2.14221 O=C(CCC1CO1)CC2CCC2 1458a_100000763092_100000732470 [0,0,0,2,0,0|2,0,0]=4 19467 B13R2.14221 O=C(NCC1CC1)NC2CCC2 2708a_100000735609_100000749019 [0,0,0,2,0,0|2,0,0]=4 19468 B13R2.14221 O=C(NCC1CC1)NC2CCC2 273464a_100000735609_100000749019 [0,0,0,2,0,0|2,0,0]=4 19469 B13R2.14221 O=C(NCC1CC1)NC2CCC2 273464a_100000749019_100000735609 [0,0,0,2,0,0|2,0,0]=4 19470 B13R2.14221 O=C(NCC1CC1)NC2CCC2 512a_100000735609_100000749019 [0,0,0,2,0,0|2,0,0]=4 19471 B13R2.14221 O=C(NCC1CC1)NC2CCC2 512a_100000749019_100000735609 [0,0,0,2,0,0|2,0,0]=4 19472 B13R2.14237 O=C(C=C1CCC1)CC2CCC2 1458a_100000686340_100000763275 [0,0,0,2,0,0|1,0,1]=4 19473 B13R2.14237 O=C(CC1CCC1)CC2CCC2 1458a_100000763092_100000763275 [0,0,0,2,0,0|1,0,0]=3 19474 B13R2.14237 O=C(CC1CCC1)CC2CCO2 1458a_100000763092_100000103362 [0,0,0,2,0,0|2,0,0]=4 19475 B13R2.14237 O=C(CC1CCC1)CC2COC2 1458a_100000687760_100000763275 [0,0,0,2,0,0|2,0,0]=4 19476 B13R2.14237 O=C(CC1CCC1)CC2COC2 1458a_100000763092_100010264016 [0,0,0,2,0,0|2,0,0]=4 19477 B13R2.14237 O=C(CC1CCC1)NC2CCC2 11a_100000749019_100000763092 [0,0,0,2,0,0|1,0,0]=3 19478 B13R2.14237 O=C(CC1CCC1)NC2CCC2 1626a_100000749019_100000763092 [0,0,0,2,0,0|1,0,0]=3 19479 B13R2.14237 O=C(CC1CCC1)NC2CCC2 240690a_100000749019_100000763092 [0,0,0,2,0,0|1,0,0]=3 19480 B13R2.14237 O=C(CC1CCC1)NC2CCC2 527a_100000749019_100000763092 [0,0,0,2,0,0|1,0,0]=3 19481 B13R2.14237 O=C(CC1CCC1)NC2COC2 11a_100016991112_100000763092 [0,0,0,2,0,0|2,0,0]=4 19482 B13R2.14237 O=C(CC1CCC1)NC2COC2 1626a_100016991112_100000763092 [0,0,0,2,0,0|2,0,0]=4 19483 B13R2.14237 O=C(CC1CCC1)NC2COC2 240690a_100016991112_100000763092 [0,0,0,2,0,0|2,0,0]=4 19484 B13R2.14237 O=C(CC1CCC1)NC2COC2 527a_100016991112_100000763092 [0,0,0,2,0,0|2,0,0]=4 19485 B13R2.14237 O=C(CC1CCC1)NC2CSC2 11a_100016994217_100000763092 [0,0,0,2,0,0|2,0,0]=4 19486 B13R2.14237 O=C(CC1CCC1)NC2CSC2 1626a_100016994217_100000763092 [0,0,0,2,0,0|2,0,0]=4 19487 B13R2.14237 O=C(CC1CCC1)NC2CSC2 240690a_100016994217_100000763092 [0,0,0,2,0,0|2,0,0]=4 19488 B13R2.14237 O=C(CC1CCC1)NC2CSC2 527a_100016994217_100000763092 [0,0,0,2,0,0|2,0,0]=4 19489 B13R2.14237 O=C(CC1COC1)NC2CCC2 11a_100000749019_100000687760 [0,0,0,2,0,0|2,0,0]=4 19490 B13R2.14237 O=C(CC1COC1)NC2CCC2 1626a_100000749019_100000687760 [0,0,0,2,0,0|2,0,0]=4 19491 B13R2.14237 O=C(NC1CCC1)NC2CCC2 273464a_100000749019_100000749019 [0,0,0,2,0,0|2,0,0]=4 19492 B13R2.14237 O=C(NC1CCC1)NC2CCC2 512a_100000749019_100000749019 [0,0,0,2,0,0|2,0,0]=4 19493 B13R2.21868 CC1(CCCCC1)OC2CCC2 34a_100011215885_100000749161 [0,0,0,2,0,0|1,0,1]=4 19494 B13R2.4896 CC1CCN1C(=O)CCC2CC2 11a_100000755817_100000756386 [0,0,0,2,0,0|1,0,0]=3 19495 B13R2.4896 CC1CCN1C(=O)CCC2CC2 240690a_100000755817_100000756386 [0,0,0,2,0,0|1,0,0]=3 19496 B13R2.4896 CC1CCN1C(=O)CCC2CC2 527a_100000755817_100000756386 [0,0,0,2,0,0|1,0,0]=3 19497 B13R2.4896 CC1CCN1C(=O)NCC2CC2 2708a_100000735609_100000755817 [0,0,0,2,0,0|2,0,0]=4 19498 B13R2.4896 CC1CCN1C(=O)NCC2CC2 273464a_100000735609_100000755817 [0,0,0,2,0,0|2,0,0]=4 19499 B13R2.6841 C1CCCC(CC1)OCC2CC2 34a_100000210887_100000742324 [0,0,0,2,0,0|1,0,1]=4 19500 B13R2.6841 C1CCCC(CC1)OCC2CC2 34a_100000211283_100011217769 [0,0,0,2,0,0|1,0,1]=4 19501 B13R2.6841 C1CCCC(CC1)OCC2CC2 7a_100000210887_100000742324 [0,0,0,2,0,0|1,0,1]=4 19502 B13R2.11529 CC1(CCCCC1)OCC2CC2 34a_100011215885_100000742324 [0,0,0,2,0,0|1,0,1]=4 19503 B13R2.11529 CC1(CCCCC1)OCC2CC2 7a_100011215885_100000742324 [0,0,0,2,0,0|1,0,1]=4 19504 B13R2.14247 O=C(C=CC1CC1)CCC2CC2 1458a_100102529529_100000694398 [0,0,0,2,0,0|1,0,1]=4 19505 B13R2.14247 O=C(CCC1CC1)CCC2CC2 1458a_100000756386_100000694398 [0,0,0,2,0,0|1,0,0]=3 19506 B13R2.14247 O=C(CCC1CC1)CCC2CO2 1458a_100000756386_100000732470 [0,0,0,2,0,0|2,0,0]=4 19507 B13R2.14247 O=C(CCC1CC1)NCC2CC2 11a_100000735609_100000756386 [0,0,0,2,0,0|1,0,0]=3 19508 B13R2.14247 O=C(CCC1CC1)NCC2CC2 1626a_100000735609_100000756386 [0,0,0,2,0,0|1,0,0]=3 19509 B13R2.14247 O=C(CCC1CC1)NCC2CC2 240690a_100000735609_100000756386 [0,0,0,2,0,0|1,0,0]=3 19510 B13R2.14247 O=C(CCC1CC1)NCC2CC2 527a_100000735609_100000756386 [0,0,0,2,0,0|1,0,0]=3 19511 B13R2.14247 O=C(CCC1CC1)NNC2CC2 22a_100000701032_100000756386 [0,0,0,2,0,0|2,0,0]=4 19512 B13R2.14247 O=C(NCC1CC1)NCC2CC2 2708a_100000735609_100000735609 [0,0,0,2,0,0|2,0,0]=4 19513 B13R2.14247 O=C(NCC1CC1)NCC2CC2 273464a_100000735609_100000735609 [0,0,0,2,0,0|2,0,0]=4 19514 B13R2.14247 O=C(NCC1CC1)NCC2CC2 512a_100000735609_100000735609 [0,0,0,2,0,0|2,0,0]=4