0 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100011215632_100015370543 [0,0,0,0,0,0|1,0,3]=4 1 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100016288707_200011218191 [0,0,0,0,0,0|1,0,3]=4 2 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100011215632_100015370543 [0,0,0,0,0,0|1,0,3]=4 3 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100016288707_200011218191 [0,0,0,0,0,0|1,0,3]=4 4 B13R0.338 CC/C=C\COCC(=O)CCCCC 34a_100016268518_200012276598 [0,0,0,0,0,0|2,0,2]=4 5 B13R0.338 CC/C=C\COCC(=O)NCCCC 34a_100016268518_100000182744 [0,0,0,0,0,0|3,0,1]=4 6 B13R0.338 CC/C=C\COCC(=O)OCCCC 34a_100016268518_100000211628 [0,0,0,0,0,0|3,0,1]=4 7 B13R0.338 CC/C=C\CSCC(=O)CCCCC 62a_100103147603_200012276598 [0,0,0,0,0,0|2,0,2]=4 8 B13R0.338 CC/C=C\CSCC(=O)CCCCC 62a_200012276598_100103147603 [0,0,0,0,0,0|2,0,2]=4 9 B13R0.338 CC/C=C\CSCC(=O)NCCCC 62a_100000182744_100103147603 [0,0,0,0,0,0|3,0,1]=4 10 B13R0.338 CC/C=C\CSCC(=O)NCCCC 62a_100103147603_100000182744 [0,0,0,0,0,0|3,0,1]=4 11 B13R0.338 CC/C=C\CSCC(=O)OCCCC 62a_100000211628_100103147603 [0,0,0,0,0,0|3,0,1]=4 12 B13R0.338 CC/C=C\CSCC(=O)OCCCC 62a_100103147603_100000211628 [0,0,0,0,0,0|3,0,1]=4 13 B13R0.338 CCCC=CC(=O)CCCCCCC 1458a_100000212230_100000210614 [0,0,0,0,0,0|1,0,2]=3 14 B13R0.338 CCCC=CC(=O)CCCCCCF 1458a_100000212230_100015922095 [0,0,0,0,0,0|2,0,2]=4 15 B13R0.338 CCCC=CC(=O)CCCCCCO 1458a_100000212230_100000766143 [0,0,0,0,0,0|2,0,2]=4 16 B13R0.338 CCCC=CC(=O)CCOCCCC 1458a_100000212230_100000743108 [0,0,0,0,0,0|2,0,2]=4 17 B13R0.338 CCCC=CC(=O)NCCCCCC 11a_100000210581_100000212230 [0,0,0,0,0,0|1,0,2]=3 18 B13R0.338 CCCC=CC(=O)NCCCCCC 1626a_100000210581_100000212230 [0,0,0,0,0,0|1,0,2]=3 19 B13R0.338 CCCC=CC(=O)NCCCCCC 240690a_100000210581_100000212230 [0,0,0,0,0,0|1,0,2]=3 20 B13R0.338 CCCC=CC(=O)NCCCCCO 240690a_100000762737_100000212230 [0,0,0,0,0,0|2,0,2]=4 21 B13R0.338 CCCC=CC(=O)NCCCOCC 11a_100000210961_100000212230 [0,0,0,0,0,0|2,0,1]=3 22 B13R0.338 CCCC=CC(=O)NCCCOCC 1626a_100000210961_100000212230 [0,0,0,0,0,0|2,0,1]=3 23 B13R0.338 CCCC=CC(=O)NCCCOCC 240690a_100000210961_100000212230 [0,0,0,0,0,0|2,0,1]=3 24 B13R0.338 CCCC=CC(=O)NCCOCCC 1626a_100161115042_100000212230 [0,0,0,0,0,0|2,0,1]=3 25 B13R0.338 CCCC=CC(=O)NCCOCCC 240690a_100161115042_100000212230 [0,0,0,0,0,0|2,0,1]=3 26 B13R0.338 CCCC=CC(=O)NCCOCCO 240690a_100000211614_100000212230 [0,0,0,0,0,0|3,0,1]=4 27 B13R0.338 CCCC=CC(=O)NCCSCCC 11a_100020603323_100000212230 [0,0,0,0,0,0|2,0,1]=3 28 B13R0.338 CCCC=CC(=O)NCCSCCC 240690a_100020603323_100000212230 [0,0,0,0,0,0|2,0,1]=3 29 B13R0.338 CCCC=CC(=O)NCCSCCO 240690a_100011219999_100000212230 [0,0,0,0,0,0|3,0,1]=4 30 B13R0.338 CCCC=CC(=O)NNCCCCC 22a_100000694160_100000212230 [0,0,0,0,0,0|2,0,2]=4 31 B13R0.338 CCCC=CC(=O)NNCCOCC 22a_100000732670_100000212230 [0,0,0,0,0,0|3,0,1]=4 32 B13R0.338 CCCCCCCC(=O)C=CCOC 1458a_100016285016_100000210614 [0,0,0,0,0,0|2,0,2]=4 33 B13R0.338 CCCCCCCC(=O)C=COCC 1458a_100016266692_100000210614 [0,0,0,0,0,0|2,0,2]=4 34 B13R0.338 CCCCCCNC(=O)C=CCOC 11a_100000210581_100016285016 [0,0,0,0,0,0|2,0,2]=4 35 B13R0.338 CCCCCCNC(=O)C=CCOC 1626a_100000210581_100016285016 [0,0,0,0,0,0|2,0,2]=4 36 B13R0.338 CCCCCCNC(=O)C=CCOC 240690a_100000210581_100016285016 [0,0,0,0,0,0|2,0,2]=4 37 B13R0.338 CCCCCCNC(=O)C=COCC 11a_100000210581_100016266692 [0,0,0,0,0,0|2,0,2]=4 38 B13R0.338 CCCCCCNC(=O)C=COCC 1626a_100000210581_100016266692 [0,0,0,0,0,0|2,0,2]=4 39 B13R0.338 CCCCCCNC(=O)C=COCC 240690a_100000210581_100016266692 [0,0,0,0,0,0|2,0,2]=4 40 B13R0.338 CCCOCCNC(=O)C=CCOC 1626a_100161115042_100016285016 [0,0,0,0,0,0|3,0,1]=4 41 B13R0.338 CCCOCCNC(=O)C=CCOC 240690a_100161115042_100016285016 [0,0,0,0,0,0|3,0,1]=4 42 B13R0.338 CCCOCCNC(=O)C=COCC 1626a_100161115042_100016266692 [0,0,0,0,0,0|3,0,1]=4 43 B13R0.338 CCCOCCNC(=O)C=COCC 240690a_100161115042_100016266692 [0,0,0,0,0,0|3,0,1]=4 44 B13R0.338 CCCSCCNC(=O)C=CCOC 11a_100020603323_100016285016 [0,0,0,0,0,0|3,0,1]=4 45 B13R0.338 CCCSCCNC(=O)C=CCOC 240690a_100020603323_100016285016 [0,0,0,0,0,0|3,0,1]=4 46 B13R0.338 CCCSCCNC(=O)C=COCC 11a_100020603323_100016266692 [0,0,0,0,0,0|3,0,1]=4 47 B13R0.338 CCCSCCNC(=O)C=COCC 240690a_100020603323_100016266692 [0,0,0,0,0,0|3,0,1]=4 48 B13R0.338 CCOC=CC(=O)NCCCOCC 11a_100000210961_100016266692 [0,0,0,0,0,0|3,0,1]=4 49 B13R0.338 CCOC=CC(=O)NCCCOCC 1626a_100000210961_100016266692 [0,0,0,0,0,0|3,0,1]=4 50 B13R0.338 CCOC=CC(=O)NCCCOCC 240690a_100000210961_100016266692 [0,0,0,0,0,0|3,0,1]=4 51 B13R0.338 CCOCCCNC(=O)C=CCOC 11a_100000210961_100016285016 [0,0,0,0,0,0|3,0,1]=4 52 B13R0.338 CCOCCCNC(=O)C=CCOC 1626a_100000210961_100016285016 [0,0,0,0,0,0|3,0,1]=4 53 B13R0.338 CCOCCCNC(=O)C=CCOC 240690a_100000210961_100016285016 [0,0,0,0,0,0|3,0,1]=4 54 B12R0.5 C/C=C/C=C/COCC/C=C\CC 34a_100016283227_100015370543 [1,0,0,0,0,0|0,0,3]=4 55 B12R0.5 CC/C=C/CC/C=C/COCCC 34a_100016264143_100000210303 [1,0,0,0,0,0|2,0,1]=4 56 B12R0.5 CC/C=C/CC/C=C/COCCC 7a_100016264143_100000210303 [1,0,0,0,0,0|2,0,1]=4 57 B12R0.5 CC/C=C/CCC=CC=NNCC 4a_100000756455_100016288392 [1,0,0,0,0,0|3,0,0]=4 58 B12R0.5 CC/C=C\CCOC/C=C/CCC 34a_100016278788_100015370543 [1,0,0,0,0,0|0,0,1]=2 59 B12R0.5 CC/C=C\CCOC/C=C/CCC 7a_100016278788_100015370543 [1,0,0,0,0,0|0,0,1]=2 60 B12R0.5 CC/C=C\CCOCC#CCCC 34a_100000034806_100015370543 [1,0,0,0,0,0|0,0,3]=4 61 B12R0.5 CC/C=C\CCOCC#CCCC 7a_100000034806_100015370543 [1,0,0,0,0,0|0,0,3]=4 62 B12R0.5 CC/C=C\CCOCC/C=C\CC 34a_100016288707_100015370543 [1,0,0,0,0,0|0,0,3]=4 63 B12R0.5 CC/C=C\CCOCC/C=C\CC 7a_100016288707_100015370543 [1,0,0,0,0,0|0,0,3]=4 64 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [1,0,0,0,0,0|0,0,3]=4 65 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [1,0,0,0,0,0|0,0,3]=4 66 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [1,0,0,0,0,0|0,0,3]=4 67 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [1,0,0,0,0,0|0,0,3]=4 68 B12R0.5 CC/C=C\CCOCCOCCC 34a_100000752267_100015370543 [1,0,0,0,0,0|1,0,2]=4 69 B12R0.5 CC/C=C\CCOCCOCCC 34a_100016288707_100011215938 [1,0,0,0,0,0|1,0,2]=4 70 B12R0.5 CC/C=C\CCOCCOCCC 7a_100000752267_100015370543 [1,0,0,0,0,0|1,0,2]=4 71 B12R0.5 CC/C=C\CCOCCOCCC 7a_100016288707_100011215938 [1,0,0,0,0,0|1,0,2]=4 72 B12R0.5 CC/C=C\CCOCCSCCC 34a_200000230433_100015370543 [1,0,0,0,0,0|1,0,2]=4 73 B12R0.5 CC/C=C\CCOCCSCCC 7a_200000230433_100015370543 [1,0,0,0,0,0|1,0,2]=4 74 B12R0.5 CC/C=C\CCOCOCCCC 34a_100016288707_100011995733 [1,0,0,0,0,0|1,0,2]=4 75 B12R0.5 CC/C=C\COC/C=C/CCCC 34a_200016272032_100103147603 [1,0,0,0,0,0|2,0,1]=4 76 B12R0.5 CC/C=C\COC/C=C/CCCC 7a_200016272032_100103147603 [1,0,0,0,0,0|2,0,1]=4 77 B12R0.5 CCC/C=C/COCCCCCC 34a_100016278788_100000210314 [1,0,0,0,0,0|0,0,3]=4 78 B12R0.5 CCC/C=C/COCCCCCC 7a_100016278788_100000210314 [1,0,0,0,0,0|0,0,3]=4 79 B12R0.5 CCC/C=C/COCCCOCC 34a_100016278788_100012232248 [1,0,0,0,0,0|1,0,2]=4 80 B12R0.5 CCC/C=C/COCCCOCC 7a_100016278788_100012232248 [1,0,0,0,0,0|1,0,2]=4 81 B12R0.5 CCC/C=C/COCCOCCC 34a_100016278788_100011215938 [1,0,0,0,0,0|1,0,2]=4 82 B12R0.5 CCC/C=C/COCCOCCC 7a_100016278788_100011215938 [1,0,0,0,0,0|1,0,2]=4 83 B12R0.47 C/C=C/C=CC(=O)CC/C=C\CC 1458a_100000185730_100015370543 [1,0,0,0,0,0|0,0,2]=3 84 B12R0.47 C=CCCCCC(=O)C=CCCC 1458a_100000212230_100011215482 [1,0,0,0,0,0|1,0,2]=4 85 B12R0.47 C=CCCCNC(=O)C=CCCC 11a_100000700776_100000212230 [1,0,0,0,0,0|1,0,2]=4 86 B12R0.47 C=CCCCNC(=O)C=CCCC 1626a_100000700776_100000212230 [1,0,0,0,0,0|1,0,2]=4 87 B12R0.47 C=CCCCNC(=O)C=CCCC 240690a_100000700776_100000212230 [1,0,0,0,0,0|1,0,2]=4 88 B12R0.47 CC/C=C\CCC(=O)C#CCCC 1458a_200011218047_100015370543 [1,0,0,0,0,0|0,0,2]=3 89 B12R0.47 CC/C=C\CCC(=O)C/C=C/CC 1458a_100016274230_100015370543 [1,0,0,0,0,0|0,0,2]=3 90 B12R0.47 CC/C=C\CCC(=O)C=CCCC 1458a_100000212230_100015370543 [1,0,0,0,0,0|0,0,0]=1 91 B12R0.47 CC/C=C\CCC(=O)C=CCOC 1458a_100016285016_100015370543 [1,0,0,0,0,0|1,0,0]=2 92 B12R0.47 CC/C=C\CCC(=O)C=COCC 1458a_100016266692_100015370543 [1,0,0,0,0,0|1,0,0]=2 93 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [1,0,0,0,0,0|0,0,2]=3 94 B12R0.47 CC/C=C\CCC(=O)CCCCO 1458a_100000695505_100015370543 [1,0,0,0,0,0|1,0,2]=4 95 B12R0.47 CC/C=C\CCC(=O)CCCOC 1458a_100000741012_100015370543 [1,0,0,0,0,0|1,0,2]=4 96 B12R0.47 CC/C=C\CCC(=O)CCCSC 1458a_100000173376_100015370543 [1,0,0,0,0,0|1,0,2]=4 97 B12R0.47 CC/C=C\CCC(=O)CCOCC 1458a_100000749530_100015370543 [1,0,0,0,0,0|1,0,2]=4 98 B12R0.47 CC/C=C\CCC(=O)CCSCC 1458a_100000230768_100015370543 [1,0,0,0,0,0|1,0,2]=4 99 B12R0.47 CC/C=C\CCC(=O)COCCC 1458a_100000745993_100015370543 [1,0,0,0,0,0|1,0,1]=3 100 B12R0.47 CC/C=C\CCC(=O)COCCO 1458a_100000708028_100015370543 [1,0,0,0,0,0|2,0,1]=4 101 B12R0.47 CC/C=C\CCC(=O)CSCCC 1458a_100000217233_100015370543 [1,0,0,0,0,0|1,0,1]=3 102 B12R0.47 CCCC=CC(=O)CCCCCC 1458a_100000212230_100000210757 [1,0,0,0,0,0|0,0,2]=3 103 B12R0.47 CCCC=CC(=O)CCCCCF 1458a_100000212230_100000729378 [1,0,0,0,0,0|1,0,2]=4 104 B12R0.47 CCCC=CC(=O)CCCCCO 1458a_100000212230_100000746330 [1,0,0,0,0,0|1,0,2]=4 105 B12R0.47 CCCC=CC(=O)CCCCOC 1458a_100000212230_100000755781 [1,0,0,0,0,0|1,0,2]=4 106 B12R0.47 CCCC=CC(=O)CCCOCC 1458a_100000212230_100012232248 [1,0,0,0,0,0|1,0,1]=3 107 B12R0.47 CCCC=CC(=O)CCOCCC 1458a_100000212230_100011215938 [1,0,0,0,0,0|1,0,1]=3 108 B12R0.47 CCCC=CC(=O)CCOCCO 1458a_100000212230_100011215305 [1,0,0,0,0,0|2,0,1]=4 109 B12R0.47 CCCC=CC(=O)COCCCC 1458a_100000212230_100011995733 [1,0,0,0,0,0|1,0,2]=4 110 B12R0.47 CCCC=CC(=O)NCCCCC 11a_100000209983_100000212230 [1,0,0,0,0,0|1,0,1]=3 111 B12R0.47 CCCC=CC(=O)NCCCCC 1626a_100000209983_100000212230 [1,0,0,0,0,0|1,0,1]=3 112 B12R0.47 CCCC=CC(=O)NCCCCC 240690a_100000209983_100000212230 [1,0,0,0,0,0|1,0,1]=3 113 B12R0.47 CCCC=CC(=O)NCCCCO 240690a_100000750430_100000212230 [1,0,0,0,0,0|2,0,1]=4 114 B12R0.47 CCCC=CC(=O)NCCCOC 1626a_100150723488_100000212230 [1,0,0,0,0,0|2,0,1]=4 115 B12R0.47 CCCC=CC(=O)NCCCOC 240690a_100150723488_100000212230 [1,0,0,0,0,0|2,0,1]=4 116 B12R0.47 CCCC=CC(=O)NCCCSC 11a_100000749238_100000212230 [1,0,0,0,0,0|2,0,1]=4 117 B12R0.47 CCCC=CC(=O)NCCCSC 1626a_100000749238_100000212230 [1,0,0,0,0,0|2,0,1]=4 118 B12R0.47 CCCC=CC(=O)NCCCSC 240690a_100000749238_100000212230 [1,0,0,0,0,0|2,0,1]=4 119 B12R0.47 CCCC=CC(=O)NCCOCC 11a_100011200944_100000212230 [1,0,0,0,0,0|2,0,0]=3 120 B12R0.47 CCCC=CC(=O)NCCOCC 1626a_102516460346_100000212230 [1,0,0,0,0,0|2,0,0]=3 121 B12R0.47 CCCC=CC(=O)NCCOCC 240690a_100011200944_100000212230 [1,0,0,0,0,0|2,0,0]=3 122 B12R0.47 CCCC=CC(=O)NCCSCC 11a_100000106463_100000212230 [1,0,0,0,0,0|2,0,0]=3 123 B12R0.47 CCCC=CC(=O)NCCSCC 1626a_100000106463_100000212230 [1,0,0,0,0,0|2,0,0]=3 124 B12R0.47 CCCC=CC(=O)NCCSCC 240690a_100000106463_100000212230 [1,0,0,0,0,0|2,0,0]=3 125 B12R0.47 CCCC=CC(=O)NNCCCC 22a_100025702795_100000212230 [1,0,0,0,0,0|2,0,1]=4 126 B12R0.47 CCCCCCC(=O)C=CCOC 1458a_100016285016_100000210757 [1,0,0,0,0,0|1,0,2]=4 127 B12R0.47 CCCCCCC(=O)C=COCC 1458a_100016266692_100000210757 [1,0,0,0,0,0|1,0,2]=4 128 B12R0.47 CCCCCNC(=O)C=CCOC 11a_100000209983_100016285016 [1,0,0,0,0,0|2,0,1]=4 129 B12R0.47 CCCCCNC(=O)C=CCOC 1626a_100000209983_100016285016 [1,0,0,0,0,0|2,0,1]=4 130 B12R0.47 CCCCCNC(=O)C=CCOC 240690a_100000209983_100016285016 [1,0,0,0,0,0|2,0,1]=4 131 B12R0.47 CCCCCNC(=O)C=COCC 11a_100000209983_100016266692 [1,0,0,0,0,0|2,0,1]=4 132 B12R0.47 CCCCCNC(=O)C=COCC 1626a_100000209983_100016266692 [1,0,0,0,0,0|2,0,1]=4 133 B12R0.47 CCCCCNC(=O)C=COCC 240690a_100000209983_100016266692 [1,0,0,0,0,0|2,0,1]=4 134 B12R0.47 CCCOCC(=O)OCCOCC 34a_100000210258_200000101388 [1,0,0,0,0,0|2,0,1]=4 135 B12R0.47 CCCOCCC(=O)C=CCOC 1458a_100016285016_100011215938 [1,0,0,0,0,0|2,0,1]=4 136 B12R0.47 CCCOCCC(=O)C=COCC 1458a_100016266692_100011215938 [1,0,0,0,0,0|2,0,1]=4 137 B12R0.47 CCCSCC(=O)OCCOCC 62a_100000210303_200000101388 [1,0,0,0,0,0|2,0,1]=4 138 B12R0.47 CCCSCC(=O)OCCOCC 62a_200000101388_100000210303 [1,0,0,0,0,0|2,0,1]=4 139 B12R0.47 CCOC=CC(=O)CCCOCC 1458a_100016266692_100012232248 [1,0,0,0,0,0|2,0,1]=4 140 B12R0.47 CCOC=CC(=O)NCCOCC 11a_100011200944_100016266692 [1,0,0,0,0,0|3,0,0]=4 141 B12R0.47 CCOC=CC(=O)NCCOCC 1626a_102516460346_100016266692 [1,0,0,0,0,0|3,0,0]=4 142 B12R0.47 CCOC=CC(=O)NCCOCC 240690a_100011200944_100016266692 [1,0,0,0,0,0|3,0,0]=4 143 B12R0.47 CCOC=CC(=O)NCCSCC 11a_100000106463_100016266692 [1,0,0,0,0,0|3,0,0]=4 144 B12R0.47 CCOC=CC(=O)NCCSCC 1626a_100000106463_100016266692 [1,0,0,0,0,0|3,0,0]=4 145 B12R0.47 CCOC=CC(=O)NCCSCC 240690a_100000106463_100016266692 [1,0,0,0,0,0|3,0,0]=4 146 B12R0.47 CCOCCCC(=O)C=CCOC 1458a_100016285016_100012232248 [1,0,0,0,0,0|2,0,1]=4 147 B12R0.47 CCOCCNC(=O)C=CCOC 11a_100011200944_100016285016 [1,0,0,0,0,0|3,0,0]=4 148 B12R0.47 CCOCCNC(=O)C=CCOC 1626a_102516460346_100016285016 [1,0,0,0,0,0|3,0,0]=4 149 B12R0.47 CCOCCNC(=O)C=CCOC 240690a_100011200944_100016285016 [1,0,0,0,0,0|3,0,0]=4 150 B12R0.47 CCSCCNC(=O)C=CCOC 11a_100000106463_100016285016 [1,0,0,0,0,0|3,0,0]=4 151 B12R0.47 CCSCCNC(=O)C=CCOC 1626a_100000106463_100016285016 [1,0,0,0,0,0|3,0,0]=4 152 B12R0.47 CCSCCNC(=O)C=CCOC 240690a_100000106463_100016285016 [1,0,0,0,0,0|3,0,0]=4 153 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100000687866_100015370543 [1,0,0,0,0,0|1,0,2]=4 154 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100016288707_200011215066 [1,0,0,0,0,0|1,0,2]=4 155 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100000687866_100015370543 [1,0,0,0,0,0|1,0,2]=4 156 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100016288707_200011215066 [1,0,0,0,0,0|1,0,2]=4 157 B12R0.206 CC/C=C\CNCC(=O)NCCC 2230a_100000174927_100103147603 [1,0,0,0,0,0|3,0,0]=4 158 B12R0.206 CC/C=C\COCC(=O)NCCC 34a_100016268518_100000183358 [1,0,0,0,0,0|3,0,0]=4 159 B12R0.206 CC/C=C\COCC(=O)OCCC 34a_100016268518_200011215008 [1,0,0,0,0,0|3,0,0]=4 160 B12R0.206 CC/C=C\CSCC(=O)NCCC 62a_100000183358_100103147603 [1,0,0,0,0,0|3,0,0]=4 161 B12R0.206 CC/C=C\CSCC(=O)NCCC 62a_100103147603_100000183358 [1,0,0,0,0,0|3,0,0]=4 162 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_100103147603_200011215008 [1,0,0,0,0,0|3,0,0]=4 163 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_200011215008_100103147603 [1,0,0,0,0,0|3,0,0]=4 164 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [1,0,0,0,0,0|1,0,2]=4 165 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [1,0,0,0,0,0|1,0,2]=4 166 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [1,0,0,0,0,0|1,0,2]=4 167 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [1,0,0,0,0,0|1,0,2]=4 168 B12R0.206 CCC=CC(=O)NCCCOCC 11a_100000210961_100000212282 [1,0,0,0,0,0|2,0,1]=4 169 B12R0.206 CCC=CC(=O)NCCCOCC 1626a_100000210961_100000212282 [1,0,0,0,0,0|2,0,1]=4 170 B12R0.206 CCC=CC(=O)NCCCOCC 240690a_100000210961_100000212282 [1,0,0,0,0,0|2,0,1]=4 171 B12R0.206 CCC=CC(=O)NCCOCCC 1626a_100161115042_100000212282 [1,0,0,0,0,0|2,0,1]=4 172 B12R0.206 CCC=CC(=O)NCCOCCC 240690a_100161115042_100000212282 [1,0,0,0,0,0|2,0,1]=4 173 B12R0.206 CCC=CC(=O)NCCSCCC 11a_100020603323_100000212282 [1,0,0,0,0,0|2,0,1]=4 174 B12R0.206 CCC=CC(=O)NCCSCCC 240690a_100020603323_100000212282 [1,0,0,0,0,0|2,0,1]=4 175 B14R0.73 CCCC(=CC(=O)NCCCOCC)C 11a_100000210961_100020676950 [0,1,0,0,0,0|2,0,1]=4 176 B14R0.73 CCCC(=CC(=O)NCCCOCC)C 1626a_100000210961_100020676950 [0,1,0,0,0,0|2,0,1]=4 177 B14R0.73 CCCC(=CC(=O)NCCCOCC)C 240690a_100000210961_100020676950 [0,1,0,0,0,0|2,0,1]=4 178 B14R0.73 CCCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210614 [0,1,0,0,0,0|1,0,2]=4 179 B14R0.73 CCCCCCNC(=O)C=C(C)CCC 11a_100000210581_100020676950 [0,1,0,0,0,0|1,0,2]=4 180 B14R0.73 CCCCCCNC(=O)C=C(C)CCC 1626a_100000210581_100020676950 [0,1,0,0,0,0|1,0,2]=4 181 B14R0.73 CCCCCCNC(=O)C=C(C)CCC 240690a_100000210581_100020676950 [0,1,0,0,0,0|1,0,2]=4 182 B14R0.73 CCCOCCNC(=O)C=C(C)CCC 1626a_100161115042_100020676950 [0,1,0,0,0,0|2,0,1]=4 183 B14R0.73 CCCOCCNC(=O)C=C(C)CCC 240690a_100161115042_100020676950 [0,1,0,0,0,0|2,0,1]=4 184 B14R0.73 CCCSCCNC(=O)C=C(C)CCC 11a_100020603323_100020676950 [0,1,0,0,0,0|2,0,1]=4 185 B14R0.73 CCCSCCNC(=O)C=C(C)CCC 240690a_100020603323_100020676950 [0,1,0,0,0,0|2,0,1]=4 186 B14R0.145 CCC/C=C/CC(=O)CCCCCCC 1458a_200016266809_100000210614 [0,1,0,0,0,0|1,0,2]=4 187 B14R0.145 CCC/C=C/CC(=O)NCCCCCC 11a_100000210581_200016266809 [0,1,0,0,0,0|1,0,2]=4 188 B14R0.145 CCC/C=C/CC(=O)NCCCCCC 1626a_100000210581_200016266809 [0,1,0,0,0,0|1,0,2]=4 189 B14R0.145 CCC/C=C/CC(=O)NCCCCCC 240690a_100000210581_200016266809 [0,1,0,0,0,0|1,0,2]=4 190 B14R0.145 CCC/C=C/CC(=O)NCCCCCC 527a_100000210581_200016266809 [0,1,0,0,0,0|1,0,2]=4 191 B14R0.145 CCC/C=C/CC(=O)NCCCOCC 11a_100000210961_200016266809 [0,1,0,0,0,0|2,0,1]=4 192 B14R0.145 CCC/C=C/CC(=O)NCCCOCC 1626a_100000210961_200016266809 [0,1,0,0,0,0|2,0,1]=4 193 B14R0.145 CCC/C=C/CC(=O)NCCCOCC 240690a_100000210961_200016266809 [0,1,0,0,0,0|2,0,1]=4 194 B14R0.145 CCC/C=C/CC(=O)NCCCOCC 527a_100000210961_200016266809 [0,1,0,0,0,0|2,0,1]=4 195 B14R0.145 CCC/C=C/CC(=O)NCCOCCC 1626a_100161115042_200016266809 [0,1,0,0,0,0|2,0,1]=4 196 B14R0.145 CCC/C=C/CC(=O)NCCOCCC 240690a_100161115042_200016266809 [0,1,0,0,0,0|2,0,1]=4 197 B14R0.145 CCC/C=C/CC(=O)NCCOCCC 527a_100161115042_200016266809 [0,1,0,0,0,0|2,0,1]=4 198 B14R0.145 CCC/C=C/CC(=O)NCCSCCC 11a_100020603323_200016266809 [0,1,0,0,0,0|2,0,1]=4 199 B14R0.145 CCC/C=C/CC(=O)NCCSCCC 240690a_100020603323_200016266809 [0,1,0,0,0,0|2,0,1]=4 200 B14R0.145 CCC/C=C/CC(=O)NCCSCCC 527a_100020603323_200016266809 [0,1,0,0,0,0|2,0,1]=4 201 B14R0.145 CCCCC=CC(=O)CCCCCCC 1458a_100016266645_100000210614 [0,1,0,0,0,0|1,0,2]=4 202 B14R0.145 CCCCC=CC(=O)NCCCCCC 11a_100000210581_100016266645 [0,1,0,0,0,0|1,0,2]=4 203 B14R0.145 CCCCC=CC(=O)NCCCCCC 1626a_100000210581_100016266645 [0,1,0,0,0,0|1,0,2]=4 204 B14R0.145 CCCCC=CC(=O)NCCCCCC 240690a_100000210581_100016266645 [0,1,0,0,0,0|1,0,2]=4 205 B14R0.145 CCCCC=CC(=O)NCCCOCC 11a_100000210961_100016266645 [0,1,0,0,0,0|2,0,1]=4 206 B14R0.145 CCCCC=CC(=O)NCCCOCC 1626a_100000210961_100016266645 [0,1,0,0,0,0|2,0,1]=4 207 B14R0.145 CCCCC=CC(=O)NCCCOCC 240690a_100000210961_100016266645 [0,1,0,0,0,0|2,0,1]=4 208 B14R0.145 CCCCC=CC(=O)NCCOCCC 1626a_100161115042_100016266645 [0,1,0,0,0,0|2,0,1]=4 209 B14R0.145 CCCCC=CC(=O)NCCOCCC 240690a_100161115042_100016266645 [0,1,0,0,0,0|2,0,1]=4 210 B14R0.145 CCCCC=CC(=O)NCCSCCC 11a_100020603323_100016266645 [0,1,0,0,0,0|2,0,1]=4 211 B14R0.145 CCCCC=CC(=O)NCCSCCC 240690a_100020603323_100016266645 [0,1,0,0,0,0|2,0,1]=4 212 B14R0.179 CC/C=C\CCOCC(=O)CCCCC 34a_100016288707_200012276598 [0,1,0,0,0,0|0,0,2]=3 213 B14R0.179 CC/C=C\CCOCC(=O)CCCCC 7a_100016288707_200012276598 [0,1,0,0,0,0|0,0,2]=3 214 B14R0.179 CC/C=C\CCOCC(=O)NCCCC 34a_100016288707_100000182744 [0,1,0,0,0,0|1,0,1]=3 215 B14R0.179 CC/C=C\CCOCC(=O)NCCCC 7a_100016288707_100000182744 [0,1,0,0,0,0|1,0,1]=3 216 B14R0.179 CC/C=C\CCOCC(=O)NCCOC 34a_100016288707_100000183275 [0,1,0,0,0,0|2,0,1]=4 217 B14R0.179 CC/C=C\CCOCC(=O)NCCOC 7a_100016288707_100000183275 [0,1,0,0,0,0|2,0,1]=4 218 B14R0.179 CC/C=C\CCOCC(=O)OCCCC 34a_100016288707_100000211628 [0,1,0,0,0,0|1,0,1]=3 219 B14R0.179 CC/C=C\CCOCC(=O)OCCCC 7a_100016288707_100000211628 [0,1,0,0,0,0|1,0,1]=3 220 B14R0.179 CC/C=C\CCOCC(=O)OCCOC 34a_100016288707_200000040189 [0,1,0,0,0,0|2,0,1]=4 221 B14R0.179 CC/C=C\CCOCC(=O)OCCOC 7a_100016288707_200000040189 [0,1,0,0,0,0|2,0,1]=4 222 B14R0.179 CC/C=C\CCSCC(=O)CCCCC 62a_100015370543_200012276598 [0,1,0,0,0,0|0,1,2]=4 223 B14R0.179 CC/C=C\CCSCC(=O)CCCCC 62a_200012276598_100015370543 [0,1,0,0,0,0|0,1,2]=4 224 B14R0.179 CC/C=C\CCSCC(=O)NCCCC 62a_100000182744_100015370543 [0,1,0,0,0,0|1,1,1]=4 225 B14R0.179 CC/C=C\CCSCC(=O)NCCCC 62a_100015370543_100000182744 [0,1,0,0,0,0|1,1,1]=4 226 B14R0.179 CC/C=C\CCSCC(=O)OCCCC 62a_100000211628_100015370543 [0,1,0,0,0,0|1,1,1]=4 227 B14R0.179 CC/C=C\CCSCC(=O)OCCCC 62a_100015370543_100000211628 [0,1,0,0,0,0|1,1,1]=4 228 B14R0.179 CCCC=CC(=O)CCCCCCCC 1458a_100000212230_100000210759 [0,1,0,0,0,0|1,0,2]=4 229 B14R0.179 CCCC=CC(=O)CCCCCCCO 1458a_100000212230_100000760002 [0,1,0,0,0,0|1,0,2]=4 230 B14R0.179 CCCC=CC(=O)CCCCCCOC 1458a_100000212230_100011998445 [0,1,0,0,0,0|1,0,2]=4 231 B14R0.179 CCCC=CC(=O)CCCOCCOC 1458a_100000212230_100011216529 [0,1,0,0,0,0|2,0,1]=4 232 B14R0.179 CCCC=CC(=O)CCOCCOCC 1458a_100000212230_100011211534 [0,1,0,0,0,0|2,0,1]=4 233 B14R0.179 CCCC=CC(=O)NCCCCCCC 11a_100000229938_100000212230 [0,1,0,0,0,0|1,0,2]=4 234 B14R0.179 CCCC=CC(=O)NCCCCCCC 1626a_100000229938_100000212230 [0,1,0,0,0,0|1,0,2]=4 235 B14R0.179 CCCC=CC(=O)NCCCCCCC 240690a_100000229938_100000212230 [0,1,0,0,0,0|1,0,2]=4 236 B14R0.179 CCCC=CC(=O)NCCCCCCO 240690a_100000686447_100000212230 [0,1,0,0,0,0|1,0,2]=4 237 B14R0.179 CCCC=CC(=O)NCCCCCOC 11a_100000747528_100000212230 [0,1,0,0,0,0|1,0,2]=4 238 B14R0.179 CCCC=CC(=O)NCCCCCOC 1626a_100000747528_100000212230 [0,1,0,0,0,0|1,0,2]=4 239 B14R0.179 CCCC=CC(=O)NCCCCCOC 240690a_100000747528_100000212230 [0,1,0,0,0,0|1,0,2]=4 240 B14R0.179 CCCC=CC(=O)NCCCOCCC 1626a_100011217757_100000212230 [0,1,0,0,0,0|1,0,2]=4 241 B14R0.179 CCCC=CC(=O)NCCCOCCC 240690a_100011217757_100000212230 [0,1,0,0,0,0|1,0,2]=4 242 B14R0.179 CCCC=CC(=O)NCCOCCOC 11a_100000745349_100000212230 [0,1,0,0,0,0|2,0,1]=4 243 B14R0.179 CCCC=CC(=O)NCCOCCOC 1626a_100000745349_100000212230 [0,1,0,0,0,0|2,0,1]=4 244 B14R0.179 CCCC=CC(=O)NCCOCCOC 240690a_100000745349_100000212230 [0,1,0,0,0,0|2,0,1]=4 245 B14R0.179 CCCC=CC(=O)NCCSCCCC 11a_100025743550_100000212230 [0,1,0,0,0,0|1,0,2]=4 246 B14R0.179 CCCC=CC(=O)NCCSCCCC 1626a_100025743550_100000212230 [0,1,0,0,0,0|1,0,2]=4 247 B14R0.179 CCCC=CC(=O)NCCSCCCC 240690a_100025743550_100000212230 [0,1,0,0,0,0|1,0,2]=4 248 B14R0.226 CCC(=O)NCCNC(=O)C=CCOC 11a_100132302217_100016285016 [0,1,0,0,0,0|3,0,0]=4 249 B14R0.226 CCC(=O)NCCNC(=O)C=CCOC 1626a_100132302217_100016285016 [0,1,0,0,0,0|3,0,0]=4 250 B14R0.226 CCC(=O)NCCNC(=O)C=CCOC 240690a_100132302217_100016285016 [0,1,0,0,0,0|3,0,0]=4 251 B14R0.226 CCCC=CC(=O)CCCCC(=O)OC 1458a_100000212230_100000204269 [0,1,0,0,0,0|2,0,1]=4 252 B14R0.226 CCCC=CC(=O)NCCCC(=O)NC 11a_100000740002_100000212230 [0,1,0,0,0,0|2,0,1]=4 253 B14R0.226 CCCC=CC(=O)NCCCC(=O)NC 240690a_100000740002_100000212230 [0,1,0,0,0,0|2,0,1]=4 254 B14R0.226 CCCC=CC(=O)NCCCC(=O)OC 188690a_100000184769_100000212230 [0,1,0,0,0,0|2,0,1]=4 255 B14R0.226 CCCC=CC(=O)NCCNC(=O)CC 11a_100132302217_100000212230 [0,1,0,0,0,0|2,0,0]=3 256 B14R0.226 CCCC=CC(=O)NCCNC(=O)CC 1626a_100132302217_100000212230 [0,1,0,0,0,0|2,0,0]=3 257 B14R0.226 CCCC=CC(=O)NCCNC(=O)CC 240690a_100132302217_100000212230 [0,1,0,0,0,0|2,0,0]=3 258 B14R0.226 CCCC=CC(=O)NCCNC(=O)NC 11a_100015205895_100000212230 [0,1,0,0,0,0|3,0,0]=4 259 B14R0.226 CCCC=CC(=O)NCCNC(=O)NC 240690a_100015205895_100000212230 [0,1,0,0,0,0|3,0,0]=4 260 B14R0.226 CCOC=CC(=O)NCCNC(=O)CC 11a_100132302217_100016266692 [0,1,0,0,0,0|3,0,0]=4 261 B14R0.226 CCOC=CC(=O)NCCNC(=O)CC 1626a_100132302217_100016266692 [0,1,0,0,0,0|3,0,0]=4 262 B14R0.226 CCOC=CC(=O)NCCNC(=O)CC 240690a_100132302217_100016266692 [0,1,0,0,0,0|3,0,0]=4 263 B14R0.231 CCCC=CC(=O)CCCCCC(C)C 1458a_100000212230_100000210682 [0,1,0,0,0,0|1,0,2]=4 264 B14R0.231 CCCC=CC(=O)NCCCOC(C)C 11a_100000737246_100000212230 [0,1,0,0,0,0|2,0,1]=4 265 B14R0.231 CCCC=CC(=O)NCCCOC(C)C 1626a_100000737246_100000212230 [0,1,0,0,0,0|2,0,1]=4 266 B14R0.231 CCCC=CC(=O)NCCCOC(C)C 240690a_100000737246_100000212230 [0,1,0,0,0,0|2,0,1]=4 267 B14R0.529 CCCC=CC(=O)NCC(C)OCCC 11a_100015185124_100000212230 [0,1,0,0,0,0|2,0,1]=4 268 B14R0.529 CCCC=CC(=O)NCC(C)OCCC 1626a_100015185124_100000212230 [0,1,0,0,0,0|2,0,1]=4 269 B14R0.529 CCCC=CC(=O)NCC(C)OCCC 240690a_100015185124_100000212230 [0,1,0,0,0,0|2,0,1]=4 270 B14R0.529 CCCC=CC(=O)NCC(O)COCC 240690a_102515437182_100000212230 [0,1,0,0,0,0|2,0,1]=4 271 B14R0.1095 CC/C=C\CCOC(=O)C(=NNCC)C 4a_100000756455_200020667342 [0,1,0,0,0,0|2,0,0]=3 272 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCC 34a_200020655201_100000210303 [0,1,0,0,0,0|1,0,1]=3 273 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCC 7a_200020655201_100000210303 [0,1,0,0,0,0|1,0,1]=3 274 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCF 34a_200020655201_100011217306 [0,1,0,0,0,0|2,0,1]=4 275 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCF 7a_200020655201_100011217306 [0,1,0,0,0,0|2,0,1]=4 276 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCO 34a_200020655201_100000211926 [0,1,0,0,0,0|2,0,1]=4 277 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCCO 7a_200020655201_100000211926 [0,1,0,0,0,0|2,0,1]=4 278 B14R0.1095 CC/C=C\CCOC(=O)C(C)OCSC 34a_200020655201_100011218213 [0,1,0,0,0,0|2,0,1]=4 279 B14R0.1095 CC/C=C\CCOC(C)C(=O)NCCC 34a_100016288707_100000230305 [0,1,0,0,0,0|2,0,1]=4 280 B14R0.1095 CC/C=C\CCOC(C)C(=O)NCCC 7a_100016288707_100000230305 [0,1,0,0,0,0|2,0,1]=4 281 B14R0.1095 CC/C=C\CCOC(C)C(=O)OCCC 34a_100000037348_100015370543 [0,1,0,0,0,0|2,0,1]=4 282 B14R0.1095 CC/C=C\CCOC(C)C(=O)OCCC 34a_100016288707_100000760410 [0,1,0,0,0,0|2,0,1]=4 283 B14R0.1095 CC/C=C\CCOC(C)C(=O)OCCC 7a_100000037348_100015370543 [0,1,0,0,0,0|2,0,1]=4 284 B14R0.1095 CC/C=C\CCOC(C)C(=O)OCCC 7a_100016288707_100000760410 [0,1,0,0,0,0|2,0,1]=4 285 B14R0.1095 CCC/C=C(\C)/C(=O)CCCCCCC 1458a_200020648666_100000210614 [0,1,0,0,0,0|1,0,2]=4 286 B14R0.1095 CCC/C=C(\C)/C(=O)NCCCCCC 11a_100000210581_200020648666 [0,1,0,0,0,0|1,0,2]=4 287 B14R0.1095 CCC/C=C(\C)/C(=O)NCCCCCC 1626a_100000210581_200020648666 [0,1,0,0,0,0|1,0,2]=4 288 B14R0.1095 CCC/C=C(\C)/C(=O)NCCCCCC 240690a_100000210581_200020648666 [0,1,0,0,0,0|1,0,2]=4 289 B14R0.1095 CCC/C=C(\C)/C(=O)NCCCOCC 11a_100000210961_200020648666 [0,1,0,0,0,0|2,0,1]=4 290 B14R0.1095 CCC/C=C(\C)/C(=O)NCCCOCC 1626a_100000210961_200020648666 [0,1,0,0,0,0|2,0,1]=4 291 B14R0.1095 CCC/C=C(\C)/C(=O)NCCCOCC 240690a_100000210961_200020648666 [0,1,0,0,0,0|2,0,1]=4 292 B14R0.1095 CCC/C=C(\C)/C(=O)NCCOCCC 1626a_100161115042_200020648666 [0,1,0,0,0,0|2,0,1]=4 293 B14R0.1095 CCC/C=C(\C)/C(=O)NCCOCCC 240690a_100161115042_200020648666 [0,1,0,0,0,0|2,0,1]=4 294 B14R0.1095 CCC/C=C(\C)/C(=O)NCCSCCC 11a_100020603323_200020648666 [0,1,0,0,0,0|2,0,1]=4 295 B14R0.1095 CCC/C=C(\C)/C(=O)NCCSCCC 240690a_100020603323_200020648666 [0,1,0,0,0,0|2,0,1]=4 296 B14R0.1444 CCCC=CC(=O)NC(C)CCCCC 11a_100000211957_100000212230 [0,1,0,0,0,0|1,0,2]=4 297 B14R0.1444 CCCC=CC(=O)NC(C)CCCCC 1626a_100000211957_100000212230 [0,1,0,0,0,0|1,0,2]=4 298 B14R0.1444 CCCC=CC(=O)NC(C)CCCCC 240690a_100000211957_100000212230 [0,1,0,0,0,0|1,0,2]=4 299 B14R0.2256 CCCC=CC(=O)C(C)CCCCCC 1458a_100000212230_100011215978 [0,1,0,0,0,0|1,0,2]=4 300 B14R0.2256 CCCC=CC(=O)N(C)CCCCCC 11a_106256046315_100000212230 [0,1,0,0,0,0|1,0,2]=4 301 B14R0.2256 CCCC=CC(=O)N(C)CCCCCC 1626a_106256046315_100000212230 [0,1,0,0,0,0|1,0,2]=4 302 B14R0.2256 CCCC=CC(=O)N(C)CCCCCC 240690a_106256046315_100000212230 [0,1,0,0,0,0|1,0,2]=4 303 B14R0.2432 CCCC=CC(=O)CCCC(=O)OCC 1458a_100000212230_100011215271 [0,1,0,0,0,0|2,0,0]=3 304 B14R0.2432 CCCC=CC(=O)CCNC(=O)OCC 1458a_100000212230_200011445536 [0,1,0,0,0,0|3,0,0]=4 305 B14R0.2432 CCCC=CC(=O)NCCC(=O)NCC 11a_100025743525_100000212230 [0,1,0,0,0,0|2,0,0]=3 306 B14R0.2432 CCCC=CC(=O)NCCC(=O)NCC 1626a_100025743525_100000212230 [0,1,0,0,0,0|2,0,0]=3 307 B14R0.2432 CCCC=CC(=O)NCCC(=O)NCC 240690a_100025743525_100000212230 [0,1,0,0,0,0|2,0,0]=3 308 B14R0.2432 CCCC=CC(=O)NCCC(=O)OCC 188690a_100000746078_100000212230 [0,1,0,0,0,0|2,0,0]=3 309 B14R0.2432 CCNC(=O)CCNC(=O)C=CCOC 11a_100025743525_100016285016 [0,1,0,0,0,0|3,0,0]=4 310 B14R0.2432 CCNC(=O)CCNC(=O)C=CCOC 1626a_100025743525_100016285016 [0,1,0,0,0,0|3,0,0]=4 311 B14R0.2432 CCNC(=O)CCNC(=O)C=CCOC 240690a_100025743525_100016285016 [0,1,0,0,0,0|3,0,0]=4 312 B14R0.2432 CCNC(=O)CCNC(=O)C=COCC 11a_100025743525_100016266692 [0,1,0,0,0,0|3,0,0]=4 313 B14R0.2432 CCNC(=O)CCNC(=O)C=COCC 1626a_100025743525_100016266692 [0,1,0,0,0,0|3,0,0]=4 314 B14R0.2432 CCNC(=O)CCNC(=O)C=COCC 240690a_100025743525_100016266692 [0,1,0,0,0,0|3,0,0]=4 315 B14R0.2432 CCOC(=O)CCCC(=O)C=CCOC 1458a_100016285016_100011215271 [0,1,0,0,0,0|3,0,0]=4 316 B14R0.2432 CCOC(=O)CCNC(=O)C=CCOC 188690a_100000746078_100016285016 [0,1,0,0,0,0|3,0,0]=4 317 B14R0.2432 CCOC=CC(=O)CCCC(=O)OCC 1458a_100016266692_100011215271 [0,1,0,0,0,0|3,0,0]=4 318 B14R1.26 CC/C=C\CCOc1cccc(c1)C 34a_100000210337_100015370543 [0,0,0,1,0,0|1,0,2]=4 319 B14R1.26 CC/C=C\CCOc1cccc(c1)C 7a_100000210337_100015370543 [0,0,0,1,0,0|1,0,2]=4 320 B14R1.26 CC/C=C\CCOc1ccnc(c1)C 34a_100000688365_100015370543 [0,0,0,1,0,0|2,0,1]=4 321 B14R1.86 CCCC=CC(=O)CCC1CCCC1 1458a_100000212230_100000760354 [0,0,0,1,0,0|1,0,2]=4 322 B14R1.86 CCCC=CC(=O)NCC1CCCC1 11a_100000737975_100000212230 [0,0,0,1,0,0|1,0,2]=4 323 B14R1.86 CCCC=CC(=O)NCC1CCCC1 1626a_100000737975_100000212230 [0,0,0,1,0,0|1,0,2]=4 324 B14R1.86 CCCC=CC(=O)NCC1CCCC1 240690a_100000737975_100000212230 [0,0,0,1,0,0|1,0,2]=4 325 B14R1.86 CCCC=CC(=O)NCC1CCOC1 11a_100000737293_100000212230 [0,0,0,1,0,0|2,0,1]=4 326 B14R1.86 CCCC=CC(=O)NCC1CCOC1 1626a_100000737293_100000212230 [0,0,0,1,0,0|2,0,1]=4 327 B14R1.86 CCCC=CC(=O)NCC1CCOC1 240690a_100000737293_100000212230 [0,0,0,1,0,0|2,0,1]=4 328 B14R1.86 CCCC=CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000212230 [0,0,0,1,0,0|2,0,1]=4 329 B14R1.86 CCCC=CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000212230 [0,0,0,1,0,0|2,0,1]=4 330 B14R1.86 CCCC=CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000212230 [0,0,0,1,0,0|2,0,1]=4 331 B14R1.158 CCCC=CC(=O)CC1CCCCC1 1458a_100000212230_100000211423 [0,0,0,1,0,0|1,0,2]=4 332 B14R1.158 CCCC=CC(=O)CC1CCCOC1 1458a_100000212230_100000741521 [0,0,0,1,0,0|2,0,1]=4 333 B14R1.158 CCCC=CC(=O)CC1CCOCC1 1458a_100000212230_100000754603 [0,0,0,1,0,0|2,0,1]=4 334 B14R1.158 CCCC=CC(=O)NC1CCCCC1 11a_100000182618_100000212230 [0,0,0,1,0,0|1,0,2]=4 335 B14R1.158 CCCC=CC(=O)NC1CCCCC1 1626a_100000182618_100000212230 [0,0,0,1,0,0|1,0,2]=4 336 B14R1.158 CCCC=CC(=O)NC1CCCCC1 240690a_100000182618_100000212230 [0,0,0,1,0,0|1,0,2]=4 337 B14R1.158 CCCC=CC(=O)NC1CCCOC1 11a_100000719290_100000212230 [0,0,0,1,0,0|2,0,1]=4 338 B14R1.158 CCCC=CC(=O)NC1CCCOC1 1626a_100000719290_100000212230 [0,0,0,1,0,0|2,0,1]=4 339 B14R1.158 CCCC=CC(=O)NC1CCCOC1 240690a_100000719290_100000212230 [0,0,0,1,0,0|2,0,1]=4 340 B14R1.158 CCCC=CC(=O)NC1CCOCC1 11a_100000741149_100000212230 [0,0,0,1,0,0|2,0,1]=4 341 B14R1.158 CCCC=CC(=O)NC1CCOCC1 1626a_100000741149_100000212230 [0,0,0,1,0,0|2,0,1]=4 342 B14R1.158 CCCC=CC(=O)NC1CCOCC1 240690a_100000741149_100000212230 [0,0,0,1,0,0|2,0,1]=4 343 B14R1.158 CCCC=CC(=O)NC1CCSCC1 11a_100000748639_100000212230 [0,0,0,1,0,0|2,0,1]=4 344 B14R1.158 CCCC=CC(=O)NC1CCSCC1 1626a_100000748639_100000212230 [0,0,0,1,0,0|2,0,1]=4 345 B14R1.158 CCCC=CC(=O)NC1CCSCC1 240690a_100000748639_100000212230 [0,0,0,1,0,0|2,0,1]=4 346 B14R1.169 CCCCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210614 [0,0,0,1,0,0|1,0,2]=4 347 B14R1.169 CCCCCCNC(=O)C1=CCCC1 11a_100000210581_100000038896 [0,0,0,1,0,0|1,0,2]=4 348 B14R1.169 CCCCCCNC(=O)C1=CCCC1 1626a_100000210581_100000038896 [0,0,0,1,0,0|1,0,2]=4 349 B14R1.169 CCCCCCNC(=O)C1=CCCC1 240690a_100000210581_100000038896 [0,0,0,1,0,0|1,0,2]=4 350 B14R1.169 CCCOCCNC(=O)C1=CCCC1 1626a_100161115042_100000038896 [0,0,0,1,0,0|2,0,1]=4 351 B14R1.169 CCCOCCNC(=O)C1=CCCC1 240690a_100161115042_100000038896 [0,0,0,1,0,0|2,0,1]=4 352 B14R1.169 CCCSCCNC(=O)C1=CCCC1 11a_100020603323_100000038896 [0,0,0,1,0,0|2,0,1]=4 353 B14R1.169 CCCSCCNC(=O)C1=CCCC1 240690a_100020603323_100000038896 [0,0,0,1,0,0|2,0,1]=4 354 B14R1.169 CCOCCCNC(=O)C1=CCCC1 11a_100000210961_100000038896 [0,0,0,1,0,0|2,0,1]=4 355 B14R1.169 CCOCCCNC(=O)C1=CCCC1 1626a_100000210961_100000038896 [0,0,0,1,0,0|2,0,1]=4 356 B14R1.169 CCOCCCNC(=O)C1=CCCC1 240690a_100000210961_100000038896 [0,0,0,1,0,0|2,0,1]=4 357 B14R1.1035 CCCC=CC(=O)N1CCCCC1C 11a_100000211376_100000212230 [0,0,0,1,0,0|1,0,2]=4 358 B14R1.1035 CCCC=CC(=O)N1CCCCC1C 1626a_100000211376_100000212230 [0,0,0,1,0,0|1,0,2]=4 359 B14R1.1035 CCCC=CC(=O)N1CCCCC1C 240690a_100000211376_100000212230 [0,0,0,1,0,0|1,0,2]=4 360 B14R1.1035 CCCC=CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000212230 [0,0,0,1,0,0|2,0,1]=4 361 B14R1.1035 CCCC=CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000212230 [0,0,0,1,0,0|2,0,1]=4 362 B14R1.1044 CCCC=CC(=O)NCCN1CCC1 240690a_100000691440_100000212230 [0,0,0,1,0,0|2,0,1]=4 363 B14R1.1045 CCCC=CC(=O)N1CC=CC1CC 11a_100000730860_100000212230 [0,0,0,1,0,0|1,0,2]=4 364 B14R1.1045 CCCC=CC(=O)N1CC=CC1CC 1626a_100000730860_100000212230 [0,0,0,1,0,0|1,0,2]=4 365 B14R1.1045 CCCC=CC(=O)N1CC=CC1CC 240690a_100000730860_100000212230 [0,0,0,1,0,0|1,0,2]=4 366 B14R1.1045 CCCC=CC(=O)N1CCCC1CC 11a_100000754278_100000212230 [0,0,0,1,0,0|1,0,2]=4 367 B14R1.1045 CCCC=CC(=O)N1CCCC1CC 1626a_100000754278_100000212230 [0,0,0,1,0,0|1,0,2]=4 368 B14R1.1045 CCCC=CC(=O)N1CCCC1CC 240690a_100000754278_100000212230 [0,0,0,1,0,0|1,0,2]=4 369 B14R1.3001 CC/C=C\CC(=O)C1CCC=CCC1 1458a_100000048548_100103147603 [0,0,0,1,0,0|1,0,2]=4 370 B14R1.3001 CCCC=CC(=O)C1CCCCCC1 1458a_100000212230_100011217769 [0,0,0,1,0,0|1,0,2]=4 371 B14R1.3001 CCCC=CC(=O)N1CCCCCC1 11a_100000185865_100000212230 [0,0,0,1,0,0|1,0,2]=4 372 B14R1.3001 CCCC=CC(=O)N1CCCCCC1 1626a_100000185865_100000212230 [0,0,0,1,0,0|1,0,2]=4 373 B14R1.3001 CCCC=CC(=O)N1CCCCCC1 240690a_100000185865_100000212230 [0,0,0,1,0,0|1,0,2]=4 374 B14R1.3001 CCCC=CC(=O)N1CCCOCC1 11a_100000685342_100000212230 [0,0,0,1,0,0|2,0,1]=4 375 B14R1.3001 CCCC=CC(=O)N1CCCOCC1 1626a_100000685342_100000212230 [0,0,0,1,0,0|2,0,1]=4 376 B14R1.3001 CCCC=CC(=O)N1CCCOCC1 240690a_100000685342_100000212230 [0,0,0,1,0,0|2,0,1]=4 377 B14R1.3001 CCCCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210326 [0,0,0,1,0,0|1,0,2]=4 378 B14R1.3001 CCCCNC(=O)C1CCC=CCC1 11a_100000102301_100000048548 [0,0,0,1,0,0|2,0,1]=4 379 B14R1.3001 CCCCNC(=O)C1CCC=CCC1 1626a_100000102301_100000048548 [0,0,0,1,0,0|2,0,1]=4 380 B14R1.3001 CCCCNC(=O)C1CCC=CCC1 240690a_100000102301_100000048548 [0,0,0,1,0,0|2,0,1]=4 381 B14R1.3001 CCCCNC(=O)C1CCC=CCC1 527a_100000102301_100000048548 [0,0,0,1,0,0|2,0,1]=4 382 B14R1.3001 CCCNNC(=O)C1CCC=CCC1 22a_100000740057_100000048548 [0,0,0,1,0,0|3,0,0]=4 383 B14R1.3454 CC/C=C\CCOc1cnn(c1)CC 34a_100000708037_100015370543 [0,0,0,1,0,0|3,0,0]=4 384 B14R1.3454 CC/C=C\CCSc1ccc(s1)CC 62a_100009844052_100015370543 [0,0,0,1,0,0|0,2,1]=4 385 B14R1.3454 CC/C=C\CCSc1ccc(s1)CC 62a_100015370543_100009844052 [0,0,0,1,0,0|0,2,1]=4 386 B14R1.3454 CC/C=C\CCSc1ccn(n1)CC 62a_100012350556_100015370543 [0,0,0,1,0,0|2,1,0]=4 387 B14R1.3454 CC/C=C\CCSc1ccn(n1)CC 62a_100015370543_100012350556 [0,0,0,1,0,0|2,1,0]=4 388 B14R1.4517 CCCCCCCC(=O)C=C1CCC1 1458a_100000686340_100000210614 [0,0,0,1,0,0|1,0,2]=4 389 B14R1.4517 CCCCCCNC(=O)C=C1CCC1 11a_100000210581_100000686340 [0,0,0,1,0,0|1,0,2]=4 390 B14R1.4517 CCCCCCNC(=O)C=C1CCC1 240690a_100000210581_100000686340 [0,0,0,1,0,0|1,0,2]=4 391 B14R1.4517 CCCOCCNC(=O)C=C1CCC1 240690a_100161115042_100000686340 [0,0,0,1,0,0|2,0,1]=4 392 B14R1.4517 CCCSCCNC(=O)C=C1CCC1 11a_100020603323_100000686340 [0,0,0,1,0,0|2,0,1]=4 393 B14R1.4517 CCCSCCNC(=O)C=C1CCC1 240690a_100020603323_100000686340 [0,0,0,1,0,0|2,0,1]=4 394 B14R1.4517 CCOCCCNC(=O)C=C1CCC1 11a_100000210961_100000686340 [0,0,0,1,0,0|2,0,1]=4 395 B14R1.4517 CCOCCCNC(=O)C=C1CCC1 240690a_100000210961_100000686340 [0,0,0,1,0,0|2,0,1]=4 396 B14R1.4518 CCCCCCCC(=O)C=CC1CC1 1458a_100102529529_100000210614 [0,0,0,1,0,0|1,0,2]=4 397 B14R1.4518 CCCCCCNC(=O)C=CC1CC1 11a_100000210581_100102529529 [0,0,0,1,0,0|1,0,2]=4 398 B14R1.4518 CCCCCCNC(=O)C=CC1CC1 1626a_100000210581_100102529529 [0,0,0,1,0,0|1,0,2]=4 399 B14R1.4518 CCCCCCNC(=O)C=CC1CC1 240690a_100000210581_100102529529 [0,0,0,1,0,0|1,0,2]=4 400 B14R1.4518 CCCOCCNC(=O)C=CC1CC1 1626a_100161115042_100102529529 [0,0,0,1,0,0|2,0,1]=4 401 B14R1.4518 CCCOCCNC(=O)C=CC1CC1 240690a_100161115042_100102529529 [0,0,0,1,0,0|2,0,1]=4 402 B14R1.4518 CCCSCCNC(=O)C=CC1CC1 11a_100020603323_100102529529 [0,0,0,1,0,0|2,0,1]=4 403 B14R1.4518 CCCSCCNC(=O)C=CC1CC1 240690a_100020603323_100102529529 [0,0,0,1,0,0|2,0,1]=4 404 B14R1.4518 CCOCCCNC(=O)C=CC1CC1 11a_100000210961_100102529529 [0,0,0,1,0,0|2,0,1]=4 405 B14R1.4518 CCOCCCNC(=O)C=CC1CC1 1626a_100000210961_100102529529 [0,0,0,1,0,0|2,0,1]=4 406 B14R1.4518 CCOCCCNC(=O)C=CC1CC1 240690a_100000210961_100102529529 [0,0,0,1,0,0|2,0,1]=4 407 B11R0.3 CC/C=C/CC/C=C/COCC 34a_100016264143_100000210202 [2,0,0,0,0,0|1,0,1]=4 408 B11R0.3 CC/C=C/CC/C=C/COCC 7a_100016264143_100000210202 [2,0,0,0,0,0|1,0,1]=4 409 B11R0.3 CC/C=C\CCC=NNCCC 4a_100000740057_100016279218 [2,0,0,0,0,0|2,0,0]=4 410 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016268518_100015370543 [2,0,0,0,0,0|0,0,1]=3 411 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016288707_100103147603 [2,0,0,0,0,0|0,0,1]=3 412 B11R0.3 CC/C=C\CCOC/C=C\CC 7a_100016288707_100103147603 [2,0,0,0,0,0|0,0,1]=3 413 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [2,0,0,0,0,0|0,0,2]=4 414 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [2,0,0,0,0,0|0,0,2]=4 415 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [2,0,0,0,0,0|0,0,2]=4 416 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [2,0,0,0,0,0|0,0,2]=4 417 B11R0.3 CC/C=C\CCSC/C=C\CC 62a_100015370543_100103147603 [2,0,0,0,0,0|0,1,1]=4 418 B11R0.3 CC/C=C\CCSC/C=C\CC 62a_100103147603_100015370543 [2,0,0,0,0,0|0,1,1]=4 419 B11R0.3 CC/C=C\COC/C=C/CCC 34a_100016278788_100103147603 [2,0,0,0,0,0|0,0,1]=3 420 B11R0.3 CC/C=C\COC/C=C/CCC 7a_100016278788_100103147603 [2,0,0,0,0,0|0,0,1]=3 421 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [2,0,0,0,0,0|0,0,2]=4 422 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [2,0,0,0,0,0|0,0,2]=4 423 B11R0.3 CCC/C=C/COCCOCC 34a_100016278788_100000210147 [2,0,0,0,0,0|1,0,1]=4 424 B11R0.3 CCC/C=C/COCCOCC 7a_100016278788_100011215890 [2,0,0,0,0,0|1,0,1]=4 425 B11R0.3 CCC/C=C/COCCSCC 34a_100016278788_100000757381 [2,0,0,0,0,0|1,0,1]=4 426 B11R0.3 CCC/C=C/COCCSCC 7a_100016278788_100000757381 [2,0,0,0,0,0|1,0,1]=4 427 B11R0.81 C=CC=CC(=O)CC/C=C\CC 1458a_100016291481_100015370543 [2,0,0,0,0,0|0,0,2]=4 428 B11R0.81 CC/C=C\CCC(=O)C=COC 1458a_100016268678_100015370543 [2,0,0,0,0,0|1,0,0]=3 429 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [2,0,0,0,0,0|0,0,1]=3 430 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [2,0,0,0,0,0|1,0,1]=4 431 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [2,0,0,0,0,0|1,0,1]=4 432 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [2,0,0,0,0,0|1,0,1]=4 433 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [2,0,0,0,0,0|1,0,1]=4 434 B11R0.81 CC=CCC(=O)CC/C=C\CC 1458a_100121576822_100015370543 [2,0,0,0,0,0|0,0,2]=4 435 B11R0.81 CCC#CC(=O)CC/C=C\CC 1458a_100011827653_100015370543 [2,0,0,0,0,0|0,0,2]=4 436 B11R0.81 CCC=CC(=O)CC/C=C\CC 1458a_100000212282_100015370543 [2,0,0,0,0,0|0,0,0]=2 437 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [2,0,0,0,0,0|0,0,2]=4 438 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [2,0,0,0,0,0|1,0,1]=4 439 B11R0.81 CCC=CC(=O)CCOCCC 1458a_100000212282_100011215938 [2,0,0,0,0,0|1,0,1]=4 440 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [2,0,0,0,0,0|1,0,1]=4 441 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [2,0,0,0,0,0|1,0,1]=4 442 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [2,0,0,0,0,0|1,0,1]=4 443 B11R0.81 CCC=CC(=O)NCCOCC 11a_100011200944_100000212282 [2,0,0,0,0,0|2,0,0]=4 444 B11R0.81 CCC=CC(=O)NCCOCC 1626a_102516460346_100000212282 [2,0,0,0,0,0|2,0,0]=4 445 B11R0.81 CCC=CC(=O)NCCOCC 240690a_100011200944_100000212282 [2,0,0,0,0,0|2,0,0]=4 446 B11R0.81 CCC=CC(=O)NCCSCC 11a_100000106463_100000212282 [2,0,0,0,0,0|2,0,0]=4 447 B11R0.81 CCC=CC(=O)NCCSCC 1626a_100000106463_100000212282 [2,0,0,0,0,0|2,0,0]=4 448 B11R0.81 CCC=CC(=O)NCCSCC 240690a_100000106463_100000212282 [2,0,0,0,0,0|2,0,0]=4 449 B11R0.140 C/C=C/C=CC(=O)C/C=C\CC 1458a_100000185730_100103147603 [2,0,0,0,0,0|0,0,2]=4 450 B11R0.140 C=CCCCC(=O)C=CCCC 1458a_100000212230_100000757094 [2,0,0,0,0,0|1,0,0]=3 451 B11R0.140 C=CCCCC(=O)C=CCOC 1458a_100016285016_100000757094 [2,0,0,0,0,0|2,0,0]=4 452 B11R0.140 C=CCCCC(=O)C=COCC 1458a_100016266692_100000757094 [2,0,0,0,0,0|2,0,0]=4 453 B11R0.140 C=CCCNC(=O)C=CCCC 11a_100015191253_100000212230 [2,0,0,0,0,0|1,0,0]=3 454 B11R0.140 C=CCCNC(=O)C=CCCC 1626a_100015191253_100000212230 [2,0,0,0,0,0|1,0,0]=3 455 B11R0.140 C=CCCNC(=O)C=CCCC 240690a_100015191253_100000212230 [2,0,0,0,0,0|1,0,0]=3 456 B11R0.140 C=CCCNC(=O)C=CCOC 11a_100015191253_100016285016 [2,0,0,0,0,0|2,0,0]=4 457 B11R0.140 C=CCCNC(=O)C=CCOC 1626a_100015191253_100016285016 [2,0,0,0,0,0|2,0,0]=4 458 B11R0.140 C=CCCNC(=O)C=CCOC 240690a_100015191253_100016285016 [2,0,0,0,0,0|2,0,0]=4 459 B11R0.140 C=CCCNC(=O)C=COCC 11a_100015191253_100016266692 [2,0,0,0,0,0|2,0,0]=4 460 B11R0.140 C=CCCNC(=O)C=COCC 1626a_100015191253_100016266692 [2,0,0,0,0,0|2,0,0]=4 461 B11R0.140 C=CCCNC(=O)C=COCC 240690a_100015191253_100016266692 [2,0,0,0,0,0|2,0,0]=4 462 B11R0.140 C=CCNNC(=O)C=CCCC 22a_100020588587_100000212230 [2,0,0,0,0,0|2,0,0]=4 463 B11R0.140 C=COCCC(=O)C=CCCC 1458a_100000212230_100000039644 [2,0,0,0,0,0|1,0,1]=4 464 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [2,0,0,0,0,0|0,0,2]=4 465 B11R0.140 CC/C=C/CC(=O)NCCCC 11a_100000102301_100016274230 [2,0,0,0,0,0|1,0,1]=4 466 B11R0.140 CC/C=C/CC(=O)NCCCC 1626a_100000102301_100016274230 [2,0,0,0,0,0|1,0,1]=4 467 B11R0.140 CC/C=C/CC(=O)NCCCC 240690a_100000102301_100016274230 [2,0,0,0,0,0|1,0,1]=4 468 B11R0.140 CC/C=C/CC(=O)NCCCC 527a_100000102301_100016274230 [2,0,0,0,0,0|1,0,1]=4 469 B11R0.140 CC/C=C/CC(=O)NNCCC 22a_100000740057_100016274230 [2,0,0,0,0,0|2,0,0]=4 470 B11R0.140 CC/C=C\CC(=O)C#CCCC 1458a_200011218047_100103147603 [2,0,0,0,0,0|0,0,2]=4 471 B11R0.140 CC/C=C\CC(=O)C/C=C/CC 1458a_100016274230_100103147603 [2,0,0,0,0,0|0,0,2]=4 472 B11R0.140 CC/C=C\CC(=O)C=CCCC 1458a_100000212230_100103147603 [2,0,0,0,0,0|0,0,0]=2 473 B11R0.140 CC/C=C\CC(=O)C=CCOC 1458a_100016285016_100103147603 [2,0,0,0,0,0|1,0,0]=3 474 B11R0.140 CC/C=C\CC(=O)C=COCC 1458a_100016266692_100103147603 [2,0,0,0,0,0|1,0,0]=3 475 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [2,0,0,0,0,0|0,0,2]=4 476 B11R0.140 CC/C=C\CC(=O)COCCC 1458a_100000745993_100103147603 [2,0,0,0,0,0|1,0,1]=4 477 B11R0.140 CC/C=C\CC(=O)CSCCC 1458a_100000217233_100103147603 [2,0,0,0,0,0|1,0,1]=4 478 B11R0.140 CCC#CCC(=O)C=CCCC 1458a_100000212230_100009813939 [2,0,0,0,0,0|0,0,2]=4 479 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [2,0,0,0,0,0|0,0,1]=3 480 B11R0.140 CCCC=CC(=O)CCCCF 1458a_100000212230_100000729493 [2,0,0,0,0,0|1,0,1]=4 481 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [2,0,0,0,0,0|1,0,1]=4 482 B11R0.140 CCCC=CC(=O)CCCOC 1458a_100000212230_100000740836 [2,0,0,0,0,0|1,0,1]=4 483 B11R0.140 CCCC=CC(=O)CCOCC 1458a_100000212230_100011215890 [2,0,0,0,0,0|1,0,0]=3 484 B11R0.140 CCCC=CC(=O)CCSCC 1458a_100000212230_100000757381 [2,0,0,0,0,0|1,0,0]=3 485 B11R0.140 CCCC=CC(=O)NCCCC 11a_100000102301_100000212230 [2,0,0,0,0,0|1,0,0]=3 486 B11R0.140 CCCC=CC(=O)NCCCC 1626a_100000102301_100000212230 [2,0,0,0,0,0|1,0,0]=3 487 B11R0.140 CCCC=CC(=O)NCCCC 240690a_100000102301_100000212230 [2,0,0,0,0,0|1,0,0]=3 488 B11R0.140 CCCC=CC(=O)NCCCF 11a_100015189416_100000212230 [2,0,0,0,0,0|2,0,0]=4 489 B11R0.140 CCCC=CC(=O)NCCCF 1626a_100015189416_100000212230 [2,0,0,0,0,0|2,0,0]=4 490 B11R0.140 CCCC=CC(=O)NCCCF 240690a_100015189416_100000212230 [2,0,0,0,0,0|2,0,0]=4 491 B11R0.140 CCCC=CC(=O)NCCCO 240690a_100000182051_100000212230 [2,0,0,0,0,0|2,0,0]=4 492 B11R0.140 CCCC=CC(=O)NCCOC 1626a_100000209980_100000212230 [2,0,0,0,0,0|2,0,0]=4 493 B11R0.140 CCCC=CC(=O)NCCOC 240690a_100000209980_100000212230 [2,0,0,0,0,0|2,0,0]=4 494 B11R0.140 CCCC=CC(=O)NCCSC 11a_100020590264_100000212230 [2,0,0,0,0,0|2,0,0]=4 495 B11R0.140 CCCC=CC(=O)NCCSC 1626a_100020590264_100000212230 [2,0,0,0,0,0|2,0,0]=4 496 B11R0.140 CCCC=CC(=O)NCCSC 240690a_100020590264_100000212230 [2,0,0,0,0,0|2,0,0]=4 497 B11R0.140 CCCC=CC(=O)NNCCC 22a_100000740057_100000212230 [2,0,0,0,0,0|2,0,0]=4 498 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [2,0,0,0,0,0|1,0,1]=4 499 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [2,0,0,0,0,0|1,0,1]=4 500 B11R0.140 CCCCNC(=O)C=CCOC 11a_100000102301_100016285016 [2,0,0,0,0,0|2,0,0]=4 501 B11R0.140 CCCCNC(=O)C=CCOC 1626a_100000102301_100016285016 [2,0,0,0,0,0|2,0,0]=4 502 B11R0.140 CCCCNC(=O)C=CCOC 240690a_100000102301_100016285016 [2,0,0,0,0,0|2,0,0]=4 503 B11R0.140 CCCCNC(=O)C=COCC 11a_100000102301_100016266692 [2,0,0,0,0,0|2,0,0]=4 504 B11R0.140 CCCCNC(=O)C=COCC 1626a_100000102301_100016266692 [2,0,0,0,0,0|2,0,0]=4 505 B11R0.140 CCCCNC(=O)C=COCC 240690a_100000102301_100016266692 [2,0,0,0,0,0|2,0,0]=4 506 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [2,0,0,0,0,0|1,0,1]=4 507 B11R0.140 CCCCOC(=O)CSCCC 62a_100000210303_100000211628 [2,0,0,0,0,0|1,0,1]=4 508 B11R0.140 CCCCOC(=O)CSCCC 62a_100000211628_100000210303 [2,0,0,0,0,0|1,0,1]=4 509 B11R0.140 CCOC=CC(=O)CCOCC 1458a_100016266692_100011215890 [2,0,0,0,0,0|2,0,0]=4 510 B11R0.140 CCOC=CC(=O)CCSCC 1458a_100016266692_100000757381 [2,0,0,0,0,0|2,0,0]=4 511 B11R0.140 CCOCCC(=O)C=CCOC 1458a_100016285016_100011215890 [2,0,0,0,0,0|2,0,0]=4 512 B11R0.140 CCSCCC(=O)C=CCOC 1458a_100016285016_100000757381 [2,0,0,0,0,0|2,0,0]=4 513 B11R0.4 C/C=C/C(C)OCC/C=C\CC 34a_200102604097_100015370543 [2,0,0,0,0,0|1,0,1]=4 514 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100000764384_100015370543 [2,0,0,0,0,0|1,0,1]=4 515 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100016288707_100000766640 [2,0,0,0,0,0|1,0,1]=4 516 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100000764384_100015370543 [2,0,0,0,0,0|1,0,1]=4 517 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100016288707_100000766640 [2,0,0,0,0,0|1,0,1]=4 518 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [2,0,0,0,0,0|2,0,0]=4 519 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [2,0,0,0,0,0|2,0,0]=4 520 B13R0.2 CC/C=C\CCOCOC(=O)CCC 34a_100016288707_100000034017 [1,1,0,0,0,0|1,0,1]=4 521 B13R0.2 CCC/C=C/COCCC(=O)NCC 7a_100016278788_100000737597 [1,1,0,0,0,0|1,0,1]=4 522 B13R0.2 CCC/C=C/COCCC(=O)OCC 34a_100016278788_100000765890 [1,1,0,0,0,0|1,0,1]=4 523 B13R0.2 CCC/C=C/COCCC(=O)OCC 7a_100016278788_100011206558 [1,1,0,0,0,0|1,0,1]=4 524 B13R0.66 CC/C=C\CCOCC(=O)NCCC 34a_100016288707_100000183358 [1,1,0,0,0,0|1,0,1]=4 525 B13R0.66 CC/C=C\CCOCC(=O)NCCC 7a_100016288707_100000183358 [1,1,0,0,0,0|1,0,1]=4 526 B13R0.66 CC/C=C\CCOCC(=O)OCCC 34a_100016288707_200011215008 [1,1,0,0,0,0|1,0,1]=4 527 B13R0.66 CC/C=C\CCOCC(=O)OCCC 7a_100016288707_200011215008 [1,1,0,0,0,0|1,0,1]=4 528 B13R0.165 CC/C=C\CCC(=O)C/C=C/CCC 1458a_200016266809_100015370543 [1,1,0,0,0,0|1,0,1]=4 529 B13R0.165 CC/C=C\CCC(=O)C=CCCCC 1458a_100016266645_100015370543 [1,1,0,0,0,0|1,0,1]=4 530 B13R0.336 CC/C=C/CCC=CC=NNCCC 4a_100000740057_100016288392 [1,1,0,0,0,0|2,0,0]=4 531 B13R0.336 CC/C=C\CCOC/C=C/CCCC 34a_200016272032_100015370543 [1,1,0,0,0,0|0,0,1]=3 532 B13R0.336 CC/C=C\CCOC/C=C/CCCC 7a_200016272032_100015370543 [1,1,0,0,0,0|0,0,1]=3 533 B13R0.336 CC/C=C\COC/C=C/C=C/CCC 34a_100016294078_100103147603 [1,1,0,0,0,0|1,0,0]=3 534 B13R0.336 CC/C=C\COCC/C=C\CCCC 34a_200016286491_100103147603 [1,1,0,0,0,0|1,0,1]=4 535 B13R0.336 CC/C=C\COCC/C=C\CCCC 7a_200016286491_100103147603 [1,1,0,0,0,0|1,0,1]=4 536 B13R0.1 CC/C=C\CCC(=O)C/C=C/C(C)C 1458a_100016292215_100015370543 [1,1,0,0,0,0|0,0,2]=4 537 B13R0.1 CC/C=C\CCC(=O)C=CCN(C)C 1458a_100000754359_100015370543 [1,1,0,0,0,0|1,0,0]=3 538 B13R0.1 CC/C=C\CCC(=O)CCCC(C)C 1458a_100011216857_100015370543 [1,1,0,0,0,0|0,0,2]=4 539 B13R0.1 CC/C=C\CCC(=O)COCC(C)C 1458a_100011223364_100015370543 [1,1,0,0,0,0|1,0,1]=4 540 B13R0.188 CCCC=CC(=O)CCCCC(=O)C 1458a_100000212230_100000735457 [1,1,0,0,0,0|1,0,1]=4 541 B13R0.188 CCCC=CC(=O)CCCCC(C)C 1458a_100000212230_100011216152 [1,1,0,0,0,0|0,0,2]=4 542 B13R0.188 CCCC=CC(=O)CCCOC(=O)C 1458a_100000212230_100000042594 [1,1,0,0,0,0|2,0,0]=4 543 B13R0.188 CCCC=CC(=O)CCCOC(=S)C 1458a_100000212230_200135323944 [1,1,0,0,0,0|2,0,0]=4 544 B13R0.188 CCCC=CC(=O)CCCSC(=O)C 1458a_100000212230_100000038929 [1,1,0,0,0,0|2,0,0]=4 545 B13R0.188 CCCC=CC(=O)NCCCC(C)C 11a_200000737386_100000212230 [1,1,0,0,0,0|1,0,1]=4 546 B13R0.188 CCCC=CC(=O)NCCCC(C)C 1626a_200000737386_100000212230 [1,1,0,0,0,0|1,0,1]=4 547 B13R0.188 CCCC=CC(=O)NCCCC(C)C 240690a_200000737386_100000212230 [1,1,0,0,0,0|1,0,1]=4 548 B13R0.188 CCCC=CC(=O)NCCNC(=O)C 240690a_100000209853_100000212230 [1,1,0,0,0,0|2,0,0]=4 549 B13R0.188 CCCC=CC(=O)NCCOC(=O)C 11a_100000724843_100000212230 [1,1,0,0,0,0|2,0,0]=4 550 B13R0.188 CCCC=CC(=O)NCCOC(=O)C 240690a_100000724843_100000212230 [1,1,0,0,0,0|2,0,0]=4 551 B13R0.188 CCCC=CC(=O)NCCOC(C)C 11a_100000701111_100000212230 [1,1,0,0,0,0|2,0,0]=4 552 B13R0.188 CCCC=CC(=O)NCCOC(C)C 1626a_100000701111_100000212230 [1,1,0,0,0,0|2,0,0]=4 553 B13R0.188 CCCC=CC(=O)NCCOC(C)C 240690a_100000701111_100000212230 [1,1,0,0,0,0|2,0,0]=4 554 B13R0.188 CCCC=CC(=O)NCCSC(=O)C 11a_100020647217_100000212230 [1,1,0,0,0,0|2,0,0]=4 555 B13R0.188 CCCC=CC(=O)NCCSC(=O)C 240690a_100020647217_100000212230 [1,1,0,0,0,0|2,0,0]=4 556 B13R0.188 CCCC=CC(=O)NCCSC(C)C 11a_100000731138_100000212230 [1,1,0,0,0,0|2,0,0]=4 557 B13R0.188 CCCC=CC(=O)NCCSC(C)C 1626a_100000731138_100000212230 [1,1,0,0,0,0|2,0,0]=4 558 B13R0.188 CCCC=CC(=O)NCCSC(C)C 240690a_100000731138_100000212230 [1,1,0,0,0,0|2,0,0]=4 559 B13R0.193 CCCC=CC(=O)COC(=O)CCC 1458a_100000212230_100000034017 [1,1,0,0,0,0|1,0,1]=4 560 B13R0.193 CCCC=CC(=O)NCC(=O)NCC 11a_100016988866_100000212230 [1,1,0,0,0,0|2,0,0]=4 561 B13R0.193 CCCC=CC(=O)NCC(=O)NCC 1626a_100016988866_100000212230 [1,1,0,0,0,0|2,0,0]=4 562 B13R0.193 CCCC=CC(=O)NCC(=O)NCC 240690a_100016988866_100000212230 [1,1,0,0,0,0|2,0,0]=4 563 B13R0.193 CCCC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000212230 [1,1,0,0,0,0|2,0,0]=4 564 B13R0.194 CCCC=CC(=O)CCCC(=O)NC 1458a_100000212230_100000741757 [1,1,0,0,0,0|1,0,1]=4 565 B13R0.194 CCCC=CC(=O)CCCC(=O)OC 1458a_100000212230_100011218270 [1,1,0,0,0,0|1,0,1]=4 566 B13R0.194 CCCC=CC(=O)CCCN(C)CC 1458a_100000212230_100015186262 [1,1,0,0,0,0|1,0,1]=4 567 B13R0.194 CCCC=CC(=O)CCOC(=O)NC 1458a_100000212230_200011997002 [1,1,0,0,0,0|2,0,0]=4 568 B13R0.194 CCCC=CC(=O)NCCC(=O)NC 11a_100000738227_100000212230 [1,1,0,0,0,0|2,0,0]=4 569 B13R0.194 CCCC=CC(=O)NCCC(=O)NC 240690a_100000738227_100000212230 [1,1,0,0,0,0|2,0,0]=4 570 B13R0.194 CCCC=CC(=O)NCCC(=O)OC 188690a_100000683876_100000212230 [1,1,0,0,0,0|2,0,0]=4 571 B13R0.194 CCCC=CC(=O)NCCC(C)CC 11a_100020591266_100000212230 [1,1,0,0,0,0|1,0,1]=4 572 B13R0.194 CCCC=CC(=O)NCCC(C)CC 1626a_100020591266_100000212230 [1,1,0,0,0,0|1,0,1]=4 573 B13R0.194 CCCC=CC(=O)NCCC(C)CC 240690a_100020591266_100000212230 [1,1,0,0,0,0|1,0,1]=4 574 B13R0.195 CCCC=CC(=O)NC(C)CCCC 11a_100000126638_100000212230 [1,1,0,0,0,0|1,0,1]=4 575 B13R0.195 CCCC=CC(=O)NC(C)CCCC 1626a_100000126638_100000212230 [1,1,0,0,0,0|1,0,1]=4 576 B13R0.195 CCCC=CC(=O)NC(C)CCCC 240690a_100000126638_100000212230 [1,1,0,0,0,0|1,0,1]=4 577 B13R0.330 C=C(CCC)CC(=O)CC/C=C\CC 1458a_100000138376_100015370543 [1,1,0,0,0,0|0,0,1]=3 578 B13R0.330 CC/C=C\CCC(=O)C=C(C)CCC 1458a_100020676950_100015370543 [1,1,0,0,0,0|0,0,0]=2 579 B13R0.330 CC/C=C\CCC(=O)CC(=O)OCC 1458a_100000243816_100015370543 [1,1,0,0,0,0|1,0,1]=4 580 B13R0.330 CC/C=C\CCC(=O)CC(C)CCC 1458a_100000748435_100015370543 [1,1,0,0,0,0|0,0,2]=4 581 B13R0.330 CC/C=C\CCC(=O)CS(=O)CCC 1458a_100011387404_100015370543 [1,1,0,0,0,0|1,0,1]=4 582 B13R0.330 CCCC(=CC(=O)CCCOCC)C 1458a_100020676950_100012232248 [1,1,0,0,0,0|1,0,1]=4 583 B13R0.330 CCCC(=CC(=O)NCCOCC)C 11a_100011200944_100020676950 [1,1,0,0,0,0|2,0,0]=4 584 B13R0.330 CCCC(=CC(=O)NCCOCC)C 1626a_102516460346_100020676950 [1,1,0,0,0,0|2,0,0]=4 585 B13R0.330 CCCC(=CC(=O)NCCOCC)C 240690a_100011200944_100020676950 [1,1,0,0,0,0|2,0,0]=4 586 B13R0.330 CCCC(=CC(=O)NCCSCC)C 11a_100000106463_100020676950 [1,1,0,0,0,0|2,0,0]=4 587 B13R0.330 CCCC(=CC(=O)NCCSCC)C 1626a_100000106463_100020676950 [1,1,0,0,0,0|2,0,0]=4 588 B13R0.330 CCCC(=CC(=O)NCCSCC)C 240690a_100000106463_100020676950 [1,1,0,0,0,0|2,0,0]=4 589 B13R0.330 CCCC(=O)CC(=O)OCCOCC 1458a_100000211992_200000101388 [1,1,0,0,0,0|1,0,1]=4 590 B13R0.330 CCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210757 [1,1,0,0,0,0|0,0,2]=4 591 B13R0.330 CCCCCNC(=O)C=C(C)CCC 11a_100000209983_100020676950 [1,1,0,0,0,0|1,0,1]=4 592 B13R0.330 CCCCCNC(=O)C=C(C)CCC 1626a_100000209983_100020676950 [1,1,0,0,0,0|1,0,1]=4 593 B13R0.330 CCCCCNC(=O)C=C(C)CCC 240690a_100000209983_100020676950 [1,1,0,0,0,0|1,0,1]=4 594 B13R0.330 CCCOCCC(=O)C=C(C)CCC 1458a_100020676950_100011215938 [1,1,0,0,0,0|1,0,1]=4 595 B13R0.398 CCCC=CC(=O)C(C)CCCCC 1458a_100000212230_200011218191 [1,1,0,0,0,0|0,0,2]=4 596 B13R0.398 CCCC=CC(=O)N(C)CCCCC 11a_100000223495_100000212230 [1,1,0,0,0,0|1,0,1]=4 597 B13R0.398 CCCC=CC(=O)N(C)CCCCC 1626a_100000223495_100000212230 [1,1,0,0,0,0|1,0,1]=4 598 B13R0.398 CCCC=CC(=O)N(C)CCCCC 240690a_100000223495_100000212230 [1,1,0,0,0,0|1,0,1]=4 599 B13R0.1170 CC/C=C\CCC(=O)C=CC(=O)NC 1458a_100016259477_100015370543 [1,1,0,0,0,0|1,0,1]=4 600 B13R0.1170 CC/C=C\CCC(=O)CCC(C)CC 1458a_100000701222_100015370543 [1,1,0,0,0,0|0,0,2]=4 601 B13R0.1170 CC=C(C)C=CC(=O)CC/C=C\CC 1458a_100000692105_100015370543 [1,1,0,0,0,0|0,0,2]=4 602 B13R0.1171 CC/C=C\CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100015370543 [1,1,0,0,0,0|0,0,0]=2 603 B13R0.1171 CC/C=C\CCC(=O)C(=O)NCCC 1458a_200011297150_100015370543 [1,1,0,0,0,0|1,0,0]=3 604 B13R0.1171 CC/C=C\CCC(=O)C(C)CCCC 1458a_100000725509_100015370543 [1,1,0,0,0,0|0,0,2]=4 605 B13R0.1171 CC/C=C\CCC(=O)C(O)CCCC 1458a_100000720857_100015370543 [1,1,0,0,0,0|0,0,2]=4 606 B13R0.1171 CCC/C=C(\C)/C(=O)CCCCCC 1458a_200020648666_100000210757 [1,1,0,0,0,0|0,0,2]=4 607 B13R0.1171 CCC/C=C(\C)/C(=O)CCCOCC 1458a_200020648666_100012232248 [1,1,0,0,0,0|1,0,1]=4 608 B13R0.1171 CCC/C=C(\C)/C(=O)CCOCCC 1458a_200020648666_100011215938 [1,1,0,0,0,0|1,0,1]=4 609 B13R0.1171 CCC/C=C(\C)/C(=O)NCCCCC 11a_100000209983_200020648666 [1,1,0,0,0,0|1,0,1]=4 610 B13R0.1171 CCC/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_200020648666 [1,1,0,0,0,0|1,0,1]=4 611 B13R0.1171 CCC/C=C(\C)/C(=O)NCCCCC 240690a_100000209983_200020648666 [1,1,0,0,0,0|1,0,1]=4 612 B13R0.1171 CCC/C=C(\C)/C(=O)NCCOCC 11a_100011200944_200020648666 [1,1,0,0,0,0|2,0,0]=4 613 B13R0.1171 CCC/C=C(\C)/C(=O)NCCOCC 1626a_102516460346_200020648666 [1,1,0,0,0,0|2,0,0]=4 614 B13R0.1171 CCC/C=C(\C)/C(=O)NCCOCC 240690a_100011200944_200020648666 [1,1,0,0,0,0|2,0,0]=4 615 B13R0.1171 CCC/C=C(\C)/C(=O)NCCSCC 11a_100000106463_200020648666 [1,1,0,0,0,0|2,0,0]=4 616 B13R0.1171 CCC/C=C(\C)/C(=O)NCCSCC 1626a_100000106463_200020648666 [1,1,0,0,0,0|2,0,0]=4 617 B13R0.1171 CCC/C=C(\C)/C(=O)NCCSCC 240690a_100000106463_200020648666 [1,1,0,0,0,0|2,0,0]=4 618 B13R0.113 CCC=CC(=O)NCCNC(=O)CC 11a_100132302217_100000212282 [1,1,0,0,0,0|2,0,0]=4 619 B13R0.113 CCC=CC(=O)NCCNC(=O)CC 1626a_100132302217_100000212282 [1,1,0,0,0,0|2,0,0]=4 620 B13R0.113 CCC=CC(=O)NCCNC(=O)CC 240690a_100132302217_100000212282 [1,1,0,0,0,0|2,0,0]=4 621 B13R0.175 CCC=CC(=O)CCCC(=O)OCC 1458a_100000212282_100011215271 [1,1,0,0,0,0|2,0,0]=4 622 B13R0.175 CCC=CC(=O)NCCC(=O)NCC 11a_100025743525_100000212282 [1,1,0,0,0,0|2,0,0]=4 623 B13R0.175 CCC=CC(=O)NCCC(=O)NCC 1626a_100025743525_100000212282 [1,1,0,0,0,0|2,0,0]=4 624 B13R0.175 CCC=CC(=O)NCCC(=O)NCC 240690a_100025743525_100000212282 [1,1,0,0,0,0|2,0,0]=4 625 B13R0.176 CCC=CC(=O)COC(=O)OCCC 1458a_100000212282_200000139673 [1,1,0,0,0,0|1,0,1]=4 626 B13R0.275 CC/C=C\CCOC(=O)C(C)OCC 34a_200020655201_100000210202 [1,1,0,0,0,0|1,0,1]=4 627 B13R0.275 CC/C=C\CCOC(=O)C(C)OCC 7a_200020655201_100000210202 [1,1,0,0,0,0|1,0,1]=4 628 B15R0.132 CC/C=C\CCOC(=O)C(=NNC(C)C)C 4a_100000741168_200020667342 [0,2,0,0,0,0|2,0,0]=4 629 B15R0.132 CC/C=C\CCOC(=O)C(C)OCC(C)C 34a_200020655201_100000210624 [0,2,0,0,0,0|1,0,1]=4 630 B15R0.132 CC/C=C\CCOC(=O)C(C)OCC(C)C 7a_200020655201_100000210760 [0,2,0,0,0,0|1,0,1]=4 631 B15R0.132 CC/C=C\CCOC(=O)C(C)OCC(C)O 34a_200020655201_100011218427 [0,2,0,0,0,0|1,0,1]=4 632 B15R0.132 CC/C=C\CCOC(=O)C(C)OCC(C)O 7a_200020655201_100011218427 [0,2,0,0,0,0|1,0,1]=4 633 B15R0.132 CC/C=C\CCOC(=O)C(C)OC[C@@H](C)O 34a_200020655201_100009817552 [0,2,0,0,0,0|1,0,1]=4 634 B15R0.132 CC/C=C\CCOC(=O)C(C)OC[C@@H](C)O 7a_200020655201_100009817552 [0,2,0,0,0,0|1,0,1]=4 635 B15R0.235 CCCC=CC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000212230 [0,2,0,0,0,0|2,0,0]=4 636 B15R0.370 CC/C=C\CCOCC(=CC(=O)OCC)C 34a_100016288707_100135422193 [0,2,0,0,0,0|2,0,0]=4 637 B15R0.370 CC/C=C\CCOCC(=CC(=O)OCC)C 7a_100016288707_100135422193 [0,2,0,0,0,0|2,0,0]=4 638 B15R0.370 CC/C=C\CCOCC(=O)NC(=O)NCC 7a_100016288707_100000183762 [0,2,0,0,0,0|2,0,0]=4 639 B15R0.370 CC/C=C\CCOCC(=O)NC(=O)OCC 7a_100016288707_100000010344 [0,2,0,0,0,0|2,0,0]=4 640 B15R0.395 CCCC(=CC(=O)NCCNC(=O)CC)C 11a_100132302217_100020676950 [0,2,0,0,0,0|2,0,0]=4 641 B15R0.395 CCCC(=CC(=O)NCCNC(=O)CC)C 1626a_100132302217_100020676950 [0,2,0,0,0,0|2,0,0]=4 642 B15R0.395 CCCC(=CC(=O)NCCNC(=O)CC)C 240690a_100132302217_100020676950 [0,2,0,0,0,0|2,0,0]=4 643 B15R0.410 CCCC(=CC(=O)CCCC(=O)OCC)C 1458a_100020676950_100011215271 [0,2,0,0,0,0|2,0,0]=4 644 B15R0.410 CCCC(=CC(=O)NCCC(=O)NCC)C 11a_100025743525_100020676950 [0,2,0,0,0,0|2,0,0]=4 645 B15R0.410 CCCC(=CC(=O)NCCC(=O)NCC)C 1626a_100025743525_100020676950 [0,2,0,0,0,0|2,0,0]=4 646 B15R0.410 CCCC(=CC(=O)NCCC(=O)NCC)C 240690a_100025743525_100020676950 [0,2,0,0,0,0|2,0,0]=4 647 B15R0.410 CCCC(=CC(=O)NCCC(=O)OCC)C 188690a_100000746078_100020676950 [0,2,0,0,0,0|2,0,0]=4 648 B15R0.85 CC/C=C\CCOC(=O)C(C)OC(C)CC 34a_200020655201_100011215416 [0,2,0,0,0,0|1,0,1]=4 649 B15R0.85 CC/C=C\CCOC(=O)C(C)OC(C)CC 7a_200020655201_100000758301 [0,2,0,0,0,0|1,0,1]=4 650 B15R0.18 CCC/C=C/CC(=O)CCCC(=O)OCC 1458a_200016266809_100011215271 [0,2,0,0,0,0|2,0,0]=4 651 B15R0.18 CCC/C=C/CC(=O)NCCC(=O)NCC 11a_100025743525_200016266809 [0,2,0,0,0,0|2,0,0]=4 652 B15R0.18 CCC/C=C/CC(=O)NCCC(=O)NCC 1626a_100025743525_200016266809 [0,2,0,0,0,0|2,0,0]=4 653 B15R0.18 CCC/C=C/CC(=O)NCCC(=O)NCC 240690a_100025743525_200016266809 [0,2,0,0,0,0|2,0,0]=4 654 B15R0.18 CCC/C=C/CC(=O)NCCC(=O)NCC 527a_100025743525_200016266809 [0,2,0,0,0,0|2,0,0]=4 655 B15R0.18 CCC/C=C/CC(=O)NCCC(=O)OCC 188690a_100000746078_200016266809 [0,2,0,0,0,0|2,0,0]=4 656 B15R0.18 CCCCC=CC(=O)CCCC(=O)OCC 1458a_100016266645_100011215271 [0,2,0,0,0,0|2,0,0]=4 657 B15R0.18 CCCCC=CC(=O)NCCC(=O)NCC 11a_100025743525_100016266645 [0,2,0,0,0,0|2,0,0]=4 658 B15R0.18 CCCCC=CC(=O)NCCC(=O)NCC 1626a_100025743525_100016266645 [0,2,0,0,0,0|2,0,0]=4 659 B15R0.18 CCCCC=CC(=O)NCCC(=O)NCC 240690a_100025743525_100016266645 [0,2,0,0,0,0|2,0,0]=4 660 B15R0.18 CCCCC=CC(=O)NCCC(=O)OCC 188690a_100000746078_100016266645 [0,2,0,0,0,0|2,0,0]=4 661 B15R0.149 CC/C=C\CCOCC(=O)NCCCCC 34a_100016288707_100000230301 [0,2,0,0,0,0|0,0,2]=4 662 B15R0.149 CC/C=C\CCOCC(=O)NCCCCC 7a_100016288707_100000230301 [0,2,0,0,0,0|0,0,2]=4 663 B15R0.149 CC/C=C\CCOCC(=O)NCCCOC 34a_100016288707_100000183178 [0,2,0,0,0,0|1,0,1]=4 664 B15R0.149 CC/C=C\CCOCC(=O)NCCCOC 7a_100016288707_100000183178 [0,2,0,0,0,0|1,0,1]=4 665 B15R0.149 CC/C=C\CCOCC(=O)OCCOCC 34a_100016288707_200000101388 [0,2,0,0,0,0|1,0,1]=4 666 B15R0.149 CC/C=C\CCOCC(=O)OCCOCC 7a_100016288707_200000101388 [0,2,0,0,0,0|1,0,1]=4 667 B15R0.189 CCC/C=C/CC(=O)NCCNC(=O)CC 11a_100132302217_200016266809 [0,2,0,0,0,0|2,0,0]=4 668 B15R0.189 CCC/C=C/CC(=O)NCCNC(=O)CC 1626a_100132302217_200016266809 [0,2,0,0,0,0|2,0,0]=4 669 B15R0.189 CCC/C=C/CC(=O)NCCNC(=O)CC 240690a_100132302217_200016266809 [0,2,0,0,0,0|2,0,0]=4 670 B15R0.189 CCC/C=C/CC(=O)NCCNC(=O)CC 527a_100132302217_200016266809 [0,2,0,0,0,0|2,0,0]=4 671 B15R0.189 CCCCC=CC(=O)NCCNC(=O)CC 11a_100132302217_100016266645 [0,2,0,0,0,0|2,0,0]=4 672 B15R0.189 CCCCC=CC(=O)NCCNC(=O)CC 1626a_100132302217_100016266645 [0,2,0,0,0,0|2,0,0]=4 673 B15R0.189 CCCCC=CC(=O)NCCNC(=O)CC 240690a_100132302217_100016266645 [0,2,0,0,0,0|2,0,0]=4 674 B15R0.1556 CC/C=C\CCOC(=O)C(=NNCCC)C 4a_100000740057_200020667342 [0,2,0,0,0,0|1,0,0]=3 675 B15R0.1556 CC/C=C\CCOC(=O)C(=NNCCO)C 4a_100000210001_200020667342 [0,2,0,0,0,0|2,0,0]=4 676 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCCC 34a_200020655201_100000210210 [0,2,0,0,0,0|0,0,2]=4 677 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCCC 7a_200020655201_100000210211 [0,2,0,0,0,0|0,0,2]=4 678 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCCF 34a_200020655201_100011934791 [0,2,0,0,0,0|1,0,1]=4 679 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCCF 7a_200020655201_100011934791 [0,2,0,0,0,0|1,0,1]=4 680 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCCO 34a_200020655201_100000230001 [0,2,0,0,0,0|1,0,1]=4 681 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCCO 7a_200020655201_100011215043 [0,2,0,0,0,0|1,0,1]=4 682 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCOC 34a_200020655201_100011201679 [0,2,0,0,0,0|1,0,1]=4 683 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCOC 7a_200020655201_100000233755 [0,2,0,0,0,0|1,0,1]=4 684 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCSC 34a_200020655201_100000212216 [0,2,0,0,0,0|1,0,1]=4 685 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCSC 7a_200020655201_100000212216 [0,2,0,0,0,0|1,0,1]=4 686 B15R0.1556 CC/C=C\CCOC(C)C(=O)NCCCC 34a_100016288707_100000735917 [0,2,0,0,0,0|1,0,1]=4 687 B15R0.1556 CC/C=C\CCOC(C)C(=O)NCCCC 7a_100016288707_100000735917 [0,2,0,0,0,0|1,0,1]=4 688 B15R0.1556 CC/C=C\CCOC(C)C(=O)OCCCC 34a_100000038973_100015370543 [0,2,0,0,0,0|1,0,1]=4 689 B15R0.1556 CC/C=C\CCOC(C)C(=O)OCCCC 34a_100016288707_100000759602 [0,2,0,0,0,0|1,0,1]=4 690 B15R0.1556 CC/C=C\CCOC(C)C(=O)OCCCC 7a_100000038973_100015370543 [0,2,0,0,0,0|1,0,1]=4 691 B15R0.1556 CC/C=C\CCOC(C)C(=O)OCCCC 7a_100016288707_100000759602 [0,2,0,0,0,0|1,0,1]=4 692 B15R0.244 CCCC=CC(=O)CCCCC(=O)OCC 1458a_100000212230_100000750268 [0,2,0,0,0,0|1,0,1]=4 693 B15R0.244 CCCC=CC(=O)CCOCC(=O)OCC 1458a_100000212230_100000088970 [0,2,0,0,0,0|2,0,0]=4 694 B15R0.244 CCCC=CC(=O)NCCCC(=O)OCC 188690a_100000211256_100000212230 [0,2,0,0,0,0|1,0,1]=4 695 B15R0.322 CC/C=C/CCCOCC(=O)CCCCC 34a_100016287902_200012276598 [0,2,0,0,0,0|0,0,2]=4 696 B15R0.322 CC/C=C/CCCOCC(=O)CCCCC 7a_100016287902_200012276598 [0,2,0,0,0,0|0,0,2]=4 697 B15R0.322 CC/C=C/CCCOCC(=O)NCCCC 34a_100016287902_100000182744 [0,2,0,0,0,0|1,0,1]=4 698 B15R0.322 CC/C=C/CCCOCC(=O)NCCCC 7a_100016287902_100000182744 [0,2,0,0,0,0|1,0,1]=4 699 B15R0.322 CC/C=C/CCCOCC(=O)OCCCC 34a_100016287902_100000211628 [0,2,0,0,0,0|1,0,1]=4 700 B15R0.322 CC/C=C/CCCOCC(=O)OCCCC 7a_100016287902_100000211628 [0,2,0,0,0,0|1,0,1]=4 701 B15R0.2406 CC/C=C\CCOCC(=O)N(C)CCCC 34a_100016288707_100000230175 [0,2,0,0,0,0|1,0,1]=4 702 B15R0.2406 CC/C=C\CCOCC(=O)N(C)CCCC 7a_100016288707_100000230175 [0,2,0,0,0,0|1,0,1]=4 703 B15R0.3180 CCCC=CC(=O)CCCC(=O)NCCC 1458a_100000212230_100011194427 [0,2,0,0,0,0|1,0,1]=4 704 B15R0.49 CCC/C=C(\C)/C(=O)NCCNC(=O)CC 11a_100132302217_200020648666 [0,2,0,0,0,0|2,0,0]=4 705 B15R0.49 CCC/C=C(\C)/C(=O)NCCNC(=O)CC 1626a_100132302217_200020648666 [0,2,0,0,0,0|2,0,0]=4 706 B15R0.49 CCC/C=C(\C)/C(=O)NCCNC(=O)CC 240690a_100132302217_200020648666 [0,2,0,0,0,0|2,0,0]=4 707 B15R0.238 CCCC=CC(=O)NCCNC(=O)C(C)C 11a_100000752568_100000212230 [0,2,0,0,0,0|2,0,0]=4 708 B15R0.238 CCCC=CC(=O)NCCNC(=O)C(C)C 240690a_100000752568_100000212230 [0,2,0,0,0,0|2,0,0]=4 709 B15R0.60 CCC/C=C(\C)/C(=O)CCCC(=O)OCC 1458a_200020648666_100011215271 [0,2,0,0,0,0|2,0,0]=4 710 B15R0.60 CCC/C=C(\C)/C(=O)NCCC(=O)NCC 11a_100025743525_200020648666 [0,2,0,0,0,0|2,0,0]=4 711 B15R0.60 CCC/C=C(\C)/C(=O)NCCC(=O)NCC 1626a_100025743525_200020648666 [0,2,0,0,0,0|2,0,0]=4 712 B15R0.60 CCC/C=C(\C)/C(=O)NCCC(=O)NCC 240690a_100025743525_200020648666 [0,2,0,0,0,0|2,0,0]=4 713 B15R0.60 CCC/C=C(\C)/C(=O)NCCC(=O)OCC 188690a_100000746078_200020648666 [0,2,0,0,0,0|2,0,0]=4 714 B15R0.2140 CCCC=CC(=O)C(C)CCC(=O)OCC 1458a_100000212230_100000748298 [0,2,0,0,0,0|2,0,0]=4 715 B15R0.2140 CCCC=CC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000212230 [0,2,0,0,0,0|2,0,0]=4 716 B15R0.2140 CCCC=CC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000212230 [0,2,0,0,0,0|2,0,0]=4 717 B15R0.2140 CCCC=CC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000212230 [0,2,0,0,0,0|2,0,0]=4 718 B13R1.28 CC/C=C\CCOC1C=CCCC1 34a_100011215024_100015370543 [1,0,0,1,0,0|0,0,1]=3 719 B13R1.28 CC/C=C\CCOC1C=CCCC1 7a_100016288707_100000751183 [1,0,0,1,0,0|0,0,1]=3 720 B13R1.28 CC/C=C\CCSC1C=CCCC1 62a_100000751183_100015370543 [1,0,0,1,0,0|0,1,1]=4 721 B13R1.28 CC/C=C\CCSC1C=CCCC1 62a_100015370543_100000751183 [1,0,0,1,0,0|0,1,1]=4 722 B13R1.137 CC/C=C\CCN1CC=CC1CC 2230a_100000730860_100015370543 [1,0,0,1,0,0|1,0,1]=4 723 B13R1.137 CC/C=C\CCN1CC=CC1CC 269982a_100000730860_100015370543 [1,0,0,1,0,0|1,0,1]=4 724 B13R1.137 CC/C=C\CCN1CC=CC1CC 34a_100000730860_100015370543 [1,0,0,1,0,0|1,0,1]=4 725 B13R1.654 CC/C=C\CCOc1ccnn1C 34a_100020632926_100015370543 [1,0,0,1,0,0|2,0,0]=4 726 B13R1.24 CC/C=C\CC(=O)[C@H]1CC=CCC1 1458a_100009820709_100103147603 [1,0,0,1,0,0|0,0,2]=4 727 B13R1.24 CCCC=CC(=O)C1C=CCCC1 1458a_100000212230_100000751183 [1,0,0,1,0,0|0,0,2]=4 728 B13R1.24 CCCC=CC(=O)C1CCCCC1 1458a_100000212230_100000210327 [1,0,0,1,0,0|0,0,2]=4 729 B13R1.24 CCCC=CC(=O)C1CCCOC1 1458a_100000212230_100000693364 [1,0,0,1,0,0|1,0,1]=4 730 B13R1.24 CCCC=CC(=O)C1CCOCC1 1458a_100000212230_100011324220 [1,0,0,1,0,0|1,0,1]=4 731 B13R1.24 CCCC=CC(=O)N1CC=CCC1 11a_100000698166_100000212230 [1,0,0,1,0,0|1,0,0]=3 732 B13R1.24 CCCC=CC(=O)N1CC=CCC1 1626a_100000698166_100000212230 [1,0,0,1,0,0|1,0,0]=3 733 B13R1.24 CCCC=CC(=O)N1CC=CCC1 240690a_100000698166_100000212230 [1,0,0,1,0,0|1,0,0]=3 734 B13R1.24 CCCC=CC(=O)N1CCOCC1 11a_100015191051_100000212230 [1,0,0,1,0,0|2,0,0]=4 735 B13R1.24 CCCC=CC(=O)N1CCOCC1 1626a_100015191051_100000212230 [1,0,0,1,0,0|2,0,0]=4 736 B13R1.24 CCCC=CC(=O)N1CCOCC1 240690a_100015191051_100000212230 [1,0,0,1,0,0|2,0,0]=4 737 B13R1.24 CCCC=CC(=O)N1CCSCC1 11a_100000737611_100000212230 [1,0,0,1,0,0|2,0,0]=4 738 B13R1.24 CCCC=CC(=O)N1CCSCC1 240690a_100000737611_100000212230 [1,0,0,1,0,0|2,0,0]=4 739 B13R1.24 CCCCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210326 [1,0,0,1,0,0|0,0,2]=4 740 B13R1.24 CCCCNC(=O)[C@H]1CC=CCC1 11a_100000102301_100009820709 [1,0,0,1,0,0|1,0,1]=4 741 B13R1.24 CCCCNC(=O)[C@H]1CC=CCC1 1626a_100000102301_100009820709 [1,0,0,1,0,0|1,0,1]=4 742 B13R1.24 CCCCNC(=O)[C@H]1CC=CCC1 240690a_100000102301_100009820709 [1,0,0,1,0,0|1,0,1]=4 743 B13R1.24 CCCCNC(=O)[C@H]1CC=CCC1 527a_100000102301_100009820709 [1,0,0,1,0,0|1,0,1]=4 744 B13R1.24 CCCNNC(=O)[C@H]1CC=CCC1 22a_100000740057_100009820709 [1,0,0,1,0,0|2,0,0]=4 745 B13R1.24 CCOC=CC(=O)N1CC=CCC1 11a_100000698166_100016266692 [1,0,0,1,0,0|2,0,0]=4 746 B13R1.24 CCOC=CC(=O)N1CC=CCC1 1626a_100000698166_100016266692 [1,0,0,1,0,0|2,0,0]=4 747 B13R1.24 CCOC=CC(=O)N1CC=CCC1 240690a_100000698166_100016266692 [1,0,0,1,0,0|2,0,0]=4 748 B13R1.24 COCC=CC(=O)N1CC=CCC1 11a_100000698166_100016285016 [1,0,0,1,0,0|2,0,0]=4 749 B13R1.24 COCC=CC(=O)N1CC=CCC1 1626a_100000698166_100016285016 [1,0,0,1,0,0|2,0,0]=4 750 B13R1.24 COCC=CC(=O)N1CC=CCC1 240690a_100000698166_100016285016 [1,0,0,1,0,0|2,0,0]=4 751 B13R1.48 CC/C=C\CCC(=O)C1=CCCC1 1458a_100000038896_100015370543 [1,0,0,1,0,0|0,0,0]=2 752 B13R1.48 CC/C=C\CCC(=O)C1=CCOC1 1458a_100000139269_100015370543 [1,0,0,1,0,0|1,0,0]=3 753 B13R1.48 CC/C=C\CCC(=O)C1=COCC1 1458a_100000750620_100015370543 [1,0,0,1,0,0|1,0,0]=3 754 B13R1.48 CC/C=C\CCC(=O)C1CCCC1 1458a_100000210718_100015370543 [1,0,0,1,0,0|0,0,2]=4 755 B13R1.48 CC/C=C\CCC(=O)C1CCCS1 1458a_100012002731_100015370543 [1,0,0,1,0,0|1,0,1]=4 756 B13R1.48 CC/C=C\CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100015370543 [1,0,0,1,0,0|1,0,1]=4 757 B13R1.48 CCCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210757 [1,0,0,1,0,0|0,0,2]=4 758 B13R1.48 CCCCCNC(=O)C1=CCCC1 11a_100000209983_100000038896 [1,0,0,1,0,0|1,0,1]=4 759 B13R1.48 CCCCCNC(=O)C1=CCCC1 1626a_100000209983_100000038896 [1,0,0,1,0,0|1,0,1]=4 760 B13R1.48 CCCCCNC(=O)C1=CCCC1 240690a_100000209983_100000038896 [1,0,0,1,0,0|1,0,1]=4 761 B13R1.48 CCCOCCC(=O)C1=CCCC1 1458a_100000038896_100011215938 [1,0,0,1,0,0|1,0,1]=4 762 B13R1.48 CCOCCCC(=O)C1=CCCC1 1458a_100000038896_100012232248 [1,0,0,1,0,0|1,0,1]=4 763 B13R1.48 CCOCCNC(=O)C1=CCCC1 11a_100011200944_100000038896 [1,0,0,1,0,0|2,0,0]=4 764 B13R1.48 CCOCCNC(=O)C1=CCCC1 1626a_102516460346_100000038896 [1,0,0,1,0,0|2,0,0]=4 765 B13R1.48 CCOCCNC(=O)C1=CCCC1 240690a_100011200944_100000038896 [1,0,0,1,0,0|2,0,0]=4 766 B13R1.48 CCSCCNC(=O)C1=CCCC1 11a_100000106463_100000038896 [1,0,0,1,0,0|2,0,0]=4 767 B13R1.48 CCSCCNC(=O)C1=CCCC1 1626a_100000106463_100000038896 [1,0,0,1,0,0|2,0,0]=4 768 B13R1.48 CCSCCNC(=O)C1=CCCC1 240690a_100000106463_100000038896 [1,0,0,1,0,0|2,0,0]=4 769 B13R1.156 CC/C=C\CC(=O)CC1C=CCC1 1458a_100000212241_100103147603 [1,0,0,1,0,0|0,0,2]=4 770 B13R1.156 CCCC=CC(=O)CC1CCCC1 1458a_100000212230_100000740388 [1,0,0,1,0,0|0,0,2]=4 771 B13R1.156 CCCC=CC(=O)CC1CCCO1 1458a_100000212230_100000203698 [1,0,0,1,0,0|1,0,1]=4 772 B13R1.156 CCCC=CC(=O)CC1CCOC1 1458a_100000212230_100000702531 [1,0,0,1,0,0|1,0,1]=4 773 B13R1.156 CCCC=CC(=O)NC1CC=CC1 11a_100015188752_100000212230 [1,0,0,1,0,0|1,0,0]=3 774 B13R1.156 CCCC=CC(=O)NC1CC=CC1 1626a_100015188752_100000212230 [1,0,0,1,0,0|1,0,0]=3 775 B13R1.156 CCCC=CC(=O)NC1CC=CC1 240690a_100015188752_100000212230 [1,0,0,1,0,0|1,0,0]=3 776 B13R1.156 CCCC=CC(=O)NC1CCCC1 11a_100000211070_100000212230 [1,0,0,1,0,0|1,0,1]=4 777 B13R1.156 CCCC=CC(=O)NC1CCCC1 1626a_100000211070_100000212230 [1,0,0,1,0,0|1,0,1]=4 778 B13R1.156 CCCC=CC(=O)NC1CCCC1 240690a_100000211070_100000212230 [1,0,0,1,0,0|1,0,1]=4 779 B13R1.156 CCCC=CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000212230 [1,0,0,1,0,0|2,0,0]=4 780 B13R1.156 CCCC=CC(=O)N[C@H]1CCOC1 11a_100015188467_100000212230 [1,0,0,1,0,0|2,0,0]=4 781 B13R1.156 CCCC=CC(=O)N[C@H]1CCOC1 1626a_100015188467_100000212230 [1,0,0,1,0,0|2,0,0]=4 782 B13R1.156 CCCC=CC(=O)N[C@H]1CCOC1 240690a_100015188467_100000212230 [1,0,0,1,0,0|2,0,0]=4 783 B13R1.156 CCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210326 [1,0,0,1,0,0|0,0,2]=4 784 B13R1.156 CCCCNC(=O)CC1C=CCC1 11a_100000102301_100000212241 [1,0,0,1,0,0|1,0,1]=4 785 B13R1.156 CCCCNC(=O)CC1C=CCC1 1626a_100000102301_100000212241 [1,0,0,1,0,0|1,0,1]=4 786 B13R1.156 CCCCNC(=O)CC1C=CCC1 240690a_100000102301_100000212241 [1,0,0,1,0,0|1,0,1]=4 787 B13R1.156 CCCCNC(=O)CC1C=CCC1 527a_100000102301_100000212241 [1,0,0,1,0,0|1,0,1]=4 788 B13R1.156 CCCNNC(=O)CC1C=CCC1 22a_100000740057_100000212241 [1,0,0,1,0,0|2,0,0]=4 789 B13R1.156 CCOC=CC(=O)NC1CC=CC1 11a_100015188752_100016266692 [1,0,0,1,0,0|2,0,0]=4 790 B13R1.156 CCOC=CC(=O)NC1CC=CC1 1626a_100015188752_100016266692 [1,0,0,1,0,0|2,0,0]=4 791 B13R1.156 CCOC=CC(=O)NC1CC=CC1 240690a_100015188752_100016266692 [1,0,0,1,0,0|2,0,0]=4 792 B13R1.156 COCC=CC(=O)NC1CC=CC1 11a_100015188752_100016285016 [1,0,0,1,0,0|2,0,0]=4 793 B13R1.156 COCC=CC(=O)NC1CC=CC1 1626a_100015188752_100016285016 [1,0,0,1,0,0|2,0,0]=4 794 B13R1.156 COCC=CC(=O)NC1CC=CC1 240690a_100015188752_100016285016 [1,0,0,1,0,0|2,0,0]=4 795 B13R1.725 CCCC=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000212230 [1,0,0,1,0,0|1,0,1]=4 796 B13R1.725 CCCC=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000212230 [1,0,0,1,0,0|1,0,1]=4 797 B13R1.725 CCCC=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000212230 [1,0,0,1,0,0|1,0,1]=4 798 B13R1.725 CCCC=CC(=O)N1CCSC1C 11a_200011216479_100000212230 [1,0,0,1,0,0|2,0,0]=4 799 B13R1.725 CCCC=CC(=O)N1CCSC1C 1626a_200011216479_100000212230 [1,0,0,1,0,0|2,0,0]=4 800 B13R1.725 CCCC=CC(=O)N1CCSC1C 240690a_200011216479_100000212230 [1,0,0,1,0,0|2,0,0]=4 801 B13R1.728 CCCC=CC(=O)NCC1CCC1 11a_100000738700_100000212230 [1,0,0,1,0,0|1,0,1]=4 802 B13R1.728 CCCC=CC(=O)NCC1CCC1 1626a_100000738700_100000212230 [1,0,0,1,0,0|1,0,1]=4 803 B13R1.728 CCCC=CC(=O)NCC1CCC1 240690a_100000738700_100000212230 [1,0,0,1,0,0|1,0,1]=4 804 B13R1.728 CCCC=CC(=O)NC[C@@H]1CCO1 11a_100020831831_100000212230 [1,0,0,1,0,0|2,0,0]=4 805 B13R1.728 CCCC=CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000212230 [1,0,0,1,0,0|2,0,0]=4 806 B13R1.728 CCCC=CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000212230 [1,0,0,1,0,0|2,0,0]=4 807 B13R1.729 CCCC=CC(=O)NCCC1CC1 1626a_100000764129_100000212230 [1,0,0,1,0,0|1,0,1]=4 808 B13R1.729 CCCC=CC(=O)NCCC1CC1 240690a_100000764129_100000212230 [1,0,0,1,0,0|1,0,1]=4 809 B13R1.2914 CC/C=C\CCC(=O)C1CC1CC 1458a_200011661523_100015370543 [1,0,0,1,0,0|0,0,2]=4 810 B13R1.2916 CC/C=C\CCC(=O)C=C1CCC1 1458a_100000686340_100015370543 [1,0,0,1,0,0|0,0,0]=2 811 B13R1.2916 CC/C=C\CCC(=O)CC1CCC1 1458a_100000763092_100015370543 [1,0,0,1,0,0|0,0,2]=4 812 B13R1.2916 CCCCCCC(=O)C=C1CCC1 1458a_100000686340_100000210757 [1,0,0,1,0,0|0,0,2]=4 813 B13R1.2916 CCCCCNC(=O)C=C1CCC1 11a_100000209983_100000686340 [1,0,0,1,0,0|1,0,1]=4 814 B13R1.2916 CCCCCNC(=O)C=C1CCC1 240690a_100000209983_100000686340 [1,0,0,1,0,0|1,0,1]=4 815 B13R1.2916 CCCOCCC(=O)C=C1CCC1 1458a_100000686340_100011215938 [1,0,0,1,0,0|1,0,1]=4 816 B13R1.2916 CCOCCCC(=O)C=C1CCC1 1458a_100000686340_100012232248 [1,0,0,1,0,0|1,0,1]=4 817 B13R1.2916 CCOCCNC(=O)C=C1CCC1 11a_100011200944_100000686340 [1,0,0,1,0,0|2,0,0]=4 818 B13R1.2916 CCOCCNC(=O)C=C1CCC1 240690a_100011200944_100000686340 [1,0,0,1,0,0|2,0,0]=4 819 B13R1.2916 CCSCCNC(=O)C=C1CCC1 11a_100000106463_100000686340 [1,0,0,1,0,0|2,0,0]=4 820 B13R1.2916 CCSCCNC(=O)C=C1CCC1 240690a_100000106463_100000686340 [1,0,0,1,0,0|2,0,0]=4 821 B13R1.2917 CC/C=C\CCC(=O)C=CC1CC1 1458a_100102529529_100015370543 [1,0,0,1,0,0|0,0,0]=2 822 B13R1.2917 CC/C=C\CCC(=O)CCC1CC1 1458a_100000756386_100015370543 [1,0,0,1,0,0|0,0,2]=4 823 B13R1.2917 CCCCCCC(=O)C=CC1CC1 1458a_100102529529_100000210757 [1,0,0,1,0,0|0,0,2]=4 824 B13R1.2917 CCCCCNC(=O)C=CC1CC1 11a_100000209983_100102529529 [1,0,0,1,0,0|1,0,1]=4 825 B13R1.2917 CCCCCNC(=O)C=CC1CC1 1626a_100000209983_100102529529 [1,0,0,1,0,0|1,0,1]=4 826 B13R1.2917 CCCCCNC(=O)C=CC1CC1 240690a_100000209983_100102529529 [1,0,0,1,0,0|1,0,1]=4 827 B13R1.2917 CCCOCCC(=O)C=CC1CC1 1458a_100102529529_100011215938 [1,0,0,1,0,0|1,0,1]=4 828 B13R1.2917 CCOCCCC(=O)C=CC1CC1 1458a_100102529529_100012232248 [1,0,0,1,0,0|1,0,1]=4 829 B13R1.2917 CCOCCNC(=O)C=CC1CC1 11a_100011200944_100102529529 [1,0,0,1,0,0|2,0,0]=4 830 B13R1.2917 CCOCCNC(=O)C=CC1CC1 1626a_102516460346_100102529529 [1,0,0,1,0,0|2,0,0]=4 831 B13R1.2917 CCOCCNC(=O)C=CC1CC1 240690a_100011200944_100102529529 [1,0,0,1,0,0|2,0,0]=4 832 B13R1.2917 CCSCCNC(=O)C=CC1CC1 11a_100000106463_100102529529 [1,0,0,1,0,0|2,0,0]=4 833 B13R1.2917 CCSCCNC(=O)C=CC1CC1 1626a_100000106463_100102529529 [1,0,0,1,0,0|2,0,0]=4 834 B13R1.2917 CCSCCNC(=O)C=CC1CC1 240690a_100000106463_100102529529 [1,0,0,1,0,0|2,0,0]=4 835 B13R1.27 CC/C=C\CCOc1ccn(n1)C 34a_100012642153_100015370543 [1,0,0,1,0,0|2,0,0]=4 836 B13R1.2488 CCCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210211 [1,0,0,1,0,0|1,0,1]=4 837 B13R1.2488 CCCNC(=O)C1CCC=CCC1 11a_100020643023_100000048548 [1,0,0,1,0,0|2,0,0]=4 838 B13R1.2488 CCCNC(=O)C1CCC=CCC1 1626a_100020643023_100000048548 [1,0,0,1,0,0|2,0,0]=4 839 B13R1.2488 CCCNC(=O)C1CCC=CCC1 240690a_100020643023_100000048548 [1,0,0,1,0,0|2,0,0]=4 840 B13R1.2488 CCCNC(=O)C1CCC=CCC1 527a_100020643023_100000048548 [1,0,0,1,0,0|2,0,0]=4 841 B15R1.4160 CC/C=C\CCOc1ccn(n1)C(C)C 34a_100013209193_100015370543 [0,1,0,1,0,0|2,0,0]=4 842 B15R1.4163 CC/C=C\CCSc1ccn(n1)CCC 62a_100012457951_100015370543 [0,1,0,1,0,0|1,1,0]=4 843 B15R1.4163 CC/C=C\CCSc1ccn(n1)CCC 62a_100015370543_100012457951 [0,1,0,1,0,0|1,1,0]=4 844 B15R1.4163 CC/C=C\CCSc1cnc([nH]1)CCC 62a_100015370543_200009820212 [0,1,0,1,0,0|1,1,0]=4 845 B15R1.4163 CC/C=C\CCSc1cnc([nH]1)CCC 62a_200009820212_100015370543 [0,1,0,1,0,0|1,1,0]=4 846 B15R1.16078 CCCC(=O)CC(=O)C1CCC=CCC1 1458a_100000048548_100000747444 [0,1,0,1,0,0|1,0,1]=4 847 B15R1.22 CC/C=C\CCOc1cccn(c1=O)C 34a_100000117616_100015370543 [0,1,0,1,0,0|1,0,1]=4 848 B15R1.22 CC/C=C\CCOc1cccn(c1=O)C 7a_100000117616_100015370543 [0,1,0,1,0,0|1,0,1]=4 849 B15R1.52 CC/C=C\CCOC1CCCCCC1=O 7a_100016288707_100000243696 [0,1,0,1,0,0|0,0,2]=4 850 B15R1.52 CC/C=C\CCOC1CCCCNC1=O 7a_100016288707_100000735217 [0,1,0,1,0,0|1,0,1]=4 851 B15R1.1178 CC/C=C\CCOc1ccc(cc1)CC 34a_100000211359_100015370543 [0,1,0,1,0,0|1,0,1]=4 852 B15R1.1178 CC/C=C\CCOc1ccc(cc1)CC 7a_100000211359_100015370543 [0,1,0,1,0,0|1,0,1]=4 853 B15R1.1951 CC/C=C\CCOC1C=CCCCCC1 34a_100000688657_100015370543 [0,1,0,1,0,0|1,0,1]=4 854 B15R1.12031 CC/C=C\CCOc1ccc[n+](c1)CC 34a_100000731997_100015370543 [0,1,0,1,0,0|1,0,1]=4 855 B15R1.12031 CC/C=C\CCOc1ccc[n+](c1)CC 7a_100000731997_100015370543 [0,1,0,1,0,0|1,0,1]=4 856 B15R1.12031 CC/C=C\CCOc1cccc(c1)CC 34a_100000211550_100015370543 [0,1,0,1,0,0|1,0,1]=4 857 B15R1.12031 CC/C=C\CCOc1cccc(c1)CC 7a_100000211550_100015370543 [0,1,0,1,0,0|1,0,1]=4 858 B15R1.12031 CC/C=C\CCOc1cncc(c1)CC 34a_200009861530_100015370543 [0,1,0,1,0,0|1,0,1]=4 859 B15R1.12031 CC/C=C\CCOc1cncc(c1)CC 7a_200009861530_100015370543 [0,1,0,1,0,0|1,0,1]=4 860 B15R1.78 CCCC=CC(=O)COC1CCCCC1 1458a_100000212230_100011935260 [0,1,0,1,0,0|0,0,2]=4 861 B15R1.78 CCCCCC(=O)COC1CC=CCC1 34a_100000073881_200012276598 [0,1,0,1,0,0|0,0,2]=4 862 B15R1.78 CCCCNC(=O)COC1CC=CCC1 34a_100000073881_100000182744 [0,1,0,1,0,0|1,0,1]=4 863 B15R1.78 CCCCOC(=O)COC1CC=CCC1 34a_100000073881_100000211628 [0,1,0,1,0,0|1,0,1]=4 864 B15R1.96 CC/C=C\CCOCC(=O)N1CCCC1 34a_100016288707_100000183516 [0,1,0,1,0,0|1,0,1]=4 865 B15R1.96 CC/C=C\CCOCC(=O)N1CCCC1 7a_100016288707_100000183516 [0,1,0,1,0,0|1,0,1]=4 866 B15R1.96 CC/C=C\CCOCC(=O)N1CCCC1 7a_200000752455_100015370543 [0,1,0,1,0,0|1,0,1]=4 867 B15R1.3249 CCCC=CC(=O)C1CC/C=C\CCC1 1458a_100000212230_100021000466 [0,1,0,1,0,0|1,0,0]=3 868 B15R1.3249 CCOC=CC(=O)C1CC/C=C\CCC1 1458a_100016266692_100021000466 [0,1,0,1,0,0|2,0,0]=4 869 B15R1.3249 COCC=CC(=O)C1CC/C=C\CCC1 1458a_100016285016_100021000466 [0,1,0,1,0,0|2,0,0]=4 870 B15R1.9281 CC/C=C\CCOCc1ccn(n1)CC 34a_100016288707_100000094151 [0,1,0,1,0,0|2,0,0]=4 871 B15R1.9281 CC/C=C\CCOCc1ccn(n1)CC 7a_100016288707_100000094151 [0,1,0,1,0,0|2,0,0]=4 872 B15R1.44685 CC/C=C\CCOc1c(occc1=O)C 34a_100000031901_100015370543 [0,1,0,1,0,0|1,0,1]=4 873 B15R1.13 CCCC=CC(=O)N1CCNC(=O)C1C 11a_100000750721_100000212230 [0,1,0,1,0,0|2,0,0]=4 874 B15R1.13 CCCC=CC(=O)N1CCNC(=O)C1C 1626a_100000750721_100000212230 [0,1,0,1,0,0|2,0,0]=4 875 B15R1.13 CCCC=CC(=O)N1CCNC(=O)C1C 240690a_100000750721_100000212230 [0,1,0,1,0,0|2,0,0]=4 876 B15R1.77 CCCC=CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000212230 [0,1,0,1,0,0|2,0,0]=4 877 B15R1.77 CCCC=CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000212230 [0,1,0,1,0,0|2,0,0]=4 878 B15R1.77 CCCC=CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000212230 [0,1,0,1,0,0|2,0,0]=4 879 B15R1.128 CCCC=CC(=O)NC1CCC(=O)NC1 11a_100000748762_100000212230 [0,1,0,1,0,0|2,0,0]=4 880 B15R1.128 CCCC=CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000212230 [0,1,0,1,0,0|2,0,0]=4 881 B15R1.128 CCCC=CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000212230 [0,1,0,1,0,0|2,0,0]=4 882 B15R1.951 CCC(=O)NCCNC(=O)C1=CCCC1 11a_100132302217_100000038896 [0,1,0,1,0,0|2,0,0]=4 883 B15R1.951 CCC(=O)NCCNC(=O)C1=CCCC1 1626a_100132302217_100000038896 [0,1,0,1,0,0|2,0,0]=4 884 B15R1.951 CCC(=O)NCCNC(=O)C1=CCCC1 240690a_100132302217_100000038896 [0,1,0,1,0,0|2,0,0]=4 885 B15R1.3248 CCCC=CC(=O)N1CCNC(=O)CC1 11a_100000698595_100000212230 [0,1,0,1,0,0|2,0,0]=4 886 B15R1.3248 CCCC=CC(=O)N1CCNC(=O)CC1 1626a_100000698595_100000212230 [0,1,0,1,0,0|2,0,0]=4 887 B15R1.3248 CCCC=CC(=O)N1CCNC(=O)CC1 240690a_100000698595_100000212230 [0,1,0,1,0,0|2,0,0]=4 888 B15R1.11525 CCC(=O)NCCNC(=O)C=C1CCC1 11a_100132302217_100000686340 [0,1,0,1,0,0|2,0,0]=4 889 B15R1.11525 CCC(=O)NCCNC(=O)C=C1CCC1 240690a_100132302217_100000686340 [0,1,0,1,0,0|2,0,0]=4 890 B15R1.11526 CCC(=O)NCCNC(=O)C=CC1CC1 11a_100132302217_100102529529 [0,1,0,1,0,0|2,0,0]=4 891 B15R1.11526 CCC(=O)NCCNC(=O)C=CC1CC1 1626a_100132302217_100102529529 [0,1,0,1,0,0|2,0,0]=4 892 B15R1.11526 CCC(=O)NCCNC(=O)C=CC1CC1 240690a_100132302217_100102529529 [0,1,0,1,0,0|2,0,0]=4 893 B15R1.129 CCCC=CC(=O)NC1CCNC(=O)C1 11a_100016994916_100000212230 [0,1,0,1,0,0|2,0,0]=4 894 B15R1.129 CCCC=CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100000212230 [0,1,0,1,0,0|2,0,0]=4 895 B15R1.129 CCCC=CC(=O)NC1CCNC(=O)C1 240690a_100016994916_100000212230 [0,1,0,1,0,0|2,0,0]=4 896 B15R1.12150 CC/C=C\CCOC(=O)C(C)OC1CC1 34a_200020655201_100000211595 [0,1,0,1,0,0|1,0,1]=4 897 B15R1.794 CCNC(=O)CCNC(=O)C1=CCCC1 11a_100025743525_100000038896 [0,1,0,1,0,0|2,0,0]=4 898 B15R1.794 CCNC(=O)CCNC(=O)C1=CCCC1 1626a_100025743525_100000038896 [0,1,0,1,0,0|2,0,0]=4 899 B15R1.794 CCNC(=O)CCNC(=O)C1=CCCC1 240690a_100025743525_100000038896 [0,1,0,1,0,0|2,0,0]=4 900 B15R1.794 CCOC(=O)CCCC(=O)C1=CCCC1 1458a_100000038896_100011215271 [0,1,0,1,0,0|2,0,0]=4 901 B15R1.794 CCOC(=O)CCNC(=O)C1=CCCC1 188690a_100000746078_100000038896 [0,1,0,1,0,0|2,0,0]=4 902 B15R1.10435 CCNC(=O)CCNC(=O)C=C1CCC1 11a_100025743525_100000686340 [0,1,0,1,0,0|2,0,0]=4 903 B15R1.10435 CCNC(=O)CCNC(=O)C=C1CCC1 240690a_100025743525_100000686340 [0,1,0,1,0,0|2,0,0]=4 904 B15R1.10435 CCOC(=O)CCCC(=O)C=C1CCC1 1458a_100000686340_100011215271 [0,1,0,1,0,0|2,0,0]=4 905 B15R1.10435 CCOC(=O)CCNC(=O)C=C1CCC1 188690a_100000746078_100000686340 [0,1,0,1,0,0|2,0,0]=4 906 B15R1.10436 CCNC(=O)CCNC(=O)C=CC1CC1 11a_100025743525_100102529529 [0,1,0,1,0,0|2,0,0]=4 907 B15R1.10436 CCNC(=O)CCNC(=O)C=CC1CC1 1626a_100025743525_100102529529 [0,1,0,1,0,0|2,0,0]=4 908 B15R1.10436 CCNC(=O)CCNC(=O)C=CC1CC1 240690a_100025743525_100102529529 [0,1,0,1,0,0|2,0,0]=4 909 B15R1.10436 CCOC(=O)CCCC(=O)C=CC1CC1 1458a_100102529529_100011215271 [0,1,0,1,0,0|2,0,0]=4 910 B15R1.10436 CCOC(=O)CCNC(=O)C=CC1CC1 188690a_100000746078_100102529529 [0,1,0,1,0,0|2,0,0]=4 911 B15R2.3955 CCCC=CC(=O)N1CC2C=CC1C2 11a_100000732668_100000212230 [0,0,0,2,0,0|1,0,0]=3 912 B15R2.3955 CCCC=CC(=O)N1CC2C=CC1C2 240690a_100000732668_100000212230 [0,0,0,2,0,0|1,0,0]=3 913 B15R2.3955 CCOC=CC(=O)N1CC2C=CC1C2 11a_100000732668_100016266692 [0,0,0,2,0,0|2,0,0]=4 914 B15R2.3955 CCOC=CC(=O)N1CC2C=CC1C2 240690a_100000732668_100016266692 [0,0,0,2,0,0|2,0,0]=4 915 B15R2.3955 COCC=CC(=O)N1CC2C=CC1C2 11a_100000732668_100016285016 [0,0,0,2,0,0|2,0,0]=4 916 B15R2.3955 COCC=CC(=O)N1CC2C=CC1C2 240690a_100000732668_100016285016 [0,0,0,2,0,0|2,0,0]=4