0 B16R0.68 C#CCCCC(=O)CCCCCCCCC=C 1458a_100000211349_100000731252 [0,0,0,0,0,0|1,0,2]=3 1 B16R0.68 C#CCCCC(=O)CCCCCCCCC=C 1458a_100000690238_100011933949 [0,0,0,0,0,0|1,0,2]=3 2 B16R0.68 C#CCCCCCCCCC(=O)CCCCC 1458a_100000029693_100000210326 [0,0,0,0,0,0|1,0,2]=3 3 B16R0.68 C#CCCCCCCCCC(=O)CCCCF 1458a_100000029693_100000729493 [0,0,0,0,0,0|2,0,2]=4 4 B16R0.68 C#CCCCCCCCCC(=O)CCCCO 1458a_100000029693_100000210776 [0,0,0,0,0,0|2,0,2]=4 5 B16R0.68 C#CCCCCCCCCC(=O)CCCOC 1458a_100000029693_100000740836 [0,0,0,0,0,0|2,0,2]=4 6 B16R0.68 C#CCCCCCCCCC(=O)CCOCC 1458a_100000029693_100011215890 [0,0,0,0,0,0|2,0,2]=4 7 B16R0.68 C#CCCCCCCCCC(=O)CCSCC 1458a_100000029693_100000757381 [0,0,0,0,0,0|2,0,2]=4 8 B16R0.68 C#CCCCCCCCCC(=O)NCCCC 11a_100000102301_100000029693 [0,0,0,0,0,0|1,0,2]=3 9 B16R0.68 C#CCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000029693 [0,0,0,0,0,0|1,0,2]=3 10 B16R0.68 C#CCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000029693 [0,0,0,0,0,0|1,0,2]=3 11 B16R0.68 C#CCCCCCCCCC(=O)NCCCC 527a_100000102301_100000029693 [0,0,0,0,0,0|1,0,2]=3 12 B16R0.68 C#CCCCCCCCCC(=O)NCCCF 11a_100015189416_100000029693 [0,0,0,0,0,0|2,0,2]=4 13 B16R0.68 C#CCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000029693 [0,0,0,0,0,0|2,0,2]=4 14 B16R0.68 C#CCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000029693 [0,0,0,0,0,0|2,0,2]=4 15 B16R0.68 C#CCCCCCCCCC(=O)NCCCF 527a_100015189416_100000029693 [0,0,0,0,0,0|2,0,2]=4 16 B16R0.68 C#CCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000029693 [0,0,0,0,0,0|2,0,2]=4 17 B16R0.68 C#CCCCCCCCCC(=O)NCCCO 527a_100000182051_100000029693 [0,0,0,0,0,0|2,0,2]=4 18 B16R0.68 C#CCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000029693 [0,0,0,0,0,0|2,0,2]=4 19 B16R0.68 C#CCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000029693 [0,0,0,0,0,0|2,0,2]=4 20 B16R0.68 C#CCCCCCCCCC(=O)NCCOC 527a_100000209980_100000029693 [0,0,0,0,0,0|2,0,2]=4 21 B16R0.68 C#CCCCCCCCCC(=O)NCCSC 11a_100020590264_100000029693 [0,0,0,0,0,0|2,0,2]=4 22 B16R0.68 C#CCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000029693 [0,0,0,0,0,0|2,0,2]=4 23 B16R0.68 C#CCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000029693 [0,0,0,0,0,0|2,0,2]=4 24 B16R0.68 C#CCCCCCCCCC(=O)NCCSC 527a_100020590264_100000029693 [0,0,0,0,0,0|2,0,2]=4 25 B16R0.68 C#CCCCCCCCCC(=O)NNCCC 22a_100000740057_100000029693 [0,0,0,0,0,0|2,0,2]=4 26 B16R0.68 C#CCCCCCCOCC(=O)CCCCC 34a_100011217361_200012276598 [0,0,0,0,0,0|2,0,2]=4 27 B16R0.68 C#CCCCCCCOCC(=O)CCCCC 7a_100011217361_200012276598 [0,0,0,0,0,0|2,0,2]=4 28 B16R0.68 C#CCCCCCCOCC(=O)NCCCC 34a_100011217361_100000182744 [0,0,0,0,0,0|2,0,2]=4 29 B16R0.68 C#CCCCCCCOCC(=O)NCCCC 7a_100011217361_100000182744 [0,0,0,0,0,0|2,0,2]=4 30 B16R0.68 C#CCCCCCCOCC(=O)OCCCC 34a_100011217361_100000211628 [0,0,0,0,0,0|1,0,2]=3 31 B16R0.68 C#CCCCCCCOCC(=O)OCCCC 7a_100011217361_100000211628 [0,0,0,0,0,0|1,0,2]=3 32 B16R0.68 C#CCCCCCCOCC(=O)OCCOC 34a_100011217361_200000040189 [0,0,0,0,0,0|2,0,2]=4 33 B16R0.68 C#CCCCCCCOCC(=O)OCCOC 7a_100011217361_200000040189 [0,0,0,0,0,0|2,0,2]=4 34 B16R0.68 C#CCCCCCCSCC(=O)CCCCC 62a_100012276617_200012276598 [0,0,0,0,0,0|2,0,2]=4 35 B16R0.68 C#CCCCCCCSCC(=O)CCCCC 62a_200012276598_100012276617 [0,0,0,0,0,0|2,0,2]=4 36 B16R0.68 C#CCCCCCCSCC(=O)NCCCC 62a_100000182744_100012276617 [0,0,0,0,0,0|2,0,2]=4 37 B16R0.68 C#CCCCCCCSCC(=O)NCCCC 62a_100012276617_100000182744 [0,0,0,0,0,0|2,0,2]=4 38 B16R0.68 C#CCCCCCCSCC(=O)OCCCC 62a_100000211628_100012276617 [0,0,0,0,0,0|1,0,2]=3 39 B16R0.68 C#CCCCCCCSCC(=O)OCCCC 62a_100012276617_100000211628 [0,0,0,0,0,0|1,0,2]=3 40 B16R0.68 C#CCCCCCCSCC(=O)OCCOC 62a_100012276617_200000040189 [0,0,0,0,0,0|2,0,2]=4 41 B16R0.68 C#CCCCCCCSCC(=O)OCCOC 62a_200000040189_100012276617 [0,0,0,0,0,0|2,0,2]=4 42 B16R0.68 C#CCCNC(=O)CCCCCCCCC=C 11a_100000755551_100000211349 [0,0,0,0,0,0|1,0,2]=3 43 B16R0.68 C#CCCNC(=O)CCCCCCCCC=C 1626a_100000755551_100000211349 [0,0,0,0,0,0|1,0,2]=3 44 B16R0.68 C#CCCNC(=O)CCCCCCCCC=C 240690a_100000755551_100000211349 [0,0,0,0,0,0|1,0,2]=3 45 B16R0.68 C#CCCNC(=O)CCCCCCCCC=C 527a_100000755551_100000211349 [0,0,0,0,0,0|1,0,2]=3 46 B16R0.68 C#CCOCC(=O)CCCCCCCCC=C 1458a_100011251226_100011933949 [0,0,0,0,0,0|2,0,2]=4 47 B16R0.68 C=CCCC/C=C/COCC(=O)CCCCC 34a_200016268473_200012276598 [0,0,0,0,0,0|2,0,2]=4 48 B16R0.68 C=CCCC/C=C/COCC(=O)CCCCC 7a_200016268473_200012276598 [0,0,0,0,0,0|2,0,2]=4 49 B16R0.68 C=CCCC/C=C/COCC(=O)NCCCC 34a_200016268473_100000182744 [0,0,0,0,0,0|2,0,2]=4 50 B16R0.68 C=CCCC/C=C/COCC(=O)NCCCC 7a_200016268473_100000182744 [0,0,0,0,0,0|2,0,2]=4 51 B16R0.68 C=CCCC/C=C/COCC(=O)OCCCC 34a_200016268473_100000211628 [0,0,0,0,0,0|1,0,2]=3 52 B16R0.68 C=CCCC/C=C/COCC(=O)OCCCC 7a_200016268473_100000211628 [0,0,0,0,0,0|1,0,2]=3 53 B16R0.68 C=CCCC/C=C/COCC(=O)OCCOC 34a_200016268473_200000040189 [0,0,0,0,0,0|2,0,2]=4 54 B16R0.68 C=CCCC/C=C/COCC(=O)OCCOC 7a_200016268473_200000040189 [0,0,0,0,0,0|2,0,2]=4 55 B16R0.68 C=CCCCCCCCCC(=O)C#CCCC 1458a_200011218047_100011933949 [0,0,0,0,0,0|1,0,1]=2 56 B16R0.68 C=CCCCCCCCCC(=O)C/C=C/CC 1458a_100016274230_100011933949 [0,0,0,0,0,0|1,0,2]=3 57 B16R0.68 C=CCCCCCCCCC(=O)C/C=C\CC 1458a_100000211349_100103147603 [0,0,0,0,0,0|1,0,2]=3 58 B16R0.68 C=CCCCCCCCCC(=O)C=C/C=C/C 1458a_100000185730_100011933949 [0,0,0,0,0,0|1,0,3]=4 59 B16R0.68 C=CCCCCCCCCC(=O)C=CCCC 1458a_100000212230_100011933949 [0,0,0,0,0,0|1,0,1]=2 60 B16R0.68 C=CCCCCCCCCC(=O)C=CCOC 1458a_100016285016_100011933949 [0,0,0,0,0,0|2,0,1]=3 61 B16R0.68 C=CCCCCCCCCC(=O)C=COCC 1458a_100016266692_100011933949 [0,0,0,0,0,0|2,0,1]=3 62 B16R0.68 C=CCCCCCCCCC(=O)CC#CCC 1458a_100000211349_100009813939 [0,0,0,0,0,0|1,0,2]=3 63 B16R0.68 C=CCCCCCCCCC(=O)CC#CCO 1458a_100000211349_200000047223 [0,0,0,0,0,0|2,0,2]=4 64 B16R0.68 C=CCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100011933949 [0,0,0,0,0,0|2,0,1]=3 65 B16R0.68 C=CCCCCCCCCC(=O)CCCC#N 1458a_100000211349_100000211468 [0,0,0,0,0,0|2,0,1]=3 66 B16R0.68 C=CCCCCCCCCC(=O)CCCC=C 1458a_100000211349_100000757094 [0,0,0,0,0,0|1,0,2]=3 67 B16R0.68 C=CCCCCCCCCC(=O)CCCC=C 1458a_100000766728_100011933949 [0,0,0,0,0,0|1,0,2]=3 68 B16R0.68 C=CCCCCCCCCC(=O)CCCCC 1458a_100000211349_100000210326 [0,0,0,0,0,0|1,0,0]=1 69 B16R0.68 C=CCCCCCCCCC(=O)CCCCC 1458a_100000212188_100011933949 [0,0,0,0,0,0|1,0,0]=1 70 B16R0.68 C=CCCCCCCCCC(=O)CCCCF 1458a_100000211349_100000729493 [0,0,0,0,0,0|2,0,0]=2 71 B16R0.68 C=CCCCCCCCCC(=O)CCCCO 1458a_100000211349_100000210776 [0,0,0,0,0,0|2,0,0]=2 72 B16R0.68 C=CCCCCCCCCC(=O)CCCCO 1458a_100000695505_100011933949 [0,0,0,0,0,0|2,0,0]=2 73 B16R0.68 C=CCCCCCCCCC(=O)CCCOC 1458a_100000211349_100000740836 [0,0,0,0,0,0|2,0,0]=2 74 B16R0.68 C=CCCCCCCCCC(=O)CCCOC 1458a_100000741012_100011933949 [0,0,0,0,0,0|2,0,0]=2 75 B16R0.68 C=CCCCCCCCCC(=O)CCCSC 1458a_100000173376_100011933949 [0,0,0,0,0,0|2,0,0]=2 76 B16R0.68 C=CCCCCCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100011933949 [0,0,0,0,0,0|4,0,0]=4 77 B16R0.68 C=CCCCCCCCCC(=O)CCOC=C 1458a_100000211349_100000039644 [0,0,0,0,0,0|2,0,2]=4 78 B16R0.68 C=CCCCCCCCCC(=O)CCOCC 1458a_100000211349_100011215890 [0,0,0,0,0,0|2,0,0]=2 79 B16R0.68 C=CCCCCCCCCC(=O)CCOCC 1458a_100000749530_100011933949 [0,0,0,0,0,0|2,0,0]=2 80 B16R0.68 C=CCCCCCCCCC(=O)CCSCC 1458a_100000211349_100000757381 [0,0,0,0,0,0|2,0,0]=2 81 B16R0.68 C=CCCCCCCCCC(=O)CCSCC 1458a_100000230768_100011933949 [0,0,0,0,0,0|2,0,0]=2 82 B16R0.68 C=CCCCCCCCCC(=O)COCCC 1458a_100000745993_100011933949 [0,0,0,0,0,0|2,0,0]=2 83 B16R0.68 C=CCCCCCCCCC(=O)COCCO 1458a_100000708028_100011933949 [0,0,0,0,0,0|3,0,0]=3 84 B16R0.68 C=CCCCCCCCCC(=O)CSCC#N 1458a_100000150266_100011933949 [0,0,0,0,0,0|3,0,1]=4 85 B16R0.68 C=CCCCCCCCCC(=O)CSCC=C 1458a_100000230395_100011933949 [0,0,0,0,0,0|2,0,2]=4 86 B16R0.68 C=CCCCCCCCCC(=O)CSCCC 1458a_100000217233_100011933949 [0,0,0,0,0,0|2,0,0]=2 87 B16R0.68 C=CCCCCCCCCC(=O)NCC#CC 11a_100000685387_100000211349 [0,0,0,0,0,0|1,0,2]=3 88 B16R0.68 C=CCCCCCCCCC(=O)NCC#CC 1626a_100000685387_100000211349 [0,0,0,0,0,0|1,0,2]=3 89 B16R0.68 C=CCCCCCCCCC(=O)NCC#CC 527a_100000685387_100000211349 [0,0,0,0,0,0|1,0,2]=3 90 B16R0.68 C=CCCCCCCCCC(=O)NCCC#N 11a_100000720768_100000211349 [0,0,0,0,0,0|2,0,1]=3 91 B16R0.68 C=CCCCCCCCCC(=O)NCCC#N 1626a_100000720768_100000211349 [0,0,0,0,0,0|2,0,1]=3 92 B16R0.68 C=CCCCCCCCCC(=O)NCCC#N 240690a_100000720768_100000211349 [0,0,0,0,0,0|2,0,1]=3 93 B16R0.68 C=CCCCCCCCCC(=O)NCCC#N 527a_100000720768_100000211349 [0,0,0,0,0,0|2,0,1]=3 94 B16R0.68 C=CCCCCCCCCC(=O)NCCC=C 11a_100015191253_100000211349 [0,0,0,0,0,0|1,0,2]=3 95 B16R0.68 C=CCCCCCCCCC(=O)NCCC=C 1626a_100015191253_100000211349 [0,0,0,0,0,0|1,0,2]=3 96 B16R0.68 C=CCCCCCCCCC(=O)NCCC=C 240690a_100015191253_100000211349 [0,0,0,0,0,0|1,0,2]=3 97 B16R0.68 C=CCCCCCCCCC(=O)NCCC=C 527a_100015191253_100000211349 [0,0,0,0,0,0|1,0,2]=3 98 B16R0.68 C=CCCCCCCCCC(=O)NCCCC 11a_100000102301_100000211349 [0,0,0,0,0,0|1,0,0]=1 99 B16R0.68 C=CCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000211349 [0,0,0,0,0,0|1,0,0]=1 100 B16R0.68 C=CCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000211349 [0,0,0,0,0,0|1,0,0]=1 101 B16R0.68 C=CCCCCCCCCC(=O)NCCCC 527a_100000102301_100000211349 [0,0,0,0,0,0|1,0,0]=1 102 B16R0.68 C=CCCCCCCCCC(=O)NCCCF 11a_100015189416_100000211349 [0,0,0,0,0,0|2,0,0]=2 103 B16R0.68 C=CCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000211349 [0,0,0,0,0,0|2,0,0]=2 104 B16R0.68 C=CCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000211349 [0,0,0,0,0,0|2,0,0]=2 105 B16R0.68 C=CCCCCCCCCC(=O)NCCCF 527a_100015189416_100000211349 [0,0,0,0,0,0|2,0,0]=2 106 B16R0.68 C=CCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000211349 [0,0,0,0,0,0|2,0,0]=2 107 B16R0.68 C=CCCCCCCCCC(=O)NCCCO 527a_100000182051_100000211349 [0,0,0,0,0,0|2,0,0]=2 108 B16R0.68 C=CCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000211349 [0,0,0,0,0,0|2,0,0]=2 109 B16R0.68 C=CCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000211349 [0,0,0,0,0,0|2,0,0]=2 110 B16R0.68 C=CCCCCCCCCC(=O)NCCOC 527a_100000209980_100000211349 [0,0,0,0,0,0|2,0,0]=2 111 B16R0.68 C=CCCCCCCCCC(=O)NCCSC 11a_100020590264_100000211349 [0,0,0,0,0,0|2,0,0]=2 112 B16R0.68 C=CCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000211349 [0,0,0,0,0,0|2,0,0]=2 113 B16R0.68 C=CCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000211349 [0,0,0,0,0,0|2,0,0]=2 114 B16R0.68 C=CCCCCCCCCC(=O)NCCSC 527a_100020590264_100000211349 [0,0,0,0,0,0|2,0,0]=2 115 B16R0.68 C=CCCCCCCCCC(=O)NN=CCC 4a_200000015944_100000210100 [0,0,0,0,0,0|2,0,1]=3 116 B16R0.68 C=CCCCCCCCCC(=O)NNCC=C 22a_100020588587_100000211349 [0,0,0,0,0,0|2,0,2]=4 117 B16R0.68 C=CCCCCCCCCC(=O)NNCCC 22a_100000740057_100000211349 [0,0,0,0,0,0|2,0,0]=2 118 B16R0.68 C=CCCCCCCCCC(=O)NNCCO 22a_100000210001_100000211349 [0,0,0,0,0,0|3,0,0]=3 119 B16R0.68 C=CCCCCCCCCN(C)CCCCC 2230a_100000223495_100011933949 [0,0,0,0,0,0|3,0,0]=3 120 B16R0.68 C=CCCCCCCCCN(C)CCCCC 269982a_100000223495_100011933949 [0,0,0,0,0,0|3,0,0]=3 121 B16R0.68 C=CCCCCCCCCN(C)CCCCO 2230a_100000717598_100011933949 [0,0,0,0,0,0|4,0,0]=4 122 B16R0.68 C=CCCCCCCCCN(C)CCCCO 269982a_100000717598_100011933949 [0,0,0,0,0,0|4,0,0]=4 123 B16R0.68 C=CCCCCCCCCN(C)CCCOC 2230a_100000224831_100011933949 [0,0,0,0,0,0|4,0,0]=4 124 B16R0.68 C=CCCCCCCCCN(C)CCCOC 269982a_100000224831_100011933949 [0,0,0,0,0,0|4,0,0]=4 125 B16R0.68 C=CCCCCCCCNC(C)CCCCC 2230a_100000211957_100012355270 [0,0,0,0,0,0|3,0,1]=4 126 B16R0.68 C=CCCCCCCCOC(C)CCCCC 34a_100000730831_200011218191 [0,0,0,0,0,0|3,0,1]=4 127 B16R0.68 C=CCCCCCCCOC(C)CCCCC 34a_100011215632_100012355270 [0,0,0,0,0,0|3,0,1]=4 128 B16R0.68 C=CCCCCCCCOC(C)CCCCC 7a_100000730831_200011218191 [0,0,0,0,0,0|3,0,1]=4 129 B16R0.68 C=CCCCCCCCOC(C)CCCCC 7a_100011215632_100012355270 [0,0,0,0,0,0|3,0,1]=4 130 B16R0.68 C=CCCCCCCNCC(=O)NCCOC 2230a_100000754632_100011215473 [0,0,0,0,0,0|3,0,0]=3 131 B16R0.68 C=CCCCCCCOCC(=O)CCCCC 34a_200011216477_200012276598 [0,0,0,0,0,0|2,0,0]=2 132 B16R0.68 C=CCCCCCCOCC(=O)CCCCC 7a_200011216477_200012276598 [0,0,0,0,0,0|2,0,0]=2 133 B16R0.68 C=CCCCCCCOCC(=O)NCCCC 34a_200011216477_100000182744 [0,0,0,0,0,0|2,0,0]=2 134 B16R0.68 C=CCCCCCCOCC(=O)NCCCC 7a_200011216477_100000182744 [0,0,0,0,0,0|2,0,0]=2 135 B16R0.68 C=CCCCCCCOCC(=O)NCCOC 34a_200011216477_100000183275 [0,0,0,0,0,0|3,0,0]=3 136 B16R0.68 C=CCCCCCCOCC(=O)NCCOC 7a_200011216477_100000183275 [0,0,0,0,0,0|3,0,0]=3 137 B16R0.68 C=CCCCCCCOCC(=O)OCCCC 34a_200011216477_100000211628 [0,0,0,0,0,0|1,0,0]=1 138 B16R0.68 C=CCCCCCCOCC(=O)OCCCC 7a_200011216477_100000211628 [0,0,0,0,0,0|1,0,0]=1 139 B16R0.68 C=CCCCCCCOCC(=O)OCCOC 34a_200011216477_200000040189 [0,0,0,0,0,0|2,0,0]=2 140 B16R0.68 C=CCCCCCCOCC(=O)OCCOC 7a_200011216477_200000040189 [0,0,0,0,0,0|2,0,0]=2 141 B16R0.68 C=CCCCCCCSCC(=O)CCCCC 62a_100011215473_200012276598 [0,0,0,0,0,0|2,0,0]=2 142 B16R0.68 C=CCCCCCCSCC(=O)CCCCC 62a_200012276598_100011215473 [0,0,0,0,0,0|2,0,0]=2 143 B16R0.68 C=CCCCCCCSCC(=O)NCCCC 62a_100000182744_100011215473 [0,0,0,0,0,0|2,0,0]=2 144 B16R0.68 C=CCCCCCCSCC(=O)NCCCC 62a_100011215473_100000182744 [0,0,0,0,0,0|2,0,0]=2 145 B16R0.68 C=CCCCCCCSCC(=O)NCCOC 62a_100000183275_100011215473 [0,0,0,0,0,0|3,0,0]=3 146 B16R0.68 C=CCCCCCCSCC(=O)NCCOC 62a_100011215473_100000183275 [0,0,0,0,0,0|3,0,0]=3 147 B16R0.68 C=CCCCCCCSCC(=O)OCCCC 62a_100000211628_100011215473 [0,0,0,0,0,0|1,0,0]=1 148 B16R0.68 C=CCCCCCCSCC(=O)OCCCC 62a_100011215473_100000211628 [0,0,0,0,0,0|1,0,0]=1 149 B16R0.68 C=CCCCCCCSCC(=O)OCCOC 62a_100011215473_200000040189 [0,0,0,0,0,0|2,0,0]=2 150 B16R0.68 C=CCCCCCCSCC(=O)OCCOC 62a_200000040189_100011215473 [0,0,0,0,0,0|2,0,0]=2 151 B16R0.68 C=COCCOCCOCC(=O)CCCCC 34a_100000039918_200012276598 [0,0,0,0,0,0|4,0,0]=4 152 B16R0.68 C=COCCOCCOCC(=O)CCCCC 7a_100000039918_200012276598 [0,0,0,0,0,0|4,0,0]=4 153 B16R0.68 C=COCCOCCOCC(=O)NCCCC 34a_100000039918_100000182744 [0,0,0,0,0,0|4,0,0]=4 154 B16R0.68 C=COCCOCCOCC(=O)NCCCC 7a_100000039918_100000182744 [0,0,0,0,0,0|4,0,0]=4 155 B16R0.68 C=COCCOCCOCC(=O)OCCCC 34a_100000039918_100000211628 [0,0,0,0,0,0|3,0,0]=3 156 B16R0.68 C=COCCOCCOCC(=O)OCCCC 7a_100000039918_100000211628 [0,0,0,0,0,0|3,0,0]=3 157 B16R0.68 C=COCCOCCOCC(=O)OCCOC 34a_100000039918_200000040189 [0,0,0,0,0,0|4,0,0]=4 158 B16R0.68 C=COCCOCCOCC(=O)OCCOC 7a_100000039918_200000040189 [0,0,0,0,0,0|4,0,0]=4 159 B16R0.68 CC#CCCCCCCCC(=O)CCCCC 1458a_100000066323_100000210326 [0,0,0,0,0,0|1,0,3]=4 160 B16R0.68 CC#CCCCCCCCC(=O)NCCCC 11a_100000102301_100000066323 [0,0,0,0,0,0|1,0,3]=4 161 B16R0.68 CC#CCCCCCCCC(=O)NCCCC 1626a_100000102301_100000066323 [0,0,0,0,0,0|1,0,3]=4 162 B16R0.68 CC#CCCCCCCCC(=O)NCCCC 240690a_100000102301_100000066323 [0,0,0,0,0,0|1,0,3]=4 163 B16R0.68 CC#CCCCCCCCC(=O)NCCCC 527a_100000102301_100000066323 [0,0,0,0,0,0|1,0,3]=4 164 B16R0.68 CCCC#CC(=O)CCCCCCCCCC 1458a_200011218047_100000210319 [0,0,0,0,0,0|1,0,3]=4 165 B16R0.68 CCCC#CC(=O)CCCCCCCCCO 1458a_200011218047_100009813782 [0,0,0,0,0,0|2,0,2]=4 166 B16R0.68 CCCC=CC(=O)CCCCCCCCCC 1458a_100000212230_100000210319 [0,0,0,0,0,0|1,0,3]=4 167 B16R0.68 CCCC=CC(=O)CCCCCCCCCO 1458a_100000212230_100009813782 [0,0,0,0,0,0|2,0,2]=4 168 B16R0.68 CCCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210326 [0,0,0,0,0,0|2,0,1]=3 169 B16R0.68 CCCCCC(=O)CCCCCCCCCO 1458a_100000212188_100009813782 [0,0,0,0,0,0|2,0,1]=3 170 B16R0.68 CCCCCC(=O)CNCCCCCCCO 2230a_100011996573_200012276598 [0,0,0,0,0,0|3,0,1]=4 171 B16R0.68 CCCCCC(=O)CNCCCCCCCO 34a_100011996573_200012276598 [0,0,0,0,0,0|3,0,1]=4 172 B16R0.68 CCCCCC(=O)COCCCCCCCBr 34a_100000760002_200012276598 [0,0,0,0,0,0|3,0,1]=4 173 B16R0.68 CCCCCC(=O)COCCCCCCCBr 7a_100000760002_200012276598 [0,0,0,0,0,0|3,0,1]=4 174 B16R0.68 CCCCCC(=O)COCCCCCCCN 34a_100011996573_200012276598 [0,0,0,0,0,0|3,0,1]=4 175 B16R0.68 CCCCCC(=O)COCCCCCCOC 34a_200012092642_200012276598 [0,0,0,0,0,0|3,0,1]=4 176 B16R0.68 CCCCCC(=O)COCCCCCCOC 7a_200012092642_200012276598 [0,0,0,0,0,0|3,0,1]=4 177 B16R0.68 CCCCCC(=O)CSCCCCCCC#N 62a_100009813337_200012276598 [0,0,0,0,0,0|3,0,1]=4 178 B16R0.68 CCCCCC(=O)CSCCCCCCC#N 62a_200012276598_100009813337 [0,0,0,0,0,0|3,0,1]=4 179 B16R0.68 CCCCCC(=O)CSCCCCCCCO 62a_100000760002_200012276598 [0,0,0,0,0,0|3,0,1]=4 180 B16R0.68 CCCCCC(=O)CSCCCCCCCO 62a_200012276598_100000760002 [0,0,0,0,0,0|3,0,1]=4 181 B16R0.68 CCCCCC(=O)CSCCCCCCOC 62a_100011998445_200012276598 [0,0,0,0,0,0|3,0,1]=4 182 B16R0.68 CCCCCC(=O)CSCCCCCCOC 62a_200012276598_100011998445 [0,0,0,0,0,0|3,0,1]=4 183 B16R0.68 CCCCCC(=O)NCCCCCCCCO 240690a_102515433106_100000212188 [0,0,0,0,0,0|3,0,1]=4 184 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000210375_100000210326 [0,0,0,0,0,0|1,0,2]=3 185 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210319 [0,0,0,0,0,0|1,0,2]=3 186 B16R0.68 CCCCCCCCCCC(=O)CCCCF 1458a_100000210375_100000729493 [0,0,0,0,0,0|2,0,2]=4 187 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000210375_100000210776 [0,0,0,0,0,0|2,0,2]=4 188 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210319 [0,0,0,0,0,0|2,0,2]=4 189 B16R0.68 CCCCCCCCCCC(=O)CCCOC 1458a_100000210375_100000740836 [0,0,0,0,0,0|2,0,2]=4 190 B16R0.68 CCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210319 [0,0,0,0,0,0|2,0,2]=4 191 B16R0.68 CCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210319 [0,0,0,0,0,0|2,0,2]=4 192 B16R0.68 CCCCCCCCCCC(=O)CCOCC 1458a_100000210375_100011215890 [0,0,0,0,0,0|2,0,2]=4 193 B16R0.68 CCCCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210319 [0,0,0,0,0,0|2,0,2]=4 194 B16R0.68 CCCCCCCCCCC(=O)CCSCC 1458a_100000210375_100000757381 [0,0,0,0,0,0|2,0,2]=4 195 B16R0.68 CCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100000210319 [0,0,0,0,0,0|2,0,2]=4 196 B16R0.68 CCCCCCCCCCC(=O)COCCC 1458a_100000745993_100000210319 [0,0,0,0,0,0|2,0,2]=4 197 B16R0.68 CCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100000210319 [0,0,0,0,0,0|2,0,2]=4 198 B16R0.68 CCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210375 [0,0,0,0,0,0|1,0,2]=3 199 B16R0.68 CCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210375 [0,0,0,0,0,0|1,0,2]=3 200 B16R0.68 CCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210375 [0,0,0,0,0,0|1,0,2]=3 201 B16R0.68 CCCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210375 [0,0,0,0,0,0|2,0,2]=4 202 B16R0.68 CCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210375 [0,0,0,0,0,0|2,0,2]=4 203 B16R0.68 CCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210375 [0,0,0,0,0,0|2,0,2]=4 204 B16R0.68 CCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210375 [0,0,0,0,0,0|2,0,2]=4 205 B16R0.68 CCCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210375 [0,0,0,0,0,0|2,0,2]=4 206 B16R0.68 CCCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210375 [0,0,0,0,0,0|2,0,2]=4 207 B16R0.68 CCCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210375 [0,0,0,0,0,0|2,0,2]=4 208 B16R0.68 CCCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210375 [0,0,0,0,0,0|2,0,2]=4 209 B16R0.68 CCCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210375 [0,0,0,0,0,0|2,0,2]=4 210 B16R0.68 CCCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210375 [0,0,0,0,0,0|2,0,2]=4 211 B16R0.68 CCCCCCCCCCC(C)OCCCC 34a_100011215000_100000210210 [0,0,0,0,0,0|1,0,3]=4 212 B16R0.68 CCCCCCCCCCC(C)OCCCC 7a_100011215000_100000210211 [0,0,0,0,0,0|1,0,3]=4 213 B16R0.68 CCCCCCCCCNC(=O)CCCCC 11a_100000212291_100000212188 [0,0,0,0,0,0|2,0,2]=4 214 B16R0.68 CCCCCCCCCNC(=O)CCCCC 1626a_100000212291_100000212188 [0,0,0,0,0,0|2,0,2]=4 215 B16R0.68 CCCCCCCCCNC(=O)CCCCC 240690a_100000212291_100000212188 [0,0,0,0,0,0|2,0,2]=4 216 B16R0.68 CCCCCCCCCNC(=O)CCCCC 527a_100000212291_100000212188 [0,0,0,0,0,0|2,0,2]=4 217 B16R0.68 CCCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000212291 [0,0,0,0,0,0|2,0,2]=4 218 B16R0.68 CCCCCCCCCNC(=O)NCCCC 2708a_100000212291_100000102301 [0,0,0,0,0,0|2,0,2]=4 219 B16R0.68 CCCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000212291 [0,0,0,0,0,0|2,0,2]=4 220 B16R0.68 CCCCCCCCCNC(=O)NCCCC 273464a_100000212291_100000102301 [0,0,0,0,0,0|2,0,2]=4 221 B16R0.68 CCCCCCCCCNC(=O)NCCCC 512a_100000102301_100000212291 [0,0,0,0,0,0|2,0,2]=4 222 B16R0.68 CCCCCCCCCNC(=O)NCCCC 512a_100000212291_100000102301 [0,0,0,0,0,0|2,0,2]=4 223 B16R0.68 CCCCCCCCNCC(=O)CCCCC 2230a_100000229939_200012276598 [0,0,0,0,0,0|2,0,2]=4 224 B16R0.68 CCCCCCCCNCC(=O)CCCCC 34a_100000229939_200012276598 [0,0,0,0,0,0|2,0,2]=4 225 B16R0.68 CCCCCCCCNCC(=O)NCCCC 2230a_100000229939_100000182744 [0,0,0,0,0,0|2,0,2]=4 226 B16R0.68 CCCCCCCCNCC(=O)NCCCC 34a_100000229939_100000182744 [0,0,0,0,0,0|2,0,2]=4 227 B16R0.68 CCCCCCCCNCC(=O)OCCCC 2230a_100000229939_100000211628 [0,0,0,0,0,0|1,0,2]=3 228 B16R0.68 CCCCCCCCNCC(=O)OCCCC 34a_100000229939_100000211628 [0,0,0,0,0,0|1,0,2]=3 229 B16R0.68 CCCCCCCCNCC(=O)OCCOC 2230a_100000229939_200000040189 [0,0,0,0,0,0|2,0,2]=4 230 B16R0.68 CCCCCCCCNCC(=O)OCCOC 34a_100000229939_200000040189 [0,0,0,0,0,0|2,0,2]=4 231 B16R0.68 CCCCCCCCOCC(=O)CCCCC 1458a_100000759886_100000210326 [0,0,0,0,0,0|2,0,2]=4 232 B16R0.68 CCCCCCCCOCC(=O)CCCCC 34a_100000210232_200012276598 [0,0,0,0,0,0|2,0,2]=4 233 B16R0.68 CCCCCCCCOCC(=O)CCCCC 7a_100000210232_200012276598 [0,0,0,0,0,0|2,0,2]=4 234 B16R0.68 CCCCCCCCOCC(=O)NCCCC 11a_100000102301_100000759886 [0,0,0,0,0,0|2,0,2]=4 235 B16R0.68 CCCCCCCCOCC(=O)NCCCC 1626a_100000102301_100000759886 [0,0,0,0,0,0|2,0,2]=4 236 B16R0.68 CCCCCCCCOCC(=O)NCCCC 240690a_100000102301_100000759886 [0,0,0,0,0,0|2,0,2]=4 237 B16R0.68 CCCCCCCCOCC(=O)NCCCC 34a_100000210232_100000182744 [0,0,0,0,0,0|2,0,2]=4 238 B16R0.68 CCCCCCCCOCC(=O)NCCCC 527a_100000102301_100000759886 [0,0,0,0,0,0|2,0,2]=4 239 B16R0.68 CCCCCCCCOCC(=O)NCCCC 7a_100000210232_100000182744 [0,0,0,0,0,0|2,0,2]=4 240 B16R0.68 CCCCCCCCOCC(=O)OCCCC 34a_100000210232_100000211628 [0,0,0,0,0,0|1,0,2]=3 241 B16R0.68 CCCCCCCCOCC(=O)OCCCC 7a_100000210232_100000211628 [0,0,0,0,0,0|1,0,2]=3 242 B16R0.68 CCCCCCCCOCC(=O)OCCOC 34a_100000210232_200000040189 [0,0,0,0,0,0|2,0,2]=4 243 B16R0.68 CCCCCCCCOCC(=O)OCCOC 7a_100000210232_200000040189 [0,0,0,0,0,0|2,0,2]=4 244 B16R0.68 CCCCCCCCSCC(=O)CCCCC 62a_100000210759_200012276598 [0,0,0,0,0,0|2,0,2]=4 245 B16R0.68 CCCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210317 [0,0,0,0,0,0|2,0,2]=4 246 B16R0.68 CCCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210317 [0,0,0,0,0,0|2,0,2]=4 247 B16R0.68 CCCCCCCCSCC(=O)NCCCC 62a_100000210759_100000182744 [0,0,0,0,0,0|2,0,2]=4 248 B16R0.68 CCCCCCCCSCC(=O)OCCCC 62a_100000210759_100000211628 [0,0,0,0,0,0|1,0,2]=3 249 B16R0.68 CCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210317 [0,0,0,0,0,0|1,0,2]=3 250 B16R0.68 CCCCCCCCSCC(=O)OCCOC 62a_100000210759_200000040189 [0,0,0,0,0,0|2,0,2]=4 251 B16R0.68 CCCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210317 [0,0,0,0,0,0|2,0,2]=4 252 B16R0.68 CCCCCNCCOCC(=O)OCCCC 34a_100000224656_100000211628 [0,0,0,0,0,0|2,0,2]=4 253 B16R0.68 CCCCCOCCOCC(=O)OCCCC 34a_100011215259_100000211628 [0,0,0,0,0,0|2,0,2]=4 254 B16R0.68 CCCCCOCCOCC(=O)OCCCC 7a_100011215259_100000211628 [0,0,0,0,0,0|2,0,2]=4 255 B16R0.68 CCCCNC(=O)CCCCCCCCCF 11a_100000102301_200009909015 [0,0,0,0,0,0|2,0,1]=3 256 B16R0.68 CCCCNC(=O)CCCCCCCCCF 240690a_100000102301_200009909015 [0,0,0,0,0,0|2,0,1]=3 257 B16R0.68 CCCCNC(=O)CCCCCCCCCF 527a_100000102301_200009909015 [0,0,0,0,0,0|2,0,1]=3 258 B16R0.68 CCCCNC(=O)CCCCCCCCCO 240690a_100000102301_100000032657 [0,0,0,0,0,0|2,0,1]=3 259 B16R0.68 CCCCNC(=O)CNCCCCCCCO 2230a_100011996573_100000182744 [0,0,0,0,0,0|3,0,1]=4 260 B16R0.68 CCCCNC(=O)CNCCCCCCCO 34a_100011996573_100000182744 [0,0,0,0,0,0|3,0,1]=4 261 B16R0.68 CCCCNC(=O)COCCCCCCCBr 34a_100000760002_100000182744 [0,0,0,0,0,0|3,0,1]=4 262 B16R0.68 CCCCNC(=O)COCCCCCCCBr 7a_100000760002_100000182744 [0,0,0,0,0,0|3,0,1]=4 263 B16R0.68 CCCCNC(=O)COCCCCCCCN 34a_100011996573_100000182744 [0,0,0,0,0,0|3,0,1]=4 264 B16R0.68 CCCCNC(=O)COCCCCCCOC 34a_200012092642_100000182744 [0,0,0,0,0,0|3,0,1]=4 265 B16R0.68 CCCCNC(=O)COCCCCCCOC 7a_200012092642_100000182744 [0,0,0,0,0,0|3,0,1]=4 266 B16R0.68 CCCCNC(=O)CSCCCCCCC#N 62a_100000182744_100009813337 [0,0,0,0,0,0|3,0,1]=4 267 B16R0.68 CCCCNC(=O)CSCCCCCCC#N 62a_100009813337_100000182744 [0,0,0,0,0,0|3,0,1]=4 268 B16R0.68 CCCCNC(=O)CSCCCCCCCO 62a_100000182744_100000760002 [0,0,0,0,0,0|3,0,1]=4 269 B16R0.68 CCCCNC(=O)CSCCCCCCCO 62a_100000760002_100000182744 [0,0,0,0,0,0|3,0,1]=4 270 B16R0.68 CCCCNC(=O)CSCCCCCCOC 62a_100000182744_100011998445 [0,0,0,0,0,0|3,0,1]=4 271 B16R0.68 CCCCNC(=O)CSCCCCCCOC 62a_100011998445_100000182744 [0,0,0,0,0,0|3,0,1]=4 272 B16R0.68 CCCCNC(=O)NCCCCCCCCO 2708a_100000102301_102515433106 [0,0,0,0,0,0|3,0,1]=4 273 B16R0.68 CCCCNC(=O)NCCCCCCCCO 2708a_102515433106_100000102301 [0,0,0,0,0,0|3,0,1]=4 274 B16R0.68 CCCCNC(=O)NCCCCCCCCO 273464a_100000102301_102515433106 [0,0,0,0,0,0|3,0,1]=4 275 B16R0.68 CCCCNC(=O)NCCCCCCCCO 273464a_102515433106_100000102301 [0,0,0,0,0,0|3,0,1]=4 276 B16R0.68 CCCCNC(=O)NCCCCCCCCO 512a_100000102301_102515433106 [0,0,0,0,0,0|3,0,1]=4 277 B16R0.68 CCCCNC(=O)NCCCCCCCCO 512a_102515433106_100000102301 [0,0,0,0,0,0|3,0,1]=4 278 B16R0.68 CCCCOC(=O)CNCCCCCCCO 2230a_100011996573_100000211628 [0,0,0,0,0,0|2,0,1]=3 279 B16R0.68 CCCCOC(=O)CNCCCCCCCO 34a_100011996573_100000211628 [0,0,0,0,0,0|2,0,1]=3 280 B16R0.68 CCCCOC(=O)CNCCCOCCCO 2230a_100011310245_100000211628 [0,0,0,0,0,0|3,0,1]=4 281 B16R0.68 CCCCOC(=O)CNCCCOCCCO 34a_100011310245_100000211628 [0,0,0,0,0,0|3,0,1]=4 282 B16R0.68 CCCCOC(=O)CNCCCOCCOC 2230a_100000206027_100000211628 [0,0,0,0,0,0|3,0,1]=4 283 B16R0.68 CCCCOC(=O)CNCCCOCCOC 34a_100000206027_100000211628 [0,0,0,0,0,0|3,0,1]=4 284 B16R0.68 CCCCOC(=O)COCCCCCCCBr 34a_100000760002_100000211628 [0,0,0,0,0,0|2,0,1]=3 285 B16R0.68 CCCCOC(=O)COCCCCCCCBr 7a_100000760002_100000211628 [0,0,0,0,0,0|2,0,1]=3 286 B16R0.68 CCCCOC(=O)COCCCCCCCN 34a_100011996573_100000211628 [0,0,0,0,0,0|2,0,1]=3 287 B16R0.68 CCCCOC(=O)COCCCCCCOC 34a_200012092642_100000211628 [0,0,0,0,0,0|2,0,1]=3 288 B16R0.68 CCCCOC(=O)COCCCCCCOC 7a_200012092642_100000211628 [0,0,0,0,0,0|2,0,1]=3 289 B16R0.68 CCCCOC(=O)COCCCOCCCN 34a_100011310245_100000211628 [0,0,0,0,0,0|3,0,1]=4 290 B16R0.68 CCCCOC(=O)CSCCCCCCC#N 62a_100000211628_100009813337 [0,0,0,0,0,0|2,0,1]=3 291 B16R0.68 CCCCOC(=O)CSCCCCCCC#N 62a_100009813337_100000211628 [0,0,0,0,0,0|2,0,1]=3 292 B16R0.68 CCCCOC(=O)CSCCCCCCCO 62a_100000211628_100000760002 [0,0,0,0,0,0|2,0,1]=3 293 B16R0.68 CCCCOC(=O)CSCCCCCCCO 62a_100000760002_100000211628 [0,0,0,0,0,0|2,0,1]=3 294 B16R0.68 CCCCOC(=O)CSCCCCCCOC 62a_100000211628_100011998445 [0,0,0,0,0,0|2,0,1]=3 295 B16R0.68 CCCCOC(=O)CSCCCCCCOC 62a_100011998445_100000211628 [0,0,0,0,0,0|2,0,1]=3 296 B16R0.68 CCCCOC(=O)CSCCCOCCOC 62a_100000211628_100011216529 [0,0,0,0,0,0|3,0,1]=4 297 B16R0.68 CCCCOC(=O)CSCCCOCCOC 62a_100011216529_100000211628 [0,0,0,0,0,0|3,0,1]=4 298 B16R0.68 CCCCOCCCNCC(=O)OCCCC 2230a_200000211371_100000211628 [0,0,0,0,0,0|2,0,2]=4 299 B16R0.68 CCCCOCCCNCC(=O)OCCCC 34a_200000211371_100000211628 [0,0,0,0,0,0|2,0,2]=4 300 B16R0.68 CCCCOCCCOCC(=O)OCCCC 34a_200011215613_100000211628 [0,0,0,0,0,0|2,0,2]=4 301 B16R0.68 CCCCOCCCOCC(=O)OCCCC 7a_200011215613_100000211628 [0,0,0,0,0,0|2,0,2]=4 302 B16R0.68 CCCNNC(=O)CCCCCCCCCF 22a_100000740057_200009909015 [0,0,0,0,0,0|3,0,1]=4 303 B16R0.68 CCCNNC(=O)CCCCCCCCCO 22a_100000740057_100000032657 [0,0,0,0,0,0|3,0,1]=4 304 B16R0.68 CCCOCC(=O)CCCCCCCCCO 1458a_100000745993_100009813782 [0,0,0,0,0,0|3,0,1]=4 305 B16R0.68 CCCSCC(=O)CCCCCCCCCO 1458a_100000217233_100009813782 [0,0,0,0,0,0|3,0,1]=4 306 B16R0.68 CCOCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215890 [0,0,0,0,0,0|3,0,1]=4 307 B16R0.68 CCOCCC(=O)CCCCCCCCCO 1458a_100000749530_100009813782 [0,0,0,0,0,0|3,0,1]=4 308 B16R0.68 CCSCCC(=O)CCCCCCCCCF 1458a_200009909015_100000757381 [0,0,0,0,0,0|3,0,1]=4 309 B16R0.68 CCSCCC(=O)CCCCCCCCCO 1458a_100000230768_100009813782 [0,0,0,0,0,0|3,0,1]=4 310 B16R0.68 COCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000740836 [0,0,0,0,0,0|3,0,1]=4 311 B16R0.68 COCCCC(=O)CCCCCCCCCO 1458a_100000741012_100009813782 [0,0,0,0,0,0|3,0,1]=4 312 B16R0.68 COCCCCCCOCC(=O)OCCOC 34a_200012092642_200000040189 [0,0,0,0,0,0|3,0,1]=4 313 B16R0.68 COCCCCCCOCC(=O)OCCOC 7a_200012092642_200000040189 [0,0,0,0,0,0|3,0,1]=4 314 B16R0.68 COCCCCCCSCC(=O)OCCOC 62a_100011998445_200000040189 [0,0,0,0,0,0|3,0,1]=4 315 B16R0.68 COCCCCCCSCC(=O)OCCOC 62a_200000040189_100011998445 [0,0,0,0,0,0|3,0,1]=4 316 B16R0.68 COCCNC(=O)CCCCCCCCCF 240690a_100000209980_200009909015 [0,0,0,0,0,0|3,0,1]=4 317 B16R0.68 COCCNC(=O)CCCCCCCCCF 527a_100000209980_200009909015 [0,0,0,0,0,0|3,0,1]=4 318 B16R0.68 COCCNC(=O)CCCCCCCCCO 240690a_100000209980_100000032657 [0,0,0,0,0,0|3,0,1]=4 319 B16R0.68 COCCOC(=O)CNCCCCCCCO 2230a_100011996573_200000040189 [0,0,0,0,0,0|3,0,1]=4 320 B16R0.68 COCCOC(=O)CNCCCCCCCO 34a_100011996573_200000040189 [0,0,0,0,0,0|3,0,1]=4 321 B16R0.68 COCCOC(=O)COCCCCCCCBr 34a_100000760002_200000040189 [0,0,0,0,0,0|3,0,1]=4 322 B16R0.68 COCCOC(=O)COCCCCCCCBr 7a_100000760002_200000040189 [0,0,0,0,0,0|3,0,1]=4 323 B16R0.68 COCCOC(=O)COCCCCCCCN 34a_100011996573_200000040189 [0,0,0,0,0,0|3,0,1]=4 324 B16R0.68 COCCOC(=O)CSCCCCCCC#N 62a_100009813337_200000040189 [0,0,0,0,0,0|3,0,1]=4 325 B16R0.68 COCCOC(=O)CSCCCCCCC#N 62a_200000040189_100009813337 [0,0,0,0,0,0|3,0,1]=4 326 B16R0.68 COCCOC(=O)CSCCCCCCCO 62a_100000760002_200000040189 [0,0,0,0,0,0|3,0,1]=4 327 B16R0.68 COCCOC(=O)CSCCCCCCCO 62a_200000040189_100000760002 [0,0,0,0,0,0|3,0,1]=4 328 B16R0.68 CSCCCC(=O)CCCCCCCCCO 1458a_100000173376_100009813782 [0,0,0,0,0,0|3,0,1]=4 329 B16R0.68 CSCCNC(=O)CCCCCCCCCF 11a_100020590264_200009909015 [0,0,0,0,0,0|3,0,1]=4 330 B16R0.68 CSCCNC(=O)CCCCCCCCCF 240690a_100020590264_200009909015 [0,0,0,0,0,0|3,0,1]=4 331 B16R0.68 CSCCNC(=O)CCCCCCCCCF 527a_100020590264_200009909015 [0,0,0,0,0,0|3,0,1]=4 332 B16R0.68 CSCCNC(=O)CCCCCCCCCO 240690a_100020590264_100000032657 [0,0,0,0,0,0|3,0,1]=4 333 B16R0.68 O=C(CCCCCCCCCF)NCCCF 11a_100015189416_200009909015 [0,0,0,0,0,0|3,0,1]=4 334 B16R0.68 O=C(CCCCCCCCCF)NCCCF 240690a_100015189416_200009909015 [0,0,0,0,0,0|3,0,1]=4 335 B16R0.68 O=C(CCCCCCCCCF)NCCCF 527a_100015189416_200009909015 [0,0,0,0,0,0|3,0,1]=4 336 B16R0.68 O=C(CCCCCCCCCF)NCCCO 240690a_100000182051_200009909015 [0,0,0,0,0,0|3,0,1]=4 337 B16R0.68 O=C(CCCCCCCCCF)NCCCO 527a_100000182051_200009909015 [0,0,0,0,0,0|3,0,1]=4 338 B16R0.68 O=C(CCCCCCCCCO)NCCCF 240690a_100015189416_100000032657 [0,0,0,0,0,0|3,0,1]=4 339 B16R0.68 O=C(CCCCCCCCCO)NCCCO 240690a_100000182051_100000032657 [0,0,0,0,0,0|3,0,1]=4 340 B16R0.68 O=C(CCCCF)CCCCCCCCCF 1458a_200009909015_100000729493 [0,0,0,0,0,0|3,0,1]=4 341 B16R0.68 O=C(CCCCO)CCCCCCCCCF 1458a_200009909015_100000210776 [0,0,0,0,0,0|3,0,1]=4 342 B16R0.68 O=C(CCCCO)CCCCCCCCCO 1458a_100000695505_100009813782 [0,0,0,0,0,0|3,0,1]=4 343 B15R0.70 C#CCCCCCCCCCOCCCC 34a_100000034437_100000210210 [1,0,0,0,0,0|0,0,3]=4 344 B15R0.70 C#CCCCCCCCCCOCCCC 7a_100000034437_100000210211 [1,0,0,0,0,0|0,0,3]=4 345 B15R0.70 C#CCCOCCCCCCCCCC=C 34a_100000038209_100000688953 [1,0,0,0,0,0|0,0,3]=4 346 B15R0.70 C#CCCOCCCCCCCCCC=C 34a_100011215631_100009814027 [1,0,0,0,0,0|0,0,3]=4 347 B15R0.70 C#CCCOCCCCCCCCCC=C 7a_100000038209_100000688953 [1,0,0,0,0,0|0,0,3]=4 348 B15R0.70 C=CCCCCCCCCC=NNCCC 4a_100000740057_100000039675 [1,0,0,0,0,0|2,0,0]=3 349 B15R0.70 C=CCCCCCCCCC=NNCCO 4a_100000210001_100000039675 [1,0,0,0,0,0|3,0,0]=4 350 B15R0.70 C=CCCCCCCCCCCCNCC 2230a_100015525214_102130925996 [1,0,0,0,0,0|2,0,1]=4 351 B15R0.70 C=CCCCCCCCCCCCOCC 34a_100121572206_102130925996 [1,0,0,0,0,0|2,0,1]=4 352 B15R0.70 C=CCCCCCCCCCCCSCC 62a_100000210202_102130925996 [1,0,0,0,0,0|2,0,1]=4 353 B15R0.70 C=CCCCCCCCCCCCSCC 62a_102130925996_100000210202 [1,0,0,0,0,0|2,0,1]=4 354 B15R0.70 C=CCCCCCCCCCCOCCC 34a_100000210258_100011093070 [1,0,0,0,0,0|2,0,1]=4 355 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100000210303_100011093070 [1,0,0,0,0,0|2,0,1]=4 356 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100011093070_100000210303 [1,0,0,0,0,0|2,0,1]=4 357 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000081888_100000210211 [1,0,0,0,0,0|1,0,1]=3 358 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000102301_100009814027 [1,0,0,0,0,0|1,0,1]=3 359 B15R0.70 C=CCCCCCCCCCNCCCC 34a_100000081888_100000210210 [1,0,0,0,0,0|1,0,1]=3 360 B15R0.70 C=CCCCCCCCCCNCCCC 7a_106832991798_100009814027 [1,0,0,0,0,0|1,0,1]=3 361 B15R0.70 C=CCCCCCCCCCNCCCF 2230a_100000081888_100011934791 [1,0,0,0,0,0|2,0,1]=4 362 B15R0.70 C=CCCCCCCCCCNCCCF 2230a_100015189416_100009814027 [1,0,0,0,0,0|2,0,1]=4 363 B15R0.70 C=CCCCCCCCCCNCCCF 34a_100000081888_100011934791 [1,0,0,0,0,0|2,0,1]=4 364 B15R0.70 C=CCCCCCCCCCNCCCF 34a_100015189416_100009814027 [1,0,0,0,0,0|2,0,1]=4 365 B15R0.70 C=CCCCCCCCCCNCCCO 2230a_100000081888_100000230001 [1,0,0,0,0,0|2,0,1]=4 366 B15R0.70 C=CCCCCCCCCCNCCCO 34a_100000081888_100000230001 [1,0,0,0,0,0|2,0,1]=4 367 B15R0.70 C=CCCCCCCCCCNCCOC 2230a_100000081888_100011201679 [1,0,0,0,0,0|2,0,1]=4 368 B15R0.70 C=CCCCCCCCCCNCCOC 2230a_100000209980_100009814027 [1,0,0,0,0,0|2,0,1]=4 369 B15R0.70 C=CCCCCCCCCCNCCOC 34a_100000081888_100011201679 [1,0,0,0,0,0|2,0,1]=4 370 B15R0.70 C=CCCCCCCCCCNCCSC 2230a_100000081888_100000751147 [1,0,0,0,0,0|2,0,1]=4 371 B15R0.70 C=CCCCCCCCCCNCCSC 2230a_100020590264_100009814027 [1,0,0,0,0,0|2,0,1]=4 372 B15R0.70 C=CCCCCCCCCCNCCSC 34a_100000081888_100000212216 [1,0,0,0,0,0|2,0,1]=4 373 B15R0.70 C=CCCCCCCCCCOC/C=C/C 34a_100000038209_100102629194 [1,0,0,0,0,0|0,0,3]=4 374 B15R0.70 C=CCCCCCCCCCOC/C=C/C 34a_100016270725_100009814027 [1,0,0,0,0,0|0,0,3]=4 375 B15R0.70 C=CCCCCCCCCCOC/C=C/C 7a_100000038209_100102629194 [1,0,0,0,0,0|0,0,3]=4 376 B15R0.70 C=CCCCCCCCCCOCC#CC 34a_100000038209_100000748600 [1,0,0,0,0,0|0,0,3]=4 377 B15R0.70 C=CCCCCCCCCCOCC#CC 34a_100000761923_100009814027 [1,0,0,0,0,0|0,0,3]=4 378 B15R0.70 C=CCCCCCCCCCOCC#CC 7a_100000038209_100000748600 [1,0,0,0,0,0|0,0,3]=4 379 B15R0.70 C=CCCCCCCCCCOCC=CC 34a_100000038209_100000070051 [1,0,0,0,0,0|0,0,3]=4 380 B15R0.70 C=CCCCCCCCCCOCC=CC 7a_100000038209_100000070051 [1,0,0,0,0,0|0,0,3]=4 381 B15R0.70 C=CCCCCCCCCCOCCC#N 7a_100000038209_100000184422 [1,0,0,0,0,0|1,0,2]=4 382 B15R0.70 C=CCCCCCCCCCOCCC=C 34a_100000038209_100000754431 [1,0,0,0,0,0|0,0,3]=4 383 B15R0.70 C=CCCCCCCCCCOCCC=C 34a_100011205117_100009814027 [1,0,0,0,0,0|0,0,3]=4 384 B15R0.70 C=CCCCCCCCCCOCCC=C 7a_100000038209_100000754431 [1,0,0,0,0,0|0,0,3]=4 385 B15R0.70 C=CCCCCCCCCCOCCCBr 34a_100011217188_100009814027 [1,0,0,0,0,0|1,0,1]=3 386 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000038209_100000210210 [1,0,0,0,0,0|0,0,1]=2 387 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000210227_100009814027 [1,0,0,0,0,0|0,0,1]=2 388 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000038209_100000210211 [1,0,0,0,0,0|0,0,1]=2 389 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000210227_100009814027 [1,0,0,0,0,0|0,0,1]=2 390 B15R0.70 C=CCCCCCCCCCOCCCCl 34a_100000230001_100009814027 [1,0,0,0,0,0|1,0,1]=3 391 B15R0.70 C=CCCCCCCCCCOCCCF 34a_100000038209_100011934791 [1,0,0,0,0,0|1,0,1]=3 392 B15R0.70 C=CCCCCCCCCCOCCCF 34a_100000759539_100009814027 [1,0,0,0,0,0|1,0,1]=3 393 B15R0.70 C=CCCCCCCCCCOCCCF 7a_100000038209_100011934791 [1,0,0,0,0,0|1,0,1]=3 394 B15R0.70 C=CCCCCCCCCCOCCCN 34a_100000182051_100009814027 [1,0,0,0,0,0|1,0,1]=3 395 B15R0.70 C=CCCCCCCCCCOCCCO 34a_100000038209_100000230001 [1,0,0,0,0,0|1,0,1]=3 396 B15R0.70 C=CCCCCCCCCCOCCCO 7a_100000038209_100011215043 [1,0,0,0,0,0|1,0,1]=3 397 B15R0.70 C=CCCCCCCCCCOCCOC 34a_100000038209_100011201679 [1,0,0,0,0,0|1,0,1]=3 398 B15R0.70 C=CCCCCCCCCCOCCOC 34a_100000210237_100009814027 [1,0,0,0,0,0|1,0,1]=3 399 B15R0.70 C=CCCCCCCCCCOCCOC 7a_100000038209_100000233755 [1,0,0,0,0,0|1,0,1]=3 400 B15R0.70 C=CCCCCCCCCCOCCON 34a_100000700252_100009814027 [1,0,0,0,0,0|2,0,1]=4 401 B15R0.70 C=CCCCCCCCCCOCCSC 34a_100000038209_100000212216 [1,0,0,0,0,0|1,0,1]=3 402 B15R0.70 C=CCCCCCCCCCOCCSC 34a_100000230434_100009814027 [1,0,0,0,0,0|1,0,1]=3 403 B15R0.70 C=CCCCCCCCCCOCCSC 7a_100000038209_100000212216 [1,0,0,0,0,0|1,0,1]=3 404 B15R0.70 C=CCCCCCCCCCOCCSC 7a_100000230434_100009814027 [1,0,0,0,0,0|1,0,1]=3 405 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100000210211_100009814027 [1,0,0,0,0,0|0,1,1]=3 406 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100009814027_100000210210 [1,0,0,0,0,0|0,1,1]=3 407 B15R0.70 C=CCCCCCCCCCSCCCF 62a_100009814027_100011934791 [1,0,0,0,0,0|1,1,1]=4 408 B15R0.70 C=CCCCCCCCCCSCCCF 62a_100011934791_100009814027 [1,0,0,0,0,0|1,1,1]=4 409 B15R0.70 C=CCCCCCCCCCSCCCO 62a_100009814027_100011215043 [1,0,0,0,0,0|1,1,1]=4 410 B15R0.70 C=CCCCCCCCCCSCCCO 62a_100011215043_100009814027 [1,0,0,0,0,0|1,1,1]=4 411 B15R0.70 C=CCCCCCCCCCSCCOC 62a_100000233755_100009814027 [1,0,0,0,0,0|1,1,1]=4 412 B15R0.70 C=CCCCCCCCCCSCCOC 62a_100009814027_100000233755 [1,0,0,0,0,0|1,1,1]=4 413 B15R0.70 C=CCCCCCCCCCSCCSC 62a_100000212216_100009814027 [1,0,0,0,0,0|1,1,1]=4 414 B15R0.70 C=CCCCCCCCCCSCCSC 62a_100009814027_100000751147 [1,0,0,0,0,0|1,1,1]=4 415 B15R0.70 C=CCCCCCCCCCSCOCC 62a_100000739092_100009814027 [1,0,0,0,0,0|1,1,1]=4 416 B15R0.70 C=CCCCCCCCCCSCOCC 62a_100009814027_100000739092 [1,0,0,0,0,0|1,1,1]=4 417 B15R0.70 C=CCCCCCCCCNCCCCC 2230a_100000209983_100011933949 [1,0,0,0,0,0|2,0,0]=3 418 B15R0.70 C=CCCCCCCCCNCCCCO 2230a_100000750430_100011933949 [1,0,0,0,0,0|3,0,0]=4 419 B15R0.70 C=CCCCCCCCCNCCCCO 34a_100000750430_100011933949 [1,0,0,0,0,0|3,0,0]=4 420 B15R0.70 C=CCCCCCCCCNCCCOC 34a_100150723488_100011933949 [1,0,0,0,0,0|3,0,0]=4 421 B15R0.70 C=CCCCCCCCCNCCCSC 2230a_100000749238_100011933949 [1,0,0,0,0,0|3,0,0]=4 422 B15R0.70 C=CCCCCCCCCNCCOCC 2230a_102516460346_100011933949 [1,0,0,0,0,0|3,0,0]=4 423 B15R0.70 C=CCCCCCCCCNCCOCC 34a_102516460346_100011933949 [1,0,0,0,0,0|3,0,0]=4 424 B15R0.70 C=CCCCCCCCCNCCSCC 2230a_100000106463_100011933949 [1,0,0,0,0,0|3,0,0]=4 425 B15R0.70 C=CCCCCCCCCOCCCCBr 34a_100011216708_100011933949 [1,0,0,0,0,0|3,0,0]=4 426 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100000210253_100011933949 [1,0,0,0,0,0|2,0,0]=3 427 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100011215194_100000718602 [1,0,0,0,0,0|2,0,0]=3 428 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100000210253_100011933949 [1,0,0,0,0,0|2,0,0]=3 429 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100011215194_100000210326 [1,0,0,0,0,0|2,0,0]=3 430 B15R0.70 C=CCCCCCCCCOCCCCCl 34a_100000210776_100011933949 [1,0,0,0,0,0|3,0,0]=4 431 B15R0.70 C=CCCCCCCCCOCCCCCl 7a_100000210776_100011933949 [1,0,0,0,0,0|3,0,0]=4 432 B15R0.70 C=CCCCCCCCCOCCCCF 34a_100011215194_100000729493 [1,0,0,0,0,0|3,0,0]=4 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B15R0.70 C=CCCCCCCCCOCCCSC 7a_100000690336_100011933949 [1,0,0,0,0,0|3,0,0]=4 446 B15R0.70 C=CCCCCCCCCOCCOCC 34a_100000210136_100011933949 [1,0,0,0,0,0|3,0,0]=4 447 B15R0.70 C=CCCCCCCCCOCCOCC 34a_100011215194_100000210147 [1,0,0,0,0,0|3,0,0]=4 448 B15R0.70 C=CCCCCCCCCOCCOCC 7a_100000210136_100011933949 [1,0,0,0,0,0|3,0,0]=4 449 B15R0.70 C=CCCCCCCCCOCCOCC 7a_100011215194_100011215890 [1,0,0,0,0,0|3,0,0]=4 450 B15R0.70 C=CCCCCCCCCOCCSCC 34a_100000212035_100011933949 [1,0,0,0,0,0|3,0,0]=4 451 B15R0.70 C=CCCCCCCCCOCCSCC 34a_100011215194_100000757381 [1,0,0,0,0,0|3,0,0]=4 452 B15R0.70 C=CCCCCCCCCOCCSCC 7a_100000212035_100011933949 [1,0,0,0,0,0|3,0,0]=4 453 B15R0.70 C=CCCCCCCCCOCCSCC 7a_100011215194_100000757381 [1,0,0,0,0,0|3,0,0]=4 454 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100000210326_100011933949 [1,0,0,0,0,0|2,0,0]=3 455 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100011933949_100000210326 [1,0,0,0,0,0|2,0,0]=3 456 B15R0.70 C=CCCCCCCCCSCCCCF 62a_100000729493_100011933949 [1,0,0,0,0,0|3,0,0]=4 457 B15R0.70 C=CCCCCCCCCSCCCCF 62a_100011933949_100000729493 [1,0,0,0,0,0|3,0,0]=4 458 B15R0.70 C=CCCCCCCCCSCCCCO 62a_100000210776_100011933949 [1,0,0,0,0,0|3,0,0]=4 459 B15R0.70 C=CCCCCCCCCSCCCCO 62a_100011933949_100000210776 [1,0,0,0,0,0|3,0,0]=4 460 B15R0.70 C=CCCCCCCCCSCCCOC 62a_100000709357_100011933949 [1,0,0,0,0,0|3,0,0]=4 461 B15R0.70 C=CCCCCCCCCSCCCOC 62a_100011933949_100000709357 [1,0,0,0,0,0|3,0,0]=4 462 B15R0.70 C=CCCCCCCCCSCCOCC 62a_100000210147_100011933949 [1,0,0,0,0,0|3,0,0]=4 463 B15R0.70 C=CCCCCCCCCSCCOCC 62a_100011933949_100011215890 [1,0,0,0,0,0|3,0,0]=4 464 B15R0.70 C=CCCCCCCCCSCCSCC 62a_100000757381_100011933949 [1,0,0,0,0,0|3,0,0]=4 465 B15R0.70 C=CCCCCCCCCSCCSCC 62a_100011933949_100000757381 [1,0,0,0,0,0|3,0,0]=4 466 B15R0.70 C=CCCCCCCCNCCCCCC 2230a_100000210581_100012355270 [1,0,0,0,0,0|2,0,1]=4 467 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000210259_100012355270 [1,0,0,0,0,0|2,0,1]=4 468 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000730831_100000210314 [1,0,0,0,0,0|2,0,1]=4 469 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000210259_100012355270 [1,0,0,0,0,0|2,0,1]=4 470 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000730831_100000210314 [1,0,0,0,0,0|2,0,1]=4 471 B15R0.70 C=CCCCCCCCOCOCCCC 34a_100000730831_100011995733 [1,0,0,0,0,0|1,0,1]=3 472 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100000210314_100012355270 [1,0,0,0,0,0|2,0,1]=4 473 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100012355270_100000210757 [1,0,0,0,0,0|2,0,1]=4 474 B15R0.70 C=CCCCCCCCSCOCCCC 62a_100011995733_100012355270 [1,0,0,0,0,0|1,0,1]=3 475 B15R0.70 C=CCCCCCCCSCOCCCC 62a_100012355270_100011995733 [1,0,0,0,0,0|1,0,1]=3 476 B15R0.70 C=CCCCCCCCSCOCCOC 62a_100000231047_100012355270 [1,0,0,0,0,0|2,0,1]=4 477 B15R0.70 C=CCCCCCCCSCOCCOC 62a_100012355270_100000231047 [1,0,0,0,0,0|2,0,1]=4 478 B15R0.70 C=CCCCCCCNCCCCCCC 2230a_100000229938_100011215473 [1,0,0,0,0,0|2,0,1]=4 479 B15R0.70 C=CCCCCCCNCCOCCOC 2230a_100000745349_100011215473 [1,0,0,0,0,0|2,0,1]=4 480 B15R0.70 C=CCCCCCCNCCOCCOC 34a_100000745349_100011215473 [1,0,0,0,0,0|2,0,1]=4 481 B15R0.70 C=CCCCCCCNCCSCCCC 2230a_100025743550_100011215473 [1,0,0,0,0,0|1,1,1]=4 482 B15R0.70 C=CCCCCCCOC/C=C/CCCC 34a_200016272032_100011215473 [1,0,0,0,0,0|2,0,0]=3 483 B15R0.70 C=CCCCCCCOC/C=C/CCCC 7a_200016272032_100011215473 [1,0,0,0,0,0|2,0,0]=3 484 B15R0.70 C=CCCCCCCOCC#CCCCC 34a_200000034558_100011215473 [1,0,0,0,0,0|2,0,1]=4 485 B15R0.70 C=CCCCCCCOCC#CCCCC 7a_200000034558_100011215473 [1,0,0,0,0,0|2,0,1]=4 486 B15R0.70 C=CCCCCCCOCCCCCCC 34a_100000210272_100011215473 [1,0,0,0,0,0|2,0,1]=4 487 B15R0.70 C=CCCCCCCOCCCCCCC 34a_200011216477_100000210614 [1,0,0,0,0,0|2,0,1]=4 488 B15R0.70 C=CCCCCCCOCCCCCCC 7a_100000210272_100011215473 [1,0,0,0,0,0|2,0,1]=4 489 B15R0.70 C=CCCCCCCOCCCCCCC 7a_200011216477_100000210614 [1,0,0,0,0,0|2,0,1]=4 490 B15R0.70 C=CCCCCCCOCCOCCCC 34a_100000210238_100011215473 [1,0,0,0,0,0|1,0,1]=3 491 B15R0.70 C=CCCCCCCOCCOCCCC 34a_200011216477_100000743108 [1,0,0,0,0,0|1,0,1]=3 492 B15R0.70 C=CCCCCCCOCCOCCCC 7a_100000210238_100011215473 [1,0,0,0,0,0|1,0,1]=3 493 B15R0.70 C=CCCCCCCOCCOCCCC 7a_200011216477_100000743108 [1,0,0,0,0,0|1,0,1]=3 494 B15R0.70 C=CCCCCCCOCCOCCNC 34a_100000228057_100011215473 [1,0,0,0,0,0|2,0,1]=4 495 B15R0.70 C=CCCCCCCOCCOCCOC 34a_100011215163_100011215473 [1,0,0,0,0,0|2,0,1]=4 496 B15R0.70 C=CCCCCCCOCCOCCOC 34a_200011216477_100000695917 [1,0,0,0,0,0|2,0,1]=4 497 B15R0.70 C=CCCCCCCOCCOCCOC 7a_100011215163_100011215473 [1,0,0,0,0,0|2,0,1]=4 498 B15R0.70 C=CCCCCCCOCCOCCOC 7a_200011216477_100000695917 [1,0,0,0,0,0|2,0,1]=4 499 B15R0.70 C=CCCCCCCOCCSCCCC 34a_200000230436_100011215473 [1,0,0,0,0,0|1,1,1]=4 500 B15R0.70 C=CCCCCCCOCCSCCCC 7a_200000230436_100011215473 [1,0,0,0,0,0|1,1,1]=4 501 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100000210614_100011215473 [1,0,0,0,0,0|2,0,1]=4 502 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100011215473_100000210316 [1,0,0,0,0,0|2,0,1]=4 503 B15R0.70 C=CCCCCCCSCCOCCCC 62a_100000743108_100011215473 [1,0,0,0,0,0|1,0,1]=3 504 B15R0.70 C=CCCCCCCSCCOCCCC 62a_100011215473_100000743108 [1,0,0,0,0,0|1,0,1]=3 505 B15R0.70 C=CCCCCCCSCCOCCOC 62a_100000695917_100011215473 [1,0,0,0,0,0|2,0,1]=4 506 B15R0.70 C=CCCCCCCSCCOCCOC 62a_100011215473_100000695917 [1,0,0,0,0,0|2,0,1]=4 507 B15R0.70 C=CCCCCCNCCCCCCCC 2230a_100000229939_100000700193 [1,0,0,0,0,0|2,0,1]=4 508 B15R0.70 C=CCCCCCNCCCCCCCC 34a_100000229939_100000700193 [1,0,0,0,0,0|2,0,1]=4 509 B15R0.70 C=CCCCCCNCCCOCCCC 2230a_200000211371_100000700193 [1,0,0,0,0,0|1,0,1]=3 510 B15R0.70 C=CCCCCCNCCCOCCCC 34a_200000211371_100000700193 [1,0,0,0,0,0|1,0,1]=3 511 B15R0.70 C=CCCCCCNCCCOCCCO 2230a_100011310245_100000700193 [1,0,0,0,0,0|2,0,1]=4 512 B15R0.70 C=CCCCCCNCCCOCCCO 34a_100011310245_100000700193 [1,0,0,0,0,0|2,0,1]=4 513 B15R0.70 C=CCCCCCNCCCOCCOC 2230a_100000206027_100000700193 [1,0,0,0,0,0|2,0,1]=4 514 B15R0.70 C=CCCCCCNCCCOCCOC 34a_100000206027_100000700193 [1,0,0,0,0,0|2,0,1]=4 515 B15R0.70 C=CCCCCCOC/C=C/CCCCC 34a_100016258190_100000700193 [1,0,0,0,0,0|2,0,1]=4 516 B15R0.70 C=CCCCCCOC/C=C/CCCCC 7a_100016258190_100000700193 [1,0,0,0,0,0|2,0,1]=4 517 B15R0.70 C=CCCCCCOCC/C=C\CCCC 34a_200016286491_100000700193 [1,0,0,0,0,0|2,0,0]=3 518 B15R0.70 C=CCCCCCOCC/C=C\CCCC 7a_200016286491_100000700193 [1,0,0,0,0,0|2,0,0]=3 519 B15R0.70 C=CCCCCCOCCC#CCCCC 34a_100000037610_100000700193 [1,0,0,0,0,0|2,0,1]=4 520 B15R0.70 C=CCCCCCOCCC#CCCCC 7a_100000037610_100000700193 [1,0,0,0,0,0|2,0,1]=4 521 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100000210232_100000700193 [1,0,0,0,0,0|2,0,1]=4 522 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100011216702_100000210759 [1,0,0,0,0,0|2,0,1]=4 523 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100000210232_100000700193 [1,0,0,0,0,0|2,0,1]=4 524 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100011216702_100000210759 [1,0,0,0,0,0|2,0,1]=4 525 B15R0.70 C=CCCCCCOCCCOCCCC 34a_200011215613_100000700193 [1,0,0,0,0,0|1,0,1]=3 526 B15R0.70 C=CCCCCCOCCCOCCCC 7a_200011215613_100000700193 [1,0,0,0,0,0|1,0,1]=3 527 B15R0.70 C=CCCCCCOCCCOCCCN 34a_100011310245_100000700193 [1,0,0,0,0,0|2,0,1]=4 528 B15R0.70 C=CCCCCCOCCCOCCOC 34a_100011216702_100011216529 [1,0,0,0,0,0|2,0,1]=4 529 B15R0.70 C=CCCCCCOCCCOCCOC 7a_100011216702_100011216529 [1,0,0,0,0,0|2,0,1]=4 530 B15R0.70 C=CCCCCCOCCNCCCCC 34a_100000224656_100000700193 [1,0,0,0,0,0|3,0,0]=4 531 B15R0.70 C=CCCCCCOCCOCCCCC 34a_100011215259_100000700193 [1,0,0,0,0,0|3,0,0]=4 532 B15R0.70 C=CCCCCCOCCOCCCCC 7a_100011215259_100000700193 [1,0,0,0,0,0|3,0,0]=4 533 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000210759_100000700193 [1,0,0,0,0,0|2,0,1]=4 534 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000700193_100000210317 [1,0,0,0,0,0|2,0,1]=4 535 B15R0.70 C=CCCCCCSCCCOCCOC 62a_100000700193_100011216529 [1,0,0,0,0,0|2,0,1]=4 536 B15R0.70 C=CCCCCCSCCCOCCOC 62a_100011216529_100000700193 [1,0,0,0,0,0|2,0,1]=4 537 B15R0.70 C=CCCCCNCCCC#CCCCC 2230a_100000703577_200000047210 [1,0,0,0,0,0|2,0,1]=4 538 B15R0.70 C=CCCCCNCCCC#CCCCC 34a_100000703577_200000047210 [1,0,0,0,0,0|2,0,1]=4 539 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000212291_100011215482 [1,0,0,0,0,0|2,0,1]=4 540 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000703577_100011214924 [1,0,0,0,0,0|2,0,1]=4 541 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000212291_100011215482 [1,0,0,0,0,0|2,0,1]=4 542 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000703577_100011214924 [1,0,0,0,0,0|2,0,1]=4 543 B15R0.70 C=CCCCCOCC/C=C\CCCCC 34a_100016277358_100011215482 [1,0,0,0,0,0|2,0,1]=4 544 B15R0.70 C=CCCCCOCC/C=C\CCCCC 7a_100016277358_100011215482 [1,0,0,0,0,0|2,0,1]=4 545 B15R0.70 C=CCCCCOCCCC#CCCCC 34a_100000766645_200000047210 [1,0,0,0,0,0|2,0,1]=4 546 B15R0.70 C=CCCCCOCCCC#CCCCC 7a_100000766645_200000047210 [1,0,0,0,0,0|2,0,1]=4 547 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000210712_100011215482 [1,0,0,0,0,0|2,0,1]=4 548 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000766645_100011214924 [1,0,0,0,0,0|2,0,1]=4 549 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000210712_100011215482 [1,0,0,0,0,0|2,0,1]=4 550 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000766645_100000210328 [1,0,0,0,0,0|2,0,1]=4 551 B15R0.70 C=CCCCCOCCCCNCCCC 34a_200011216965_100011215482 [1,0,0,0,0,0|2,0,1]=4 552 B15R0.70 C=CCCCCOCCCCOCCCC 34a_200000760531_100011215482 [1,0,0,0,0,0|1,0,1]=3 553 B15R0.70 C=CCCCCOCCCCOCCCC 7a_200000760531_100011215482 [1,0,0,0,0,0|1,0,1]=3 554 B15R0.70 C=CCCCCSCCCC#CCCCC 62a_100011215482_200000047210 [1,0,0,0,0,0|2,0,1]=4 555 B15R0.70 C=CCCCCSCCCC#CCCCC 62a_200000047210_100011215482 [1,0,0,0,0,0|2,0,1]=4 556 B15R0.70 C=CCCCCSCCCCCCCCC 62a_100011215482_100000210670 [1,0,0,0,0,0|2,0,1]=4 557 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000684558_100011713584 [1,0,0,0,0,0|2,0,1]=4 558 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000700776_100000210320 [1,0,0,0,0,0|2,0,1]=4 559 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000684558_100000757094 [1,0,0,0,0,0|2,0,1]=4 560 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000700776_100000210320 [1,0,0,0,0,0|2,0,1]=4 561 B15R0.70 C=CCCCOCCC/C=C\CCCCC 34a_100020655193_100000757094 [1,0,0,0,0,0|2,0,1]=4 562 B15R0.70 C=CCCCOCCC/C=C\CCCCC 7a_100020655193_100000757094 [1,0,0,0,0,0|2,0,1]=4 563 B15R0.70 C=CCCCOCCCC/C=C/CCCC 34a_200020645093_100000757094 [1,0,0,0,0,0|2,0,0]=3 564 B15R0.70 C=CCCCOCCCC/C=C/CCCC 7a_200020645093_100000757094 [1,0,0,0,0,0|2,0,0]=3 565 B15R0.70 C=CCCCOCCCCC#CCCCC 34a_200000066234_100000757094 [1,0,0,0,0,0|2,0,1]=4 566 B15R0.70 C=CCCCOCCCCC#CCCCC 7a_200000066234_100000757094 [1,0,0,0,0,0|2,0,1]=4 567 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000210711_100000757094 [1,0,0,0,0,0|2,0,1]=4 568 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000758997_100000210320 [1,0,0,0,0,0|2,0,1]=4 569 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000210711_100000757094 [1,0,0,0,0,0|2,0,1]=4 570 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000758997_100000210320 [1,0,0,0,0,0|2,0,1]=4 571 B15R0.70 C=CCCCOCCOCCOCCCC 34a_100011215186_100000757094 [1,0,0,0,0,0|2,0,1]=4 572 B15R0.70 C=CCCCOCCOCCOCCCC 7a_100011215186_100000757094 [1,0,0,0,0,0|2,0,1]=4 573 B15R0.70 C=CCCCSCCCCCCCCCC 62a_100011713584_100000210320 [1,0,0,0,0,0|2,0,1]=4 574 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_100015191253_100011215454 [1,0,0,0,0,0|2,0,1]=4 575 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_200011215754_100000754431 [1,0,0,0,0,0|2,0,1]=4 576 B15R0.70 C=CCCNCCCCCCCCCCC 34a_200011215754_100000754431 [1,0,0,0,0,0|2,0,1]=4 577 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100000210809_100000754431 [1,0,0,0,0,0|2,0,1]=4 578 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100011205117_100011215454 [1,0,0,0,0,0|2,0,1]=4 579 B15R0.70 C=CCCOCCCCCCCCCCC 7a_100000210809_100000754431 [1,0,0,0,0,0|2,0,1]=4 580 B15R0.70 C=CCCSCCCCCCCCCCC 62a_100000754431_100011215454 [1,0,0,0,0,0|2,0,1]=4 581 B15R0.70 C=CCNCCCCCCC#CCCCC 2230a_100020586998_200000043322 [1,0,0,0,0,0|2,0,1]=4 582 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100000210451_100000210623 [1,0,0,0,0,0|2,0,1]=4 583 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100020586998_100011215052 [1,0,0,0,0,0|2,0,1]=4 584 B15R0.70 C=CCNCCCCCCCCCCCC 270004a_100020586998_100011218549 [1,0,0,0,0,0|2,0,1]=4 585 B15R0.70 C=CCNCCCCCCCCCCCC 34a_100000210451_100015514636 [1,0,0,0,0,0|2,0,1]=4 586 B15R0.70 C=CCOCCCCCCC#CCCCC 34a_200000210373_200000043322 [1,0,0,0,0,0|2,0,1]=4 587 B15R0.70 C=CCOCCCCCCCCCCCC 34a_100000210810_100015514636 [1,0,0,0,0,0|2,0,1]=4 588 B15R0.70 C=CCOCCCCCCCCCCCC 34a_200000210373_100000759014 [1,0,0,0,0,0|2,0,1]=4 589 B15R0.70 C=CCOCCCCCCCCCCCC 7a_100000210810_100015514636 [1,0,0,0,0,0|2,0,1]=4 590 B15R0.70 C=CCSCCCCCCC#CCCCC 62a_100000210623_200000043322 [1,0,0,0,0,0|2,0,1]=4 591 B15R0.70 C=CCSCCCCCCC#CCCCC 62a_200000043322_100000210623 [1,0,0,0,0,0|2,0,1]=4 592 B15R0.70 C=CCSCCCCCCCCCCCC 62a_100000210623_100000759014 [1,0,0,0,0,0|2,0,1]=4 593 B15R0.70 C=COCCOCCCC/C=C/CCCC 34a_200020645093_100000039644 [1,0,0,0,0,0|3,0,0]=4 594 B15R0.70 C=COCCOCCCC/C=C/CCCC 7a_200020645093_100000039644 [1,0,0,0,0,0|3,0,0]=4 595 B15R0.70 CCCC/C=C/CCCCOCCCC=O 7a_200020645093_200011292268 [1,0,0,0,0,0|3,0,0]=4 596 B15R0.70 CCCC/C=C\CCCCCCCCOC 34a_100020587526_200000210301 [1,0,0,0,0,0|2,0,1]=4 597 B15R0.70 CCCC/C=C\CCCCCCCCOC 7a_100020587526_200000210301 [1,0,0,0,0,0|2,0,1]=4 598 B15R0.70 CCCC/C=C\CCCCCCCCO[13CH3] 34a_100020587526_200025704644 [1,0,0,0,0,0|2,0,1]=4 599 B15R0.70 CCCC/C=C\CCCCCCCCO[13CH3] 7a_100020587526_200025704644 [1,0,0,0,0,0|2,0,1]=4 600 B15R0.70 CCCC/C=C\CCOCCCCCC=O 7a_200016286491_100000139337 [1,0,0,0,0,0|3,0,0]=4 601 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210227_100011215454 [1,0,0,0,0,0|0,0,3]=4 602 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210809_100000210210 [1,0,0,0,0,0|0,0,3]=4 603 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210227_100011215454 [1,0,0,0,0,0|0,0,3]=4 604 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210809_100000210211 [1,0,0,0,0,0|0,0,3]=4 605 B15R0.70 CCCCOCCCCCCCCCCBr 34a_100009813290_100000210210 [1,0,0,0,0,0|1,0,2]=4 606 B15R0.70 CCCCOCCCCCCCCCCBr 7a_100009813290_100000210211 [1,0,0,0,0,0|1,0,2]=4 607 B15R0.70 CCCCOCCCCCCCCCCCl 34a_200000033068_100000210210 [1,0,0,0,0,0|1,0,2]=4 608 B15R0.70 CCCCOCCCCCCCCCCCl 7a_200000033068_100000210211 [1,0,0,0,0,0|1,0,2]=4 609 B15R0.70 CCCCOCCCCCCCCCCN 34a_100000066964_100000210210 [1,0,0,0,0,0|1,0,2]=4 610 B15R0.70 CCCCOCCCCCCCCCCO 34a_100000210227_100009813290 [1,0,0,0,0,0|1,0,2]=4 611 B15R0.70 CCCCOCCCCCCCCCCO 7a_100000210227_100009813290 [1,0,0,0,0,0|1,0,2]=4 612 B15R0.70 CCCCOCCCCOCCCCC=O 7a_200000760531_100000139335 [1,0,0,0,0,0|2,0,1]=4 613 B15R0.70 CCCCOCCCNCCCCCC=O 2230a_200000211371_100000139337 [1,0,0,0,0,0|2,0,1]=4 614 B15R0.70 CCCCOCCCOCCCCCC=O 7a_200011215613_100000139337 [1,0,0,0,0,0|2,0,1]=4 615 B15R0.322 C#CCCCC(=O)CCCCCCCC=C 1458a_100000690238_100012355270 [1,0,0,0,0,0|1,0,2]=4 616 B15R0.322 C#CCCCC(=O)CCCCCCCC=C 1458a_100011216160_100000731252 [1,0,0,0,0,0|1,0,2]=4 617 B15R0.322 C#CCCCCCCCC(=O)CCCCC 1458a_100000087357_100000210326 [1,0,0,0,0,0|1,0,2]=4 618 B15R0.322 C#CCCCCCCCC(=O)CCCCC 1458a_100000212188_100153394163 [1,0,0,0,0,0|1,0,2]=4 619 B15R0.322 C#CCCCCCCCC(=O)NCCCC 11a_100000102301_100000087357 [1,0,0,0,0,0|1,0,2]=4 620 B15R0.322 C#CCCCCCCCC(=O)NCCCC 1626a_100000102301_100000087357 [1,0,0,0,0,0|1,0,2]=4 621 B15R0.322 C#CCCCCCCCC(=O)NCCCC 240690a_100000102301_100000087357 [1,0,0,0,0,0|1,0,2]=4 622 B15R0.322 C#CCCCCCCCC(=O)NCCCC 527a_100000102301_100000087357 [1,0,0,0,0,0|1,0,2]=4 623 B15R0.322 C#CCCCCCOCC(=O)OCCCC 34a_100000766912_100000211628 [1,0,0,0,0,0|1,0,2]=4 624 B15R0.322 C#CCCCCCOCC(=O)OCCCC 7a_100000766912_100000211628 [1,0,0,0,0,0|1,0,2]=4 625 B15R0.322 C#CCCCCCSCC(=O)OCCCC 62a_100000211628_100012094781 [1,0,0,0,0,0|1,0,2]=4 626 B15R0.322 C#CCCCCCSCC(=O)OCCCC 62a_100012094781_100000211628 [1,0,0,0,0,0|1,0,2]=4 627 B15R0.322 C#CCCNC(=O)CCCCCCCC=C 11a_100000755551_100011216160 [1,0,0,0,0,0|1,0,2]=4 628 B15R0.322 C#CCCNC(=O)CCCCCCCC=C 1626a_100000755551_100011216160 [1,0,0,0,0,0|1,0,2]=4 629 B15R0.322 C#CCCNC(=O)CCCCCCCC=C 240690a_100000755551_100011216160 [1,0,0,0,0,0|1,0,2]=4 630 B15R0.322 C#CCCNC(=O)CCCCCCCC=C 527a_100000755551_100011216160 [1,0,0,0,0,0|1,0,2]=4 631 B15R0.322 C=CCCCCCCCC(=O)C#CCCC 1458a_200011218047_100012355270 [1,0,0,0,0,0|1,0,1]=3 632 B15R0.322 C=CCCCCCCCC(=O)C/C=C/CC 1458a_100016274230_100012355270 [1,0,0,0,0,0|1,0,2]=4 633 B15R0.322 C=CCCCCCCCC(=O)C/C=C\CC 1458a_100011216160_100103147603 [1,0,0,0,0,0|1,0,2]=4 634 B15R0.322 C=CCCCCCCCC(=O)C=CCCC 1458a_100000212230_100012355270 [1,0,0,0,0,0|1,0,1]=3 635 B15R0.322 C=CCCCCCCCC(=O)C=CCOC 1458a_100016285016_100012355270 [1,0,0,0,0,0|2,0,1]=4 636 B15R0.322 C=CCCCCCCCC(=O)C=COCC 1458a_100016266692_100012355270 [1,0,0,0,0,0|2,0,1]=4 637 B15R0.322 C=CCCCCCCCC(=O)CC#CCC 1458a_100011216160_100009813939 [1,0,0,0,0,0|1,0,2]=4 638 B15R0.322 C=CCCCCCCCC(=O)CCCC#N 1458a_100000075515_100012355270 [1,0,0,0,0,0|2,0,1]=4 639 B15R0.322 C=CCCCCCCCC(=O)CCCC#N 1458a_100011216160_100000211468 [1,0,0,0,0,0|2,0,1]=4 640 B15R0.322 C=CCCCCCCCC(=O)CCCC=C 1458a_100000766728_100012355270 [1,0,0,0,0,0|1,0,2]=4 641 B15R0.322 C=CCCCCCCCC(=O)CCCC=C 1458a_100011216160_100000757094 [1,0,0,0,0,0|1,0,2]=4 642 B15R0.322 C=CCCCCCCCC(=O)CCCCC 1458a_100000212188_100012355270 [1,0,0,0,0,0|1,0,0]=2 643 B15R0.322 C=CCCCCCCCC(=O)CCCCC 1458a_100011216160_100000210326 [1,0,0,0,0,0|1,0,0]=2 644 B15R0.322 C=CCCCCCCCC(=O)CCCCF 1458a_100011216160_100000729493 [1,0,0,0,0,0|2,0,0]=3 645 B15R0.322 C=CCCCCCCCC(=O)CCCCO 1458a_100000695505_100012355270 [1,0,0,0,0,0|2,0,0]=3 646 B15R0.322 C=CCCCCCCCC(=O)CCCCO 1458a_100011216160_100000210776 [1,0,0,0,0,0|2,0,0]=3 647 B15R0.322 C=CCCCCCCCC(=O)CCCOC 1458a_100000741012_100012355270 [1,0,0,0,0,0|2,0,0]=3 648 B15R0.322 C=CCCCCCCCC(=O)CCCOC 1458a_100011216160_100000740836 [1,0,0,0,0,0|2,0,0]=3 649 B15R0.322 C=CCCCCCCCC(=O)CCCSC 1458a_100000173376_100012355270 [1,0,0,0,0,0|2,0,0]=3 650 B15R0.322 C=CCCCCCCCC(=O)CCOCC 1458a_100000749530_100012355270 [1,0,0,0,0,0|2,0,0]=3 651 B15R0.322 C=CCCCCCCCC(=O)CCOCC 1458a_100011216160_100011215890 [1,0,0,0,0,0|2,0,0]=3 652 B15R0.322 C=CCCCCCCCC(=O)CCSCC 1458a_100000230768_100012355270 [1,0,0,0,0,0|2,0,0]=3 653 B15R0.322 C=CCCCCCCCC(=O)CCSCC 1458a_100011216160_100000757381 [1,0,0,0,0,0|2,0,0]=3 654 B15R0.322 C=CCCCCCCCC(=O)COCCC 1458a_100000745993_100012355270 [1,0,0,0,0,0|2,0,0]=3 655 B15R0.322 C=CCCCCCCCC(=O)COCCO 1458a_100000708028_100012355270 [1,0,0,0,0,0|3,0,0]=4 656 B15R0.322 C=CCCCCCCCC(=O)CSCCC 1458a_100000217233_100012355270 [1,0,0,0,0,0|2,0,0]=3 657 B15R0.322 C=CCCCCCCCC(=O)NCC#CC 11a_100000685387_100011216160 [1,0,0,0,0,0|1,0,2]=4 658 B15R0.322 C=CCCCCCCCC(=O)NCC#CC 1626a_100000685387_100011216160 [1,0,0,0,0,0|1,0,2]=4 659 B15R0.322 C=CCCCCCCCC(=O)NCC#CC 527a_100000685387_100011216160 [1,0,0,0,0,0|1,0,2]=4 660 B15R0.322 C=CCCCCCCCC(=O)NCCC#N 11a_100000720768_100011216160 [1,0,0,0,0,0|2,0,1]=4 661 B15R0.322 C=CCCCCCCCC(=O)NCCC#N 1626a_100000720768_100011216160 [1,0,0,0,0,0|2,0,1]=4 662 B15R0.322 C=CCCCCCCCC(=O)NCCC#N 240690a_100000720768_100011216160 [1,0,0,0,0,0|2,0,1]=4 663 B15R0.322 C=CCCCCCCCC(=O)NCCC#N 527a_100000720768_100011216160 [1,0,0,0,0,0|2,0,1]=4 664 B15R0.322 C=CCCCCCCCC(=O)NCCC=C 11a_100015191253_100011216160 [1,0,0,0,0,0|1,0,2]=4 665 B15R0.322 C=CCCCCCCCC(=O)NCCC=C 1626a_100015191253_100011216160 [1,0,0,0,0,0|1,0,2]=4 666 B15R0.322 C=CCCCCCCCC(=O)NCCC=C 240690a_100015191253_100011216160 [1,0,0,0,0,0|1,0,2]=4 667 B15R0.322 C=CCCCCCCCC(=O)NCCC=C 527a_100015191253_100011216160 [1,0,0,0,0,0|1,0,2]=4 668 B15R0.322 C=CCCCCCCCC(=O)NCCCC 11a_100000102301_100011216160 [1,0,0,0,0,0|1,0,0]=2 669 B15R0.322 C=CCCCCCCCC(=O)NCCCC 1626a_100000102301_100011216160 [1,0,0,0,0,0|1,0,0]=2 670 B15R0.322 C=CCCCCCCCC(=O)NCCCC 240690a_100000102301_100011216160 [1,0,0,0,0,0|1,0,0]=2 671 B15R0.322 C=CCCCCCCCC(=O)NCCCC 527a_100000102301_100011216160 [1,0,0,0,0,0|1,0,0]=2 672 B15R0.322 C=CCCCCCCCC(=O)NCCCF 11a_100015189416_100011216160 [1,0,0,0,0,0|2,0,0]=3 673 B15R0.322 C=CCCCCCCCC(=O)NCCCF 1626a_100015189416_100011216160 [1,0,0,0,0,0|2,0,0]=3 674 B15R0.322 C=CCCCCCCCC(=O)NCCCF 240690a_100015189416_100011216160 [1,0,0,0,0,0|2,0,0]=3 675 B15R0.322 C=CCCCCCCCC(=O)NCCCF 527a_100015189416_100011216160 [1,0,0,0,0,0|2,0,0]=3 676 B15R0.322 C=CCCCCCCCC(=O)NCCCO 240690a_100000182051_100011216160 [1,0,0,0,0,0|2,0,0]=3 677 B15R0.322 C=CCCCCCCCC(=O)NCCCO 527a_100000182051_100011216160 [1,0,0,0,0,0|2,0,0]=3 678 B15R0.322 C=CCCCCCCCC(=O)NCCOC 1626a_100000209980_100011216160 [1,0,0,0,0,0|2,0,0]=3 679 B15R0.322 C=CCCCCCCCC(=O)NCCOC 240690a_100000209980_100011216160 [1,0,0,0,0,0|2,0,0]=3 680 B15R0.322 C=CCCCCCCCC(=O)NCCOC 527a_100000209980_100011216160 [1,0,0,0,0,0|2,0,0]=3 681 B15R0.322 C=CCCCCCCCC(=O)NCCSC 11a_100020590264_100011216160 [1,0,0,0,0,0|2,0,0]=3 682 B15R0.322 C=CCCCCCCCC(=O)NCCSC 1626a_100020590264_100011216160 [1,0,0,0,0,0|2,0,0]=3 683 B15R0.322 C=CCCCCCCCC(=O)NCCSC 240690a_100020590264_100011216160 [1,0,0,0,0,0|2,0,0]=3 684 B15R0.322 C=CCCCCCCCC(=O)NCCSC 527a_100020590264_100011216160 [1,0,0,0,0,0|2,0,0]=3 685 B15R0.322 C=CCCCCCCCC(=O)NNCCC 22a_100000740057_100011216160 [1,0,0,0,0,0|2,0,0]=3 686 B15R0.322 C=CCCCCCCCC(=O)NNCCO 22a_100000210001_100011216160 [1,0,0,0,0,0|3,0,0]=4 687 B15R0.322 C=CCCCCCCCN(C)CCCCC 2230a_100000223495_100012355270 [1,0,0,0,0,0|3,0,0]=4 688 B15R0.322 C=CCCCCCCCN(C)CCCCC 269982a_100000223495_100012355270 [1,0,0,0,0,0|3,0,0]=4 689 B15R0.322 C=CCCCCCNCC(=O)NCCOC 2230a_100000754632_100000700193 [1,0,0,0,0,0|3,0,0]=4 690 B15R0.322 C=CCCCCCOCC(=O)CCCCC 34a_100011216702_200012276598 [1,0,0,0,0,0|2,0,0]=3 691 B15R0.322 C=CCCCCCOCC(=O)CCCCC 7a_100011216702_200012276598 [1,0,0,0,0,0|2,0,0]=3 692 B15R0.322 C=CCCCCCOCC(=O)NCCCC 34a_100011216702_100000182744 [1,0,0,0,0,0|2,0,0]=3 693 B15R0.322 C=CCCCCCOCC(=O)NCCCC 7a_100011216702_100000182744 [1,0,0,0,0,0|2,0,0]=3 694 B15R0.322 C=CCCCCCOCC(=O)NCCOC 34a_100011216702_100000183275 [1,0,0,0,0,0|3,0,0]=4 695 B15R0.322 C=CCCCCCOCC(=O)NCCOC 7a_100011216702_100000183275 [1,0,0,0,0,0|3,0,0]=4 696 B15R0.322 C=CCCCCCOCC(=O)OCCCC 34a_100011216702_100000211628 [1,0,0,0,0,0|1,0,0]=2 697 B15R0.322 C=CCCCCCOCC(=O)OCCCC 7a_100011216702_100000211628 [1,0,0,0,0,0|1,0,0]=2 698 B15R0.322 C=CCCCCCOCC(=O)OCCOC 34a_100011216702_200000040189 [1,0,0,0,0,0|2,0,0]=3 699 B15R0.322 C=CCCCCCOCC(=O)OCCOC 7a_100011216702_200000040189 [1,0,0,0,0,0|2,0,0]=3 700 B15R0.322 C=CCCCCCSCC(=O)CCCCC 62a_100000700193_200012276598 [1,0,0,0,0,0|2,0,0]=3 701 B15R0.322 C=CCCCCCSCC(=O)CCCCC 62a_200012276598_100000700193 [1,0,0,0,0,0|2,0,0]=3 702 B15R0.322 C=CCCCCCSCC(=O)NCCCC 62a_100000182744_100000700193 [1,0,0,0,0,0|2,0,0]=3 703 B15R0.322 C=CCCCCCSCC(=O)NCCCC 62a_100000700193_100000182744 [1,0,0,0,0,0|2,0,0]=3 704 B15R0.322 C=CCCCCCSCC(=O)NCCOC 62a_100000183275_100000700193 [1,0,0,0,0,0|3,0,0]=4 705 B15R0.322 C=CCCCCCSCC(=O)NCCOC 62a_100000700193_100000183275 [1,0,0,0,0,0|3,0,0]=4 706 B15R0.322 C=CCCCCCSCC(=O)OCCCC 62a_100000211628_100000700193 [1,0,0,0,0,0|1,0,0]=2 707 B15R0.322 C=CCCCCCSCC(=O)OCCCC 62a_100000700193_100000211628 [1,0,0,0,0,0|1,0,0]=2 708 B15R0.322 C=CCCCCCSCC(=O)OCCOC 62a_100000700193_200000040189 [1,0,0,0,0,0|2,0,0]=3 709 B15R0.322 C=CCCCCCSCC(=O)OCCOC 62a_200000040189_100000700193 [1,0,0,0,0,0|2,0,0]=3 710 B15R0.322 C=COCCCCOCC(=O)CCCCC 34a_100000031558_200012276598 [1,0,0,0,0,0|3,0,0]=4 711 B15R0.322 C=COCCCCOCC(=O)CCCCC 7a_100000031558_200012276598 [1,0,0,0,0,0|3,0,0]=4 712 B15R0.322 C=COCCCCOCC(=O)NCCCC 34a_100000031558_100000182744 [1,0,0,0,0,0|3,0,0]=4 713 B15R0.322 C=COCCCCOCC(=O)NCCCC 7a_100000031558_100000182744 [1,0,0,0,0,0|3,0,0]=4 714 B15R0.322 C=COCCCCOCC(=O)OCCCC 34a_100000031558_100000211628 [1,0,0,0,0,0|2,0,0]=3 715 B15R0.322 C=COCCCCOCC(=O)OCCCC 7a_100000031558_100000211628 [1,0,0,0,0,0|2,0,0]=3 716 B15R0.322 C=COCCCCOCC(=O)OCCOC 34a_100000031558_200000040189 [1,0,0,0,0,0|3,0,0]=4 717 B15R0.322 C=COCCCCOCC(=O)OCCOC 7a_100000031558_200000040189 [1,0,0,0,0,0|3,0,0]=4 718 B15R0.322 CCCC#CC(=O)CCCCCCCCC 1458a_200011218047_100000210670 [1,0,0,0,0,0|1,0,2]=4 719 B15R0.322 CCCC#CC(=O)CCCCCCCCO 1458a_200011218047_100000033203 [1,0,0,0,0,0|2,0,1]=4 720 B15R0.322 CCCC=CC(=O)CCCCCCCCC 1458a_100000212230_100000210670 [1,0,0,0,0,0|1,0,2]=4 721 B15R0.322 CCCC=CC(=O)CCCCCCCCO 1458a_100000212230_100000033203 [1,0,0,0,0,0|2,0,1]=4 722 B15R0.322 CCCCCC(=O)CCCCCCCCO 1458a_100000212188_100000033203 [1,0,0,0,0,0|2,0,0]=3 723 B15R0.322 CCCCCC(=O)CNCCCCCCO 2230a_100000686447_200012276598 [1,0,0,0,0,0|3,0,0]=4 724 B15R0.322 CCCCCC(=O)CNCCCCCCO 34a_100000686447_200012276598 [1,0,0,0,0,0|3,0,0]=4 725 B15R0.322 CCCCCC(=O)COCCCCCCBr 34a_100011215345_200012276598 [1,0,0,0,0,0|3,0,0]=4 726 B15R0.322 CCCCCC(=O)COCCCCCCBr 7a_100011215345_200012276598 [1,0,0,0,0,0|3,0,0]=4 727 B15R0.322 CCCCCC(=O)COCCCCCCCl 34a_100000766143_200012276598 [1,0,0,0,0,0|3,0,0]=4 728 B15R0.322 CCCCCC(=O)COCCCCCCCl 7a_100000766143_200012276598 [1,0,0,0,0,0|3,0,0]=4 729 B15R0.322 CCCCCC(=O)COCCCCCCF 34a_100000732779_200012276598 [1,0,0,0,0,0|3,0,0]=4 730 B15R0.322 CCCCCC(=O)COCCCCCCF 7a_100000732779_200012276598 [1,0,0,0,0,0|3,0,0]=4 731 B15R0.322 CCCCCC(=O)COCCCCCCN 34a_100000686447_200012276598 [1,0,0,0,0,0|3,0,0]=4 732 B15R0.322 CCCCCC(=O)CSCCCCCC=O 62a_100000139337_200012276598 [1,0,0,0,0,0|3,0,0]=4 733 B15R0.322 CCCCCC(=O)CSCCCCCC=O 62a_200012276598_100000139337 [1,0,0,0,0,0|3,0,0]=4 734 B15R0.322 CCCCCC(=O)CSCCCCCCF 62a_100015922095_200012276598 [1,0,0,0,0,0|3,0,0]=4 735 B15R0.322 CCCCCC(=O)CSCCCCCCF 62a_200012276598_100015922095 [1,0,0,0,0,0|3,0,0]=4 736 B15R0.322 CCCCCC(=O)CSCCCCCCO 62a_100000766143_200012276598 [1,0,0,0,0,0|3,0,0]=4 737 B15R0.322 CCCCCC(=O)CSCCCCCCO 62a_200012276598_100000766143 [1,0,0,0,0,0|3,0,0]=4 738 B15R0.322 CCCCCC(=O)NCCCCCCCO 240690a_100011996573_100000212188 [1,0,0,0,0,0|3,0,0]=4 739 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000210558_100000210326 [1,0,0,0,0,0|1,0,1]=3 740 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210670 [1,0,0,0,0,0|1,0,1]=3 741 B15R0.322 CCCCCCCCCC(=O)CCCCF 1458a_100000210558_100000729493 [1,0,0,0,0,0|2,0,1]=4 742 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000210558_100000210776 [1,0,0,0,0,0|2,0,1]=4 743 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210670 [1,0,0,0,0,0|2,0,1]=4 744 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000210558_100000740836 [1,0,0,0,0,0|2,0,1]=4 745 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210670 [1,0,0,0,0,0|2,0,1]=4 746 B15R0.322 CCCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210670 [1,0,0,0,0,0|2,0,1]=4 747 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000210558_100011215890 [1,0,0,0,0,0|2,0,1]=4 748 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210670 [1,0,0,0,0,0|2,0,1]=4 749 B15R0.322 CCCCCCCCCC(=O)CCSCC 1458a_100000210558_100000757381 [1,0,0,0,0,0|2,0,1]=4 750 B15R0.322 CCCCCCCCCC(=O)CCSCC 1458a_100000230768_100000210670 [1,0,0,0,0,0|2,0,1]=4 751 B15R0.322 CCCCCCCCCC(=O)COCCC 1458a_100000745993_100000210670 [1,0,0,0,0,0|2,0,1]=4 752 B15R0.322 CCCCCCCCCC(=O)CSCCC 1458a_100000217233_100000210670 [1,0,0,0,0,0|2,0,1]=4 753 B15R0.322 CCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210558 [1,0,0,0,0,0|1,0,1]=3 754 B15R0.322 CCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210558 [1,0,0,0,0,0|1,0,1]=3 755 B15R0.322 CCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210558 [1,0,0,0,0,0|1,0,1]=3 756 B15R0.322 CCCCCCCCCC(=O)NCCCC 527a_100000102301_100000210558 [1,0,0,0,0,0|1,0,1]=3 757 B15R0.322 CCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210558 [1,0,0,0,0,0|2,0,1]=4 758 B15R0.322 CCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210558 [1,0,0,0,0,0|2,0,1]=4 759 B15R0.322 CCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210558 [1,0,0,0,0,0|2,0,1]=4 760 B15R0.322 CCCCCCCCCC(=O)NCCCF 527a_100015189416_100000210558 [1,0,0,0,0,0|2,0,1]=4 761 B15R0.322 CCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210558 [1,0,0,0,0,0|2,0,1]=4 762 B15R0.322 CCCCCCCCCC(=O)NCCCO 527a_100000182051_100000210558 [1,0,0,0,0,0|2,0,1]=4 763 B15R0.322 CCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210558 [1,0,0,0,0,0|2,0,1]=4 764 B15R0.322 CCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210558 [1,0,0,0,0,0|2,0,1]=4 765 B15R0.322 CCCCCCCCCC(=O)NCCOC 527a_100000209980_100000210558 [1,0,0,0,0,0|2,0,1]=4 766 B15R0.322 CCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210558 [1,0,0,0,0,0|2,0,1]=4 767 B15R0.322 CCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210558 [1,0,0,0,0,0|2,0,1]=4 768 B15R0.322 CCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210558 [1,0,0,0,0,0|2,0,1]=4 769 B15R0.322 CCCCCCCCCC(=O)NCCSC 527a_100020590264_100000210558 [1,0,0,0,0,0|2,0,1]=4 770 B15R0.322 CCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210558 [1,0,0,0,0,0|2,0,1]=4 771 B15R0.322 CCCCCCCCCC(=O)OCNCC 2230a_100015525214_200010990708 [1,0,0,0,0,0|1,0,1]=3 772 B15R0.322 CCCCCCCCCC(=O)OCOCC 34a_100121572206_200010990708 [1,0,0,0,0,0|1,0,1]=3 773 B15R0.322 CCCCCCCCCC(=O)OCSCC 62a_100000210202_200010990708 [1,0,0,0,0,0|1,0,1]=3 774 B15R0.322 CCCCCCCCCC(=O)OCSCF 62a_100015361967_200010990708 [1,0,0,0,0,0|2,0,1]=4 775 B15R0.322 CCCCCCCCCC(C)OCCCC 34a_100011218016_100000210210 [1,0,0,0,0,0|1,0,2]=4 776 B15R0.322 CCCCCCCCCC(C)OCCCC 7a_100011218016_100000210211 [1,0,0,0,0,0|1,0,2]=4 777 B15R0.322 CCCCCCCCNC(=O)CCCCC 11a_100000229939_100000212188 [1,0,0,0,0,0|2,0,1]=4 778 B15R0.322 CCCCCCCCNC(=O)CCCCC 1626a_100000229939_100000212188 [1,0,0,0,0,0|2,0,1]=4 779 B15R0.322 CCCCCCCCNC(=O)CCCCC 240690a_100000229939_100000212188 [1,0,0,0,0,0|2,0,1]=4 780 B15R0.322 CCCCCCCCNC(=O)CCCCC 527a_100000229939_100000212188 [1,0,0,0,0,0|2,0,1]=4 781 B15R0.322 CCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000229939 [1,0,0,0,0,0|2,0,1]=4 782 B15R0.322 CCCCCCCCNC(=O)NCCCC 2708a_100000229939_100000102301 [1,0,0,0,0,0|2,0,1]=4 783 B15R0.322 CCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000229939 [1,0,0,0,0,0|2,0,1]=4 784 B15R0.322 CCCCCCCCNC(=O)NCCCC 273464a_100000229939_100000102301 [1,0,0,0,0,0|2,0,1]=4 785 B15R0.322 CCCCCCCCNC(=O)NCCCC 512a_100000102301_100000229939 [1,0,0,0,0,0|2,0,1]=4 786 B15R0.322 CCCCCCCCNC(=O)NCCCC 512a_100000229939_100000102301 [1,0,0,0,0,0|2,0,1]=4 787 B15R0.322 CCCCCCCNCC(=O)CCCCC 2230a_100000229938_200012276598 [1,0,0,0,0,0|2,0,1]=4 788 B15R0.322 CCCCCCCNCC(=O)NCCCC 2230a_100000229938_100000182744 [1,0,0,0,0,0|2,0,1]=4 789 B15R0.322 CCCCCCCNCC(=O)OCCCC 2230a_100000229938_100000211628 [1,0,0,0,0,0|1,0,1]=3 790 B15R0.322 CCCCCCCNCC(=O)OCCOC 2230a_100000229938_200000040189 [1,0,0,0,0,0|2,0,1]=4 791 B15R0.322 CCCCCCCOCC(=O)CCCCC 34a_100000210272_200012276598 [1,0,0,0,0,0|2,0,1]=4 792 B15R0.322 CCCCCCCOCC(=O)CCCCC 7a_100000210272_200012276598 [1,0,0,0,0,0|2,0,1]=4 793 B15R0.322 CCCCCCCOCC(=O)NCCCC 34a_100000210272_100000182744 [1,0,0,0,0,0|2,0,1]=4 794 B15R0.322 CCCCCCCOCC(=O)NCCCC 7a_100000210272_100000182744 [1,0,0,0,0,0|2,0,1]=4 795 B15R0.322 CCCCCCCOCC(=O)OCCCC 34a_100000210272_100000211628 [1,0,0,0,0,0|1,0,1]=3 796 B15R0.322 CCCCCCCOCC(=O)OCCCC 7a_100000210272_100000211628 [1,0,0,0,0,0|1,0,1]=3 797 B15R0.322 CCCCCCCOCC(=O)OCCOC 34a_100000210272_200000040189 [1,0,0,0,0,0|2,0,1]=4 798 B15R0.322 CCCCCCCOCC(=O)OCCOC 7a_100000210272_200000040189 [1,0,0,0,0,0|2,0,1]=4 799 B15R0.322 CCCCCCCSCC(=O)CCCCC 62a_100000210614_200012276598 [1,0,0,0,0,0|2,0,1]=4 800 B15R0.322 CCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210316 [1,0,0,0,0,0|2,0,1]=4 801 B15R0.322 CCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210316 [1,0,0,0,0,0|2,0,1]=4 802 B15R0.322 CCCCCCCSCC(=O)NCCCC 62a_100000210614_100000182744 [1,0,0,0,0,0|2,0,1]=4 803 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000210614_100000211628 [1,0,0,0,0,0|1,0,1]=3 804 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210316 [1,0,0,0,0,0|1,0,1]=3 805 B15R0.322 CCCCCCCSCC(=O)OCCOC 62a_100000210614_200000040189 [1,0,0,0,0,0|2,0,1]=4 806 B15R0.322 CCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210316 [1,0,0,0,0,0|2,0,1]=4 807 B15R0.322 CCCCNC(=O)CCCCCCCCO 240690a_100000102301_100000015970 [1,0,0,0,0,0|2,0,0]=3 808 B15R0.322 CCCCNC(=O)CNCCCCCCO 2230a_100000686447_100000182744 [1,0,0,0,0,0|3,0,0]=4 809 B15R0.322 CCCCNC(=O)CNCCCCCCO 34a_100000686447_100000182744 [1,0,0,0,0,0|3,0,0]=4 810 B15R0.322 CCCCNC(=O)COCCCCCCBr 34a_100011215345_100000182744 [1,0,0,0,0,0|3,0,0]=4 811 B15R0.322 CCCCNC(=O)COCCCCCCBr 7a_100011215345_100000182744 [1,0,0,0,0,0|3,0,0]=4 812 B15R0.322 CCCCNC(=O)COCCCCCCCl 34a_100000766143_100000182744 [1,0,0,0,0,0|3,0,0]=4 813 B15R0.322 CCCCNC(=O)COCCCCCCCl 7a_100000766143_100000182744 [1,0,0,0,0,0|3,0,0]=4 814 B15R0.322 CCCCNC(=O)COCCCCCCF 34a_100000732779_100000182744 [1,0,0,0,0,0|3,0,0]=4 815 B15R0.322 CCCCNC(=O)COCCCCCCF 7a_100000732779_100000182744 [1,0,0,0,0,0|3,0,0]=4 816 B15R0.322 CCCCNC(=O)COCCCCCCN 34a_100000686447_100000182744 [1,0,0,0,0,0|3,0,0]=4 817 B15R0.322 CCCCNC(=O)CSCCCCCC=O 62a_100000139337_100000182744 [1,0,0,0,0,0|3,0,0]=4 818 B15R0.322 CCCCNC(=O)CSCCCCCC=O 62a_100000182744_100000139337 [1,0,0,0,0,0|3,0,0]=4 819 B15R0.322 CCCCNC(=O)CSCCCCCCF 62a_100000182744_100015922095 [1,0,0,0,0,0|3,0,0]=4 820 B15R0.322 CCCCNC(=O)CSCCCCCCF 62a_100015922095_100000182744 [1,0,0,0,0,0|3,0,0]=4 821 B15R0.322 CCCCNC(=O)CSCCCCCCO 62a_100000182744_100000766143 [1,0,0,0,0,0|3,0,0]=4 822 B15R0.322 CCCCNC(=O)CSCCCCCCO 62a_100000766143_100000182744 [1,0,0,0,0,0|3,0,0]=4 823 B15R0.322 CCCCNC(=O)NCCCCCCCO 2708a_100000102301_100011996573 [1,0,0,0,0,0|3,0,0]=4 824 B15R0.322 CCCCNC(=O)NCCCCCCCO 2708a_100011996573_100000102301 [1,0,0,0,0,0|3,0,0]=4 825 B15R0.322 CCCCNC(=O)NCCCCCCCO 273464a_100000102301_100011996573 [1,0,0,0,0,0|3,0,0]=4 826 B15R0.322 CCCCNC(=O)NCCCCCCCO 273464a_100011996573_100000102301 [1,0,0,0,0,0|3,0,0]=4 827 B15R0.322 CCCCNC(=O)NCCCCCCCO 512a_100000102301_100011996573 [1,0,0,0,0,0|3,0,0]=4 828 B15R0.322 CCCCNC(=O)NCCCCCCCO 512a_100011996573_100000102301 [1,0,0,0,0,0|3,0,0]=4 829 B15R0.322 CCCCOC(=O)CNCCCCCCO 2230a_100000686447_100000211628 [1,0,0,0,0,0|2,0,0]=3 830 B15R0.322 CCCCOC(=O)CNCCCCCCO 34a_100000686447_100000211628 [1,0,0,0,0,0|2,0,0]=3 831 B15R0.322 CCCCOC(=O)CNCCCCCOC 2230a_100000747528_100000211628 [1,0,0,0,0,0|2,0,1]=4 832 B15R0.322 CCCCOC(=O)CNCCCCCOC 34a_100000747528_100000211628 [1,0,0,0,0,0|2,0,1]=4 833 B15R0.322 CCCCOC(=O)CNCCCOCCC 2230a_100011217757_100000211628 [1,0,0,0,0,0|2,0,1]=4 834 B15R0.322 CCCCOC(=O)CNCCCOCCC 34a_100011217757_100000211628 [1,0,0,0,0,0|2,0,1]=4 835 B15R0.322 CCCCOC(=O)CNCCSCCCC 2230a_100025743550_100000211628 [1,0,0,0,0,0|2,0,1]=4 836 B15R0.322 CCCCOC(=O)COCCCCCCBr 34a_100011215345_100000211628 [1,0,0,0,0,0|2,0,0]=3 837 B15R0.322 CCCCOC(=O)COCCCCCCBr 7a_100011215345_100000211628 [1,0,0,0,0,0|2,0,0]=3 838 B15R0.322 CCCCOC(=O)COCCCCCCCl 34a_100000766143_100000211628 [1,0,0,0,0,0|2,0,0]=3 839 B15R0.322 CCCCOC(=O)COCCCCCCCl 7a_100000766143_100000211628 [1,0,0,0,0,0|2,0,0]=3 840 B15R0.322 CCCCOC(=O)COCCCCCCF 34a_100000732779_100000211628 [1,0,0,0,0,0|2,0,0]=3 841 B15R0.322 CCCCOC(=O)COCCCCCCF 7a_100000732779_100000211628 [1,0,0,0,0,0|2,0,0]=3 842 B15R0.322 CCCCOC(=O)COCCCCCCN 34a_100000686447_100000211628 [1,0,0,0,0,0|2,0,0]=3 843 B15R0.322 CCCCOC(=O)COCCCCCNC 34a_100000722520_100000211628 [1,0,0,0,0,0|2,0,1]=4 844 B15R0.322 CCCCOC(=O)COCCSCCCC 34a_200000230436_100000211628 [1,0,0,0,0,0|2,0,1]=4 845 B15R0.322 CCCCOC(=O)COCCSCCCC 7a_200000230436_100000211628 [1,0,0,0,0,0|2,0,1]=4 846 B15R0.322 CCCCOC(=O)CSCCCCCC#N 62a_100000211628_100009813376 [1,0,0,0,0,0|2,0,1]=4 847 B15R0.322 CCCCOC(=O)CSCCCCCC#N 62a_100009813376_100000211628 [1,0,0,0,0,0|2,0,1]=4 848 B15R0.322 CCCCOC(=O)CSCCCCCC=O 62a_100000139337_100000211628 [1,0,0,0,0,0|2,0,0]=3 849 B15R0.322 CCCCOC(=O)CSCCCCCC=O 62a_100000211628_100000139337 [1,0,0,0,0,0|2,0,0]=3 850 B15R0.322 CCCCOC(=O)CSCCCCCCF 62a_100000211628_100015922095 [1,0,0,0,0,0|2,0,0]=3 851 B15R0.322 CCCCOC(=O)CSCCCCCCF 62a_100015922095_100000211628 [1,0,0,0,0,0|2,0,0]=3 852 B15R0.322 CCCCOC(=O)CSCCCCCCO 62a_100000211628_100000766143 [1,0,0,0,0,0|2,0,0]=3 853 B15R0.322 CCCCOC(=O)CSCCCCCCO 62a_100000766143_100000211628 [1,0,0,0,0,0|2,0,0]=3 854 B15R0.322 CCCCOCCOCC(=O)OCCCC 34a_100000210238_100000211628 [1,0,0,0,0,0|2,0,1]=4 855 B15R0.322 CCCCOCCOCC(=O)OCCCC 7a_100000210238_100000211628 [1,0,0,0,0,0|2,0,1]=4 856 B15R0.322 CCCCOCCSCC(=O)OCCCC 62a_100000211628_100000743108 [1,0,0,0,0,0|2,0,1]=4 857 B15R0.322 CCCCOCCSCC(=O)OCCCC 62a_100000743108_100000211628 [1,0,0,0,0,0|2,0,1]=4 858 B15R0.322 CCCNNC(=O)CCCCCCCCO 22a_100000740057_100000015970 [1,0,0,0,0,0|3,0,0]=4 859 B15R0.322 CCCOCC(=O)CCCCCCCCO 1458a_100000745993_100000033203 [1,0,0,0,0,0|3,0,0]=4 860 B15R0.322 CCCSCC(=O)CCCCCCCCO 1458a_100000217233_100000033203 [1,0,0,0,0,0|3,0,0]=4 861 B15R0.322 CCOCCC(=O)CCCCCCCCO 1458a_100000749530_100000033203 [1,0,0,0,0,0|3,0,0]=4 862 B15R0.322 CCSCCC(=O)CCCCCCCCO 1458a_100000230768_100000033203 [1,0,0,0,0,0|3,0,0]=4 863 B15R0.322 COCCCC(=O)CCCCCCCCO 1458a_100000741012_100000033203 [1,0,0,0,0,0|3,0,0]=4 864 B15R0.322 COCCNC(=O)CCCCCCCCO 240690a_100000209980_100000015970 [1,0,0,0,0,0|3,0,0]=4 865 B15R0.322 COCCOC(=O)CNCCCCCCO 2230a_100000686447_200000040189 [1,0,0,0,0,0|3,0,0]=4 866 B15R0.322 COCCOC(=O)CNCCCCCCO 34a_100000686447_200000040189 [1,0,0,0,0,0|3,0,0]=4 867 B15R0.322 COCCOC(=O)COCCCCCCBr 34a_100011215345_200000040189 [1,0,0,0,0,0|3,0,0]=4 868 B15R0.322 COCCOC(=O)COCCCCCCBr 7a_100011215345_200000040189 [1,0,0,0,0,0|3,0,0]=4 869 B15R0.322 COCCOC(=O)COCCCCCCCl 34a_100000766143_200000040189 [1,0,0,0,0,0|3,0,0]=4 870 B15R0.322 COCCOC(=O)COCCCCCCCl 7a_100000766143_200000040189 [1,0,0,0,0,0|3,0,0]=4 871 B15R0.322 COCCOC(=O)COCCCCCCF 34a_100000732779_200000040189 [1,0,0,0,0,0|3,0,0]=4 872 B15R0.322 COCCOC(=O)COCCCCCCF 7a_100000732779_200000040189 [1,0,0,0,0,0|3,0,0]=4 873 B15R0.322 COCCOC(=O)COCCCCCCN 34a_100000686447_200000040189 [1,0,0,0,0,0|3,0,0]=4 874 B15R0.322 COCCOC(=O)CSCCCCCC=O 62a_100000139337_200000040189 [1,0,0,0,0,0|3,0,0]=4 875 B15R0.322 COCCOC(=O)CSCCCCCC=O 62a_200000040189_100000139337 [1,0,0,0,0,0|3,0,0]=4 876 B15R0.322 COCCOC(=O)CSCCCCCCF 62a_100015922095_200000040189 [1,0,0,0,0,0|3,0,0]=4 877 B15R0.322 COCCOC(=O)CSCCCCCCF 62a_200000040189_100015922095 [1,0,0,0,0,0|3,0,0]=4 878 B15R0.322 COCCOC(=O)CSCCCCCCO 62a_100000766143_200000040189 [1,0,0,0,0,0|3,0,0]=4 879 B15R0.322 COCCOC(=O)CSCCCCCCO 62a_200000040189_100000766143 [1,0,0,0,0,0|3,0,0]=4 880 B15R0.322 CSCCCC(=O)CCCCCCCCO 1458a_100000173376_100000033203 [1,0,0,0,0,0|3,0,0]=4 881 B15R0.322 CSCCNC(=O)CCCCCCCCO 240690a_100020590264_100000015970 [1,0,0,0,0,0|3,0,0]=4 882 B15R0.322 O=C(CCCCCCCCO)NCCCF 240690a_100015189416_100000015970 [1,0,0,0,0,0|3,0,0]=4 883 B15R0.322 O=C(CCCCCCCCO)NCCCO 240690a_100000182051_100000015970 [1,0,0,0,0,0|3,0,0]=4 884 B15R0.322 O=C(CCCCO)CCCCCCCCO 1458a_100000695505_100000033203 [1,0,0,0,0,0|3,0,0]=4 885 B15R0.2002 C#CCCC(=O)CCCCCCCCC=C 1458a_100000211349_100000753159 [1,0,0,0,0,0|0,0,2]=3 886 B15R0.2002 C#CCCC(=O)CCCCCCCCC=C 1458a_100000692101_100011933949 [1,0,0,0,0,0|0,0,2]=3 887 B15R0.2002 C#CCCC(=O)CCOCCCCCC=C 34a_100011064465_100000700193 [1,0,0,0,0,0|1,0,2]=4 888 B15R0.2002 C#CCCC(=O)CCOCCCCCC=C 7a_100011064465_100000700193 [1,0,0,0,0,0|1,0,2]=4 889 B15R0.2002 C#CCCCCCCCCC(=O)CCCC 1458a_100000029693_100000210211 [1,0,0,0,0,0|0,0,2]=3 890 B15R0.2002 C#CCCCCCCCCC(=O)CCCF 1458a_100000029693_100011934791 [1,0,0,0,0,0|1,0,2]=4 891 B15R0.2002 C#CCCCCCCCCC(=O)CCCO 1458a_100000029693_100011215043 [1,0,0,0,0,0|1,0,2]=4 892 B15R0.2002 C#CCCCCCCCCC(=O)CCOC 1458a_100000029693_100000233755 [1,0,0,0,0,0|1,0,2]=4 893 B15R0.2002 C#CCCCCCCCCC(=O)CCSC 1458a_100000029693_100000751147 [1,0,0,0,0,0|1,0,2]=4 894 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 11a_100020643023_100000029693 [1,0,0,0,0,0|1,0,2]=4 895 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000029693 [1,0,0,0,0,0|1,0,2]=4 896 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000029693 [1,0,0,0,0,0|1,0,2]=4 897 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 527a_100020643023_100000029693 [1,0,0,0,0,0|1,0,2]=4 898 B15R0.2002 C#CCCCCCCOCC(=O)OCCC 34a_100011217361_200011215008 [1,0,0,0,0,0|1,0,2]=4 899 B15R0.2002 C#CCCCCCCOCC(=O)OCCC 7a_100011217361_200011215008 [1,0,0,0,0,0|1,0,2]=4 900 B15R0.2002 C#CCCCCCCSCC(=O)OCCC 62a_100012276617_200011215008 [1,0,0,0,0,0|1,0,2]=4 901 B15R0.2002 C#CCCCCCCSCC(=O)OCCC 62a_200011215008_100012276617 [1,0,0,0,0,0|1,0,2]=4 902 B15R0.2002 C#CCNC(=O)CCCCCCCCC=C 11a_100000212058_100000211349 [1,0,0,0,0,0|1,0,2]=4 903 B15R0.2002 C#CCNC(=O)CCCCCCCCC=C 1626a_100000212058_100000211349 [1,0,0,0,0,0|1,0,2]=4 904 B15R0.2002 C#CCNC(=O)CCCCCCCCC=C 240690a_100000212058_100000211349 [1,0,0,0,0,0|1,0,2]=4 905 B15R0.2002 C#CCNC(=O)CCCCCCCCC=C 527a_100000212058_100000211349 [1,0,0,0,0,0|1,0,2]=4 906 B15R0.2002 C=CCCC/C=C/COCC(=O)OCCC 34a_200016268473_200011215008 [1,0,0,0,0,0|1,0,2]=4 907 B15R0.2002 C=CCCC/C=C/COCC(=O)OCCC 7a_200016268473_200011215008 [1,0,0,0,0,0|1,0,2]=4 908 B15R0.2002 C=CCCCCCCCCC(=O)C#CCC 1458a_100011827653_100011933949 [1,0,0,0,0,0|0,0,2]=3 909 B15R0.2002 C=CCCCCCCCCC(=O)C#CCO 1458a_100000049017_100011933949 [1,0,0,0,0,0|1,0,2]=4 910 B15R0.2002 C=CCCCCCCCCC(=O)C/C=C/C 1458a_100000211349_100102629194 [1,0,0,0,0,0|0,0,2]=3 911 B15R0.2002 C=CCCCCCCCCC(=O)C=CCC 1458a_100000212282_100011933949 [1,0,0,0,0,0|0,0,2]=3 912 B15R0.2002 C=CCCCCCCCCC(=O)C=COC 1458a_100016268678_100011933949 [1,0,0,0,0,0|1,0,2]=4 913 B15R0.2002 C=CCCCCCCCCC(=O)CC#CC 1458a_100000211349_100000748600 [1,0,0,0,0,0|0,0,2]=3 914 B15R0.2002 C=CCCCCCCCCC(=O)CC=CC 1458a_100000211349_100000070051 [1,0,0,0,0,0|0,0,2]=3 915 B15R0.2002 C=CCCCCCCCCC(=O)CC=CC 1458a_100121576822_100011933949 [1,0,0,0,0,0|0,0,2]=3 916 B15R0.2002 C=CCCCCCCCCC(=O)CCC#N 1458a_100000211349_100011215226 [1,0,0,0,0,0|1,0,1]=3 917 B15R0.2002 C=CCCCCCCCCC(=O)CCC#N 1458a_100011934036_100011933949 [1,0,0,0,0,0|1,0,1]=3 918 B15R0.2002 C=CCCCCCCCCC(=O)CCC=C 1458a_100000211349_100000754431 [1,0,0,0,0,0|0,0,2]=3 919 B15R0.2002 C=CCCCCCCCCC(=O)CCC=C 1458a_100000749702_100011933949 [1,0,0,0,0,0|0,0,2]=3 920 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000210183_100011933949 [1,0,0,0,0,0|0,0,0]=1 921 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000211349_100000210211 [1,0,0,0,0,0|0,0,0]=1 922 B15R0.2002 C=CCCCCCCCCC(=O)CCCF 1458a_100000211349_100011934791 [1,0,0,0,0,0|1,0,0]=2 923 B15R0.2002 C=CCCCCCCCCC(=O)CCCO 1458a_100000211349_100011215043 [1,0,0,0,0,0|1,0,0]=2 924 B15R0.2002 C=CCCCCCCCCC(=O)CCOC 1458a_100000211349_100000233755 [1,0,0,0,0,0|1,0,0]=2 925 B15R0.2002 C=CCCCCCCCCC(=O)CCOC 1458a_100000749529_100011933949 [1,0,0,0,0,0|1,0,0]=2 926 B15R0.2002 C=CCCCCCCCCC(=O)CCSC 1458a_100000174002_100011933949 [1,0,0,0,0,0|1,0,0]=2 927 B15R0.2002 C=CCCCCCCCCC(=O)CCSC 1458a_100000211349_100000751147 [1,0,0,0,0,0|1,0,0]=2 928 B15R0.2002 C=CCCCCCCCCC(=O)COCC 1458a_100000211967_100011933949 [1,0,0,0,0,0|1,0,0]=2 929 B15R0.2002 C=CCCCCCCCCC(=O)CSCC 1458a_100000230394_100011933949 [1,0,0,0,0,0|1,0,0]=2 930 B15R0.2002 C=CCCCCCCCCC(=O)NCC#N 1626a_100000734998_100000211349 [1,0,0,0,0,0|2,0,1]=4 931 B15R0.2002 C=CCCCCCCCCC(=O)NCC#N 527a_100000734998_100000211349 [1,0,0,0,0,0|2,0,1]=4 932 B15R0.2002 C=CCCCCCCCCC(=O)NCC=C 1626a_100020586998_100000211349 [1,0,0,0,0,0|1,0,2]=4 933 B15R0.2002 C=CCCCCCCCCC(=O)NCC=C 240690a_100020586998_100000211349 [1,0,0,0,0,0|1,0,2]=4 934 B15R0.2002 C=CCCCCCCCCC(=O)NCC=C 527a_100020586998_100000211349 [1,0,0,0,0,0|1,0,2]=4 935 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 11a_100020643023_100000211349 [1,0,0,0,0,0|1,0,0]=2 936 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000211349 [1,0,0,0,0,0|1,0,0]=2 937 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000211349 [1,0,0,0,0,0|1,0,0]=2 938 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 527a_100020643023_100000211349 [1,0,0,0,0,0|1,0,0]=2 939 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 11a_100000724931_100000211349 [1,0,0,0,0,0|2,0,0]=3 940 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 1626a_100000724931_100000211349 [1,0,0,0,0,0|2,0,0]=3 941 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 240690a_100000724931_100000211349 [1,0,0,0,0,0|2,0,0]=3 942 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 527a_100000724931_100000211349 [1,0,0,0,0,0|2,0,0]=3 943 B15R0.2002 C=CCCCCCCCCC(=O)NCCO 240690a_100000210304_100000211349 [1,0,0,0,0,0|2,0,0]=3 944 B15R0.2002 C=CCCCCCCCCC(=O)NCCO 527a_100000210304_100000211349 [1,0,0,0,0,0|2,0,0]=3 945 B15R0.2002 C=CCCCCCCCCC(=O)NN=CC 4a_200000015944_200000210099 [1,0,0,0,0,0|2,0,1]=4 946 B15R0.2002 C=CCCCCCCCCC(=O)NNCC 22a_100000756455_100000211349 [1,0,0,0,0,0|2,0,0]=3 947 B15R0.2002 C=CCCCCCCCCN(C)CCCC 2230a_100000207549_100011933949 [1,0,0,0,0,0|2,0,0]=3 948 B15R0.2002 C=CCCCCCCCCN(C)CCCC 269982a_100000207549_100011933949 [1,0,0,0,0,0|2,0,0]=3 949 B15R0.2002 C=CCCCCCCCCN(C)CCCO 2230a_100000213112_100011933949 [1,0,0,0,0,0|3,0,0]=4 950 B15R0.2002 C=CCCCCCCCCN(C)CCCO 269982a_100000213112_100011933949 [1,0,0,0,0,0|3,0,0]=4 951 B15R0.2002 C=CCCCCCCCCN(C)CCOC 2230a_100000743101_100011933949 [1,0,0,0,0,0|3,0,0]=4 952 B15R0.2002 C=CCCCCCCCCN(C)CCOC 269982a_100000743101_100011933949 [1,0,0,0,0,0|3,0,0]=4 953 B15R0.2002 C=CCCCCCCCCN(C)CCSC 2230a_100000686725_100011933949 [1,0,0,0,0,0|3,0,0]=4 954 B15R0.2002 C=CCCCCCCCCN(C)CCSC 269982a_100000686725_100011933949 [1,0,0,0,0,0|3,0,0]=4 955 B15R0.2002 C=CCCCCCCCNC(C)CCCC 2230a_100000126638_100012355270 [1,0,0,0,0,0|2,0,1]=4 956 B15R0.2002 C=CCCCCCCCOC(C)CCCC 34a_100000687866_100012355270 [1,0,0,0,0,0|2,0,1]=4 957 B15R0.2002 C=CCCCCCCCOC(C)CCCC 34a_100000730831_200011215066 [1,0,0,0,0,0|2,0,1]=4 958 B15R0.2002 C=CCCCCCCCOC(C)CCCC 7a_100000687866_100012355270 [1,0,0,0,0,0|2,0,1]=4 959 B15R0.2002 C=CCCCCCCCOC(C)CCCC 7a_100000730831_200011215066 [1,0,0,0,0,0|2,0,1]=4 960 B15R0.2002 C=CCCCCCCCSC(C)CCCC 62a_100012355270_200011215066 [1,0,0,0,0,0|2,0,1]=4 961 B15R0.2002 C=CCCCCCCCSC(C)CCCC 62a_200011215066_100012355270 [1,0,0,0,0,0|2,0,1]=4 962 B15R0.2002 C=CCCCCCCNCC(=O)NCCC 2230a_100000174927_100011215473 [1,0,0,0,0,0|2,0,0]=3 963 B15R0.2002 C=CCCCCCCNCC(=O)NCCF 2230a_100000725713_100011215473 [1,0,0,0,0,0|3,0,0]=4 964 B15R0.2002 C=CCCCCCCNCC(C)OCCC 2230a_100015185124_100011215473 [1,0,0,0,0,0|2,0,1]=4 965 B15R0.2002 C=CCCCCCCNCC(C)OCCC 34a_100015185124_100011215473 [1,0,0,0,0,0|2,0,1]=4 966 B15R0.2002 C=CCCCCCCOCC(=C)OCOC 34a_200011216477_100000042856 [1,0,0,0,0,0|3,0,0]=4 967 B15R0.2002 C=CCCCCCCOCC(=O)NCCC 34a_200011216477_100000183358 [1,0,0,0,0,0|2,0,0]=3 968 B15R0.2002 C=CCCCCCCOCC(=O)NCCC 7a_200011216477_100000183358 [1,0,0,0,0,0|2,0,0]=3 969 B15R0.2002 C=CCCCCCCOCC(=O)OCC=C 34a_200011216477_100000033060 [1,0,0,0,0,0|1,0,2]=4 970 B15R0.2002 C=CCCCCCCOCC(=O)OCC=C 7a_200011216477_100000033060 [1,0,0,0,0,0|1,0,2]=4 971 B15R0.2002 C=CCCCCCCOCC(=O)OCCC 34a_200011216477_200011215008 [1,0,0,0,0,0|1,0,0]=2 972 B15R0.2002 C=CCCCCCCOCC(=O)OCCC 7a_200011216477_200011215008 [1,0,0,0,0,0|1,0,0]=2 973 B15R0.2002 C=CCCCCCCOCC(C)CCCC 34a_100011995851_100011215473 [1,0,0,0,0,0|2,0,1]=4 974 B15R0.2002 C=CCCCCCCOCC(C)CCCC 7a_100011995851_100011215473 [1,0,0,0,0,0|2,0,1]=4 975 B15R0.2002 C=CCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215473 [1,0,0,0,0,0|2,0,1]=4 976 B15R0.2002 C=CCCCCCCSCC(=C)OCOC 62a_100000042856_100011215473 [1,0,0,0,0,0|3,0,0]=4 977 B15R0.2002 C=CCCCCCCSCC(=C)OCOC 62a_100011215473_100000042856 [1,0,0,0,0,0|3,0,0]=4 978 B15R0.2002 C=CCCCCCCSCC(=O)NCCC 62a_100000183358_100011215473 [1,0,0,0,0,0|2,0,0]=3 979 B15R0.2002 C=CCCCCCCSCC(=O)NCCC 62a_100011215473_100000183358 [1,0,0,0,0,0|2,0,0]=3 980 B15R0.2002 C=CCCCCCCSCC(=O)OCC=C 62a_100000033060_100011215473 [1,0,0,0,0,0|1,0,2]=4 981 B15R0.2002 C=CCCCCCCSCC(=O)OCC=C 62a_100011215473_100000033060 [1,0,0,0,0,0|1,0,2]=4 982 B15R0.2002 C=CCCCCCCSCC(=O)OCCC 62a_100011215473_200011215008 [1,0,0,0,0,0|1,0,0]=2 983 B15R0.2002 C=CCCCCCCSCC(=O)OCCC 62a_200011215008_100011215473 [1,0,0,0,0,0|1,0,0]=2 984 B15R0.2002 C=CCCCCCOCOC(=O)OCCC 34a_100011216702_200000139673 [1,0,0,0,0,0|2,0,0]=3 985 B15R0.2002 C=CCCCCCOCOC(=O)OCCC 7a_100011216702_200000139673 [1,0,0,0,0,0|2,0,0]=3 986 B15R0.2002 C=CCCCCCSCOC(=O)OCCC 62a_100000700193_200000139673 [1,0,0,0,0,0|2,0,0]=3 987 B15R0.2002 C=CCCCCNCCCC(=O)NCCC 2230a_100000703577_100011194427 [1,0,0,0,0,0|2,0,0]=3 988 B15R0.2002 C=CCCCCOCCCC(=O)NCCC 7a_100000766645_100011194427 [1,0,0,0,0,0|2,0,0]=3 989 B15R0.2002 C=CCCCCSCCCC(=O)NCCC 62a_100011194427_100011215482 [1,0,0,0,0,0|2,0,0]=3 990 B15R0.2002 C=CCCCCSCCCC(=O)NCCC 62a_100011215482_100011194427 [1,0,0,0,0,0|2,0,0]=3 991 B15R0.2002 C=CCCCOCCCCC(C)CCCC 34a_200011021034_100000757094 [1,0,0,0,0,0|2,0,1]=4 992 B15R0.2002 C=CCCCOCCCCC(C)CCCC 7a_200011021034_100000757094 [1,0,0,0,0,0|2,0,1]=4 993 B15R0.2002 C=CCOCCOCCCC(=O)NCCC 7a_100000037705_100011194427 [1,0,0,0,0,0|3,0,0]=4 994 B15R0.2002 C=COCCCCOCOC(=O)OCCC 34a_100000031558_200000139673 [1,0,0,0,0,0|3,0,0]=4 995 B15R0.2002 C=COCCCCOCOC(=O)OCCC 7a_100000031558_200000139673 [1,0,0,0,0,0|3,0,0]=4 996 B15R0.2002 C=COCCCNCCCC(=O)NCCC 2230a_100000210767_100011194427 [1,0,0,0,0,0|3,0,0]=4 997 B15R0.2002 C=COCCOCCOCC(=O)OCCC 34a_100000039918_200011215008 [1,0,0,0,0,0|3,0,0]=4 998 B15R0.2002 C=COCCOCCOCC(=O)OCCC 7a_100000039918_200011215008 [1,0,0,0,0,0|3,0,0]=4 999 B15R0.2002 CC#CCCCCCCCC(=O)CCCC 1458a_100000066323_100000210211 [1,0,0,0,0,0|0,0,3]=4 1000 B15R0.2002 CCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210211 [1,0,0,0,0,0|1,0,1]=3 1001 B15R0.2002 CCCCC(=O)CCCCCCCCCO 1458a_100000210183_100009813782 [1,0,0,0,0,0|1,0,1]=3 1002 B15R0.2002 CCCCC(=O)NCCCCCCCCO 240690a_102515433106_100000210183 [1,0,0,0,0,0|2,0,1]=4 1003 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210319 [1,0,0,0,0,0|0,0,2]=3 1004 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210375_100000210211 [1,0,0,0,0,0|0,0,2]=3 1005 B15R0.2002 CCCCCCCCCCC(=O)CCCF 1458a_100000210375_100011934791 [1,0,0,0,0,0|1,0,2]=4 1006 B15R0.2002 CCCCCCCCCCC(=O)CCCO 1458a_100000210375_100011215043 [1,0,0,0,0,0|1,0,2]=4 1007 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000210375_100000233755 [1,0,0,0,0,0|1,0,2]=4 1008 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210319 [1,0,0,0,0,0|1,0,2]=4 1009 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210319 [1,0,0,0,0,0|1,0,2]=4 1010 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000210375_100000751147 [1,0,0,0,0,0|1,0,2]=4 1011 B15R0.2002 CCCCCCCCCCC(=O)COCC 1458a_100000211967_100000210319 [1,0,0,0,0,0|1,0,2]=4 1012 B15R0.2002 CCCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210319 [1,0,0,0,0,0|1,0,2]=4 1013 B15R0.2002 CCCCCCCCCCC(=O)NCCC 11a_100020643023_100000210375 [1,0,0,0,0,0|1,0,2]=4 1014 B15R0.2002 CCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210375 [1,0,0,0,0,0|1,0,2]=4 1015 B15R0.2002 CCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210375 [1,0,0,0,0,0|1,0,2]=4 1016 B15R0.2002 CCCCCCCCCNC(=O)CCCC 11a_100000212291_100000210183 [1,0,0,0,0,0|1,0,2]=4 1017 B15R0.2002 CCCCCCCCCNC(=O)CCCC 1626a_100000212291_100000210183 [1,0,0,0,0,0|1,0,2]=4 1018 B15R0.2002 CCCCCCCCCNC(=O)CCCC 240690a_100000212291_100000210183 [1,0,0,0,0,0|1,0,2]=4 1019 B15R0.2002 CCCCCCCCCNC(=O)CCCC 527a_100000212291_100000210183 [1,0,0,0,0,0|1,0,2]=4 1020 B15R0.2002 CCCCCCCCNCC(=O)OCCC 2230a_100000229939_200011215008 [1,0,0,0,0,0|1,0,2]=4 1021 B15R0.2002 CCCCCCCCNCC(=O)OCCC 34a_100000229939_200011215008 [1,0,0,0,0,0|1,0,2]=4 1022 B15R0.2002 CCCCCCCCOCC(=O)CCCC 1458a_100000759886_100000210211 [1,0,0,0,0,0|1,0,2]=4 1023 B15R0.2002 CCCCCCCCOCC(=O)OCCC 34a_100000210232_200011215008 [1,0,0,0,0,0|1,0,2]=4 1024 B15R0.2002 CCCCCCCCOCC(=O)OCCC 7a_100000210232_200011215008 [1,0,0,0,0,0|1,0,2]=4 1025 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_100000210759_200011215008 [1,0,0,0,0,0|1,0,2]=4 1026 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210317 [1,0,0,0,0,0|1,0,2]=4 1027 B15R0.2002 CCCNC(=O)CCCCCCCCCF 11a_100020643023_200009909015 [1,0,0,0,0,0|2,0,1]=4 1028 B15R0.2002 CCCNC(=O)CCCCCCCCCF 240690a_100020643023_200009909015 [1,0,0,0,0,0|2,0,1]=4 1029 B15R0.2002 CCCNC(=O)CCCCCCCCCF 527a_100020643023_200009909015 [1,0,0,0,0,0|2,0,1]=4 1030 B15R0.2002 CCCNC(=O)CCCCCCCCCO 240690a_100020643023_100000032657 [1,0,0,0,0,0|2,0,1]=4 1031 B15R0.2002 CCCNC(=O)CCCSCCCCC=O 62a_100000139335_100011194427 [1,0,0,0,0,0|3,0,0]=4 1032 B15R0.2002 CCCNC(=O)CCCSCCCCC=O 62a_100011194427_100000139335 [1,0,0,0,0,0|3,0,0]=4 1033 B15R0.2002 CCCOC(=O)CNCCCCCCCO 2230a_100011996573_200011215008 [1,0,0,0,0,0|2,0,1]=4 1034 B15R0.2002 CCCOC(=O)CNCCCCCCCO 34a_100011996573_200011215008 [1,0,0,0,0,0|2,0,1]=4 1035 B15R0.2002 CCCOC(=O)COCCCCCCCBr 34a_100000760002_200011215008 [1,0,0,0,0,0|2,0,1]=4 1036 B15R0.2002 CCCOC(=O)COCCCCCCCBr 7a_100000760002_200011215008 [1,0,0,0,0,0|2,0,1]=4 1037 B15R0.2002 CCCOC(=O)COCCCCCCCN 34a_100011996573_200011215008 [1,0,0,0,0,0|2,0,1]=4 1038 B15R0.2002 CCCOC(=O)COCCCCCCOC 34a_200012092642_200011215008 [1,0,0,0,0,0|2,0,1]=4 1039 B15R0.2002 CCCOC(=O)COCCCCCCOC 7a_200012092642_200011215008 [1,0,0,0,0,0|2,0,1]=4 1040 B15R0.2002 CCCOC(=O)CSCCCCCCC#N 62a_100009813337_200011215008 [1,0,0,0,0,0|2,0,1]=4 1041 B15R0.2002 CCCOC(=O)CSCCCCCCC#N 62a_200011215008_100009813337 [1,0,0,0,0,0|2,0,1]=4 1042 B15R0.2002 CCCOC(=O)CSCCCCCCCO 62a_100000760002_200011215008 [1,0,0,0,0,0|2,0,1]=4 1043 B15R0.2002 CCCOC(=O)CSCCCCCCCO 62a_200011215008_100000760002 [1,0,0,0,0,0|2,0,1]=4 1044 B15R0.2002 CCCOC(=O)CSCCCCCCOC 62a_100011998445_200011215008 [1,0,0,0,0,0|2,0,1]=4 1045 B15R0.2002 CCCOC(=O)CSCCCCCCOC 62a_200011215008_100011998445 [1,0,0,0,0,0|2,0,1]=4 1046 B15R0.2002 CCCOC(=O)OCSCCCCCC=O 62a_100000139337_200000139673 [1,0,0,0,0,0|3,0,0]=4 1047 B15R0.2002 CCOCC(=O)CCCCCCCCCO 1458a_100000211967_100009813782 [1,0,0,0,0,0|2,0,1]=4 1048 B15R0.2002 CCSCC(=O)CCCCCCCCCO 1458a_100000230394_100009813782 [1,0,0,0,0,0|2,0,1]=4 1049 B15R0.2002 COCCC(=O)CCCCCCCCCF 1458a_200009909015_100000233755 [1,0,0,0,0,0|2,0,1]=4 1050 B15R0.2002 COCCC(=O)CCCCCCCCCO 1458a_100000749529_100009813782 [1,0,0,0,0,0|2,0,1]=4 1051 B15R0.2002 CSCCC(=O)CCCCCCCCCF 1458a_200009909015_100000751147 [1,0,0,0,0,0|2,0,1]=4 1052 B15R0.2002 CSCCC(=O)CCCCCCCCCO 1458a_100000174002_100009813782 [1,0,0,0,0,0|2,0,1]=4 1053 B15R0.2002 O=C(CCCF)CCCCCCCCCF 1458a_200009909015_100011934791 [1,0,0,0,0,0|2,0,1]=4 1054 B15R0.2002 O=C(CCCO)CCCCCCCCCF 1458a_200009909015_100011215043 [1,0,0,0,0,0|2,0,1]=4 1055 B17R0.38 C#CCCCCCCCCC(=O)CCCC(C)C 1458a_100000029693_100011214892 [0,1,0,0,0,0|1,0,2]=4 1056 B17R0.38 C#CCCCCCCCCC(=O)CCCC(C)O 1458a_100000029693_200000718107 [0,1,0,0,0,0|1,0,2]=4 1057 B17R0.38 C#CCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000029693 [0,1,0,0,0,0|1,0,2]=4 1058 B17R0.38 C#CCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000029693 [0,1,0,0,0,0|1,0,2]=4 1059 B17R0.38 C#CCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000029693 [0,1,0,0,0,0|1,0,2]=4 1060 B17R0.38 C#CCCCCCCCCC(=O)NCCC(C)C 527a_100000210545_100000029693 [0,1,0,0,0,0|1,0,2]=4 1061 B17R0.38 C#CCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000029693 [0,1,0,0,0,0|1,0,2]=4 1062 B17R0.38 C#CCCCCCCCCC(=O)NCCC(C)O 527a_200000755665_100000029693 [0,1,0,0,0,0|1,0,2]=4 1063 B17R0.38 C=CCCCCCCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100011933949 [0,1,0,0,0,0|1,0,2]=4 1064 B17R0.38 C=CCCCCCCCCC(=O)C=CCN(C)C 1458a_100000754359_100011933949 [0,1,0,0,0,0|2,0,1]=4 1065 B17R0.38 C=CCCCCCCCCC(=O)CCC=C(C)C 1458a_100000211349_100011217483 [0,1,0,0,0,0|1,0,2]=4 1066 B17R0.38 C=CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000211349_100011215641 [0,1,0,0,0,0|1,0,1]=3 1067 B17R0.38 C=CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000211349_100102525003 [0,1,0,0,0,0|2,0,1]=4 1068 B17R0.38 C=CCCCCCCCCC(=O)CCCC(C)C 1458a_100000211349_100011214892 [0,1,0,0,0,0|1,0,0]=2 1069 B17R0.38 C=CCCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100011933949 [0,1,0,0,0,0|1,0,0]=2 1070 B17R0.38 C=CCCCCCCCCC(=O)CCCC(C)O 1458a_100000211349_200000718107 [0,1,0,0,0,0|1,0,0]=2 1071 B17R0.38 C=CCCCCCCCCC(=O)CCCN(C)C 1458a_100000211349_100000695564 [0,1,0,0,0,0|2,0,0]=3 1072 B17R0.38 C=CCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011933949 [0,1,0,0,0,0|3,0,0]=4 1073 B17R0.38 C=CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011933949 [0,1,0,0,0,0|2,0,1]=4 1074 B17R0.38 C=CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000211349_100000189650 [0,1,0,0,0,0|2,0,1]=4 1075 B17R0.38 C=CCCCCCCCCC(=O)CCOC(=O)C 1458a_100000211349_100009814007 [0,1,0,0,0,0|2,0,1]=4 1076 B17R0.38 C=CCCCCCCCCC(=O)CCOC(C)C 1458a_100000211349_100000211751 [0,1,0,0,0,0|2,0,0]=3 1077 B17R0.38 C=CCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011933949 [0,1,0,0,0,0|2,0,1]=4 1078 B17R0.38 C=CCCCCCCCCC(=O)CCSC(C)C 1458a_100000211349_100000730970 [0,1,0,0,0,0|2,0,0]=3 1079 B17R0.38 C=CCCCCCCCCC(=O)COCC(C)C 1458a_100011223364_100011933949 [0,1,0,0,0,0|2,0,0]=3 1080 B17R0.38 C=CCCCCCCCCC(=O)NCC=C(C)C 11a_100000718196_100000211349 [0,1,0,0,0,0|1,0,2]=4 1081 B17R0.38 C=CCCCCCCCCC(=O)NCC=C(C)C 1626a_100000718196_100000211349 [0,1,0,0,0,0|1,0,2]=4 1082 B17R0.38 C=CCCCCCCCCC(=O)NCC=C(C)C 527a_100000718196_100000211349 [0,1,0,0,0,0|1,0,2]=4 1083 B17R0.38 C=CCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000211349 [0,1,0,0,0,0|2,0,1]=4 1084 B17R0.38 C=CCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000211349 [0,1,0,0,0,0|2,0,1]=4 1085 B17R0.38 C=CCCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000211349 [0,1,0,0,0,0|2,0,1]=4 1086 B17R0.38 C=CCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000211349 [0,1,0,0,0,0|1,0,0]=2 1087 B17R0.38 C=CCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000211349 [0,1,0,0,0,0|1,0,0]=2 1088 B17R0.38 C=CCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000211349 [0,1,0,0,0,0|1,0,0]=2 1089 B17R0.38 C=CCCCCCCCCC(=O)NCCC(C)C 527a_100000210545_100000211349 [0,1,0,0,0,0|1,0,0]=2 1090 B17R0.38 C=CCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000211349 [0,1,0,0,0,0|1,0,0]=2 1091 B17R0.38 C=CCCCCCCCCC(=O)NCCC(C)O 527a_200000755665_100000211349 [0,1,0,0,0,0|1,0,0]=2 1092 B17R0.38 C=CCCCCCCCCC(=O)NCCN(C)C 240690a_100000210585_100000211349 [0,1,0,0,0,0|2,0,0]=3 1093 B17R0.38 C=CCCCCCCCCC(=O)NCCN(C)C 527a_100000210585_100000211349 [0,1,0,0,0,0|2,0,0]=3 1094 B17R0.38 C=CCCCCCCCCC(=O)NN=CC(C)C 4a_200000015944_100000210432 [0,1,0,0,0,0|2,0,1]=4 1095 B17R0.38 C=CCCCCCCCCC(=O)NNCC(=C)C 22a_100000729518_100000211349 [0,1,0,0,0,0|2,0,1]=4 1096 B17R0.38 C=CCCCCCCCCC(=O)NNCC(C)C 22a_100000696102_100000211349 [0,1,0,0,0,0|2,0,0]=3 1097 B17R0.38 C=CCCCCCCCCC(=O)NNCC(C)O 22a_200000730056_100000211349 [0,1,0,0,0,0|2,0,0]=3 1098 B17R0.38 CC(C)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011214892 [0,1,0,0,0,0|2,0,1]=4 1099 B17R0.38 CC(C)CCCC(=O)CCCCCCCCCO 1458a_100011216857_100009813782 [0,1,0,0,0,0|2,0,1]=4 1100 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCF 11a_100000210545_200009909015 [0,1,0,0,0,0|2,0,1]=4 1101 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCF 240690a_100000210545_200009909015 [0,1,0,0,0,0|2,0,1]=4 1102 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCF 527a_100000210545_200009909015 [0,1,0,0,0,0|2,0,1]=4 1103 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCO 240690a_100000210545_100000032657 [0,1,0,0,0,0|2,0,1]=4 1104 B17R0.38 CC(O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_200000718107 [0,1,0,0,0,0|2,0,1]=4 1105 B17R0.38 CC(O)CCNC(=O)CCCCCCCCCF 240690a_200000755665_200009909015 [0,1,0,0,0,0|2,0,1]=4 1106 B17R0.38 CC(O)CCNC(=O)CCCCCCCCCF 527a_200000755665_200009909015 [0,1,0,0,0,0|2,0,1]=4 1107 B17R0.38 CC(O)CCNC(=O)CCCCCCCCCO 240690a_200000755665_100000032657 [0,1,0,0,0,0|2,0,1]=4 1108 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)C 1458a_100000210375_100011214892 [0,1,0,0,0,0|1,0,2]=4 1109 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210319 [0,1,0,0,0,0|1,0,2]=4 1110 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210375_200000718107 [0,1,0,0,0,0|1,0,2]=4 1111 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000210375 [0,1,0,0,0,0|1,0,2]=4 1112 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000210375 [0,1,0,0,0,0|1,0,2]=4 1113 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000210375 [0,1,0,0,0,0|1,0,2]=4 1114 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000210375 [0,1,0,0,0,0|1,0,2]=4 1115 B17R0.179 CCCCOC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000211628 [0,1,0,0,0,0|1,0,2]=4 1116 B17R0.179 CCCCOC(=O)CNCCCCCCC(C)C 34a_100000211014_100000211628 [0,1,0,0,0,0|1,0,2]=4 1117 B17R0.179 CCCCOC(=O)CNCCCCCNC(=O)C 2230a_200012022750_100000211628 [0,1,0,0,0,0|2,0,1]=4 1118 B17R0.179 CCCCOC(=O)CNCCCCCNC(=O)C 34a_200012022750_100000211628 [0,1,0,0,0,0|2,0,1]=4 1119 B17R0.179 CCCCOC(=O)CSCCCCCCB(O)O 62a_100000211628_100009817187 [0,1,0,0,0,0|3,0,0]=4 1120 B17R0.179 CCCCOC(=O)CSCCCCCCB(O)O 62a_100009817187_100000211628 [0,1,0,0,0,0|3,0,0]=4 1121 B17R0.179 CCCCOC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000211628 [0,1,0,0,0,0|2,0,1]=4 1122 B17R0.179 CCCCOC(=O)CSCCCCCOC(=O)C 62a_100000211628_100000033007 [0,1,0,0,0,0|2,0,1]=4 1123 B17R0.231 C#CCCCCCCCCC(=O)CC(C)CCC 1458a_100000029693_100011216630 [0,1,0,0,0,0|1,0,2]=4 1124 B17R0.231 C#CCCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100000029693 [0,1,0,0,0,0|1,0,2]=4 1125 B17R0.231 C#CCCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100000029693 [0,1,0,0,0,0|1,0,2]=4 1126 B17R0.231 C#CCCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100000029693 [0,1,0,0,0,0|1,0,2]=4 1127 B17R0.231 C#CCCCCCCCCC(=O)NC(C)CCC 527a_100000741246_100000029693 [0,1,0,0,0,0|1,0,2]=4 1128 B17R0.231 C=CCCCCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100011933949 [0,1,0,0,0,0|1,0,1]=3 1129 B17R0.231 C=CCCCCCCCCC(=O)CC(=C)CCC 1458a_100000138376_100011933949 [0,1,0,0,0,0|1,0,1]=3 1130 B17R0.231 C=CCCCCCCCCC(=O)CC(=O)CCC 1458a_100000211349_100000747444 [0,1,0,0,0,0|1,0,1]=3 1131 B17R0.231 C=CCCCCCCCCC(=O)CC(=O)NCC 1458a_100000211349_100000183381 [0,1,0,0,0,0|2,0,1]=4 1132 B17R0.231 C=CCCCCCCCCC(=O)CC(=O)OCC 1458a_100000211349_100000188475 [0,1,0,0,0,0|2,0,1]=4 1133 B17R0.231 C=CCCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100011933949 [0,1,0,0,0,0|2,0,1]=4 1134 B17R0.231 C=CCCCCCCCCC(=O)CC(C)CCC 1458a_100000211349_100011216630 [0,1,0,0,0,0|1,0,0]=2 1135 B17R0.231 C=CCCCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100011933949 [0,1,0,0,0,0|1,0,0]=2 1136 B17R0.231 C=CCCCCCCCCC(=O)CC(C)SCC 1458a_200011311441_100011933949 [0,1,0,0,0,0|2,0,0]=3 1137 B17R0.231 C=CCCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100011933949 [0,1,0,0,0,0|2,0,0]=3 1138 B17R0.231 C=CCCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100000211349 [0,1,0,0,0,0|1,0,0]=2 1139 B17R0.231 C=CCCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100000211349 [0,1,0,0,0,0|1,0,0]=2 1140 B17R0.231 C=CCCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100000211349 [0,1,0,0,0,0|1,0,0]=2 1141 B17R0.231 C=CCCCCCCCCC(=O)NC(C)CCC 527a_100000741246_100000211349 [0,1,0,0,0,0|1,0,0]=2 1142 B17R0.231 C=CCCCCCCCCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000211349 [0,1,0,0,0,0|2,0,1]=4 1143 B17R0.231 C=CCCCCCCCCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000211349 [0,1,0,0,0,0|2,0,1]=4 1144 B17R0.231 C=CCCCCCCCCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000211349 [0,1,0,0,0,0|2,0,1]=4 1145 B17R0.231 C=CCCCCCCCCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000211349 [0,1,0,0,0,0|2,0,1]=4 1146 B17R0.231 C=CCCCCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211349 [0,1,0,0,0,0|2,0,0]=3 1147 B17R0.231 C=CCCCCCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211349 [0,1,0,0,0,0|2,0,0]=3 1148 B17R0.231 C=CCCCCCCCCC(=O)N[C@H](C)COC 11a_100000764878_100000211349 [0,1,0,0,0,0|2,0,0]=3 1149 B17R0.231 C=CCCCCCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211349 [0,1,0,0,0,0|2,0,0]=3 1150 B17R0.231 C=CCCCCCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211349 [0,1,0,0,0,0|2,0,0]=3 1151 B17R0.231 C=CCCCCCCCCC(=O)N[C@H](C)COC 527a_100000764878_100000211349 [0,1,0,0,0,0|2,0,0]=3 1152 B17R0.231 CCCC(C)CC(=O)CCCCCCCCCF 1458a_200009909015_100011216630 [0,1,0,0,0,0|2,0,1]=4 1153 B17R0.231 CCCC(C)CC(=O)CCCCCCCCCO 1458a_100000748435_100009813782 [0,1,0,0,0,0|2,0,1]=4 1154 B17R0.231 CCCC(C)NC(=O)CCCCCCCCCF 11a_100000741246_200009909015 [0,1,0,0,0,0|2,0,1]=4 1155 B17R0.231 CCCC(C)NC(=O)CCCCCCCCCF 240690a_100000741246_200009909015 [0,1,0,0,0,0|2,0,1]=4 1156 B17R0.231 CCCC(C)NC(=O)CCCCCCCCCF 527a_100000741246_200009909015 [0,1,0,0,0,0|2,0,1]=4 1157 B17R0.231 CCCC(C)NC(=O)CCCCCCCCCO 240690a_100000741246_100000032657 [0,1,0,0,0,0|2,0,1]=4 1158 B17R0.231 CCCCCCCCCCC(=O)CC(C)CCC 1458a_100000210375_100011216630 [0,1,0,0,0,0|1,0,2]=4 1159 B17R0.231 CCCCCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210319 [0,1,0,0,0,0|1,0,2]=4 1160 B17R0.231 CCCCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100000210375 [0,1,0,0,0,0|1,0,2]=4 1161 B17R0.231 CCCCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100000210375 [0,1,0,0,0,0|1,0,2]=4 1162 B17R0.231 CCCCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100000210375 [0,1,0,0,0,0|1,0,2]=4 1163 B17R0.454 C#CCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100012276617 [0,1,0,0,0,0|1,0,2]=4 1164 B17R0.454 C#CCCCCCCOC(C)C(=O)OCCCC 34a_100011217361_100000759602 [0,1,0,0,0,0|1,0,2]=4 1165 B17R0.454 C#CCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100012276617 [0,1,0,0,0,0|1,0,2]=4 1166 B17R0.454 C#CCCCCCCOC(C)C(=O)OCCCC 7a_100011217361_100000759602 [0,1,0,0,0,0|1,0,2]=4 1167 B17R0.454 C#CCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100012276617 [0,1,0,0,0,0|1,0,2]=4 1168 B17R0.454 C#CCCCCCCSC(C)C(=O)OCCCC 62a_100012276617_100000759602 [0,1,0,0,0,0|1,0,2]=4 1169 B17R0.454 C=CCCC/C=C/COC(C)C(=O)OCCCC 34a_200016268473_100000759602 [0,1,0,0,0,0|1,0,2]=4 1170 B17R0.454 C=CCCC/C=C/COC(C)C(=O)OCCCC 7a_200016268473_100000759602 [0,1,0,0,0,0|1,0,2]=4 1171 B17R0.454 C=CCCCCCCOC(C)C(=O)NCCCC 34a_200011216477_100000735917 [0,1,0,0,0,0|2,0,0]=3 1172 B17R0.454 C=CCCCCCCOC(C)C(=O)NCCCC 7a_200011216477_100000735917 [0,1,0,0,0,0|2,0,0]=3 1173 B17R0.454 C=CCCCCCCOC(C)C(=O)NCCOC 7a_200011216477_100000230274 [0,1,0,0,0,0|3,0,0]=4 1174 B17R0.454 C=CCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100011215473 [0,1,0,0,0,0|1,0,0]=2 1175 B17R0.454 C=CCCCCCCOC(C)C(=O)OCCCC 34a_200011216477_100000759602 [0,1,0,0,0,0|1,0,0]=2 1176 B17R0.454 C=CCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100011215473 [0,1,0,0,0,0|1,0,0]=2 1177 B17R0.454 C=CCCCCCCOC(C)C(=O)OCCCC 7a_200011216477_100000759602 [0,1,0,0,0,0|1,0,0]=2 1178 B17R0.454 C=CCCCCCCSC(C)C(=O)NCCCC 62a_100000735917_100011215473 [0,1,0,0,0,0|2,0,0]=3 1179 B17R0.454 C=CCCCCCCSC(C)C(=O)NCCCC 62a_100011215473_100000735917 [0,1,0,0,0,0|2,0,0]=3 1180 B17R0.454 C=CCCCCCCSC(C)C(=O)NCCOC 62a_100000230274_100011215473 [0,1,0,0,0,0|3,0,0]=4 1181 B17R0.454 C=CCCCCCCSC(C)C(=O)NCCOC 62a_100011215473_100000230274 [0,1,0,0,0,0|3,0,0]=4 1182 B17R0.454 C=CCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100011215473 [0,1,0,0,0,0|1,0,0]=2 1183 B17R0.454 C=CCCCCCCSC(C)C(=O)OCCCC 62a_100011215473_100000759602 [0,1,0,0,0,0|1,0,0]=2 1184 B17R0.454 C=COCCOCCOC(C)C(=O)OCCCC 34a_100000039918_100000759602 [0,1,0,0,0,0|3,0,0]=4 1185 B17R0.454 C=COCCOCCOC(C)C(=O)OCCCC 7a_100000039918_100000759602 [0,1,0,0,0,0|3,0,0]=4 1186 B17R0.454 CCCCCCCCNC(C)C(=O)OCCCC 2230a_100000229939_100000759602 [0,1,0,0,0,0|1,0,2]=4 1187 B17R0.454 CCCCCCCCNC(C)C(=O)OCCCC 34a_100000229939_100000759602 [0,1,0,0,0,0|1,0,2]=4 1188 B17R0.454 CCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100000210759 [0,1,0,0,0,0|1,0,2]=4 1189 B17R0.454 CCCCCCCCOC(C)C(=O)OCCCC 34a_100000210232_100000759602 [0,1,0,0,0,0|1,0,2]=4 1190 B17R0.454 CCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210759 [0,1,0,0,0,0|1,0,2]=4 1191 B17R0.454 CCCCCCCCOC(C)C(=O)OCCCC 7a_100000210232_100000759602 [0,1,0,0,0,0|1,0,2]=4 1192 B17R0.454 CCCCCCCCSC(C)C(=O)OCCCC 62a_100000210759_100000759602 [0,1,0,0,0,0|1,0,2]=4 1193 B17R0.454 CCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100000210317 [0,1,0,0,0,0|1,0,2]=4 1194 B17R0.454 CCCCOC(=O)C(C)NCCCCCCCO 2230a_100011996573_100000759602 [0,1,0,0,0,0|2,0,1]=4 1195 B17R0.454 CCCCOC(=O)C(C)NCCCCCCCO 34a_100011996573_100000759602 [0,1,0,0,0,0|2,0,1]=4 1196 B17R0.454 CCCCOC(=O)C(C)OCCCCCCC#N 7a_100000038973_100009813337 [0,1,0,0,0,0|2,0,1]=4 1197 B17R0.454 CCCCOC(=O)C(C)OCCCCCCCBr 34a_100000760002_100000759602 [0,1,0,0,0,0|2,0,1]=4 1198 B17R0.454 CCCCOC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000759602 [0,1,0,0,0,0|2,0,1]=4 1199 B17R0.454 CCCCOC(=O)C(C)OCCCCCCCN 34a_100011996573_100000759602 [0,1,0,0,0,0|2,0,1]=4 1200 B17R0.454 CCCCOC(=O)C(C)OCCCCCCCO 34a_100000038973_100000760002 [0,1,0,0,0,0|2,0,1]=4 1201 B17R0.454 CCCCOC(=O)C(C)OCCCCCCCO 7a_100000038973_100000760002 [0,1,0,0,0,0|2,0,1]=4 1202 B17R0.454 CCCCOC(=O)C(C)OCCCCCCOC 34a_100000038973_100011998445 [0,1,0,0,0,0|2,0,1]=4 1203 B17R0.454 CCCCOC(=O)C(C)OCCCCCCOC 34a_200012092642_100000759602 [0,1,0,0,0,0|2,0,1]=4 1204 B17R0.454 CCCCOC(=O)C(C)OCCCCCCOC 7a_100000038973_100011998445 [0,1,0,0,0,0|2,0,1]=4 1205 B17R0.454 CCCCOC(=O)C(C)OCCCCCCOC 7a_200012092642_100000759602 [0,1,0,0,0,0|2,0,1]=4 1206 B17R0.454 CCCCOC(=O)C(C)SCCCCCCC#N 62a_100000759602_100009813337 [0,1,0,0,0,0|2,0,1]=4 1207 B17R0.454 CCCCOC(=O)C(C)SCCCCCCC#N 62a_100009813337_100000759602 [0,1,0,0,0,0|2,0,1]=4 1208 B17R0.454 CCCCOC(=O)C(C)SCCCCCCCO 62a_100000759602_100000760002 [0,1,0,0,0,0|2,0,1]=4 1209 B17R0.454 CCCCOC(=O)C(C)SCCCCCCCO 62a_100000760002_100000759602 [0,1,0,0,0,0|2,0,1]=4 1210 B17R0.454 CCCCOC(=O)C(C)SCCCCCCOC 62a_100000759602_100011998445 [0,1,0,0,0,0|2,0,1]=4 1211 B17R0.454 CCCCOC(=O)C(C)SCCCCCCOC 62a_100011998445_100000759602 [0,1,0,0,0,0|2,0,1]=4 1212 B17R0.3062 C#CC(O)CCCCCSCC(=O)OCCCC 62a_100000211628_200010408556 [0,1,0,0,0,0|1,0,2]=4 1213 B17R0.3062 C#CC(O)CCCCCSCC(=O)OCCCC 62a_200010408556_100000211628 [0,1,0,0,0,0|1,0,2]=4 1214 B17R0.3062 C=CC(=O)NCCCCOCC(=O)OCCCC 34a_100014118770_100000211628 [0,1,0,0,0,0|2,0,1]=4 1215 B17R0.3062 C=CC(=O)OCCCCCCC(=O)CCCCC 1458a_100000212188_100009894100 [0,1,0,0,0,0|2,0,1]=4 1216 B17R0.3062 CCCCOC(=O)COCCCCCC(C)CC 7a_200000035636_100000211628 [0,1,0,0,0,0|1,0,2]=4 1217 B17R0.3110 C#CCCCC(=O)CCCCCCCCCC=C 1458a_100000690238_100009814027 [0,1,0,0,0,0|1,0,2]=4 1218 B17R0.3110 C#CCCCCCCCOCC(=O)CCCCC 34a_100000054614_200012276598 [0,1,0,0,0,0|1,0,2]=4 1219 B17R0.3110 C#CCCCCCCCOCC(=O)CCCCC 7a_100000054614_200012276598 [0,1,0,0,0,0|1,0,2]=4 1220 B17R0.3110 C#CCCCCCCCOCC(=O)NCCCC 34a_100000054614_100000182744 [0,1,0,0,0,0|1,0,2]=4 1221 B17R0.3110 C#CCCCCCCCOCC(=O)NCCCC 7a_100000054614_100000182744 [0,1,0,0,0,0|1,0,2]=4 1222 B17R0.3110 C#CCCCCCCCOCC(=O)OCCCC 34a_100000054614_100000211628 [0,1,0,0,0,0|0,0,2]=3 1223 B17R0.3110 C#CCCCCCCCOCC(=O)OCCCC 7a_100000054614_100000211628 [0,1,0,0,0,0|0,0,2]=3 1224 B17R0.3110 C#CCCCCCCCOCC(=O)OCCOC 34a_100000054614_200000040189 [0,1,0,0,0,0|1,0,2]=4 1225 B17R0.3110 C#CCCCCCCCOCC(=O)OCCOC 7a_100000054614_200000040189 [0,1,0,0,0,0|1,0,2]=4 1226 B17R0.3110 C#CCCCCCCCSCC(=O)CCCCC 62a_100153394163_200012276598 [0,1,0,0,0,0|1,0,2]=4 1227 B17R0.3110 C#CCCCCCCCSCC(=O)CCCCC 62a_200012276598_100153394163 [0,1,0,0,0,0|1,0,2]=4 1228 B17R0.3110 C#CCCCCCCCSCC(=O)NCCCC 62a_100000182744_100153394163 [0,1,0,0,0,0|1,0,2]=4 1229 B17R0.3110 C#CCCCCCCCSCC(=O)NCCCC 62a_100153394163_100000182744 [0,1,0,0,0,0|1,0,2]=4 1230 B17R0.3110 C#CCCCCCCCSCC(=O)OCCCC 62a_100000211628_100153394163 [0,1,0,0,0,0|0,0,2]=3 1231 B17R0.3110 C#CCCCCCCCSCC(=O)OCCCC 62a_100153394163_100000211628 [0,1,0,0,0,0|0,0,2]=3 1232 B17R0.3110 C#CCCCCCCCSCC(=O)OCCOC 62a_100153394163_200000040189 [0,1,0,0,0,0|1,0,2]=4 1233 B17R0.3110 C#CCCCCCCCSCC(=O)OCCOC 62a_200000040189_100153394163 [0,1,0,0,0,0|1,0,2]=4 1234 B17R0.3110 C=CCCCCCCCCCC(=O)C#CCCC 1458a_200011218047_100009814027 [0,1,0,0,0,0|1,0,1]=3 1235 B17R0.3110 C=CCCCCCCCCCC(=O)C/C=C/CC 1458a_100016274230_100009814027 [0,1,0,0,0,0|1,0,2]=4 1236 B17R0.3110 C=CCCCCCCCCCC(=O)C=CCCC 1458a_100000212230_100009814027 [0,1,0,0,0,0|1,0,1]=3 1237 B17R0.3110 C=CCCCCCCCCCC(=O)C=CCOC 1458a_100016285016_100009814027 [0,1,0,0,0,0|2,0,1]=4 1238 B17R0.3110 C=CCCCCCCCCCC(=O)C=COCC 1458a_100016266692_100009814027 [0,1,0,0,0,0|2,0,1]=4 1239 B17R0.3110 C=CCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100009814027 [0,1,0,0,0,0|2,0,1]=4 1240 B17R0.3110 C=CCCCCCCCCCC(=O)CCCC=C 1458a_100000766728_100009814027 [0,1,0,0,0,0|1,0,2]=4 1241 B17R0.3110 C=CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100009814027 [0,1,0,0,0,0|1,0,0]=2 1242 B17R0.3110 C=CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100009814027 [0,1,0,0,0,0|2,0,0]=3 1243 B17R0.3110 C=CCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100009814027 [0,1,0,0,0,0|2,0,0]=3 1244 B17R0.3110 C=CCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100009814027 [0,1,0,0,0,0|2,0,0]=3 1245 B17R0.3110 C=CCCCCCCCCCC(=O)CCOCC 1458a_100000749530_100009814027 [0,1,0,0,0,0|2,0,0]=3 1246 B17R0.3110 C=CCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100009814027 [0,1,0,0,0,0|2,0,0]=3 1247 B17R0.3110 C=CCCCCCCCCCC(=O)COCCC 1458a_100000745993_100009814027 [0,1,0,0,0,0|2,0,0]=3 1248 B17R0.3110 C=CCCCCCCCCCC(=O)COCCO 1458a_100000708028_100009814027 [0,1,0,0,0,0|3,0,0]=4 1249 B17R0.3110 C=CCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100009814027 [0,1,0,0,0,0|2,0,0]=3 1250 B17R0.3110 C=CCCCCCCCCCN(C)CCCCC 2230a_100000223495_100009814027 [0,1,0,0,0,0|3,0,0]=4 1251 B17R0.3110 C=CCCCCCCCCCN(C)CCCCC 269982a_100000223495_100009814027 [0,1,0,0,0,0|3,0,0]=4 1252 B17R0.3110 C=CCCCCCCCCNC(C)CCCCC 2230a_100000211957_100011933949 [0,1,0,0,0,0|2,0,1]=4 1253 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 34a_100011215194_200011218191 [0,1,0,0,0,0|2,0,1]=4 1254 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 34a_100011215632_100011933949 [0,1,0,0,0,0|2,0,1]=4 1255 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 7a_100011215194_200011218191 [0,1,0,0,0,0|2,0,1]=4 1256 B17R0.3110 C=CCCCCCCCCOC(C)CCCCC 7a_100011215632_100011933949 [0,1,0,0,0,0|2,0,1]=4 1257 B17R0.3110 C=CCCCCCCCNCC(=O)NCCOC 2230a_100000754632_100012355270 [0,1,0,0,0,0|2,0,0]=3 1258 B17R0.3110 C=CCCCCCCCOCC(=O)CCCCC 34a_100000730831_200012276598 [0,1,0,0,0,0|1,0,0]=2 1259 B17R0.3110 C=CCCCCCCCOCC(=O)CCCCC 7a_100000730831_200012276598 [0,1,0,0,0,0|1,0,0]=2 1260 B17R0.3110 C=CCCCCCCCOCC(=O)NCCCC 34a_100000730831_100000182744 [0,1,0,0,0,0|1,0,0]=2 1261 B17R0.3110 C=CCCCCCCCOCC(=O)NCCCC 7a_100000730831_100000182744 [0,1,0,0,0,0|1,0,0]=2 1262 B17R0.3110 C=CCCCCCCCOCC(=O)NCCOC 34a_100000730831_100000183275 [0,1,0,0,0,0|2,0,0]=3 1263 B17R0.3110 C=CCCCCCCCOCC(=O)NCCOC 7a_100000730831_100000183275 [0,1,0,0,0,0|2,0,0]=3 1264 B17R0.3110 C=CCCCCCCCOCC(=O)OCCCC 34a_100000730831_100000211628 [0,1,0,0,0,0|0,0,0]=1 1265 B17R0.3110 C=CCCCCCCCOCC(=O)OCCCC 7a_100000730831_100000211628 [0,1,0,0,0,0|0,0,0]=1 1266 B17R0.3110 C=CCCCCCCCOCC(=O)OCCOC 34a_100000730831_200000040189 [0,1,0,0,0,0|1,0,0]=2 1267 B17R0.3110 C=CCCCCCCCOCC(=O)OCCOC 7a_100000730831_200000040189 [0,1,0,0,0,0|1,0,0]=2 1268 B17R0.3110 C=CCCCCCCCSCC(=O)CCCCC 62a_100012355270_200012276598 [0,1,0,0,0,0|1,0,0]=2 1269 B17R0.3110 C=CCCCCCCCSCC(=O)CCCCC 62a_200012276598_100012355270 [0,1,0,0,0,0|1,0,0]=2 1270 B17R0.3110 C=CCCCCCCCSCC(=O)NCCCC 62a_100000182744_100012355270 [0,1,0,0,0,0|1,0,0]=2 1271 B17R0.3110 C=CCCCCCCCSCC(=O)NCCCC 62a_100012355270_100000182744 [0,1,0,0,0,0|1,0,0]=2 1272 B17R0.3110 C=CCCCCCCCSCC(=O)NCCOC 62a_100000183275_100012355270 [0,1,0,0,0,0|2,0,0]=3 1273 B17R0.3110 C=CCCCCCCCSCC(=O)NCCOC 62a_100012355270_100000183275 [0,1,0,0,0,0|2,0,0]=3 1274 B17R0.3110 C=CCCCCCCCSCC(=O)OCCCC 62a_100000211628_100012355270 [0,1,0,0,0,0|0,0,0]=1 1275 B17R0.3110 C=CCCCCCCCSCC(=O)OCCCC 62a_100012355270_100000211628 [0,1,0,0,0,0|0,0,0]=1 1276 B17R0.3110 C=CCCCCCCCSCC(=O)OCCOC 62a_100012355270_200000040189 [0,1,0,0,0,0|1,0,0]=2 1277 B17R0.3110 C=CCCCCCCCSCC(=O)OCCOC 62a_200000040189_100012355270 [0,1,0,0,0,0|1,0,0]=2 1278 B17R0.3110 C=CCOCCOCCOCC(=O)CCCCC 34a_100000065479_200012276598 [0,1,0,0,0,0|3,0,0]=4 1279 B17R0.3110 C=CCOCCOCCOCC(=O)CCCCC 7a_100000065479_200012276598 [0,1,0,0,0,0|3,0,0]=4 1280 B17R0.3110 C=CCOCCOCCOCC(=O)NCCCC 34a_100000065479_100000182744 [0,1,0,0,0,0|3,0,0]=4 1281 B17R0.3110 C=CCOCCOCCOCC(=O)NCCCC 7a_100000065479_100000182744 [0,1,0,0,0,0|3,0,0]=4 1282 B17R0.3110 C=CCOCCOCCOCC(=O)OCCCC 34a_100000065479_100000211628 [0,1,0,0,0,0|2,0,0]=3 1283 B17R0.3110 C=CCOCCOCCOCC(=O)OCCCC 7a_100000065479_100000211628 [0,1,0,0,0,0|2,0,0]=3 1284 B17R0.3110 C=CCOCCOCCOCC(=O)OCCOC 34a_100000065479_200000040189 [0,1,0,0,0,0|3,0,0]=4 1285 B17R0.3110 C=CCOCCOCCOCC(=O)OCCOC 7a_100000065479_200000040189 [0,1,0,0,0,0|3,0,0]=4 1286 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCCC 34a_100016268722_100000211628 [0,1,0,0,0,0|1,0,2]=4 1287 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCCC 7a_100016268722_100000211628 [0,1,0,0,0,0|1,0,2]=4 1288 B17R0.3110 CCCCCC(=O)CCCCCCCCCCO 1458a_100000212188_100009813290 [0,1,0,0,0,0|1,0,2]=4 1289 B17R0.3110 CCCCCC(=O)CNCCCCCCCCO 2230a_102515433106_200012276598 [0,1,0,0,0,0|2,0,1]=4 1290 B17R0.3110 CCCCCC(=O)CNCCCCCCCCO 34a_102515433106_200012276598 [0,1,0,0,0,0|2,0,1]=4 1291 B17R0.3110 CCCCCC(=O)COCCCCCCCCBr 34a_100009813846_200012276598 [0,1,0,0,0,0|2,0,1]=4 1292 B17R0.3110 CCCCCC(=O)COCCCCCCCCBr 7a_100009813846_200012276598 [0,1,0,0,0,0|2,0,1]=4 1293 B17R0.3110 CCCCCC(=O)COCCCCCCCCCl 34a_100000033203_200012276598 [0,1,0,0,0,0|2,0,1]=4 1294 B17R0.3110 CCCCCC(=O)COCCCCCCCCCl 7a_100000033203_200012276598 [0,1,0,0,0,0|2,0,1]=4 1295 B17R0.3110 CCCCCC(=O)COCCCCCCCCN 34a_102515433106_200012276598 [0,1,0,0,0,0|2,0,1]=4 1296 B17R0.3110 CCCCCC(=O)CSCCCCCCCCO 62a_100000033203_200012276598 [0,1,0,0,0,0|2,0,1]=4 1297 B17R0.3110 CCCCCC(=O)CSCCCCCCCCO 62a_200012276598_100000033203 [0,1,0,0,0,0|2,0,1]=4 1298 B17R0.3110 CCCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000212188 [0,1,0,0,0,0|2,0,1]=4 1299 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210736 [0,1,0,0,0,0|1,0,2]=4 1300 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210736 [0,1,0,0,0,0|1,0,2]=4 1301 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210736 [0,1,0,0,0,0|1,0,2]=4 1302 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 2230a_106832991635_100000091854 [0,1,0,0,0,0|1,0,2]=4 1303 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 34a_100102657272_100000091854 [0,1,0,0,0,0|1,0,2]=4 1304 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 7a_106832991635_100000091854 [0,1,0,0,0,0|1,0,2]=4 1305 B17R0.3110 CCCCCCCCCCCC(=O)OCCOC 34a_100138415774_100000091854 [0,1,0,0,0,0|1,0,2]=4 1306 B17R0.3110 CCCCCCCCCCCC(=O)OCCSC 62a_200000210301_100000091854 [0,1,0,0,0,0|1,0,2]=4 1307 B17R0.3110 CCCCCCCCCCCC(=O)OCCS[13CH3] 62a_200025704644_100000091854 [0,1,0,0,0,0|1,0,2]=4 1308 B17R0.3110 CCCCCCCCCCCC(=O)OCNCC 2230a_100015525214_100020644155 [0,1,0,0,0,0|1,0,2]=4 1309 B17R0.3110 CCCCCCCCCCCC(=O)OCOCC 34a_100121572206_100020644155 [0,1,0,0,0,0|1,0,2]=4 1310 B17R0.3110 CCCCCCCCCCCC(=O)OCSCC 62a_100000210202_100020644155 [0,1,0,0,0,0|1,0,2]=4 1311 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 11a_100000684558_100000212188 [0,1,0,0,0,0|1,0,2]=4 1312 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 1626a_100000684558_100000212188 [0,1,0,0,0,0|1,0,2]=4 1313 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 240690a_100000684558_100000212188 [0,1,0,0,0,0|1,0,2]=4 1314 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 527a_100000684558_100000212188 [0,1,0,0,0,0|1,0,2]=4 1315 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000684558 [0,1,0,0,0,0|1,0,2]=4 1316 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 2708a_100000684558_100000102301 [0,1,0,0,0,0|1,0,2]=4 1317 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000684558 [0,1,0,0,0,0|1,0,2]=4 1318 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 273464a_100000684558_100000102301 [0,1,0,0,0,0|1,0,2]=4 1319 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 512a_100000102301_100000684558 [0,1,0,0,0,0|1,0,2]=4 1320 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 512a_100000684558_100000102301 [0,1,0,0,0,0|1,0,2]=4 1321 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 2230a_100000212291_200012276598 [0,1,0,0,0,0|1,0,2]=4 1322 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 34a_100000212291_200012276598 [0,1,0,0,0,0|1,0,2]=4 1323 B17R0.3110 CCCCCCCCCNCC(=O)NCCCC 2230a_100000212291_100000182744 [0,1,0,0,0,0|1,0,2]=4 1324 B17R0.3110 CCCCCCCCCNCC(=O)NCCCC 34a_100000212291_100000182744 [0,1,0,0,0,0|1,0,2]=4 1325 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 2230a_100000212291_100000211628 [0,1,0,0,0,0|0,0,2]=3 1326 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 34a_100000212291_100000211628 [0,1,0,0,0,0|0,0,2]=3 1327 B17R0.3110 CCCCCCCCCNCC(=O)OCCOC 2230a_100000212291_200000040189 [0,1,0,0,0,0|1,0,2]=4 1328 B17R0.3110 CCCCCCCCCNCC(=O)OCCOC 34a_100000212291_200000040189 [0,1,0,0,0,0|1,0,2]=4 1329 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 34a_100000210712_200012276598 [0,1,0,0,0,0|1,0,2]=4 1330 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 7a_100000210712_200012276598 [0,1,0,0,0,0|1,0,2]=4 1331 B17R0.3110 CCCCCCCCCOCC(=O)NCCCC 34a_100000210712_100000182744 [0,1,0,0,0,0|1,0,2]=4 1332 B17R0.3110 CCCCCCCCCOCC(=O)NCCCC 7a_100000210712_100000182744 [0,1,0,0,0,0|1,0,2]=4 1333 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 34a_100000210712_100000211628 [0,1,0,0,0,0|0,0,2]=3 1334 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 7a_100000210712_100000211628 [0,1,0,0,0,0|0,0,2]=3 1335 B17R0.3110 CCCCCCCCCOCC(=O)OCCOC 34a_100000210712_200000040189 [0,1,0,0,0,0|1,0,2]=4 1336 B17R0.3110 CCCCCCCCCOCC(=O)OCCOC 7a_100000210712_200000040189 [0,1,0,0,0,0|1,0,2]=4 1337 B17R0.3110 CCCCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210670 [0,1,0,0,0,0|1,0,2]=4 1338 B17R0.3110 CCCCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210670 [0,1,0,0,0,0|1,0,2]=4 1339 B17R0.3110 CCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210670 [0,1,0,0,0,0|0,0,2]=3 1340 B17R0.3110 CCCCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210670 [0,1,0,0,0,0|1,0,2]=4 1341 B17R0.3110 CCCCCCOCCOCC(=O)OCCCC 34a_100000691444_100000211628 [0,1,0,0,0,0|1,0,2]=4 1342 B17R0.3110 CCCCCCOCCOCC(=O)OCCCC 7a_100000691444_100000211628 [0,1,0,0,0,0|1,0,2]=4 1343 B17R0.3110 CCCCNC(=O)CCCCCCCCCCO 240690a_100000102301_200000016029 [0,1,0,0,0,0|1,0,2]=4 1344 B17R0.3110 CCCCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000182744 [0,1,0,0,0,0|2,0,1]=4 1345 B17R0.3110 CCCCNC(=O)CNCCCCCCCCO 34a_102515433106_100000182744 [0,1,0,0,0,0|2,0,1]=4 1346 B17R0.3110 CCCCNC(=O)COCCCCCCCCBr 34a_100009813846_100000182744 [0,1,0,0,0,0|2,0,1]=4 1347 B17R0.3110 CCCCNC(=O)COCCCCCCCCBr 7a_100009813846_100000182744 [0,1,0,0,0,0|2,0,1]=4 1348 B17R0.3110 CCCCNC(=O)COCCCCCCCCCl 34a_100000033203_100000182744 [0,1,0,0,0,0|2,0,1]=4 1349 B17R0.3110 CCCCNC(=O)COCCCCCCCCCl 7a_100000033203_100000182744 [0,1,0,0,0,0|2,0,1]=4 1350 B17R0.3110 CCCCNC(=O)COCCCCCCCCN 34a_102515433106_100000182744 [0,1,0,0,0,0|2,0,1]=4 1351 B17R0.3110 CCCCNC(=O)CSCCCCCCCCO 62a_100000033203_100000182744 [0,1,0,0,0,0|2,0,1]=4 1352 B17R0.3110 CCCCNC(=O)CSCCCCCCCCO 62a_100000182744_100000033203 [0,1,0,0,0,0|2,0,1]=4 1353 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000102301 [0,1,0,0,0,0|2,0,1]=4 1354 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 2708a_100000102301_100000078944 [0,1,0,0,0,0|2,0,1]=4 1355 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000102301 [0,1,0,0,0,0|2,0,1]=4 1356 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 273464a_100000102301_100000078944 [0,1,0,0,0,0|2,0,1]=4 1357 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000102301 [0,1,0,0,0,0|2,0,1]=4 1358 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 512a_100000102301_100000078944 [0,1,0,0,0,0|2,0,1]=4 1359 B17R0.3110 CCCCNCCCCOCC(=O)OCCCC 34a_200011216965_100000211628 [0,1,0,0,0,0|1,0,2]=4 1360 B17R0.3110 CCCCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000211628 [0,1,0,0,0,0|1,0,1]=3 1361 B17R0.3110 CCCCOC(=O)CNCCCCCCCCO 34a_102515433106_100000211628 [0,1,0,0,0,0|1,0,1]=3 1362 B17R0.3110 CCCCOC(=O)CNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000211628 [0,1,0,0,0,0|3,0,0]=4 1363 B17R0.3110 CCCCOC(=O)COCCCCCCCCBr 34a_100009813846_100000211628 [0,1,0,0,0,0|1,0,1]=3 1364 B17R0.3110 CCCCOC(=O)COCCCCCCCCBr 7a_100009813846_100000211628 [0,1,0,0,0,0|1,0,1]=3 1365 B17R0.3110 CCCCOC(=O)COCCCCCCCCCl 34a_100000033203_100000211628 [0,1,0,0,0,0|1,0,1]=3 1366 B17R0.3110 CCCCOC(=O)COCCCCCCCCCl 7a_100000033203_100000211628 [0,1,0,0,0,0|1,0,1]=3 1367 B17R0.3110 CCCCOC(=O)COCCCCCCCCN 34a_102515433106_100000211628 [0,1,0,0,0,0|1,0,1]=3 1368 B17R0.3110 CCCCOC(=O)COCCCCCNCCN 34a_103619048469_100000211628 [0,1,0,0,0,0|2,0,1]=4 1369 B17R0.3110 CCCCOC(=O)COCCCOCCCOC 34a_200011215475_100000211628 [0,1,0,0,0,0|2,0,1]=4 1370 B17R0.3110 CCCCOC(=O)COCCCOCCCOC 7a_200011215475_100000211628 [0,1,0,0,0,0|2,0,1]=4 1371 B17R0.3110 CCCCOC(=O)CSCCCCCCCCO 62a_100000033203_100000211628 [0,1,0,0,0,0|1,0,1]=3 1372 B17R0.3110 CCCCOC(=O)CSCCCCCCCCO 62a_100000211628_100000033203 [0,1,0,0,0,0|1,0,1]=3 1373 B17R0.3110 CCCCOCCCCOCC(=O)OCCCC 34a_200000760531_100000211628 [0,1,0,0,0,0|1,0,2]=4 1374 B17R0.3110 CCCCOCCCCOCC(=O)OCCCC 7a_200000760531_100000211628 [0,1,0,0,0,0|1,0,2]=4 1375 B17R0.3110 COCCOC(=O)CNCCCCCCCCO 2230a_102515433106_200000040189 [0,1,0,0,0,0|2,0,1]=4 1376 B17R0.3110 COCCOC(=O)CNCCCCCCCCO 34a_102515433106_200000040189 [0,1,0,0,0,0|2,0,1]=4 1377 B17R0.3110 COCCOC(=O)COCCCCCCCCBr 34a_100009813846_200000040189 [0,1,0,0,0,0|2,0,1]=4 1378 B17R0.3110 COCCOC(=O)COCCCCCCCCBr 7a_100009813846_200000040189 [0,1,0,0,0,0|2,0,1]=4 1379 B17R0.3110 COCCOC(=O)COCCCCCCCCCl 34a_100000033203_200000040189 [0,1,0,0,0,0|2,0,1]=4 1380 B17R0.3110 COCCOC(=O)COCCCCCCCCCl 7a_100000033203_200000040189 [0,1,0,0,0,0|2,0,1]=4 1381 B17R0.3110 COCCOC(=O)COCCCCCCCCN 34a_102515433106_200000040189 [0,1,0,0,0,0|2,0,1]=4 1382 B17R0.3110 COCCOC(=O)CSCCCCCCCCO 62a_100000033203_200000040189 [0,1,0,0,0,0|2,0,1]=4 1383 B17R0.3110 COCCOC(=O)CSCCCCCCCCO 62a_200000040189_100000033203 [0,1,0,0,0,0|2,0,1]=4 1384 B17R0.6195 C=CCCCCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000700193 [0,1,0,0,0,0|1,0,2]=4 1385 B17R0.6195 CCCCCCCC(C)OCC(=O)OCCCC 34a_200011215852_100000211628 [0,1,0,0,0,0|1,0,2]=4 1386 B17R0.6195 CCCCCCCC(C)OCC(=O)OCCCC 7a_200011215852_100000211628 [0,1,0,0,0,0|1,0,2]=4 1387 B17R0.6195 CCCCCCCC(C)SCC(=O)OCCCC 62a_100000211628_200011218727 [0,1,0,0,0,0|1,0,2]=4 1388 B17R0.6195 CCCCCCCC(C)SCC(=O)OCCCC 62a_200011218727_100000211628 [0,1,0,0,0,0|1,0,2]=4 1389 B17R0.12412 C#CCCCCC(=O)CCCCCCCCC=C 1458a_100000211349_100010269958 [0,1,0,0,0,0|1,0,1]=3 1390 B17R0.12412 C#CCCCCC(=O)CCCCCCCCC=C 1458a_100000696528_100011933949 [0,1,0,0,0,0|1,0,1]=3 1391 B17R0.12412 C#CCCCCCCCCC(=O)CCCCCC 1458a_100000029693_100000210757 [0,1,0,0,0,0|1,0,2]=4 1392 B17R0.12412 C#CCCCCCCCCC(=O)CCCCCF 1458a_100000029693_100000729378 [0,1,0,0,0,0|1,0,2]=4 1393 B17R0.12412 C#CCCCCCCCCC(=O)CCCCCO 1458a_100000029693_100000746330 [0,1,0,0,0,0|1,0,2]=4 1394 B17R0.12412 C#CCCCCCCCCC(=O)CCCCOC 1458a_100000029693_100000755781 [0,1,0,0,0,0|1,0,2]=4 1395 B17R0.12412 C#CCCCCCCCCC(=O)CCCOCC 1458a_100000029693_100012232248 [0,1,0,0,0,0|1,0,2]=4 1396 B17R0.12412 C#CCCCCCCCCC(=O)CCOCCC 1458a_100000029693_100011215938 [0,1,0,0,0,0|1,0,2]=4 1397 B17R0.12412 C#CCCCCCCCCC(=O)COCCCC 1458a_100000029693_100011995733 [0,1,0,0,0,0|0,0,2]=3 1398 B17R0.12412 C#CCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000029693 [0,1,0,0,0,0|1,0,2]=4 1399 B17R0.12412 C#CCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000029693 [0,1,0,0,0,0|1,0,2]=4 1400 B17R0.12412 C#CCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000029693 [0,1,0,0,0,0|1,0,2]=4 1401 B17R0.12412 C#CCCCCCCCCC(=O)NCCCCC 527a_100000209983_100000029693 [0,1,0,0,0,0|1,0,2]=4 1402 B17R0.12412 C#CCCCCCCCCC(=O)NCCCCO 240690a_100000750430_100000029693 [0,1,0,0,0,0|1,0,2]=4 1403 B17R0.12412 C#CCCCCCCCCC(=O)NCCCCO 527a_100000750430_100000029693 [0,1,0,0,0,0|1,0,2]=4 1404 B17R0.12412 C#CCCCCCCCCC(=O)NCCCOC 1626a_100150723488_100000029693 [0,1,0,0,0,0|1,0,2]=4 1405 B17R0.12412 C#CCCCCCCCCC(=O)NCCCOC 240690a_100150723488_100000029693 [0,1,0,0,0,0|1,0,2]=4 1406 B17R0.12412 C#CCCCCCCCCC(=O)NCCCOC 527a_100150723488_100000029693 [0,1,0,0,0,0|1,0,2]=4 1407 B17R0.12412 C#CCCCCCCCCC(=O)NCCCSC 11a_100000749238_100000029693 [0,1,0,0,0,0|1,0,2]=4 1408 B17R0.12412 C#CCCCCCCCCC(=O)NCCCSC 1626a_100000749238_100000029693 [0,1,0,0,0,0|1,0,2]=4 1409 B17R0.12412 C#CCCCCCCCCC(=O)NCCCSC 240690a_100000749238_100000029693 [0,1,0,0,0,0|1,0,2]=4 1410 B17R0.12412 C#CCCCCCCCCC(=O)NCCCSC 527a_100000749238_100000029693 [0,1,0,0,0,0|1,0,2]=4 1411 B17R0.12412 C#CCCCCCCCCC(=O)NCCOCC 11a_100011200944_100000029693 [0,1,0,0,0,0|1,0,2]=4 1412 B17R0.12412 C#CCCCCCCCCC(=O)NCCOCC 1626a_102516460346_100000029693 [0,1,0,0,0,0|1,0,2]=4 1413 B17R0.12412 C#CCCCCCCCCC(=O)NCCOCC 240690a_100011200944_100000029693 [0,1,0,0,0,0|1,0,2]=4 1414 B17R0.12412 C#CCCCCCCCCC(=O)NCCOCC 527a_100011200944_100000029693 [0,1,0,0,0,0|1,0,2]=4 1415 B17R0.12412 C#CCCCCCCCCC(=O)NCCSCC 11a_100000106463_100000029693 [0,1,0,0,0,0|1,0,2]=4 1416 B17R0.12412 C#CCCCCCCCCC(=O)NCCSCC 1626a_100000106463_100000029693 [0,1,0,0,0,0|1,0,2]=4 1417 B17R0.12412 C#CCCCCCCCCC(=O)NCCSCC 240690a_100000106463_100000029693 [0,1,0,0,0,0|1,0,2]=4 1418 B17R0.12412 C#CCCCCCCCCC(=O)NCCSCC 527a_100000106463_100000029693 [0,1,0,0,0,0|1,0,2]=4 1419 B17R0.12412 C#CCCCCCCCCC(=O)NNCCCC 22a_100025702795_100000029693 [0,1,0,0,0,0|1,0,2]=4 1420 B17R0.12412 C#CCCCCCCOCC(=O)OCCOCC 34a_100011217361_200000101388 [0,1,0,0,0,0|1,0,2]=4 1421 B17R0.12412 C#CCCCCCCOCC(=O)OCCOCC 7a_100011217361_200000101388 [0,1,0,0,0,0|1,0,2]=4 1422 B17R0.12412 C#CCCCCCCSCC(=O)OCCOCC 62a_100012276617_200000101388 [0,1,0,0,0,0|1,0,2]=4 1423 B17R0.12412 C#CCCCCCCSCC(=O)OCCOCC 62a_200000101388_100012276617 [0,1,0,0,0,0|1,0,2]=4 1424 B17R0.12412 C#CCCCNC(=O)CCCCCCCCC=C 11a_100000718082_100000211349 [0,1,0,0,0,0|1,0,1]=3 1425 B17R0.12412 C#CCCCNC(=O)CCCCCCCCC=C 1626a_100000718082_100000211349 [0,1,0,0,0,0|1,0,1]=3 1426 B17R0.12412 C#CCCCNC(=O)CCCCCCCCC=C 240690a_100000718082_100000211349 [0,1,0,0,0,0|1,0,1]=3 1427 B17R0.12412 C#CCCCNC(=O)CCCCCCCCC=C 527a_100000718082_100000211349 [0,1,0,0,0,0|1,0,1]=3 1428 B17R0.12412 C#CCOCCC(=O)CCCCCCCCC=C 1458a_100000211349_100010402529 [0,1,0,0,0,0|1,0,2]=4 1429 B17R0.12412 C#CCOCCC(=O)CCCCCCCCC=C 1458a_100000693358_100011933949 [0,1,0,0,0,0|1,0,2]=4 1430 B17R0.12412 C=CCCC/C=C/COCC(=O)OCCOCC 34a_200016268473_200000101388 [0,1,0,0,0,0|1,0,2]=4 1431 B17R0.12412 C=CCCC/C=C/COCC(=O)OCCOCC 7a_200016268473_200000101388 [0,1,0,0,0,0|1,0,2]=4 1432 B17R0.12412 C=CCCCCCCCCC(=O)C/C=C/CCC 1458a_200016266809_100011933949 [0,1,0,0,0,0|1,0,1]=3 1433 B17R0.12412 C=CCCCCCCCCC(=O)C=CCCCC 1458a_100016266645_100011933949 [0,1,0,0,0,0|1,0,0]=2 1434 B17R0.12412 C=CCCCCCCCCC(=O)CC/C=C\CC 1458a_100000211349_100015370543 [0,1,0,0,0,0|1,0,1]=3 1435 B17R0.12412 C=CCCCCCCCCC(=O)CCCCC#N 1458a_100000211349_100000211819 [0,1,0,0,0,0|1,0,1]=3 1436 B17R0.12412 C=CCCCCCCCCC(=O)CCCCC=C 1458a_100000211349_100011215482 [0,1,0,0,0,0|1,0,1]=3 1437 B17R0.12412 C=CCCCCCCCCC(=O)CCCCC=C 1458a_100011215552_100011933949 [0,1,0,0,0,0|1,0,1]=3 1438 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCC 1458a_100000211349_100000210757 [0,1,0,0,0,0|1,0,0]=2 1439 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCC 1458a_100102632555_100011933949 [0,1,0,0,0,0|1,0,0]=2 1440 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCF 1458a_100000211349_100000729378 [0,1,0,0,0,0|1,0,0]=2 1441 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCO 1458a_100000211349_100000746330 [0,1,0,0,0,0|1,0,0]=2 1442 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCO 1458a_100102619762_100011933949 [0,1,0,0,0,0|1,0,0]=2 1443 B17R0.12412 C=CCCCCCCCCC(=O)CCCCOC 1458a_100000211349_100000755781 [0,1,0,0,0,0|1,0,0]=2 1444 B17R0.12412 C=CCCCCCCCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100011933949 [0,1,0,0,0,0|3,0,0]=4 1445 B17R0.12412 C=CCCCCCCCCC(=O)CCCOCC 1458a_100000211349_100012232248 [0,1,0,0,0,0|1,0,0]=2 1446 B17R0.12412 C=CCCCCCCCCC(=O)CCOCC#N 1458a_100000211349_200000047693 [0,1,0,0,0,0|2,0,1]=4 1447 B17R0.12412 C=CCCCCCCCCC(=O)CCOCC=C 1458a_200011217002_100011933949 [0,1,0,0,0,0|1,0,2]=4 1448 B17R0.12412 C=CCCCCCCCCC(=O)CCOCCC 1458a_100000211349_100011215938 [0,1,0,0,0,0|1,0,0]=2 1449 B17R0.12412 C=CCCCCCCCCC(=O)CCOCCO 1458a_100000211349_100011215305 [0,1,0,0,0,0|2,0,0]=3 1450 B17R0.12412 C=CCCCCCCCCC(=O)CCOCCO 1458a_100011229844_100011933949 [0,1,0,0,0,0|2,0,0]=3 1451 B17R0.12412 C=CCCCCCCCCC(=O)COCCCC 1458a_100000211349_100011995733 [0,1,0,0,0,0|0,0,0]=1 1452 B17R0.12412 C=CCCCCCCCCC(=O)COCCCC 1458a_100000757543_100011933949 [0,1,0,0,0,0|0,0,0]=1 1453 B17R0.12412 C=CCCCCCCCCC(=O)COCCOC 1458a_100000211095_100011933949 [0,1,0,0,0,0|1,0,0]=2 1454 B17R0.12412 C=CCCCCCCCCC(=O)CSCCCC 1458a_100000191162_100011933949 [0,1,0,0,0,0|0,1,0]=2 1455 B17R0.12412 C=CCCCCCCCCC(=O)NCCCC=C 11a_100000700776_100000211349 [0,1,0,0,0,0|1,0,1]=3 1456 B17R0.12412 C=CCCCCCCCCC(=O)NCCCC=C 1626a_100000700776_100000211349 [0,1,0,0,0,0|1,0,1]=3 1457 B17R0.12412 C=CCCCCCCCCC(=O)NCCCC=C 240690a_100000700776_100000211349 [0,1,0,0,0,0|1,0,1]=3 1458 B17R0.12412 C=CCCCCCCCCC(=O)NCCCC=C 527a_100000700776_100000211349 [0,1,0,0,0,0|1,0,1]=3 1459 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000211349 [0,1,0,0,0,0|1,0,0]=2 1460 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000211349 [0,1,0,0,0,0|1,0,0]=2 1461 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000211349 [0,1,0,0,0,0|1,0,0]=2 1462 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 527a_100000209983_100000211349 [0,1,0,0,0,0|1,0,0]=2 1463 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCO 240690a_100000750430_100000211349 [0,1,0,0,0,0|1,0,0]=2 1464 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCO 527a_100000750430_100000211349 [0,1,0,0,0,0|1,0,0]=2 1465 B17R0.12412 C=CCCCCCCCCC(=O)NCCCOC 1626a_100150723488_100000211349 [0,1,0,0,0,0|1,0,0]=2 1466 B17R0.12412 C=CCCCCCCCCC(=O)NCCCOC 240690a_100150723488_100000211349 [0,1,0,0,0,0|1,0,0]=2 1467 B17R0.12412 C=CCCCCCCCCC(=O)NCCCOC 527a_100150723488_100000211349 [0,1,0,0,0,0|1,0,0]=2 1468 B17R0.12412 C=CCCCCCCCCC(=O)NCCCSC 11a_100000749238_100000211349 [0,1,0,0,0,0|1,0,0]=2 1469 B17R0.12412 C=CCCCCCCCCC(=O)NCCCSC 1626a_100000749238_100000211349 [0,1,0,0,0,0|1,0,0]=2 1470 B17R0.12412 C=CCCCCCCCCC(=O)NCCCSC 240690a_100000749238_100000211349 [0,1,0,0,0,0|1,0,0]=2 1471 B17R0.12412 C=CCCCCCCCCC(=O)NCCCSC 527a_100000749238_100000211349 [0,1,0,0,0,0|1,0,0]=2 1472 B17R0.12412 C=CCCCCCCCCC(=O)NCCOCC 11a_100011200944_100000211349 [0,1,0,0,0,0|1,0,0]=2 1473 B17R0.12412 C=CCCCCCCCCC(=O)NCCOCC 1626a_102516460346_100000211349 [0,1,0,0,0,0|1,0,0]=2 1474 B17R0.12412 C=CCCCCCCCCC(=O)NCCOCC 240690a_100011200944_100000211349 [0,1,0,0,0,0|1,0,0]=2 1475 B17R0.12412 C=CCCCCCCCCC(=O)NCCOCC 527a_100011200944_100000211349 [0,1,0,0,0,0|1,0,0]=2 1476 B17R0.12412 C=CCCCCCCCCC(=O)NCCSCC 11a_100000106463_100000211349 [0,1,0,0,0,0|1,0,0]=2 1477 B17R0.12412 C=CCCCCCCCCC(=O)NCCSCC 1626a_100000106463_100000211349 [0,1,0,0,0,0|1,0,0]=2 1478 B17R0.12412 C=CCCCCCCCCC(=O)NCCSCC 240690a_100000106463_100000211349 [0,1,0,0,0,0|1,0,0]=2 1479 B17R0.12412 C=CCCCCCCCCC(=O)NCCSCC 527a_100000106463_100000211349 [0,1,0,0,0,0|1,0,0]=2 1480 B17R0.12412 C=CCCCCCCCCC(=O)NN=CCCC 4a_200000015944_100000185831 [0,1,0,0,0,0|1,0,1]=3 1481 B17R0.12412 C=CCCCCCCCCC(=O)NNCCC#N 22a_100000229987_100000211349 [0,1,0,0,0,0|2,0,1]=4 1482 B17R0.12412 C=CCCCCCCCCC(=O)NNCCCC 22a_100025702795_100000211349 [0,1,0,0,0,0|1,0,0]=2 1483 B17R0.12412 C=CCCCCCCCCC(=O)NNCCOC 22a_100000741390_100000211349 [0,1,0,0,0,0|2,0,0]=3 1484 B17R0.12412 C=CCCCCCCCCN(C)CCCCCC 2230a_106256046315_100011933949 [0,1,0,0,0,0|3,0,0]=4 1485 B17R0.12412 C=CCCCCCCCCN(C)CCCCCC 269982a_106256046315_100011933949 [0,1,0,0,0,0|3,0,0]=4 1486 B17R0.12412 C=CCCCCCCCCN(C)CCCCCO 2230a_100000722520_100011933949 [0,1,0,0,0,0|3,0,0]=4 1487 B17R0.12412 C=CCCCCCCCCN(C)CCCCCO 269982a_100000722520_100011933949 [0,1,0,0,0,0|3,0,0]=4 1488 B17R0.12412 C=CCCCCCCCOC(C)COCCCC 34a_100011217071_100012355270 [0,1,0,0,0,0|2,0,1]=4 1489 B17R0.12412 C=CCCCCCCCOC(C)COCCCC 7a_100011217071_100012355270 [0,1,0,0,0,0|2,0,1]=4 1490 B17R0.12412 C=CCCCCCCOCC(=O)NCCCCC 34a_200011216477_100000230301 [0,1,0,0,0,0|2,0,0]=3 1491 B17R0.12412 C=CCCCCCCOCC(=O)NCCCCC 7a_200011216477_100000230301 [0,1,0,0,0,0|2,0,0]=3 1492 B17R0.12412 C=CCCCCCCOCC(=O)NCCCOC 34a_200011216477_100000183178 [0,1,0,0,0,0|2,0,0]=3 1493 B17R0.12412 C=CCCCCCCOCC(=O)NCCCOC 7a_200011216477_100000183178 [0,1,0,0,0,0|2,0,0]=3 1494 B17R0.12412 C=CCCCCCCOCC(=O)OCCOCC 34a_200011216477_200000101388 [0,1,0,0,0,0|1,0,0]=2 1495 B17R0.12412 C=CCCCCCCOCC(=O)OCCOCC 7a_200011216477_200000101388 [0,1,0,0,0,0|1,0,0]=2 1496 B17R0.12412 C=CCCCCCCSCC(=O)NCCCCC 62a_100000230301_100011215473 [0,1,0,0,0,0|2,0,0]=3 1497 B17R0.12412 C=CCCCCCCSCC(=O)NCCCCC 62a_100011215473_100000230301 [0,1,0,0,0,0|2,0,0]=3 1498 B17R0.12412 C=CCCCCCCSCC(=O)NCCCOC 62a_100000183178_100011215473 [0,1,0,0,0,0|2,0,0]=3 1499 B17R0.12412 C=CCCCCCCSCC(=O)OCCOCC 62a_100011215473_200000101388 [0,1,0,0,0,0|1,0,0]=2 1500 B17R0.12412 C=CCCCCCCSCC(=O)OCCOCC 62a_200000101388_100011215473 [0,1,0,0,0,0|1,0,0]=2 1501 B17R0.12412 C=COCCOCCOCC(=O)OCCOCC 34a_100000039918_200000101388 [0,1,0,0,0,0|3,0,0]=4 1502 B17R0.12412 C=COCCOCCOCC(=O)OCCOCC 7a_100000039918_200000101388 [0,1,0,0,0,0|3,0,0]=4 1503 B17R0.12412 CC#CCCCCCCCC(=O)COCCCC 1458a_100000066323_100011995733 [0,1,0,0,0,0|0,0,3]=4 1504 B17R0.12412 CCCCC=CC(=O)CCCCCCCCCC 1458a_100016266645_100000210319 [0,1,0,0,0,0|1,0,2]=4 1505 B17R0.12412 CCCCC=CC(=O)CCCCCCCCCO 1458a_100016266645_100009813782 [0,1,0,0,0,0|2,0,1]=4 1506 B17R0.12412 CCCCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210757 [0,1,0,0,0,0|2,0,1]=4 1507 B17R0.12412 CCCCCCC(=O)CCCCCCCCCO 1458a_100102632555_100009813782 [0,1,0,0,0,0|2,0,1]=4 1508 B17R0.12412 CCCCCCCCCCC(=O)CCCCCF 1458a_100000210375_100000729378 [0,1,0,0,0,0|1,0,2]=4 1509 B17R0.12412 CCCCCCCCCCC(=O)CCCCCO 1458a_100000210375_100000746330 [0,1,0,0,0,0|1,0,2]=4 1510 B17R0.12412 CCCCCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210319 [0,1,0,0,0,0|1,0,2]=4 1511 B17R0.12412 CCCCCCCCCCC(=O)CCCCOC 1458a_100000210375_100000755781 [0,1,0,0,0,0|1,0,2]=4 1512 B17R0.12412 CCCCCCCCCCC(=O)CCCOCC 1458a_100000210375_100012232248 [0,1,0,0,0,0|1,0,2]=4 1513 B17R0.12412 CCCCCCCCCCC(=O)CCOCCC 1458a_100000210375_100011215938 [0,1,0,0,0,0|1,0,2]=4 1514 B17R0.12412 CCCCCCCCCCC(=O)COCCCC 1458a_100000210375_100011995733 [0,1,0,0,0,0|0,0,2]=3 1515 B17R0.12412 CCCCCCCCCCC(=O)COCCCC 1458a_100000757543_100000210319 [0,1,0,0,0,0|0,0,2]=3 1516 B17R0.12412 CCCCCCCCCCC(=O)COCCOC 1458a_100000211095_100000210319 [0,1,0,0,0,0|1,0,2]=4 1517 B17R0.12412 CCCCCCCCCCC(=O)CSCCCC 1458a_100000191162_100000210319 [0,1,0,0,0,0|0,1,2]=4 1518 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000210375 [0,1,0,0,0,0|1,0,2]=4 1519 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000210375 [0,1,0,0,0,0|1,0,2]=4 1520 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000210375 [0,1,0,0,0,0|1,0,2]=4 1521 B17R0.12412 CCCCCCCCCCC(=O)NCCCCO 240690a_100000750430_100000210375 [0,1,0,0,0,0|1,0,2]=4 1522 B17R0.12412 CCCCCCCCCCC(=O)NCCCOC 1626a_100150723488_100000210375 [0,1,0,0,0,0|1,0,2]=4 1523 B17R0.12412 CCCCCCCCCCC(=O)NCCCOC 240690a_100150723488_100000210375 [0,1,0,0,0,0|1,0,2]=4 1524 B17R0.12412 CCCCCCCCCCC(=O)NCCCSC 11a_100000749238_100000210375 [0,1,0,0,0,0|1,0,2]=4 1525 B17R0.12412 CCCCCCCCCCC(=O)NCCCSC 1626a_100000749238_100000210375 [0,1,0,0,0,0|1,0,2]=4 1526 B17R0.12412 CCCCCCCCCCC(=O)NCCCSC 240690a_100000749238_100000210375 [0,1,0,0,0,0|1,0,2]=4 1527 B17R0.12412 CCCCCCCCCCC(=O)NCCOCC 11a_100011200944_100000210375 [0,1,0,0,0,0|1,0,2]=4 1528 B17R0.12412 CCCCCCCCCCC(=O)NCCOCC 1626a_102516460346_100000210375 [0,1,0,0,0,0|1,0,2]=4 1529 B17R0.12412 CCCCCCCCCCC(=O)NCCOCC 240690a_100011200944_100000210375 [0,1,0,0,0,0|1,0,2]=4 1530 B17R0.12412 CCCCCCCCCCC(=O)NCCSCC 11a_100000106463_100000210375 [0,1,0,0,0,0|1,0,2]=4 1531 B17R0.12412 CCCCCCCCCCC(=O)NCCSCC 1626a_100000106463_100000210375 [0,1,0,0,0,0|1,0,2]=4 1532 B17R0.12412 CCCCCCCCCCC(=O)NCCSCC 240690a_100000106463_100000210375 [0,1,0,0,0,0|1,0,2]=4 1533 B17R0.12412 CCCCCCCCCCC(=O)NNCCCC 22a_100025702795_100000210375 [0,1,0,0,0,0|1,0,2]=4 1534 B17R0.12412 CCCCCCCCCNC(=O)COCCCC 11a_100000212291_100000757543 [0,1,0,0,0,0|1,0,2]=4 1535 B17R0.12412 CCCCCCCCCNC(=O)COCCCC 1626a_100000212291_100000757543 [0,1,0,0,0,0|1,0,2]=4 1536 B17R0.12412 CCCCCCCCCNC(=O)COCCCC 240690a_100000212291_100000757543 [0,1,0,0,0,0|1,0,2]=4 1537 B17R0.12412 CCCCCCCCCNC(=O)COCCCC 527a_100000212291_100000757543 [0,1,0,0,0,0|1,0,2]=4 1538 B17R0.12412 CCCCCCCCNCC(=O)OCCOCC 2230a_100000229939_200000101388 [0,1,0,0,0,0|1,0,2]=4 1539 B17R0.12412 CCCCCCCCNCC(=O)OCCOCC 34a_100000229939_200000101388 [0,1,0,0,0,0|1,0,2]=4 1540 B17R0.12412 CCCCCCCCOCC(=O)COCCCC 1458a_100000759886_100011995733 [0,1,0,0,0,0|1,0,2]=4 1541 B17R0.12412 CCCCCCCCOCC(=O)OCCOCC 34a_100000210232_200000101388 [0,1,0,0,0,0|1,0,2]=4 1542 B17R0.12412 CCCCCCCCOCC(=O)OCCOCC 7a_100000210232_200000101388 [0,1,0,0,0,0|1,0,2]=4 1543 B17R0.12412 CCCCCCCCSCC(=O)OCCOCC 62a_100000210759_200000101388 [0,1,0,0,0,0|1,0,2]=4 1544 B17R0.12412 CCCCCCCCSCC(=O)OCCOCC 62a_200000101388_100000210317 [0,1,0,0,0,0|1,0,2]=4 1545 B17R0.12412 CCCCCNC(=O)CCCCCCCCCF 11a_100000209983_200009909015 [0,1,0,0,0,0|2,0,1]=4 1546 B17R0.12412 CCCCCNC(=O)CCCCCCCCCF 240690a_100000209983_200009909015 [0,1,0,0,0,0|2,0,1]=4 1547 B17R0.12412 CCCCCNC(=O)CCCCCCCCCF 527a_100000209983_200009909015 [0,1,0,0,0,0|2,0,1]=4 1548 B17R0.12412 CCCCCNC(=O)CCCCCCCCCO 240690a_100000209983_100000032657 [0,1,0,0,0,0|2,0,1]=4 1549 B17R0.12412 CCCCNNC(=O)CCCCCCCCCF 22a_100025702795_200009909015 [0,1,0,0,0,0|2,0,1]=4 1550 B17R0.12412 CCCCNNC(=O)CCCCCCCCCO 22a_100025702795_100000032657 [0,1,0,0,0,0|2,0,1]=4 1551 B17R0.12412 CCCCOCC(=O)CCCCCCCCCF 1458a_200009909015_100011995733 [0,1,0,0,0,0|1,0,1]=3 1552 B17R0.12412 CCCCOCC(=O)CCCCCCCCCO 1458a_100000757543_100009813782 [0,1,0,0,0,0|1,0,1]=3 1553 B17R0.12412 CCCCOCC(=O)NCCCCCCCCO 240690a_102515433106_100000757543 [0,1,0,0,0,0|2,0,1]=4 1554 B17R0.12412 CCCCSCC(=O)CCCCCCCCCO 1458a_100000191162_100009813782 [0,1,0,0,0,0|1,1,1]=4 1555 B17R0.12412 CCCOCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215938 [0,1,0,0,0,0|2,0,1]=4 1556 B17R0.12412 CCOCCCC(=O)CCCCCCCCCF 1458a_200009909015_100012232248 [0,1,0,0,0,0|2,0,1]=4 1557 B17R0.12412 CCOCCNC(=O)CCCCCCCCCF 11a_100011200944_200009909015 [0,1,0,0,0,0|2,0,1]=4 1558 B17R0.12412 CCOCCNC(=O)CCCCCCCCCF 240690a_100011200944_200009909015 [0,1,0,0,0,0|2,0,1]=4 1559 B17R0.12412 CCOCCNC(=O)CCCCCCCCCF 527a_100011200944_200009909015 [0,1,0,0,0,0|2,0,1]=4 1560 B17R0.12412 CCOCCNC(=O)CCCCCCCCCO 240690a_100011200944_100000032657 [0,1,0,0,0,0|2,0,1]=4 1561 B17R0.12412 CCOCCOC(=O)CNCCCCCCCO 2230a_100011996573_200000101388 [0,1,0,0,0,0|2,0,1]=4 1562 B17R0.12412 CCOCCOC(=O)CNCCCCCCCO 34a_100011996573_200000101388 [0,1,0,0,0,0|2,0,1]=4 1563 B17R0.12412 CCOCCOC(=O)COCCCCCCCBr 34a_100000760002_200000101388 [0,1,0,0,0,0|2,0,1]=4 1564 B17R0.12412 CCOCCOC(=O)COCCCCCCCBr 7a_100000760002_200000101388 [0,1,0,0,0,0|2,0,1]=4 1565 B17R0.12412 CCOCCOC(=O)COCCCCCCCN 34a_100011996573_200000101388 [0,1,0,0,0,0|2,0,1]=4 1566 B17R0.12412 CCOCCOC(=O)COCCCCCCOC 34a_200012092642_200000101388 [0,1,0,0,0,0|2,0,1]=4 1567 B17R0.12412 CCOCCOC(=O)COCCCCCCOC 7a_200012092642_200000101388 [0,1,0,0,0,0|2,0,1]=4 1568 B17R0.12412 CCOCCOC(=O)CSCCCCCCC#N 62a_100009813337_200000101388 [0,1,0,0,0,0|2,0,1]=4 1569 B17R0.12412 CCOCCOC(=O)CSCCCCCCC#N 62a_200000101388_100009813337 [0,1,0,0,0,0|2,0,1]=4 1570 B17R0.12412 CCOCCOC(=O)CSCCCCCCCO 62a_100000760002_200000101388 [0,1,0,0,0,0|2,0,1]=4 1571 B17R0.12412 CCOCCOC(=O)CSCCCCCCCO 62a_200000101388_100000760002 [0,1,0,0,0,0|2,0,1]=4 1572 B17R0.12412 CCOCCOC(=O)CSCCCCCCOC 62a_100011998445_200000101388 [0,1,0,0,0,0|2,0,1]=4 1573 B17R0.12412 CCOCCOC(=O)CSCCCCCCOC 62a_200000101388_100011998445 [0,1,0,0,0,0|2,0,1]=4 1574 B17R0.12412 CCSCCNC(=O)CCCCCCCCCF 11a_100000106463_200009909015 [0,1,0,0,0,0|2,0,1]=4 1575 B17R0.12412 CCSCCNC(=O)CCCCCCCCCF 240690a_100000106463_200009909015 [0,1,0,0,0,0|2,0,1]=4 1576 B17R0.12412 CCSCCNC(=O)CCCCCCCCCF 527a_100000106463_200009909015 [0,1,0,0,0,0|2,0,1]=4 1577 B17R0.12412 CCSCCNC(=O)CCCCCCCCCO 240690a_100000106463_100000032657 [0,1,0,0,0,0|2,0,1]=4 1578 B17R0.12412 COCCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000755781 [0,1,0,0,0,0|2,0,1]=4 1579 B17R0.12412 COCCCNC(=O)CCCCCCCCCF 240690a_100150723488_200009909015 [0,1,0,0,0,0|2,0,1]=4 1580 B17R0.12412 COCCCNC(=O)CCCCCCCCCF 527a_100150723488_200009909015 [0,1,0,0,0,0|2,0,1]=4 1581 B17R0.12412 COCCCNC(=O)CCCCCCCCCO 240690a_100150723488_100000032657 [0,1,0,0,0,0|2,0,1]=4 1582 B17R0.12412 COCCOCC(=O)CCCCCCCCCO 1458a_100000211095_100009813782 [0,1,0,0,0,0|2,0,1]=4 1583 B17R0.12412 CSCCCNC(=O)CCCCCCCCCF 11a_100000749238_200009909015 [0,1,0,0,0,0|2,0,1]=4 1584 B17R0.12412 CSCCCNC(=O)CCCCCCCCCF 240690a_100000749238_200009909015 [0,1,0,0,0,0|2,0,1]=4 1585 B17R0.12412 CSCCCNC(=O)CCCCCCCCCF 527a_100000749238_200009909015 [0,1,0,0,0,0|2,0,1]=4 1586 B17R0.12412 CSCCCNC(=O)CCCCCCCCCO 240690a_100000749238_100000032657 [0,1,0,0,0,0|2,0,1]=4 1587 B17R0.12412 O=C(CCCCCCCCCF)NCCCCO 240690a_100000750430_200009909015 [0,1,0,0,0,0|2,0,1]=4 1588 B17R0.12412 O=C(CCCCCCCCCF)NCCCCO 527a_100000750430_200009909015 [0,1,0,0,0,0|2,0,1]=4 1589 B17R0.12412 O=C(CCCCCCCCCO)NCCCCO 240690a_100000750430_100000032657 [0,1,0,0,0,0|2,0,1]=4 1590 B17R0.12412 O=C(CCCCCF)CCCCCCCCCF 1458a_200009909015_100000729378 [0,1,0,0,0,0|2,0,1]=4 1591 B17R0.12412 O=C(CCCCCO)CCCCCCCCCF 1458a_200009909015_100000746330 [0,1,0,0,0,0|2,0,1]=4 1592 B17R0.12412 O=C(CCCCCO)CCCCCCCCCO 1458a_100102619762_100009813782 [0,1,0,0,0,0|2,0,1]=4 1593 B17R0.12415 C#CCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000029693 [0,1,0,0,0,0|1,0,2]=4 1594 B17R0.12415 C#CCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000029693 [0,1,0,0,0,0|1,0,2]=4 1595 B17R0.12415 C#CCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000029693 [0,1,0,0,0,0|1,0,2]=4 1596 B17R0.12415 C#CCCCCCCCCC(=O)NCC(C)CC 527a_100020588543_100000029693 [0,1,0,0,0,0|1,0,2]=4 1597 B17R0.12415 C#CCCCCCCCCC(=O)NCC(O)CC 11a_100011218483_100000029693 [0,1,0,0,0,0|1,0,2]=4 1598 B17R0.12415 C#CCCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100000029693 [0,1,0,0,0,0|1,0,2]=4 1599 B17R0.12415 C#CCCCCCCCCC(=O)NCC(O)CC 527a_100011218483_100000029693 [0,1,0,0,0,0|1,0,2]=4 1600 B17R0.12415 C=CCCCCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100011933949 [0,1,0,0,0,0|2,0,1]=4 1601 B17R0.12415 C=CCCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100011933949 [0,1,0,0,0,0|2,0,1]=4 1602 B17R0.12415 C=CCCCCCCCCC(=O)CCC(C)CC 1458a_100000701222_100011933949 [0,1,0,0,0,0|1,0,0]=2 1603 B17R0.12415 C=CCCCCCCCCC(=O)CCN(C)CC 1458a_100000755305_100011933949 [0,1,0,0,0,0|2,0,0]=3 1604 B17R0.12415 C=CCCCCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100011933949 [0,1,0,0,0,0|2,0,0]=3 1605 B17R0.12415 C=CCCCCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100011933949 [0,1,0,0,0,0|2,0,1]=4 1606 B17R0.12415 C=CCCCCCCCCC(=O)NCC(=O)NC 11a_100000693194_100000211349 [0,1,0,0,0,0|2,0,1]=4 1607 B17R0.12415 C=CCCCCCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000211349 [0,1,0,0,0,0|2,0,1]=4 1608 B17R0.12415 C=CCCCCCCCCC(=O)NCC(=O)NC 527a_100000693194_100000211349 [0,1,0,0,0,0|2,0,1]=4 1609 B17R0.12415 C=CCCCCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000211349 [0,1,0,0,0,0|2,0,1]=4 1610 B17R0.12415 C=CCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000211349 [0,1,0,0,0,0|1,0,0]=2 1611 B17R0.12415 C=CCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000211349 [0,1,0,0,0,0|1,0,0]=2 1612 B17R0.12415 C=CCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000211349 [0,1,0,0,0,0|1,0,0]=2 1613 B17R0.12415 C=CCCCCCCCCC(=O)NCC(C)CC 527a_100020588543_100000211349 [0,1,0,0,0,0|1,0,0]=2 1614 B17R0.12415 C=CCCCCCCCCC(=O)NCC(C)CO 240690a_100000744482_100000211349 [0,1,0,0,0,0|2,0,0]=3 1615 B17R0.12415 C=CCCCCCCCCC(=O)NCC(C)CO 527a_100000744482_100000211349 [0,1,0,0,0,0|2,0,0]=3 1616 B17R0.12415 C=CCCCCCCCCC(=O)NCC(O)CC 11a_100011218483_100000211349 [0,1,0,0,0,0|1,0,0]=2 1617 B17R0.12415 C=CCCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100000211349 [0,1,0,0,0,0|1,0,0]=2 1618 B17R0.12415 C=CCCCCCCCCC(=O)NCC(O)CC 527a_100011218483_100000211349 [0,1,0,0,0,0|1,0,0]=2 1619 B17R0.12415 C=CCCCCCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211349 [0,1,0,0,0,0|2,0,0]=3 1620 B17R0.12415 C=CCCCCCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211349 [0,1,0,0,0,0|2,0,0]=3 1621 B17R0.12415 C=CCCCCCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211349 [0,1,0,0,0,0|2,0,0]=3 1622 B17R0.12415 C=CCCCCCCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211349 [0,1,0,0,0,0|2,0,0]=3 1623 B17R0.12415 C=CCCCCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211349 [0,1,0,0,0,0|2,0,0]=3 1624 B17R0.12415 C=CCCCCCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211349 [0,1,0,0,0,0|2,0,0]=3 1625 B17R0.12415 C=CCCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211349 [0,1,0,0,0,0|2,0,0]=3 1626 B17R0.12415 C=CCCCCCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211349 [0,1,0,0,0,0|2,0,0]=3 1627 B17R0.12415 C=CCCCCCCCCC(=O)NNC(=O)CC 22a_100000183195_100000211349 [0,1,0,0,0,0|2,0,1]=4 1628 B17R0.12415 C=CCCCCCCCCC(=O)NNC(=O)CC 22a_200000015944_100000210414 [0,1,0,0,0,0|2,0,1]=4 1629 B17R0.12415 C=CCCCCCCCCC(=O)NNC(C)CC 22a_100000718999_100000211349 [0,1,0,0,0,0|2,0,0]=3 1630 B17R0.12415 C=CCCCCCCOCC(=O)NCC(O)CO 34a_200011216477_200012027429 [0,1,0,0,0,0|3,0,0]=4 1631 B17R0.12415 C=CCCCCCCOCC(=O)NCC(O)CO 7a_200011216477_200012027429 [0,1,0,0,0,0|3,0,0]=4 1632 B17R0.12415 C=CCCCCCCSCC(=O)NCC(O)CO 62a_100011215473_200012027429 [0,1,0,0,0,0|3,0,0]=4 1633 B17R0.12415 C=CCCCCCCSCC(=O)NCC(O)CO 62a_200012027429_100011215473 [0,1,0,0,0,0|3,0,0]=4 1634 B17R0.12415 CCC(C)CCC(=O)CCCCCCCCCO 1458a_100000701222_100009813782 [0,1,0,0,0,0|2,0,1]=4 1635 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCF 11a_100020588543_200009909015 [0,1,0,0,0,0|2,0,1]=4 1636 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCF 240690a_100020588543_200009909015 [0,1,0,0,0,0|2,0,1]=4 1637 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCF 527a_100020588543_200009909015 [0,1,0,0,0,0|2,0,1]=4 1638 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCO 240690a_100020588543_100000032657 [0,1,0,0,0,0|2,0,1]=4 1639 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 11a_100011218483_200009909015 [0,1,0,0,0,0|2,0,1]=4 1640 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 240690a_100011218483_200009909015 [0,1,0,0,0,0|2,0,1]=4 1641 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 527a_100011218483_200009909015 [0,1,0,0,0,0|2,0,1]=4 1642 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCO 240690a_100011218483_100000032657 [0,1,0,0,0,0|2,0,1]=4 1643 B17R0.12415 CCCCCCCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210319 [0,1,0,0,0,0|1,0,2]=4 1644 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000210375 [0,1,0,0,0,0|1,0,2]=4 1645 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000210375 [0,1,0,0,0,0|1,0,2]=4 1646 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000210375 [0,1,0,0,0,0|1,0,2]=4 1647 B17R0.12415 CCCCCCCCCCC(=O)NCC(O)CC 11a_100011218483_100000210375 [0,1,0,0,0,0|1,0,2]=4 1648 B17R0.12415 CCCCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100000210375 [0,1,0,0,0,0|1,0,2]=4 1649 B17R0.12416 C#CCCCCCCCCC(=O)C(C)CCCC 1458a_100000029693_200011215066 [0,1,0,0,0,0|1,0,2]=4 1650 B17R0.12416 C#CCCCCCCCCC(=O)N(C)CCCC 11a_100000207549_100000029693 [0,1,0,0,0,0|1,0,2]=4 1651 B17R0.12416 C#CCCCCCCCCC(=O)N(C)CCCC 1626a_100000207549_100000029693 [0,1,0,0,0,0|1,0,2]=4 1652 B17R0.12416 C#CCCCCCCCCC(=O)N(C)CCCC 240690a_100000207549_100000029693 [0,1,0,0,0,0|1,0,2]=4 1653 B17R0.12416 C#CCCCCCCCCC(=O)N(C)CCCC 527a_100000207549_100000029693 [0,1,0,0,0,0|1,0,2]=4 1654 B17R0.12416 C=CCCCCCCCCC(=O)/C(=C/CCC)/C 1458a_200020648666_100011933949 [0,1,0,0,0,0|1,0,1]=3 1655 B17R0.12416 C=CCCCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100011933949 [0,1,0,0,0,0|2,0,0]=3 1656 B17R0.12416 C=CCCCCCCCCC(=O)C(C)CCCC 1458a_100000211349_200011215066 [0,1,0,0,0,0|1,0,0]=2 1657 B17R0.12416 C=CCCCCCCCCC(=O)C(C)CCCC 1458a_100000725509_100011933949 [0,1,0,0,0,0|1,0,0]=2 1658 B17R0.12416 C=CCCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100011933949 [0,1,0,0,0,0|1,0,0]=2 1659 B17R0.12416 C=CCCCCCCCCC(=O)C(O)CCSC 1458a_100000685904_100011933949 [0,1,0,0,0,0|2,0,0]=3 1660 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCC#N 11a_100000184479_100000211349 [0,1,0,0,0,0|2,0,1]=4 1661 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCC#N 1626a_100000184479_100000211349 [0,1,0,0,0,0|2,0,1]=4 1662 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCC#N 240690a_100000184479_100000211349 [0,1,0,0,0,0|2,0,1]=4 1663 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCC#N 527a_100000184479_100000211349 [0,1,0,0,0,0|2,0,1]=4 1664 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCC=C 11a_100020639649_100000211349 [0,1,0,0,0,0|1,0,2]=4 1665 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCC=C 1626a_100020639649_100000211349 [0,1,0,0,0,0|1,0,2]=4 1666 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCC=C 240690a_100020639649_100000211349 [0,1,0,0,0,0|1,0,2]=4 1667 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCC=C 527a_100020639649_100000211349 [0,1,0,0,0,0|1,0,2]=4 1668 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCCC 11a_100000207549_100000211349 [0,1,0,0,0,0|1,0,0]=2 1669 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCCC 1626a_100000207549_100000211349 [0,1,0,0,0,0|1,0,0]=2 1670 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCCC 240690a_100000207549_100000211349 [0,1,0,0,0,0|1,0,0]=2 1671 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCCC 527a_100000207549_100000211349 [0,1,0,0,0,0|1,0,0]=2 1672 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCCO 240690a_100000213112_100000211349 [0,1,0,0,0,0|2,0,0]=3 1673 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCCO 527a_100000213112_100000211349 [0,1,0,0,0,0|2,0,0]=3 1674 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCOC 11a_100000743101_100000211349 [0,1,0,0,0,0|2,0,0]=3 1675 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCOC 1626a_100000743101_100000211349 [0,1,0,0,0,0|2,0,0]=3 1676 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCOC 240690a_100000743101_100000211349 [0,1,0,0,0,0|2,0,0]=3 1677 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCOC 527a_100000743101_100000211349 [0,1,0,0,0,0|2,0,0]=3 1678 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCSC 11a_100000686725_100000211349 [0,1,0,0,0,0|2,0,0]=3 1679 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCSC 1626a_100000686725_100000211349 [0,1,0,0,0,0|2,0,0]=3 1680 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCSC 240690a_100000686725_100000211349 [0,1,0,0,0,0|2,0,0]=3 1681 B17R0.12416 C=CCCCCCCCCC(=O)N(C)CCSC 527a_100000686725_100000211349 [0,1,0,0,0,0|2,0,0]=3 1682 B17R0.12416 C=CCCCCCCOCC(=O)N(C)CCCC 34a_200011216477_100000230175 [0,1,0,0,0,0|2,0,0]=3 1683 B17R0.12416 C=CCCCCCCOCC(=O)N(C)CCCC 7a_200011216477_100000230175 [0,1,0,0,0,0|2,0,0]=3 1684 B17R0.12416 C=CCCCCCCSCC(=O)N(C)CCCC 62a_100000230175_100011215473 [0,1,0,0,0,0|2,0,0]=3 1685 B17R0.12416 C=CCCCCCCSCC(=O)N(C)CCCC 62a_100011215473_100000230175 [0,1,0,0,0,0|2,0,0]=3 1686 B17R0.12416 CCCCC(C)C(=O)CCCCCCCCCF 1458a_200009909015_200011215066 [0,1,0,0,0,0|2,0,1]=4 1687 B17R0.12416 CCCCC(C)C(=O)CCCCCCCCCO 1458a_100000725509_100009813782 [0,1,0,0,0,0|2,0,1]=4 1688 B17R0.12416 CCCCC(O)C(=O)CCCCCCCCCO 1458a_100000720857_100009813782 [0,1,0,0,0,0|2,0,1]=4 1689 B17R0.12416 CCCCCCCCCCC(=O)C(C)CCCC 1458a_100000210375_200011215066 [0,1,0,0,0,0|1,0,2]=4 1690 B17R0.12416 CCCCCCCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210319 [0,1,0,0,0,0|1,0,2]=4 1691 B17R0.12416 CCCCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210319 [0,1,0,0,0,0|1,0,2]=4 1692 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCCC 11a_100000207549_100000210375 [0,1,0,0,0,0|1,0,2]=4 1693 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCCC 1626a_100000207549_100000210375 [0,1,0,0,0,0|1,0,2]=4 1694 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCCC 240690a_100000207549_100000210375 [0,1,0,0,0,0|1,0,2]=4 1695 B17R0.12416 CCCCN(C)C(=O)CCCCCCCCCF 11a_100000207549_200009909015 [0,1,0,0,0,0|2,0,1]=4 1696 B17R0.12416 CCCCN(C)C(=O)CCCCCCCCCF 240690a_100000207549_200009909015 [0,1,0,0,0,0|2,0,1]=4 1697 B17R0.12416 CCCCN(C)C(=O)CCCCCCCCCF 527a_100000207549_200009909015 [0,1,0,0,0,0|2,0,1]=4 1698 B17R0.12416 CCCCN(C)C(=O)CCCCCCCCCO 240690a_100000207549_100000032657 [0,1,0,0,0,0|2,0,1]=4 1699 B17R0.14341 C#CCCCCCCC(=O)CC(=O)OCCCC 1458a_100000034748_100000211628 [0,1,0,0,0,0|0,0,3]=4 1700 B17R0.14341 C=CCCCCCCC(=O)CC(=O)CCCCC 1458a_100011809334_200012276598 [0,1,0,0,0,0|1,0,1]=3 1701 B17R0.14341 C=CCCCCCCC(=O)CC(=O)NCCCC 1458a_100011809334_100000182744 [0,1,0,0,0,0|1,0,1]=3 1702 B17R0.14341 C=CCCCCCCC(=O)CC(=O)NCCOC 1458a_100011809334_100000183275 [0,1,0,0,0,0|2,0,1]=4 1703 B17R0.14341 C=CCCCCCCC(=O)CC(=O)OCCCC 1458a_100011809334_100000211628 [0,1,0,0,0,0|0,0,1]=2 1704 B17R0.14341 C=CCCCCCCC(=O)CC(=O)OCCOC 1458a_100011809334_200000040189 [0,1,0,0,0,0|1,0,1]=3 1705 B17R0.14341 C=CCCCCCCN(C)CC(=O)NCCCC 2230a_200000213093_100011215473 [0,1,0,0,0,0|2,0,0]=3 1706 B17R0.14341 C=CCCCCCCN(C)CC(=O)NCCCC 269982a_200000213093_100011215473 [0,1,0,0,0,0|2,0,0]=3 1707 B17R0.14341 C=CCCCCCCN(C)CC(=O)NCCOC 2230a_100020672463_100011215473 [0,1,0,0,0,0|3,0,0]=4 1708 B17R0.14341 C=CCCCCCCN(C)CC(=O)NCCOC 269982a_100020672463_100011215473 [0,1,0,0,0,0|3,0,0]=4 1709 B17R0.14341 CCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000210188_100000211628 [0,1,0,0,0,0|0,0,3]=4 1710 B17R0.14341 CCCCCCCCN(C)CC(=O)OCCCC 2230a_100000207567_100000211628 [0,1,0,0,0,0|1,0,2]=4 1711 B17R0.14341 CCCCCCCCN(C)CC(=O)OCCCC 269982a_100000207567_100000211628 [0,1,0,0,0,0|1,0,2]=4 1712 B17R0.14341 CCCCOC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000211628 [0,1,0,0,0,0|1,0,2]=4 1713 B17R1.716 C=CCCCCCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100011933949 [0,0,0,1,0,0|3,0,0]=4 1714 B17R1.716 C=CCCCCCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100011933949 [0,0,0,1,0,0|3,0,0]=4 1715 B17R1.716 C=CCCCCCCCCN1CCC[C@@H](C1)C 34a_100000717927_100011933949 [0,0,0,1,0,0|3,0,0]=4 1716 B17R1.1261 C=CCCCCCCNC1CCCCNC1=O 2230a_100000698827_100011215473 [0,0,0,1,0,0|2,0,0]=3 1717 B17R1.1261 C=CCCCCCCNC1CCCCNC1=O 34a_100000698827_100011215473 [0,0,0,1,0,0|2,0,0]=3 1718 B17R1.1261 C=CCCCCCCOC1CCCCCC1=O 7a_200011216477_100000243696 [0,0,0,1,0,0|2,0,0]=3 1719 B17R1.1261 C=CCCCCCCOC1CCCCNC1=O 7a_200011216477_100000735217 [0,0,0,1,0,0|2,0,0]=3 1720 B17R1.1261 C=CCCCCCCSC1CCCCCC1=O 62a_100000243696_100011215473 [0,0,0,1,0,0|2,0,0]=3 1721 B17R1.1261 C=CCCCCCCSC1CCCCCC1=O 62a_100011215473_100000243696 [0,0,0,1,0,0|2,0,0]=3 1722 B17R1.1261 C=CCCCCCCSC1CCCCNC1=O 62a_100000735217_100011215473 [0,0,0,1,0,0|2,0,0]=3 1723 B17R1.1261 C=CCCCCCCSC1CCCCNC1=O 62a_100011215473_100000735217 [0,0,0,1,0,0|2,0,0]=3 1724 B17R1.1261 C=CCCCNCCCN1CCCCCC1=O 2230a_100000195386_100011713584 [0,0,0,1,0,0|3,0,0]=4 1725 B17R1.1261 C=CCCCNCCCN1CCCCCC1=O 34a_100000195386_100000757094 [0,0,0,1,0,0|3,0,0]=4 1726 B17R1.1308 C#CCCCCCCCCC(=O)C1CCCC1 1458a_100000029693_100000179811 [0,0,0,1,0,0|1,0,2]=4 1727 B17R1.1308 C#CCCCCCCCCC(=O)N1CCCC1 240690a_100000188435_100000029693 [0,0,0,1,0,0|1,0,2]=4 1728 B17R1.1308 C#CCCCCCCCCC(=O)N1CCCC1 527a_100000188435_100000029693 [0,0,0,1,0,0|1,0,2]=4 1729 B17R1.1308 C=CCCCCCCCCC(=O)C1=CCCC1 1458a_100000038896_100011933949 [0,0,0,1,0,0|1,0,1]=3 1730 B17R1.1308 C=CCCCCCCCCC(=O)C1=CCOC1 1458a_100000139269_100011933949 [0,0,0,1,0,0|2,0,1]=4 1731 B17R1.1308 C=CCCCCCCCCC(=O)C1=COCC1 1458a_100000750620_100011933949 [0,0,0,1,0,0|2,0,1]=4 1732 B17R1.1308 C=CCCCCCCCCC(=O)C1CC=CC1 1458a_100000759439_100011933949 [0,0,0,1,0,0|1,0,2]=4 1733 B17R1.1308 C=CCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100011933949 [0,0,0,1,0,0|1,0,0]=2 1734 B17R1.1308 C=CCCCCCCCCC(=O)C1CCCC1 1458a_100000211349_100000179811 [0,0,0,1,0,0|1,0,0]=2 1735 B17R1.1308 C=CCCCCCCCCC(=O)C1CCCS1 1458a_100012002731_100011933949 [0,0,0,1,0,0|2,0,0]=3 1736 B17R1.1308 C=CCCCCCCCCC(=O)C1CCOC1 1458a_100000211349_100000690089 [0,0,0,1,0,0|2,0,0]=3 1737 B17R1.1308 C=CCCCCCCCCC(=O)C1CCOC1 1458a_100011219752_100011933949 [0,0,0,1,0,0|2,0,0]=3 1738 B17R1.1308 C=CCCCCCCCCC(=O)N1CC=CC1 1626a_100015195280_100000211349 [0,0,0,1,0,0|1,0,2]=4 1739 B17R1.1308 C=CCCCCCCCCC(=O)N1CC=CC1 240690a_100015195280_100000211349 [0,0,0,1,0,0|1,0,2]=4 1740 B17R1.1308 C=CCCCCCCCCC(=O)N1CCCC1 240690a_100000188435_100000211349 [0,0,0,1,0,0|1,0,0]=2 1741 B17R1.1308 C=CCCCCCCCCC(=O)N1CCCC1 527a_100000188435_100000211349 [0,0,0,1,0,0|1,0,0]=2 1742 B17R1.1308 C=CCCCCCCCCC(=O)N1CCSC1 11a_100011215254_100000211349 [0,0,0,1,0,0|2,0,0]=3 1743 B17R1.1308 C=CCCCCCCCCC(=O)N1CCSC1 240690a_100011215254_100000211349 [0,0,0,1,0,0|2,0,0]=3 1744 B17R1.1308 C=CCCCCCCCCC(=O)N1CCSC1 527a_100011215254_100000211349 [0,0,0,1,0,0|2,0,0]=3 1745 B17R1.1308 C=CCCCCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011933949 [0,0,0,1,0,0|2,0,0]=3 1746 B17R1.1308 C=CCCCCCCCCN(C)C1CCCC1 2230a_100000207505_100011933949 [0,0,0,1,0,0|3,0,0]=4 1747 B17R1.1308 C=CCCCCCCCCN(C)C1CCCC1 269982a_100000207505_100011933949 [0,0,0,1,0,0|3,0,0]=4 1748 B17R1.1308 C=CCCCCCCCCN(C)C1CCCC1 34a_100000207505_100011933949 [0,0,0,1,0,0|3,0,0]=4 1749 B17R1.1308 C=CCCCCCCNCC(=O)N1CCCC1 2230a_100000751844_100011215473 [0,0,0,1,0,0|2,0,0]=3 1750 B17R1.1308 C=CCCCCCCOCC(=O)N1CCCC1 34a_200011216477_100000183516 [0,0,0,1,0,0|2,0,0]=3 1751 B17R1.1308 C=CCCCCCCOCC(=O)N1CCCC1 7a_200000752455_100011215473 [0,0,0,1,0,0|2,0,0]=3 1752 B17R1.1308 C=CCCCCCCOCC(=O)N1CCCC1 7a_200011216477_100000183516 [0,0,0,1,0,0|2,0,0]=3 1753 B17R1.1308 C=CCCCCCCSCC(=O)N1CCCC1 62a_100000183516_100011215473 [0,0,0,1,0,0|2,0,0]=3 1754 B17R1.1308 C=CCCCCCCSCC(=O)N1CCCC1 62a_100011215473_100000183516 [0,0,0,1,0,0|2,0,0]=3 1755 B17R1.1308 C=CCCCCCOCCC(=O)N1CCCC1 34a_100011216702_100011194422 [0,0,0,1,0,0|2,0,0]=3 1756 B17R1.1308 C=CCCCCCOCCC(=O)N1CCCC1 7a_100011216702_100011194422 [0,0,0,1,0,0|2,0,0]=3 1757 B17R1.1308 C=CCCCCCSCCC(=O)N1CCCC1 62a_100000700193_100011194422 [0,0,0,1,0,0|2,0,0]=3 1758 B17R1.1308 C=CCCCCCSCCC(=O)N1CCCC1 62a_100011194422_100000700193 [0,0,0,1,0,0|2,0,0]=3 1759 B17R1.1308 C=COCCCCOCCC(=O)N1CCCC1 34a_100000031558_100011194422 [0,0,0,1,0,0|3,0,0]=4 1760 B17R1.1308 C=COCCCCOCCC(=O)N1CCCC1 7a_100000031558_100011194422 [0,0,0,1,0,0|3,0,0]=4 1761 B17R1.1308 CCCCCCCCCCC(=O)C1CCCC1 1458a_100000210375_100000179811 [0,0,0,1,0,0|1,0,2]=4 1762 B17R1.1308 CCCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100000210319 [0,0,0,1,0,0|1,0,2]=4 1763 B17R1.1308 CCCCCCCCCCC(=O)N1CCCC1 240690a_100000188435_100000210375 [0,0,0,1,0,0|1,0,2]=4 1764 B17R1.1308 O=C(CCCCCCCCCF)C1CCCC1 1458a_200009909015_100000179811 [0,0,0,1,0,0|2,0,1]=4 1765 B17R1.1308 O=C(CCCCCCCCCF)N1CCCC1 240690a_100000188435_200009909015 [0,0,0,1,0,0|2,0,1]=4 1766 B17R1.1308 O=C(CCCCCCCCCF)N1CCCC1 527a_100000188435_200009909015 [0,0,0,1,0,0|2,0,1]=4 1767 B17R1.1308 O=C(CCCCCCCCCO)C1CCCC1 1458a_100000210718_100009813782 [0,0,0,1,0,0|2,0,1]=4 1768 B17R1.1308 O=C(CCCCCCCCCO)N1CCCC1 240690a_100000188435_100000032657 [0,0,0,1,0,0|2,0,1]=4 1769 B17R1.1308 O=CCCCCCSCCC(=O)N1CCCC1 62a_100000139337_100011194422 [0,0,0,1,0,0|3,0,0]=4 1770 B17R1.1308 O=CCCCCCSCCC(=O)N1CCCC1 62a_100011194422_100000139337 [0,0,0,1,0,0|3,0,0]=4 1771 B17R1.1842 CCCCCC(=O)CCN1CCCCCC1=O 1458a_200011207554_100000210326 [0,0,0,1,0,0|3,0,0]=4 1772 B17R1.1842 CCCCCC(=O)CSC1CCCCCC1=O 62a_100000243696_200012276598 [0,0,0,1,0,0|3,0,0]=4 1773 B17R1.1842 CCCCCC(=O)CSC1CCCCCC1=O 62a_200012276598_100000243696 [0,0,0,1,0,0|3,0,0]=4 1774 B17R1.1842 CCCCNC(=O)CCN1CCCCCC1=O 11a_100000102301_200011207554 [0,0,0,1,0,0|3,0,0]=4 1775 B17R1.1842 CCCCNC(=O)CCN1CCCCCC1=O 1626a_100000102301_200011207554 [0,0,0,1,0,0|3,0,0]=4 1776 B17R1.1842 CCCCNC(=O)CCN1CCCCCC1=O 240690a_100000102301_200011207554 [0,0,0,1,0,0|3,0,0]=4 1777 B17R1.1842 CCCCNC(=O)CCN1CCCCCC1=O 527a_100000102301_200011207554 [0,0,0,1,0,0|3,0,0]=4 1778 B17R1.1842 CCCCNC(=O)CSC1CCCCCC1=O 62a_100000182744_100000243696 [0,0,0,1,0,0|3,0,0]=4 1779 B17R1.1842 CCCCNC(=O)CSC1CCCCCC1=O 62a_100000243696_100000182744 [0,0,0,1,0,0|3,0,0]=4 1780 B17R1.1842 CCCCOC(=O)CNC1CCCCNC1=O 2230a_100000698827_100000211628 [0,0,0,1,0,0|3,0,0]=4 1781 B17R1.1842 CCCCOC(=O)CNC1CCCCNC1=O 34a_100000698827_100000211628 [0,0,0,1,0,0|3,0,0]=4 1782 B17R1.1842 CCCCOC(=O)CSC1CCCCCC1=O 62a_100000211628_100000243696 [0,0,0,1,0,0|2,0,0]=3 1783 B17R1.1842 CCCCOC(=O)CSC1CCCCCC1=O 62a_100000243696_100000211628 [0,0,0,1,0,0|2,0,0]=3 1784 B17R1.1842 CCCCOC(=O)CSC1CCCCNC1=O 62a_100000211628_100000735217 [0,0,0,1,0,0|3,0,0]=4 1785 B17R1.1842 CCCCOC(=O)CSC1CCCCNC1=O 62a_100000735217_100000211628 [0,0,0,1,0,0|3,0,0]=4 1786 B17R1.1842 COCCOC(=O)CSC1CCCCCC1=O 62a_100000243696_200000040189 [0,0,0,1,0,0|3,0,0]=4 1787 B17R1.1842 COCCOC(=O)CSC1CCCCCC1=O 62a_200000040189_100000243696 [0,0,0,1,0,0|3,0,0]=4 1788 B17R1.1843 CCCCOC(=O)CNC1CCCCC1OC 34a_100011208099_100000211628 [0,0,0,1,0,0|2,0,1]=4 1789 B17R1.1843 CCCCOC(=O)COC1CCCCC1CC 34a_100000210738_100000211628 [0,0,0,1,0,0|1,0,2]=4 1790 B17R1.1843 CCCCOC(=O)COC1CCCCC1CC 7a_100000210738_100000211628 [0,0,0,1,0,0|1,0,2]=4 1791 B17R1.1843 CCCCOC(=O)COC1CCCCC1CN 34a_100011216029_100000211628 [0,0,0,1,0,0|2,0,1]=4 1792 B17R1.1843 CCCCOC(=O)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000211628 [0,0,0,1,0,0|2,0,1]=4 1793 B17R1.1843 CCCCOC(=O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000211628 [0,0,0,1,0,0|2,0,1]=4 1794 B17R1.1843 CCCCOC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000211628 [0,0,0,1,0,0|2,0,1]=4 1795 B17R1.1854 CCCCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000210326 [0,0,0,1,0,0|1,0,2]=4 1796 B17R1.1854 CCCCNC(=O)CCCCC1CCCCC1 11a_100000102301_200011215547 [0,0,0,1,0,0|1,0,2]=4 1797 B17R1.1854 CCCCNC(=O)CCCCC1CCCCC1 1626a_100000102301_200011215547 [0,0,0,1,0,0|1,0,2]=4 1798 B17R1.1854 CCCCNC(=O)CCCCC1CCCCC1 240690a_100000102301_200011215547 [0,0,0,1,0,0|1,0,2]=4 1799 B17R1.1854 CCCCNC(=O)CCCCC1CCCCC1 527a_100000102301_200011215547 [0,0,0,1,0,0|1,0,2]=4 1800 B17R1.1854 CCCCOC(=O)CNCCC1=CCCCC1 2230a_100000212019_100000211628 [0,0,0,1,0,0|1,0,2]=4 1801 B17R1.1854 CCCCOC(=O)CNCCC1=CCCCC1 34a_100000212019_100000211628 [0,0,0,1,0,0|1,0,2]=4 1802 B17R1.1854 CCCCOC(=O)CNCCC1CCCCC1 2230a_100000738074_100000211628 [0,0,0,1,0,0|1,0,2]=4 1803 B17R1.1854 CCCCOC(=O)CNCCC1CCCCC1 34a_100000738074_100000211628 [0,0,0,1,0,0|1,0,2]=4 1804 B17R1.1854 CCCCOC(=O)CNCCC1CCCCO1 2230a_100015183643_100000211628 [0,0,0,1,0,0|2,0,1]=4 1805 B17R1.1854 CCCCOC(=O)CNCCC1CCCCO1 34a_100015183643_100000211628 [0,0,0,1,0,0|2,0,1]=4 1806 B17R1.1854 CCCCOC(=O)COCCC1CCCCC1 34a_100011217863_100000211628 [0,0,0,1,0,0|1,0,2]=4 1807 B17R1.1854 CCCCOC(=O)COCCC1CCCCC1 7a_100011217863_100000211628 [0,0,0,1,0,0|1,0,2]=4 1808 B17R1.1854 CCCCOC(=O)COCCC1CCCCN1 34a_100000211664_100000211628 [0,0,0,1,0,0|2,0,1]=4 1809 B17R1.1854 CCCCOC(=O)COCCC1CCCNC1 34a_100000752241_100000211628 [0,0,0,1,0,0|2,0,1]=4 1810 B17R1.1854 CCCCOC(=O)CSCCC1CCCCC1 62a_100000211628_100012355289 [0,0,0,1,0,0|1,0,2]=4 1811 B17R1.1854 CCCCOC(=O)CSCCC1CCCCC1 62a_100012355289_100000211628 [0,0,0,1,0,0|1,0,2]=4 1812 B17R1.1873 CCCCOC(=O)CNCCCC1CCCC1 2230a_100000736752_100000211628 [0,0,0,1,0,0|1,0,2]=4 1813 B17R1.1873 CCCCOC(=O)CNCCCC1CCCC1 34a_100000736752_100000211628 [0,0,0,1,0,0|1,0,2]=4 1814 B17R1.1873 CCCCOC(=O)COCCCC1CCCC1 34a_100011215328_100000211628 [0,0,0,1,0,0|1,0,2]=4 1815 B17R1.1873 CCCCOC(=O)COCCCC1CCCC1 7a_100011215328_100000211628 [0,0,0,1,0,0|1,0,2]=4 1816 B17R1.1873 CCCCOC(=O)CSCCCC1CCCC1 62a_100000211628_100011713738 [0,0,0,1,0,0|1,0,2]=4 1817 B17R1.1873 CCCCOC(=O)CSCCCC1CCCC1 62a_100011713738_100000211628 [0,0,0,1,0,0|1,0,2]=4 1818 B17R1.3300 CCCCCC(=O)COC1C=CCCCCC1 34a_100000688657_200012276598 [0,0,0,1,0,0|2,0,0]=3 1819 B17R1.3300 CCCCNC(=O)COC1C=CCCCCC1 34a_100000688657_100000182744 [0,0,0,1,0,0|2,0,0]=3 1820 B17R1.3300 CCCCOC(=O)CNC1CCCCCCC1 2230a_100000211152_100000211628 [0,0,0,1,0,0|1,0,2]=4 1821 B17R1.3300 CCCCOC(=O)CNC1CCCCCCC1 34a_100000211152_100000211628 [0,0,0,1,0,0|1,0,2]=4 1822 B17R1.3300 CCCCOC(=O)COC1C=CCCCCC1 34a_100000688657_100000211628 [0,0,0,1,0,0|1,0,0]=2 1823 B17R1.3300 CCCCOC(=O)COC1CCCCCCC1 34a_100000210054_100000211628 [0,0,0,1,0,0|1,0,2]=4 1824 B17R1.3300 CCCCOC(=O)COC1CCCCCCC1 7a_100000210054_100000211628 [0,0,0,1,0,0|1,0,2]=4 1825 B17R1.3300 COCCNC(=O)COC1C=CCCCCC1 34a_100000688657_100000183275 [0,0,0,1,0,0|3,0,0]=4 1826 B17R1.3300 COCCOC(=O)COC1C=CCCCCC1 34a_100000688657_200000040189 [0,0,0,1,0,0|2,0,0]=3 1827 B17R1.3499 CCCCOC(=O)CNCC1CCCCCC1 2230a_100015204231_100000211628 [0,0,0,1,0,0|1,0,2]=4 1828 B17R1.3499 CCCCOC(=O)CNCC1CCCCCC1 34a_100015204231_100000211628 [0,0,0,1,0,0|1,0,2]=4 1829 B17R1.3499 CCCCOC(=O)COCC1CCCCCC1 34a_100000699130_100000211628 [0,0,0,1,0,0|1,0,2]=4 1830 B17R1.3499 CCCCOC(=O)COCC1CCCCCC1 7a_100000699130_100000211628 [0,0,0,1,0,0|1,0,2]=4 1831 B17R1.3499 CCCCOC(=O)CSCC1CCCCCC1 62a_100000211628_200000696569 [0,0,0,1,0,0|1,0,2]=4 1832 B17R1.3499 CCCCOC(=O)CSCC1CCCCCC1 62a_200000696569_100000211628 [0,0,0,1,0,0|1,0,2]=4 1833 B17R1.3711 CCCCOC(=O)CN1CCCCC1CC#N 2230a_100000133382_100000211628 [0,0,0,1,0,0|2,0,1]=4 1834 B17R1.3711 CCCCOC(=O)CN1CCCCC1CC#N 34a_100000133382_100000211628 [0,0,0,1,0,0|2,0,1]=4 1835 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCC 2230a_100000701414_100000211628 [0,0,0,1,0,0|1,0,2]=4 1836 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCC 269982a_100000701414_100000211628 [0,0,0,1,0,0|1,0,2]=4 1837 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCC 34a_100000701414_100000211628 [0,0,0,1,0,0|1,0,2]=4 1838 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCO 2230a_100000211664_100000211628 [0,0,0,1,0,0|2,0,1]=4 1839 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCO 269982a_100000211664_100000211628 [0,0,0,1,0,0|2,0,1]=4 1840 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCO 34a_100000211664_100000211628 [0,0,0,1,0,0|2,0,1]=4 1841 B17R1.3711 CCCCOC(=O)CN1CCCCC1COC 2230a_100015184032_100000211628 [0,0,0,1,0,0|2,0,1]=4 1842 B17R1.3711 CCCCOC(=O)CN1CCCCC1COC 269982a_100015184032_100000211628 [0,0,0,1,0,0|2,0,1]=4 1843 B17R1.3711 CCCCOC(=O)CN1CCCCC1COC 34a_100015184032_100000211628 [0,0,0,1,0,0|2,0,1]=4 1844 B17R1.3714 CCCCOC(=O)CN1CCCCCCCC1 2230a_100000039187_100000211628 [0,0,0,1,0,0|1,0,2]=4 1845 B17R1.3714 CCCCOC(=O)CN1CCCCCCCC1 269982a_100000039187_100000211628 [0,0,0,1,0,0|1,0,2]=4 1846 B17R1.3714 CCCCOC(=O)CN1CCCCCCCC1 34a_100000039187_100000211628 [0,0,0,1,0,0|1,0,2]=4 1847 B17R1.6340 CCCCOC(=O)CNCCN1CCCC1=O 2230a_100011200922_100000211628 [0,0,0,1,0,0|3,0,0]=4 1848 B17R1.6340 CCCCOC(=O)COCCC1CCCN1C 34a_100011215177_100000211628 [0,0,0,1,0,0|2,0,1]=4 1849 B17R1.6340 CCCCOC(=O)COCCC1CCCN1C 7a_100011215177_100000211628 [0,0,0,1,0,0|2,0,1]=4 1850 B17R1.6340 CCCCOC(=O)COCCN1CCCC1=O 34a_100000211209_100000211628 [0,0,0,1,0,0|3,0,0]=4 1851 B17R1.6340 CCCCOC(=O)COCCN1CCCC1=O 7a_100000211209_100000211628 [0,0,0,1,0,0|3,0,0]=4 1852 B17R1.6340 CCCCOC(=O)CSCCC1CCCN1C 62a_100000005710_100000211628 [0,0,0,1,0,0|2,0,1]=4 1853 B17R1.6340 CCCCOC(=O)CSCCC1CCCN1C 62a_100000211628_100000005710 [0,0,0,1,0,0|2,0,1]=4 1854 B17R1.6340 CCCCOC(=O)CSCCN1CCCC1=O 62a_100000211628_100000739059 [0,0,0,1,0,0|3,0,0]=4 1855 B17R1.6340 CCCCOC(=O)CSCCN1CCCC1=O 62a_100000739059_100000211628 [0,0,0,1,0,0|3,0,0]=4 1856 B17R1.8944 CCCCCC(=O)CCCN1CCCCC1=O 1458a_100011236284_100000210326 [0,0,0,1,0,0|3,0,0]=4 1857 B17R1.8944 CCCCCC(=O)COCC1CCCCC1=O 34a_100009861125_200012276598 [0,0,0,1,0,0|3,0,0]=4 1858 B17R1.8944 CCCCCC(=O)COCC1CCCCC1=O 7a_100009861125_200012276598 [0,0,0,1,0,0|3,0,0]=4 1859 B17R1.8944 CCCCNC(=O)CCCN1CCCCC1=O 11a_100000102301_100011236284 [0,0,0,1,0,0|3,0,0]=4 1860 B17R1.8944 CCCCNC(=O)CCCN1CCCCC1=O 1626a_100000102301_100011236284 [0,0,0,1,0,0|3,0,0]=4 1861 B17R1.8944 CCCCNC(=O)CCCN1CCCCC1=O 240690a_100000102301_100011236284 [0,0,0,1,0,0|3,0,0]=4 1862 B17R1.8944 CCCCNC(=O)CCCN1CCCCC1=O 527a_100000102301_100011236284 [0,0,0,1,0,0|3,0,0]=4 1863 B17R1.8944 CCCCNC(=O)COCC1CCCCC1=O 34a_100009861125_100000182744 [0,0,0,1,0,0|3,0,0]=4 1864 B17R1.8944 CCCCNC(=O)COCC1CCCCC1=O 7a_100009861125_100000182744 [0,0,0,1,0,0|3,0,0]=4 1865 B17R1.8944 CCCCOC(=O)CNCC1CCCCC1O 34a_100011216029_100000211628 [0,0,0,1,0,0|2,0,1]=4 1866 B17R1.8944 CCCCOC(=O)CNCC1CCCCN1C 34a_100011228421_100000211628 [0,0,0,1,0,0|2,0,1]=4 1867 B17R1.8944 CCCCOC(=O)COCC1CCCCC1=O 34a_100009861125_100000211628 [0,0,0,1,0,0|2,0,0]=3 1868 B17R1.8944 CCCCOC(=O)COCC1CCCCC1=O 7a_100009861125_100000211628 [0,0,0,1,0,0|2,0,0]=3 1869 B17R1.8944 CCCCOC(=O)COCC1CCCCN1C 34a_100000225079_100000211628 [0,0,0,1,0,0|2,0,1]=4 1870 B17R1.8944 CCCCOC(=O)CSCC1CCCCN1C 62a_100000211628_100015185383 [0,0,0,1,0,0|2,0,1]=4 1871 B17R1.8944 CCCCOC(=O)CSCC1CCCCN1C 62a_100015185383_100000211628 [0,0,0,1,0,0|2,0,1]=4 1872 B17R1.8944 COCCOC(=O)COCC1CCCCC1=O 34a_100009861125_200000040189 [0,0,0,1,0,0|3,0,0]=4 1873 B17R1.8944 COCCOC(=O)COCC1CCCCC1=O 7a_100009861125_200000040189 [0,0,0,1,0,0|3,0,0]=4 1874 B17R1.26143 C=CCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100011933949 [0,0,0,1,0,0|1,0,0]=2 1875 B17R1.26143 C=CCCCCCCCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100011933949 [0,0,0,1,0,0|2,0,1]=4 1876 B17R1.26143 CCC1CC1C(=O)CCCCCCCCCO 1458a_200011661523_100009813782 [0,0,0,1,0,0|2,0,1]=4 1877 B17R1.26143 CCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100000210319 [0,0,0,1,0,0|1,0,2]=4 1878 B17R1.26144 C=CCCCCCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211349 [0,0,0,1,0,0|2,0,0]=3 1879 B17R1.26144 C=CCCCCCCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211349 [0,0,0,1,0,0|2,0,0]=3 1880 B17R1.26144 C=CCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211349 [0,0,0,1,0,0|2,0,0]=3 1881 B17R1.26144 C=CCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211349 [0,0,0,1,0,0|2,0,0]=3 1882 B17R1.26144 C=CCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211349 [0,0,0,1,0,0|2,0,0]=3 1883 B17R1.26144 C=CCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211349 [0,0,0,1,0,0|2,0,0]=3 1884 B17R1.26145 C#CCCCCCCCCC(=O)CC1CCC1 1458a_100000029693_100000763275 [0,0,0,1,0,0|1,0,2]=4 1885 B17R1.26145 C#CCCCCCCCCC(=O)NC1CCC1 11a_100000749019_100000029693 [0,0,0,1,0,0|1,0,2]=4 1886 B17R1.26145 C#CCCCCCCCCC(=O)NC1CCC1 1626a_100000749019_100000029693 [0,0,0,1,0,0|1,0,2]=4 1887 B17R1.26145 C#CCCCCCCCCC(=O)NC1CCC1 240690a_100000749019_100000029693 [0,0,0,1,0,0|1,0,2]=4 1888 B17R1.26145 C#CCCCCCCCCC(=O)NC1CCC1 527a_100000749019_100000029693 [0,0,0,1,0,0|1,0,2]=4 1889 B17R1.26145 C=CCCCCCCCCC(=O)C=C1CCC1 1458a_100000686340_100011933949 [0,0,0,1,0,0|1,0,1]=3 1890 B17R1.26145 C=CCCCCCCCCC(=O)CC1CCC1 1458a_100000211349_100000763275 [0,0,0,1,0,0|1,0,0]=2 1891 B17R1.26145 C=CCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100011933949 [0,0,0,1,0,0|1,0,0]=2 1892 B17R1.26145 C=CCCCCCCCCC(=O)CC1CCO1 1458a_100000211349_100000103362 [0,0,0,1,0,0|2,0,0]=3 1893 B17R1.26145 C=CCCCCCCCCC(=O)CC1COC1 1458a_100000211349_100010264016 [0,0,0,1,0,0|2,0,0]=3 1894 B17R1.26145 C=CCCCCCCCCC(=O)CC1COC1 1458a_100000687760_100011933949 [0,0,0,1,0,0|2,0,0]=3 1895 B17R1.26145 C=CCCCCCCCCC(=O)NC1CCC1 11a_100000749019_100000211349 [0,0,0,1,0,0|1,0,0]=2 1896 B17R1.26145 C=CCCCCCCCCC(=O)NC1CCC1 1626a_100000749019_100000211349 [0,0,0,1,0,0|1,0,0]=2 1897 B17R1.26145 C=CCCCCCCCCC(=O)NC1CCC1 240690a_100000749019_100000211349 [0,0,0,1,0,0|1,0,0]=2 1898 B17R1.26145 C=CCCCCCCCCC(=O)NC1CCC1 527a_100000749019_100000211349 [0,0,0,1,0,0|1,0,0]=2 1899 B17R1.26145 C=CCCCCCCCCC(=O)NC1COC1 11a_100016991112_100000211349 [0,0,0,1,0,0|2,0,0]=3 1900 B17R1.26145 C=CCCCCCCCCC(=O)NC1COC1 1626a_100016991112_100000211349 [0,0,0,1,0,0|2,0,0]=3 1901 B17R1.26145 C=CCCCCCCCCC(=O)NC1COC1 240690a_100016991112_100000211349 [0,0,0,1,0,0|2,0,0]=3 1902 B17R1.26145 C=CCCCCCCCCC(=O)NC1COC1 527a_100016991112_100000211349 [0,0,0,1,0,0|2,0,0]=3 1903 B17R1.26145 C=CCCCCCCCCC(=O)NC1CSC1 11a_100016994217_100000211349 [0,0,0,1,0,0|2,0,0]=3 1904 B17R1.26145 C=CCCCCCCCCC(=O)NC1CSC1 1626a_100016994217_100000211349 [0,0,0,1,0,0|2,0,0]=3 1905 B17R1.26145 C=CCCCCCCCCC(=O)NC1CSC1 240690a_100016994217_100000211349 [0,0,0,1,0,0|2,0,0]=3 1906 B17R1.26145 C=CCCCCCCCCC(=O)NC1CSC1 527a_100016994217_100000211349 [0,0,0,1,0,0|2,0,0]=3 1907 B17R1.26145 C=CCCCCCCCCN(C)CC1CCC1 2230a_200000750244_100011933949 [0,0,0,1,0,0|3,0,0]=4 1908 B17R1.26145 C=CCCCCCCCCN(C)CC1CCC1 269982a_200000750244_100011933949 [0,0,0,1,0,0|3,0,0]=4 1909 B17R1.26145 C=CCCCCCCCCN(C)CC1CCC1 34a_200000750244_100011933949 [0,0,0,1,0,0|3,0,0]=4 1910 B17R1.26145 CCCCCCCCCCC(=O)CC1CCC1 1458a_100000210375_100000763275 [0,0,0,1,0,0|1,0,2]=4 1911 B17R1.26145 CCCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100000210319 [0,0,0,1,0,0|1,0,2]=4 1912 B17R1.26145 CCCCCCCCCCC(=O)NC1CCC1 11a_100000749019_100000210375 [0,0,0,1,0,0|1,0,2]=4 1913 B17R1.26145 CCCCCCCCCCC(=O)NC1CCC1 1626a_100000749019_100000210375 [0,0,0,1,0,0|1,0,2]=4 1914 B17R1.26145 CCCCCCCCCCC(=O)NC1CCC1 240690a_100000749019_100000210375 [0,0,0,1,0,0|1,0,2]=4 1915 B17R1.26145 O=C(CCCCCCCCCF)CC1CCC1 1458a_200009909015_100000763275 [0,0,0,1,0,0|2,0,1]=4 1916 B17R1.26145 O=C(CCCCCCCCCF)NC1CCC1 11a_100000749019_200009909015 [0,0,0,1,0,0|2,0,1]=4 1917 B17R1.26145 O=C(CCCCCCCCCF)NC1CCC1 240690a_100000749019_200009909015 [0,0,0,1,0,0|2,0,1]=4 1918 B17R1.26145 O=C(CCCCCCCCCF)NC1CCC1 527a_100000749019_200009909015 [0,0,0,1,0,0|2,0,1]=4 1919 B17R1.26145 O=C(CCCCCCCCCO)CC1CCC1 1458a_100000763092_100009813782 [0,0,0,1,0,0|2,0,1]=4 1920 B17R1.26145 O=C(CCCCCCCCCO)NC1CCC1 240690a_100000749019_100000032657 [0,0,0,1,0,0|2,0,1]=4 1921 B17R1.26146 C#CCCCCCCCCC(=O)CCC1CC1 1458a_100000029693_100000694398 [0,0,0,1,0,0|1,0,2]=4 1922 B17R1.26146 C#CCCCCCCCCC(=O)NCC1CC1 11a_100000735609_100000029693 [0,0,0,1,0,0|1,0,2]=4 1923 B17R1.26146 C#CCCCCCCCCC(=O)NCC1CC1 1626a_100000735609_100000029693 [0,0,0,1,0,0|1,0,2]=4 1924 B17R1.26146 C#CCCCCCCCCC(=O)NCC1CC1 240690a_100000735609_100000029693 [0,0,0,1,0,0|1,0,2]=4 1925 B17R1.26146 C#CCCCCCCCCC(=O)NCC1CC1 527a_100000735609_100000029693 [0,0,0,1,0,0|1,0,2]=4 1926 B17R1.26146 C=CCCCCCCCCC(=O)C=CC1CC1 1458a_100102529529_100011933949 [0,0,0,1,0,0|1,0,1]=3 1927 B17R1.26146 C=CCCCCCCCCC(=O)CCC1CC1 1458a_100000211349_100000694398 [0,0,0,1,0,0|1,0,0]=2 1928 B17R1.26146 C=CCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100011933949 [0,0,0,1,0,0|1,0,0]=2 1929 B17R1.26146 C=CCCCCCCCCC(=O)CCC1CO1 1458a_100000211349_100000732470 [0,0,0,1,0,0|2,0,0]=3 1930 B17R1.26146 C=CCCCCCCCCC(=O)NCC1CC1 11a_100000735609_100000211349 [0,0,0,1,0,0|1,0,0]=2 1931 B17R1.26146 C=CCCCCCCCCC(=O)NCC1CC1 1626a_100000735609_100000211349 [0,0,0,1,0,0|1,0,0]=2 1932 B17R1.26146 C=CCCCCCCCCC(=O)NCC1CC1 240690a_100000735609_100000211349 [0,0,0,1,0,0|1,0,0]=2 1933 B17R1.26146 C=CCCCCCCCCC(=O)NCC1CC1 527a_100000735609_100000211349 [0,0,0,1,0,0|1,0,0]=2 1934 B17R1.26146 C=CCCCCCCCCC(=O)NNC1CC1 22a_100000701032_100000211349 [0,0,0,1,0,0|2,0,0]=3 1935 B17R1.26146 CCCCCCCCCCC(=O)CCC1CC1 1458a_100000210375_100000694398 [0,0,0,1,0,0|1,0,2]=4 1936 B17R1.26146 CCCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100000210319 [0,0,0,1,0,0|1,0,2]=4 1937 B17R1.26146 CCCCCCCCCCC(=O)NCC1CC1 11a_100000735609_100000210375 [0,0,0,1,0,0|1,0,2]=4 1938 B17R1.26146 CCCCCCCCCCC(=O)NCC1CC1 1626a_100000735609_100000210375 [0,0,0,1,0,0|1,0,2]=4 1939 B17R1.26146 CCCCCCCCCCC(=O)NCC1CC1 240690a_100000735609_100000210375 [0,0,0,1,0,0|1,0,2]=4 1940 B17R1.26146 O=C(CCCCCCCCCF)CCC1CC1 1458a_200009909015_100000694398 [0,0,0,1,0,0|2,0,1]=4 1941 B17R1.26146 O=C(CCCCCCCCCF)NCC1CC1 11a_100000735609_200009909015 [0,0,0,1,0,0|2,0,1]=4 1942 B17R1.26146 O=C(CCCCCCCCCF)NCC1CC1 240690a_100000735609_200009909015 [0,0,0,1,0,0|2,0,1]=4 1943 B17R1.26146 O=C(CCCCCCCCCF)NCC1CC1 527a_100000735609_200009909015 [0,0,0,1,0,0|2,0,1]=4 1944 B17R1.26146 O=C(CCCCCCCCCO)CCC1CC1 1458a_100000756386_100009813782 [0,0,0,1,0,0|2,0,1]=4 1945 B17R1.26146 O=C(CCCCCCCCCO)NCC1CC1 240690a_100000735609_100000032657 [0,0,0,1,0,0|2,0,1]=4 1946 B17R1.26147 C#CCCCCCCCCC(=O)N1CCC1C 11a_100000755817_100000029693 [0,0,0,1,0,0|1,0,2]=4 1947 B17R1.26147 C#CCCCCCCCCC(=O)N1CCC1C 240690a_100000755817_100000029693 [0,0,0,1,0,0|1,0,2]=4 1948 B17R1.26147 C#CCCCCCCCCC(=O)N1CCC1C 527a_100000755817_100000029693 [0,0,0,1,0,0|1,0,2]=4 1949 B17R1.26147 C=CCCCCCCCCC(=O)C1CCC1=O 1458a_100000211349_100009892977 [0,0,0,1,0,0|2,0,1]=4 1950 B17R1.26147 C=CCCCCCCCCC(=O)N1CCC1C 11a_100000755817_100000211349 [0,0,0,1,0,0|1,0,0]=2 1951 B17R1.26147 C=CCCCCCCCCC(=O)N1CCC1C 240690a_100000755817_100000211349 [0,0,0,1,0,0|1,0,0]=2 1952 B17R1.26147 C=CCCCCCCCCC(=O)N1CCC1C 527a_100000755817_100000211349 [0,0,0,1,0,0|1,0,0]=2 1953 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCF 11a_100000755817_200009909015 [0,0,0,1,0,0|2,0,1]=4 1954 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCF 240690a_100000755817_200009909015 [0,0,0,1,0,0|2,0,1]=4 1955 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCF 527a_100000755817_200009909015 [0,0,0,1,0,0|2,0,1]=4 1956 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCO 240690a_100000755817_100000032657 [0,0,0,1,0,0|2,0,1]=4 1957 B17R1.26147 CCCCCCCCCCC(=O)N1CCC1C 11a_100000755817_100000210375 [0,0,0,1,0,0|1,0,2]=4 1958 B17R1.26147 CCCCCCCCCCC(=O)N1CCC1C 240690a_100000755817_100000210375 [0,0,0,1,0,0|1,0,2]=4 1959 B17R1.29199 C=CCCCCCCCCN1CCCCCC1 2230a_100000185865_100011933949 [0,0,0,1,0,0|3,0,0]=4 1960 B17R1.29199 C=CCCCCCCCCN1CCCCCC1 269982a_100000185865_100011933949 [0,0,0,1,0,0|3,0,0]=4 1961 B17R1.29199 C=CCCCCCCCCN1CCCCCC1 34a_100000185865_100011933949 [0,0,0,1,0,0|3,0,0]=4 1962 B17R1.29210 C=CCCCCCCCCc1nc(no1)CC 270196a_200000212204_100000211349 [0,0,0,1,0,0|2,0,1]=4 1963 B14R0.392 C#CCCCCCCCCOCCCC 34a_100000065265_100000210210 [2,0,0,0,0,0|0,0,2]=4 1964 B14R0.392 C#CCCCCCCCCOCCCC 7a_100000065265_100000210211 [2,0,0,0,0,0|0,0,2]=4 1965 B14R0.392 C#CCCOCCCCCCCCC=C 34a_100011215194_100000688953 [2,0,0,0,0,0|0,0,2]=4 1966 B14R0.392 C#CCCOCCCCCCCCC=C 34a_100011215631_100011933949 [2,0,0,0,0,0|0,0,2]=4 1967 B14R0.392 C#CCCOCCCCCCCCC=C 7a_100011215194_100000688953 [2,0,0,0,0,0|0,0,2]=4 1968 B14R0.392 C=CCCCCCCCCC=NNCC 4a_100000756455_100000039675 [2,0,0,0,0,0|2,0,0]=4 1969 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [2,0,0,0,0,0|1,0,1]=4 1970 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [2,0,0,0,0,0|1,0,1]=4 1971 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [2,0,0,0,0,0|1,0,1]=4 1972 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [2,0,0,0,0,0|1,0,1]=4 1973 B14R0.392 C=CCCCCCCCCCCCSC 62a_102130925996_200000210301 [2,0,0,0,0,0|1,0,1]=4 1974 B14R0.392 C=CCCCCCCCCCCCSC 62a_200000210301_102130925996 [2,0,0,0,0,0|1,0,1]=4 1975 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_102130925996_200025704644 [2,0,0,0,0,0|1,0,1]=4 1976 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_200025704644_102130925996 [2,0,0,0,0,0|1,0,1]=4 1977 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [2,0,0,0,0,0|1,0,1]=4 1978 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [2,0,0,0,0,0|1,0,1]=4 1979 B14R0.392 C=CCCCCCCCCCCSCC 62a_100000210202_100011093070 [2,0,0,0,0,0|1,0,1]=4 1980 B14R0.392 C=CCCCCCCCCCCSCC 62a_100011093070_100000210202 [2,0,0,0,0,0|1,0,1]=4 1981 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [2,0,0,0,0,0|1,0,1]=4 1982 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [2,0,0,0,0,0|1,0,1]=4 1983 B14R0.392 C=CCCCCCCCCCOCCBr 34a_100000211926_100009814027 [2,0,0,0,0,0|1,0,1]=4 1984 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [2,0,0,0,0,0|0,0,1]=3 1985 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [2,0,0,0,0,0|0,0,1]=3 1986 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [2,0,0,0,0,0|0,0,1]=3 1987 B14R0.392 C=CCCCCCCCCCOCCF 34a_100000038209_100011217306 [2,0,0,0,0,0|1,0,1]=4 1988 B14R0.392 C=CCCCCCCCCCOCCF 7a_100000038209_100011217306 [2,0,0,0,0,0|1,0,1]=4 1989 B14R0.392 C=CCCCCCCCCCOCCN 34a_100000210304_100009814027 [2,0,0,0,0,0|1,0,1]=4 1990 B14R0.392 C=CCCCCCCCCCOCCO 34a_100000038209_100000211926 [2,0,0,0,0,0|1,0,1]=4 1991 B14R0.392 C=CCCCCCCCCCOCCO 7a_100000038209_100000211926 [2,0,0,0,0,0|1,0,1]=4 1992 B14R0.392 C=CCCCCCCCCCOCSC 34a_100000038209_100011218213 [2,0,0,0,0,0|1,0,1]=4 1993 B14R0.392 C=CCCCCCCCCCSCCC 62a_100000210303_100009814027 [2,0,0,0,0,0|0,1,1]=4 1994 B14R0.392 C=CCCCCCCCCCSCCC 62a_100009814027_100000210303 [2,0,0,0,0,0|0,1,1]=4 1995 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [2,0,0,0,0,0|1,0,0]=3 1996 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [2,0,0,0,0,0|1,0,0]=3 1997 B14R0.392 C=CCCCCCCCCNCCCF 2230a_100015189416_100011933949 [2,0,0,0,0,0|2,0,0]=4 1998 B14R0.392 C=CCCCCCCCCNCCCF 34a_100015189416_100011933949 [2,0,0,0,0,0|2,0,0]=4 1999 B14R0.392 C=CCCCCCCCCNCCOC 2230a_100000209980_100011933949 [2,0,0,0,0,0|2,0,0]=4 2000 B14R0.392 C=CCCCCCCCCNCCSC 2230a_100020590264_100011933949 [2,0,0,0,0,0|2,0,0]=4 2001 B14R0.392 C=CCCCCCCCCOC/C=C/C 34a_100011215194_100102629194 [2,0,0,0,0,0|0,0,2]=4 2002 B14R0.392 C=CCCCCCCCCOC/C=C/C 34a_100016270725_100011933949 [2,0,0,0,0,0|0,0,2]=4 2003 B14R0.392 C=CCCCCCCCCOC/C=C/C 7a_100011215194_100102629194 [2,0,0,0,0,0|0,0,2]=4 2004 B14R0.392 C=CCCCCCCCCOCC#CC 34a_100000761923_100011933949 [2,0,0,0,0,0|0,0,2]=4 2005 B14R0.392 C=CCCCCCCCCOCC#CC 34a_100011215194_100000748600 [2,0,0,0,0,0|0,0,2]=4 2006 B14R0.392 C=CCCCCCCCCOCC#CC 7a_100011215194_100000748600 [2,0,0,0,0,0|0,0,2]=4 2007 B14R0.392 C=CCCCCCCCCOCC=CC 34a_100011215194_100000070051 [2,0,0,0,0,0|0,0,2]=4 2008 B14R0.392 C=CCCCCCCCCOCC=CC 7a_100011215194_100000070051 [2,0,0,0,0,0|0,0,2]=4 2009 B14R0.392 C=CCCCCCCCCOCCC#N 7a_100011215194_100000184422 [2,0,0,0,0,0|1,0,1]=4 2010 B14R0.392 C=CCCCCCCCCOCCC=C 34a_100011205117_100011933949 [2,0,0,0,0,0|0,0,2]=4 2011 B14R0.392 C=CCCCCCCCCOCCC=C 34a_100011215194_100000754431 [2,0,0,0,0,0|0,0,2]=4 2012 B14R0.392 C=CCCCCCCCCOCCC=C 7a_100011215194_100000754431 [2,0,0,0,0,0|0,0,2]=4 2013 B14R0.392 C=CCCCCCCCCOCCCBr 34a_100011217188_100011933949 [2,0,0,0,0,0|1,0,0]=3 2014 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [2,0,0,0,0,0|0,0,0]=2 2015 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [2,0,0,0,0,0|0,0,0]=2 2016 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [2,0,0,0,0,0|0,0,0]=2 2017 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [2,0,0,0,0,0|0,0,0]=2 2018 B14R0.392 C=CCCCCCCCCOCCCCl 34a_100000230001_100011933949 [2,0,0,0,0,0|1,0,0]=3 2019 B14R0.392 C=CCCCCCCCCOCCCF 34a_100000759539_100011933949 [2,0,0,0,0,0|1,0,0]=3 2020 B14R0.392 C=CCCCCCCCCOCCCF 34a_100011215194_100011934791 [2,0,0,0,0,0|1,0,0]=3 2021 B14R0.392 C=CCCCCCCCCOCCCF 7a_100011215194_100011934791 [2,0,0,0,0,0|1,0,0]=3 2022 B14R0.392 C=CCCCCCCCCOCCCN 34a_100000182051_100011933949 [2,0,0,0,0,0|1,0,0]=3 2023 B14R0.392 C=CCCCCCCCCOCCCO 34a_100011215194_100000230001 [2,0,0,0,0,0|1,0,0]=3 2024 B14R0.392 C=CCCCCCCCCOCCCO 7a_100011215194_100011215043 [2,0,0,0,0,0|1,0,0]=3 2025 B14R0.392 C=CCCCCCCCCOCCOC 34a_100000210237_100011933949 [2,0,0,0,0,0|1,0,0]=3 2026 B14R0.392 C=CCCCCCCCCOCCOC 34a_100011215194_100011201679 [2,0,0,0,0,0|1,0,0]=3 2027 B14R0.392 C=CCCCCCCCCOCCOC 7a_100011215194_100000233755 [2,0,0,0,0,0|1,0,0]=3 2028 B14R0.392 C=CCCCCCCCCOCCON 34a_100000700252_100011933949 [2,0,0,0,0,0|2,0,0]=4 2029 B14R0.392 C=CCCCCCCCCOCCSC 34a_100000230434_100011933949 [2,0,0,0,0,0|1,0,0]=3 2030 B14R0.392 C=CCCCCCCCCOCCSC 34a_100011215194_100000212216 [2,0,0,0,0,0|1,0,0]=3 2031 B14R0.392 C=CCCCCCCCCOCCSC 7a_100000230434_100011933949 [2,0,0,0,0,0|1,0,0]=3 2032 B14R0.392 C=CCCCCCCCCOCCSC 7a_100011215194_100000212216 [2,0,0,0,0,0|1,0,0]=3 2033 B14R0.392 C=CCCCCCCCCSCCCC 62a_100000210211_100011933949 [2,0,0,0,0,0|0,1,0]=3 2034 B14R0.392 C=CCCCCCCCCSCCCC 62a_100011933949_100000210210 [2,0,0,0,0,0|0,1,0]=3 2035 B14R0.392 C=CCCCCCCCCSCCCF 62a_100011933949_100011934791 [2,0,0,0,0,0|1,1,0]=4 2036 B14R0.392 C=CCCCCCCCCSCCCF 62a_100011934791_100011933949 [2,0,0,0,0,0|1,1,0]=4 2037 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011215043_100011933949 [2,0,0,0,0,0|1,1,0]=4 2038 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011933949_100011215043 [2,0,0,0,0,0|1,1,0]=4 2039 B14R0.392 C=CCCCCCCCCSCCOC 62a_100000233755_100011933949 [2,0,0,0,0,0|1,1,0]=4 2040 B14R0.392 C=CCCCCCCCCSCCOC 62a_100011933949_100000233755 [2,0,0,0,0,0|1,1,0]=4 2041 B14R0.392 C=CCCCCCCCCSCCSC 62a_100000212216_100011933949 [2,0,0,0,0,0|1,1,0]=4 2042 B14R0.392 C=CCCCCCCCCSCCSC 62a_100011933949_100000751147 [2,0,0,0,0,0|1,1,0]=4 2043 B14R0.392 C=CCCCCCCCCSCOCC 62a_100000739092_100011933949 [2,0,0,0,0,0|1,1,0]=4 2044 B14R0.392 C=CCCCCCCCCSCOCC 62a_100011933949_100000739092 [2,0,0,0,0,0|1,1,0]=4 2045 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [2,0,0,0,0,0|1,0,1]=4 2046 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [2,0,0,0,0,0|1,0,1]=4 2047 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [2,0,0,0,0,0|1,0,1]=4 2048 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [2,0,0,0,0,0|1,0,1]=4 2049 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [2,0,0,0,0,0|1,0,1]=4 2050 B14R0.392 C=CCCCCCCCSCCCCC 62a_100000210326_100012355270 [2,0,0,0,0,0|1,0,1]=4 2051 B14R0.392 C=CCCCCCCCSCCCCC 62a_100012355270_100000210326 [2,0,0,0,0,0|1,0,1]=4 2052 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [2,0,0,0,0,0|1,0,1]=4 2053 B14R0.392 C=CCCCCCCNCCOCCC 2230a_100161115042_100011215473 [2,0,0,0,0,0|1,0,1]=4 2054 B14R0.392 C=CCCCCCCNCCOCCC 34a_100161115042_100011215473 [2,0,0,0,0,0|1,0,1]=4 2055 B14R0.392 C=CCCCCCCOC/C=C/CCC 34a_100016278788_100011215473 [2,0,0,0,0,0|1,0,1]=4 2056 B14R0.392 C=CCCCCCCOC/C=C/CCC 7a_100016278788_100011215473 [2,0,0,0,0,0|1,0,1]=4 2057 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [2,0,0,0,0,0|1,0,1]=4 2058 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [2,0,0,0,0,0|1,0,1]=4 2059 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [2,0,0,0,0,0|1,0,1]=4 2060 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [2,0,0,0,0,0|1,0,1]=4 2061 B14R0.392 C=CCCCCCCOCCOCCC 34a_100000752267_100011215473 [2,0,0,0,0,0|1,0,1]=4 2062 B14R0.392 C=CCCCCCCOCCOCCC 34a_200011216477_100011215938 [2,0,0,0,0,0|1,0,1]=4 2063 B14R0.392 C=CCCCCCCOCCOCCC 7a_100000752267_100011215473 [2,0,0,0,0,0|1,0,1]=4 2064 B14R0.392 C=CCCCCCCOCCOCCC 7a_200011216477_100011215938 [2,0,0,0,0,0|1,0,1]=4 2065 B14R0.392 C=CCCCCCCOCOCCCC 34a_200011216477_100011995733 [2,0,0,0,0,0|1,0,0]=3 2066 B14R0.392 C=CCCCCCCSCCCCCC 62a_100000210314_100011215473 [2,0,0,0,0,0|1,0,1]=4 2067 B14R0.392 C=CCCCCCCSCCCCCC 62a_100011215473_100000210757 [2,0,0,0,0,0|1,0,1]=4 2068 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215473_100011215938 [2,0,0,0,0,0|1,0,1]=4 2069 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215938_100011215473 [2,0,0,0,0,0|1,0,1]=4 2070 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011215473_100011995733 [2,0,0,0,0,0|1,0,0]=3 2071 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011995733_100011215473 [2,0,0,0,0,0|1,0,0]=3 2072 B14R0.392 C=CCCCCCCSCOCCOC 62a_100000231047_100011215473 [2,0,0,0,0,0|2,0,0]=4 2073 B14R0.392 C=CCCCCCCSCOCCOC 62a_100011215473_100000231047 [2,0,0,0,0,0|2,0,0]=4 2074 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [2,0,0,0,0,0|1,0,1]=4 2075 B14R0.392 C=CCCCCCNCCCOCCC 2230a_100011217757_100000700193 [2,0,0,0,0,0|1,0,1]=4 2076 B14R0.392 C=CCCCCCNCCCOCCC 34a_100011217757_100000700193 [2,0,0,0,0,0|1,0,1]=4 2077 B14R0.392 C=CCCCCCNCCOCCOC 2230a_100000745349_100000700193 [2,0,0,0,0,0|2,0,0]=4 2078 B14R0.392 C=CCCCCCNCCOCCOC 34a_100000745349_100000700193 [2,0,0,0,0,0|2,0,0]=4 2079 B14R0.392 C=CCCCCCNCCSCCCC 2230a_100025743550_100000700193 [2,0,0,0,0,0|1,1,0]=4 2080 B14R0.392 C=CCCCCCOC/C=C/CCCC 34a_200016272032_100000700193 [2,0,0,0,0,0|1,0,1]=4 2081 B14R0.392 C=CCCCCCOC/C=C/CCCC 7a_200016272032_100000700193 [2,0,0,0,0,0|1,0,1]=4 2082 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [2,0,0,0,0,0|1,0,1]=4 2083 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [2,0,0,0,0,0|1,0,1]=4 2084 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [2,0,0,0,0,0|1,0,1]=4 2085 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [2,0,0,0,0,0|1,0,1]=4 2086 B14R0.392 C=CCCCCCOCCOCCCC 34a_100000210238_100000700193 [2,0,0,0,0,0|1,0,0]=3 2087 B14R0.392 C=CCCCCCOCCOCCCC 34a_100011216702_100000743108 [2,0,0,0,0,0|1,0,0]=3 2088 B14R0.392 C=CCCCCCOCCOCCCC 7a_100000210238_100000700193 [2,0,0,0,0,0|1,0,0]=3 2089 B14R0.392 C=CCCCCCOCCOCCCC 7a_100011216702_100000743108 [2,0,0,0,0,0|1,0,0]=3 2090 B14R0.392 C=CCCCCCOCCOCCNC 34a_100000228057_100000700193 [2,0,0,0,0,0|2,0,0]=4 2091 B14R0.392 C=CCCCCCOCCOCCOC 34a_100011215163_100000700193 [2,0,0,0,0,0|2,0,0]=4 2092 B14R0.392 C=CCCCCCOCCOCCOC 34a_100011216702_100000695917 [2,0,0,0,0,0|2,0,0]=4 2093 B14R0.392 C=CCCCCCOCCOCCOC 7a_100011215163_100000700193 [2,0,0,0,0,0|2,0,0]=4 2094 B14R0.392 C=CCCCCCOCCOCCOC 7a_100011216702_100000695917 [2,0,0,0,0,0|2,0,0]=4 2095 B14R0.392 C=CCCCCCOCCSCCCC 34a_200000230436_100000700193 [2,0,0,0,0,0|1,1,0]=4 2096 B14R0.392 C=CCCCCCOCCSCCCC 7a_200000230436_100000700193 [2,0,0,0,0,0|1,1,0]=4 2097 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000210614_100000700193 [2,0,0,0,0,0|1,0,1]=4 2098 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000700193_100000210316 [2,0,0,0,0,0|1,0,1]=4 2099 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000700193_100000743108 [2,0,0,0,0,0|1,0,0]=3 2100 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000743108_100000700193 [2,0,0,0,0,0|1,0,0]=3 2101 B14R0.392 C=CCCCCCSCCOCCOC 62a_100000695917_100000700193 [2,0,0,0,0,0|2,0,0]=4 2102 B14R0.392 C=CCCCCCSCCOCCOC 62a_100000700193_100000695917 [2,0,0,0,0,0|2,0,0]=4 2103 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [2,0,0,0,0,0|1,0,1]=4 2104 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [2,0,0,0,0,0|1,0,1]=4 2105 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [2,0,0,0,0,0|1,0,1]=4 2106 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [2,0,0,0,0,0|1,0,1]=4 2107 B14R0.392 C=CCCCCNCCCOCCCC 2230a_200000211371_100011215482 [2,0,0,0,0,0|1,0,0]=3 2108 B14R0.392 C=CCCCCNCCCOCCCC 34a_200000211371_100011215482 [2,0,0,0,0,0|1,0,0]=3 2109 B14R0.392 C=CCCCCNCCCOCCCO 2230a_100011310245_100011215482 [2,0,0,0,0,0|2,0,0]=4 2110 B14R0.392 C=CCCCCNCCCOCCCO 34a_100011310245_100011215482 [2,0,0,0,0,0|2,0,0]=4 2111 B14R0.392 C=CCCCCNCCCOCCOC 2230a_100000206027_100011215482 [2,0,0,0,0,0|2,0,0]=4 2112 B14R0.392 C=CCCCCNCCCOCCOC 2230a_100000703577_100011216529 [2,0,0,0,0,0|2,0,0]=4 2113 B14R0.392 C=CCCCCNCCCOCCOC 34a_100000206027_100011215482 [2,0,0,0,0,0|2,0,0]=4 2114 B14R0.392 C=CCCCCNCCCOCCOC 34a_100000703577_100011216529 [2,0,0,0,0,0|2,0,0]=4 2115 B14R0.392 C=CCCCCOCC/C=C\CCCC 34a_200016286491_100011215482 [2,0,0,0,0,0|1,0,1]=4 2116 B14R0.392 C=CCCCCOCC/C=C\CCCC 7a_200016286491_100011215482 [2,0,0,0,0,0|1,0,1]=4 2117 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [2,0,0,0,0,0|1,0,1]=4 2118 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [2,0,0,0,0,0|1,0,1]=4 2119 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [2,0,0,0,0,0|1,0,1]=4 2120 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [2,0,0,0,0,0|1,0,1]=4 2121 B14R0.392 C=CCCCCOCCCOCCCC 34a_200011215613_100011215482 [2,0,0,0,0,0|1,0,0]=3 2122 B14R0.392 C=CCCCCOCCCOCCCC 7a_200011215613_100011215482 [2,0,0,0,0,0|1,0,0]=3 2123 B14R0.392 C=CCCCCOCCCOCCCN 34a_100011310245_100011215482 [2,0,0,0,0,0|2,0,0]=4 2124 B14R0.392 C=CCCCCOCCCOCCOC 34a_100000766645_100011216529 [2,0,0,0,0,0|2,0,0]=4 2125 B14R0.392 C=CCCCCOCCCOCCOC 7a_100000766645_100011216529 [2,0,0,0,0,0|2,0,0]=4 2126 B14R0.392 C=CCCCCSCCCCCCCC 62a_100000210759_100011215482 [2,0,0,0,0,0|1,0,1]=4 2127 B14R0.392 C=CCCCCSCCCCCCCC 62a_100011215482_100000210317 [2,0,0,0,0,0|1,0,1]=4 2128 B14R0.392 C=CCCCCSCCCOCCOC 62a_100011215482_100011216529 [2,0,0,0,0,0|2,0,0]=4 2129 B14R0.392 C=CCCCCSCCCOCCOC 62a_100011216529_100011215482 [2,0,0,0,0,0|2,0,0]=4 2130 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [2,0,0,0,0,0|1,0,1]=4 2131 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [2,0,0,0,0,0|1,0,1]=4 2132 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [2,0,0,0,0,0|1,0,1]=4 2133 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [2,0,0,0,0,0|1,0,1]=4 2134 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [2,0,0,0,0,0|1,0,1]=4 2135 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [2,0,0,0,0,0|1,0,1]=4 2136 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [2,0,0,0,0,0|1,0,1]=4 2137 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [2,0,0,0,0,0|1,0,1]=4 2138 B14R0.392 C=CCCCOCCCCNCCCC 34a_200011216965_100000757094 [2,0,0,0,0,0|2,0,0]=4 2139 B14R0.392 C=CCCCOCCCCOCCCC 34a_200000760531_100000757094 [2,0,0,0,0,0|1,0,0]=3 2140 B14R0.392 C=CCCCOCCCCOCCCC 7a_200000760531_100000757094 [2,0,0,0,0,0|1,0,0]=3 2141 B14R0.392 C=CCCCSCCCCCCCCC 62a_100011713584_100000210670 [2,0,0,0,0,0|1,0,1]=4 2142 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [2,0,0,0,0,0|1,0,1]=4 2143 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [2,0,0,0,0,0|1,0,1]=4 2144 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [2,0,0,0,0,0|1,0,1]=4 2145 B14R0.392 C=CCCOCCCC/C=C/CCCC 34a_200020645093_100000754431 [2,0,0,0,0,0|1,0,1]=4 2146 B14R0.392 C=CCCOCCCC/C=C/CCCC 7a_200020645093_100000754431 [2,0,0,0,0,0|1,0,1]=4 2147 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [2,0,0,0,0,0|1,0,1]=4 2148 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [2,0,0,0,0,0|1,0,1]=4 2149 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [2,0,0,0,0,0|1,0,1]=4 2150 B14R0.392 C=CCCOCCOCCOCCCC 34a_100011215186_100000754431 [2,0,0,0,0,0|2,0,0]=4 2151 B14R0.392 C=CCCOCCOCCOCCCC 7a_100011215186_100000754431 [2,0,0,0,0,0|2,0,0]=4 2152 B14R0.392 C=CCCSCCCCCCCCCC 62a_100000754431_100000210320 [2,0,0,0,0,0|1,0,1]=4 2153 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [2,0,0,0,0,0|1,0,1]=4 2154 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [2,0,0,0,0,0|1,0,1]=4 2155 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [2,0,0,0,0,0|1,0,1]=4 2156 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [2,0,0,0,0,0|1,0,1]=4 2157 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [2,0,0,0,0,0|1,0,1]=4 2158 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [2,0,0,0,0,0|1,0,1]=4 2159 B14R0.392 C=CCSCCCCCCCCCCC 62a_100000210623_100011215454 [2,0,0,0,0,0|1,0,1]=4 2160 B14R0.392 C=COCCCCOCCOCCCC 34a_100000031558_100000743108 [2,0,0,0,0,0|2,0,0]=4 2161 B14R0.392 C=COCCCCOCCOCCCC 7a_100000031558_100000743108 [2,0,0,0,0,0|2,0,0]=4 2162 B14R0.392 C=COCCOCCCCOCCCC 34a_200000760531_100000039644 [2,0,0,0,0,0|2,0,0]=4 2163 B14R0.392 C=COCCOCCCCOCCCC 7a_200000760531_100000039644 [2,0,0,0,0,0|2,0,0]=4 2164 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210227_100000210320 [2,0,0,0,0,0|0,0,2]=4 2165 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210711_100000210210 [2,0,0,0,0,0|0,0,2]=4 2166 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210227_100000210320 [2,0,0,0,0,0|0,0,2]=4 2167 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210711_100000210211 [2,0,0,0,0,0|0,0,2]=4 2168 B14R0.392 CCCCOCCCCCCCCCBr 34a_100009813782_100000210210 [2,0,0,0,0,0|1,0,1]=4 2169 B14R0.392 CCCCOCCCCCCCCCBr 7a_100009813782_100000210211 [2,0,0,0,0,0|1,0,1]=4 2170 B14R0.392 CCCCOCCCCCCCCCCl 34a_100009868337_100000210210 [2,0,0,0,0,0|1,0,1]=4 2171 B14R0.392 CCCCOCCCCCCCCCCl 7a_100009868337_100000210211 [2,0,0,0,0,0|1,0,1]=4 2172 B14R0.392 CCCCOCCCCCCCCCN 34a_100000078944_100000210210 [2,0,0,0,0,0|1,0,1]=4 2173 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [2,0,0,0,0,0|1,0,1]=4 2174 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [2,0,0,0,0,0|1,0,1]=4 2175 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [2,0,0,0,0,0|2,0,0]=4 2176 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [2,0,0,0,0,0|2,0,0]=4 2177 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [2,0,0,0,0,0|2,0,0]=4 2178 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [2,0,0,0,0,0|2,0,0]=4 2179 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [2,0,0,0,0,0|2,0,0]=4 2180 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [2,0,0,0,0,0|2,0,0]=4 2181 B14R0.179 C=CCCCCCCC(=O)C#CCCC 1458a_200011218047_100011215473 [2,0,0,0,0,0|1,0,1]=4 2182 B14R0.179 C=CCCCCCCC(=O)C=CCCC 1458a_100000212230_100011215473 [2,0,0,0,0,0|1,0,1]=4 2183 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100000212188_100011215473 [2,0,0,0,0,0|1,0,0]=3 2184 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100011809334_100000210326 [2,0,0,0,0,0|1,0,0]=3 2185 B14R0.179 C=CCCCCCCC(=O)CCCCF 1458a_100011809334_100000729493 [2,0,0,0,0,0|2,0,0]=4 2186 B14R0.179 C=CCCCCCCC(=O)CCCCO 1458a_100000695505_100011215473 [2,0,0,0,0,0|2,0,0]=4 2187 B14R0.179 C=CCCCCCCC(=O)CCCCO 1458a_100011809334_100000210776 [2,0,0,0,0,0|2,0,0]=4 2188 B14R0.179 C=CCCCCCCC(=O)CCCOC 1458a_100000741012_100011215473 [2,0,0,0,0,0|2,0,0]=4 2189 B14R0.179 C=CCCCCCCC(=O)CCCOC 1458a_100011809334_100000740836 [2,0,0,0,0,0|2,0,0]=4 2190 B14R0.179 C=CCCCCCCC(=O)CCCSC 1458a_100000173376_100011215473 [2,0,0,0,0,0|2,0,0]=4 2191 B14R0.179 C=CCCCCCCC(=O)CCOCC 1458a_100000749530_100011215473 [2,0,0,0,0,0|2,0,0]=4 2192 B14R0.179 C=CCCCCCCC(=O)CCOCC 1458a_100011809334_100011215890 [2,0,0,0,0,0|2,0,0]=4 2193 B14R0.179 C=CCCCCCCC(=O)CCSCC 1458a_100000230768_100011215473 [2,0,0,0,0,0|2,0,0]=4 2194 B14R0.179 C=CCCCCCCC(=O)CCSCC 1458a_100011809334_100000757381 [2,0,0,0,0,0|2,0,0]=4 2195 B14R0.179 C=CCCCCCCC(=O)COCCC 1458a_100000745993_100011215473 [2,0,0,0,0,0|2,0,0]=4 2196 B14R0.179 C=CCCCCCCC(=O)CSCCC 1458a_100000217233_100011215473 [2,0,0,0,0,0|2,0,0]=4 2197 B14R0.179 C=CCCCCCCC(=O)NCCCC 11a_100000102301_100011809334 [2,0,0,0,0,0|1,0,0]=3 2198 B14R0.179 C=CCCCCCCC(=O)NCCCC 1626a_100000102301_100011809334 [2,0,0,0,0,0|1,0,0]=3 2199 B14R0.179 C=CCCCCCCC(=O)NCCCC 240690a_100000102301_100011809334 [2,0,0,0,0,0|1,0,0]=3 2200 B14R0.179 C=CCCCCCCC(=O)NCCCC 527a_100000102301_100011809334 [2,0,0,0,0,0|1,0,0]=3 2201 B14R0.179 C=CCCCCCCC(=O)NCCCF 11a_100015189416_100011809334 [2,0,0,0,0,0|2,0,0]=4 2202 B14R0.179 C=CCCCCCCC(=O)NCCCF 1626a_100015189416_100011809334 [2,0,0,0,0,0|2,0,0]=4 2203 B14R0.179 C=CCCCCCCC(=O)NCCCF 240690a_100015189416_100011809334 [2,0,0,0,0,0|2,0,0]=4 2204 B14R0.179 C=CCCCCCCC(=O)NCCCF 527a_100015189416_100011809334 [2,0,0,0,0,0|2,0,0]=4 2205 B14R0.179 C=CCCCCCCC(=O)NCCCO 240690a_100000182051_100011809334 [2,0,0,0,0,0|2,0,0]=4 2206 B14R0.179 C=CCCCCCCC(=O)NCCCO 527a_100000182051_100011809334 [2,0,0,0,0,0|2,0,0]=4 2207 B14R0.179 C=CCCCCCCC(=O)NCCOC 1626a_100000209980_100011809334 [2,0,0,0,0,0|2,0,0]=4 2208 B14R0.179 C=CCCCCCCC(=O)NCCOC 240690a_100000209980_100011809334 [2,0,0,0,0,0|2,0,0]=4 2209 B14R0.179 C=CCCCCCCC(=O)NCCOC 527a_100000209980_100011809334 [2,0,0,0,0,0|2,0,0]=4 2210 B14R0.179 C=CCCCCCCC(=O)NCCSC 11a_100020590264_100011809334 [2,0,0,0,0,0|2,0,0]=4 2211 B14R0.179 C=CCCCCCCC(=O)NCCSC 1626a_100020590264_100011809334 [2,0,0,0,0,0|2,0,0]=4 2212 B14R0.179 C=CCCCCCCC(=O)NCCSC 240690a_100020590264_100011809334 [2,0,0,0,0,0|2,0,0]=4 2213 B14R0.179 C=CCCCCCCC(=O)NCCSC 527a_100020590264_100011809334 [2,0,0,0,0,0|2,0,0]=4 2214 B14R0.179 C=CCCCCCCC(=O)NNCCC 22a_100000740057_100011809334 [2,0,0,0,0,0|2,0,0]=4 2215 B14R0.179 C=CCCCCNCC(=O)CCCCC 2230a_100000703577_200012276598 [2,0,0,0,0,0|2,0,0]=4 2216 B14R0.179 C=CCCCCNCC(=O)CCCCC 34a_100000703577_200012276598 [2,0,0,0,0,0|2,0,0]=4 2217 B14R0.179 C=CCCCCNCC(=O)NCCCC 2230a_100000703577_100000182744 [2,0,0,0,0,0|2,0,0]=4 2218 B14R0.179 C=CCCCCNCC(=O)NCCCC 34a_100000703577_100000182744 [2,0,0,0,0,0|2,0,0]=4 2219 B14R0.179 C=CCCCCNCC(=O)OCCCC 2230a_100000703577_100000211628 [2,0,0,0,0,0|1,0,0]=3 2220 B14R0.179 C=CCCCCNCC(=O)OCCCC 34a_100000703577_100000211628 [2,0,0,0,0,0|1,0,0]=3 2221 B14R0.179 C=CCCCCNCC(=O)OCCOC 2230a_100000703577_200000040189 [2,0,0,0,0,0|2,0,0]=4 2222 B14R0.179 C=CCCCCNCC(=O)OCCOC 34a_100000703577_200000040189 [2,0,0,0,0,0|2,0,0]=4 2223 B14R0.179 C=CCCCCOCC(=O)CCCCC 34a_100000766645_200012276598 [2,0,0,0,0,0|2,0,0]=4 2224 B14R0.179 C=CCCCCOCC(=O)CCCCC 7a_100000766645_200012276598 [2,0,0,0,0,0|2,0,0]=4 2225 B14R0.179 C=CCCCCOCC(=O)NCCCC 34a_100000766645_100000182744 [2,0,0,0,0,0|2,0,0]=4 2226 B14R0.179 C=CCCCCOCC(=O)NCCCC 7a_100000766645_100000182744 [2,0,0,0,0,0|2,0,0]=4 2227 B14R0.179 C=CCCCCOCC(=O)OCCCC 34a_100000766645_100000211628 [2,0,0,0,0,0|1,0,0]=3 2228 B14R0.179 C=CCCCCOCC(=O)OCCCC 7a_100000766645_100000211628 [2,0,0,0,0,0|1,0,0]=3 2229 B14R0.179 C=CCCCCOCC(=O)OCCOC 34a_100000766645_200000040189 [2,0,0,0,0,0|2,0,0]=4 2230 B14R0.179 C=CCCCCOCC(=O)OCCOC 7a_100000766645_200000040189 [2,0,0,0,0,0|2,0,0]=4 2231 B14R0.179 C=CCCCCSCC(=O)CCCCC 62a_100011215482_200012276598 [2,0,0,0,0,0|2,0,0]=4 2232 B14R0.179 C=CCCCCSCC(=O)CCCCC 62a_200012276598_100011215482 [2,0,0,0,0,0|2,0,0]=4 2233 B14R0.179 C=CCCCCSCC(=O)NCCCC 62a_100000182744_100011215482 [2,0,0,0,0,0|2,0,0]=4 2234 B14R0.179 C=CCCCCSCC(=O)NCCCC 62a_100011215482_100000182744 [2,0,0,0,0,0|2,0,0]=4 2235 B14R0.179 C=CCCCCSCC(=O)OCCCC 62a_100000211628_100011215482 [2,0,0,0,0,0|1,0,0]=3 2236 B14R0.179 C=CCCCCSCC(=O)OCCCC 62a_100011215482_100000211628 [2,0,0,0,0,0|1,0,0]=3 2237 B14R0.179 C=CCCCCSCC(=O)OCCOC 62a_100011215482_200000040189 [2,0,0,0,0,0|2,0,0]=4 2238 B14R0.179 C=CCCCCSCC(=O)OCCOC 62a_200000040189_100011215482 [2,0,0,0,0,0|2,0,0]=4 2239 B14R0.179 C=CCOCCOCC(=O)OCCCC 34a_100000037705_100000211628 [2,0,0,0,0,0|2,0,0]=4 2240 B14R0.179 C=CCOCCOCC(=O)OCCCC 7a_100000037705_100000211628 [2,0,0,0,0,0|2,0,0]=4 2241 B14R0.179 C=COCCCNCC(=O)OCCCC 2230a_100000210767_100000211628 [2,0,0,0,0,0|2,0,0]=4 2242 B14R0.179 C=COCCCNCC(=O)OCCCC 34a_100000210767_100000211628 [2,0,0,0,0,0|2,0,0]=4 2243 B14R0.179 CCCC#CC(=O)CCCCCCCC 1458a_200011218047_100000210759 [2,0,0,0,0,0|1,0,1]=4 2244 B14R0.179 CCCC=CC(=O)CCCCCCCC 1458a_100000212230_100000210759 [2,0,0,0,0,0|1,0,1]=4 2245 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100000212188_100000760002 [2,0,0,0,0,0|2,0,0]=4 2246 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210326 [2,0,0,0,0,0|2,0,0]=4 2247 B14R0.179 CCCCCC(=O)CCCCCCOC 1458a_100000212188_100011998445 [2,0,0,0,0,0|2,0,0]=4 2248 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000210188_100000210326 [2,0,0,0,0,0|1,0,0]=3 2249 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210759 [2,0,0,0,0,0|1,0,0]=3 2250 B14R0.179 CCCCCCCCC(=O)CCCCF 1458a_100000210188_100000729493 [2,0,0,0,0,0|2,0,0]=4 2251 B14R0.179 CCCCCCCCC(=O)CCCCO 1458a_100000210188_100000210776 [2,0,0,0,0,0|2,0,0]=4 2252 B14R0.179 CCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210759 [2,0,0,0,0,0|2,0,0]=4 2253 B14R0.179 CCCCCCCCC(=O)CCCOC 1458a_100000210188_100000740836 [2,0,0,0,0,0|2,0,0]=4 2254 B14R0.179 CCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210759 [2,0,0,0,0,0|2,0,0]=4 2255 B14R0.179 CCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210759 [2,0,0,0,0,0|2,0,0]=4 2256 B14R0.179 CCCCCCCCC(=O)CCOCC 1458a_100000210188_100011215890 [2,0,0,0,0,0|2,0,0]=4 2257 B14R0.179 CCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210759 [2,0,0,0,0,0|2,0,0]=4 2258 B14R0.179 CCCCCCCCC(=O)CCSCC 1458a_100000210188_100000757381 [2,0,0,0,0,0|2,0,0]=4 2259 B14R0.179 CCCCCCCCC(=O)CCSCC 1458a_100000230768_100000210759 [2,0,0,0,0,0|2,0,0]=4 2260 B14R0.179 CCCCCCCCC(=O)COCCC 1458a_100000745993_100000210759 [2,0,0,0,0,0|2,0,0]=4 2261 B14R0.179 CCCCCCCCC(=O)CSCCC 1458a_100000217233_100000210759 [2,0,0,0,0,0|2,0,0]=4 2262 B14R0.179 CCCCCCCCC(=O)NCCCC 11a_100000102301_100000210188 [2,0,0,0,0,0|1,0,0]=3 2263 B14R0.179 CCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210188 [2,0,0,0,0,0|1,0,0]=3 2264 B14R0.179 CCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210188 [2,0,0,0,0,0|1,0,0]=3 2265 B14R0.179 CCCCCCCCC(=O)NCCCC 527a_100000102301_100000210188 [2,0,0,0,0,0|1,0,0]=3 2266 B14R0.179 CCCCCCCCC(=O)NCCCF 11a_100015189416_100000210188 [2,0,0,0,0,0|2,0,0]=4 2267 B14R0.179 CCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210188 [2,0,0,0,0,0|2,0,0]=4 2268 B14R0.179 CCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210188 [2,0,0,0,0,0|2,0,0]=4 2269 B14R0.179 CCCCCCCCC(=O)NCCCF 527a_100015189416_100000210188 [2,0,0,0,0,0|2,0,0]=4 2270 B14R0.179 CCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210188 [2,0,0,0,0,0|2,0,0]=4 2271 B14R0.179 CCCCCCCCC(=O)NCCCO 527a_100000182051_100000210188 [2,0,0,0,0,0|2,0,0]=4 2272 B14R0.179 CCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210188 [2,0,0,0,0,0|2,0,0]=4 2273 B14R0.179 CCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210188 [2,0,0,0,0,0|2,0,0]=4 2274 B14R0.179 CCCCCCCCC(=O)NCCOC 527a_100000209980_100000210188 [2,0,0,0,0,0|2,0,0]=4 2275 B14R0.179 CCCCCCCCC(=O)NCCSC 11a_100020590264_100000210188 [2,0,0,0,0,0|2,0,0]=4 2276 B14R0.179 CCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210188 [2,0,0,0,0,0|2,0,0]=4 2277 B14R0.179 CCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210188 [2,0,0,0,0,0|2,0,0]=4 2278 B14R0.179 CCCCCCCCC(=O)NCCSC 527a_100020590264_100000210188 [2,0,0,0,0,0|2,0,0]=4 2279 B14R0.179 CCCCCCCCC(=O)NNCCC 22a_100000740057_100000210188 [2,0,0,0,0,0|2,0,0]=4 2280 B14R0.179 CCCCCCCCC(C)OCCCC 34a_100000210740_100000210210 [2,0,0,0,0,0|1,0,1]=4 2281 B14R0.179 CCCCCCCCC(C)OCCCC 7a_100000210740_100000210211 [2,0,0,0,0,0|1,0,1]=4 2282 B14R0.179 CCCCCCCNC(=O)CCCCC 11a_100000229938_100000212188 [2,0,0,0,0,0|2,0,0]=4 2283 B14R0.179 CCCCCCCNC(=O)CCCCC 1626a_100000229938_100000212188 [2,0,0,0,0,0|2,0,0]=4 2284 B14R0.179 CCCCCCCNC(=O)CCCCC 240690a_100000229938_100000212188 [2,0,0,0,0,0|2,0,0]=4 2285 B14R0.179 CCCCCCCNC(=O)CCCCC 527a_100000229938_100000212188 [2,0,0,0,0,0|2,0,0]=4 2286 B14R0.179 CCCCCCCNC(=O)NCCCC 2708a_100000102301_100000229938 [2,0,0,0,0,0|2,0,0]=4 2287 B14R0.179 CCCCCCCNC(=O)NCCCC 2708a_100000229938_100000102301 [2,0,0,0,0,0|2,0,0]=4 2288 B14R0.179 CCCCCCCNC(=O)NCCCC 273464a_100000102301_100000229938 [2,0,0,0,0,0|2,0,0]=4 2289 B14R0.179 CCCCCCCNC(=O)NCCCC 273464a_100000229938_100000102301 [2,0,0,0,0,0|2,0,0]=4 2290 B14R0.179 CCCCCCCNC(=O)NCCCC 512a_100000102301_100000229938 [2,0,0,0,0,0|2,0,0]=4 2291 B14R0.179 CCCCCCCNC(=O)NCCCC 512a_100000229938_100000102301 [2,0,0,0,0,0|2,0,0]=4 2292 B14R0.179 CCCCCCNCC(=O)CCCCC 2230a_100000210581_200012276598 [2,0,0,0,0,0|2,0,0]=4 2293 B14R0.179 CCCCCCNCC(=O)NCCCC 2230a_100000210581_100000182744 [2,0,0,0,0,0|2,0,0]=4 2294 B14R0.179 CCCCCCNCC(=O)OCCCC 2230a_100000210581_100000211628 [2,0,0,0,0,0|1,0,0]=3 2295 B14R0.179 CCCCCCNCC(=O)OCCOC 2230a_100000210581_200000040189 [2,0,0,0,0,0|2,0,0]=4 2296 B14R0.179 CCCCCCOCC(=O)CCCCC 34a_100000210259_200012276598 [2,0,0,0,0,0|2,0,0]=4 2297 B14R0.179 CCCCCCOCC(=O)CCCCC 7a_100000210259_200012276598 [2,0,0,0,0,0|2,0,0]=4 2298 B14R0.179 CCCCCCOCC(=O)NCCCC 34a_100000210259_100000182744 [2,0,0,0,0,0|2,0,0]=4 2299 B14R0.179 CCCCCCOCC(=O)NCCCC 7a_100000210259_100000182744 [2,0,0,0,0,0|2,0,0]=4 2300 B14R0.179 CCCCCCOCC(=O)OCCCC 34a_100000210259_100000211628 [2,0,0,0,0,0|1,0,0]=3 2301 B14R0.179 CCCCCCOCC(=O)OCCCC 7a_100000210259_100000211628 [2,0,0,0,0,0|1,0,0]=3 2302 B14R0.179 CCCCCCOCC(=O)OCCOC 34a_100000210259_200000040189 [2,0,0,0,0,0|2,0,0]=4 2303 B14R0.179 CCCCCCOCC(=O)OCCOC 7a_100000210259_200000040189 [2,0,0,0,0,0|2,0,0]=4 2304 B14R0.179 CCCCCCSCC(=O)CCCCC 62a_100000210314_200012276598 [2,0,0,0,0,0|2,0,0]=4 2305 B14R0.179 CCCCCCSCC(=O)CCCCC 62a_200012276598_100000210757 [2,0,0,0,0,0|2,0,0]=4 2306 B14R0.179 CCCCCCSCC(=O)NCCCC 62a_100000182744_100000210757 [2,0,0,0,0,0|2,0,0]=4 2307 B14R0.179 CCCCCCSCC(=O)NCCCC 62a_100000210314_100000182744 [2,0,0,0,0,0|2,0,0]=4 2308 B14R0.179 CCCCCCSCC(=O)OCCCC 62a_100000210314_100000211628 [2,0,0,0,0,0|1,0,0]=3 2309 B14R0.179 CCCCCCSCC(=O)OCCCC 62a_100000211628_100000210757 [2,0,0,0,0,0|1,0,0]=3 2310 B14R0.179 CCCCCCSCC(=O)OCCOC 62a_100000210314_200000040189 [2,0,0,0,0,0|2,0,0]=4 2311 B14R0.179 CCCCCCSCC(=O)OCCOC 62a_200000040189_100000210757 [2,0,0,0,0,0|2,0,0]=4 2312 B14R0.179 CCCCNC(=O)CCCCCCCO 240690a_100000102301_100011219782 [2,0,0,0,0,0|2,0,0]=4 2313 B14R0.179 CCCCOC(=O)CNCCCCCO 2230a_100000762737_100000211628 [2,0,0,0,0,0|2,0,0]=4 2314 B14R0.179 CCCCOC(=O)CNCCCCCO 34a_100000762737_100000211628 [2,0,0,0,0,0|2,0,0]=4 2315 B14R0.179 CCCCOC(=O)CNCCCOCC 2230a_100000210961_100000211628 [2,0,0,0,0,0|2,0,0]=4 2316 B14R0.179 CCCCOC(=O)CNCCCOCC 34a_100000210961_100000211628 [2,0,0,0,0,0|2,0,0]=4 2317 B14R0.179 CCCCOC(=O)CNCCOCCC 2230a_100161115042_100000211628 [2,0,0,0,0,0|2,0,0]=4 2318 B14R0.179 CCCCOC(=O)CNCCOCCC 34a_100161115042_100000211628 [2,0,0,0,0,0|2,0,0]=4 2319 B14R0.179 CCCCOC(=O)CNCCSCCC 2230a_100020603323_100000211628 [2,0,0,0,0,0|2,0,0]=4 2320 B14R0.179 CCCCOC(=O)COCCCCCBr 34a_100000746331_100000211628 [2,0,0,0,0,0|2,0,0]=4 2321 B14R0.179 CCCCOC(=O)COCCCCCBr 7a_100000746331_100000211628 [2,0,0,0,0,0|2,0,0]=4 2322 B14R0.179 CCCCOC(=O)COCCCCCCl 34a_100000746330_100000211628 [2,0,0,0,0,0|2,0,0]=4 2323 B14R0.179 CCCCOC(=O)COCCCCCCl 7a_100000746330_100000211628 [2,0,0,0,0,0|2,0,0]=4 2324 B14R0.179 CCCCOC(=O)COCCCCCI 34a_200012148887_100000211628 [2,0,0,0,0,0|2,0,0]=4 2325 B14R0.179 CCCCOC(=O)COCCCCCI 7a_200012148887_100000211628 [2,0,0,0,0,0|2,0,0]=4 2326 B14R0.179 CCCCOC(=O)COCCCCCN 34a_100000762737_100000211628 [2,0,0,0,0,0|2,0,0]=4 2327 B14R0.179 CCCCOC(=O)COCCCCOC 34a_100000740925_100000211628 [2,0,0,0,0,0|2,0,0]=4 2328 B14R0.179 CCCCOC(=O)COCCCCSC 34a_100011217163_100000211628 [2,0,0,0,0,0|2,0,0]=4 2329 B14R0.179 CCCCOC(=O)COCCCCSC 7a_100011217163_100000211628 [2,0,0,0,0,0|2,0,0]=4 2330 B14R0.179 CCCCOC(=O)COCCCOCC 34a_100000757476_100000211628 [2,0,0,0,0,0|2,0,0]=4 2331 B14R0.179 CCCCOC(=O)COCCCOCC 7a_100000757476_100000211628 [2,0,0,0,0,0|2,0,0]=4 2332 B14R0.179 CCCCOC(=O)COCCCSCC 34a_100011216438_100000211628 [2,0,0,0,0,0|2,0,0]=4 2333 B14R0.179 CCCCOC(=O)COCCCSCC 7a_100011216438_100000211628 [2,0,0,0,0,0|2,0,0]=4 2334 B14R0.179 CCCCOC(=O)COCCOCCC 34a_100000752267_100000211628 [2,0,0,0,0,0|2,0,0]=4 2335 B14R0.179 CCCCOC(=O)COCCOCCC 7a_100000752267_100000211628 [2,0,0,0,0,0|2,0,0]=4 2336 B14R0.179 CCCCOC(=O)COCCSCCC 34a_200000230433_100000211628 [2,0,0,0,0,0|2,0,0]=4 2337 B14R0.179 CCCCOC(=O)COCCSCCC 7a_200000230433_100000211628 [2,0,0,0,0,0|2,0,0]=4 2338 B14R0.179 CCCCOC(=O)CSCCCCC=O 62a_100000139335_100000211628 [2,0,0,0,0,0|2,0,0]=4 2339 B14R0.179 CCCCOC(=O)CSCCCCC=O 62a_100000211628_100000139335 [2,0,0,0,0,0|2,0,0]=4 2340 B14R0.179 CCCCOC(=O)CSCCCCCF 62a_100000211628_100000729378 [2,0,0,0,0,0|2,0,0]=4 2341 B14R0.179 CCCCOC(=O)CSCCCCCF 62a_100000729378_100000211628 [2,0,0,0,0,0|2,0,0]=4 2342 B14R0.179 CCCCOC(=O)CSCCCCCO 62a_100000211628_100000746330 [2,0,0,0,0,0|2,0,0]=4 2343 B14R0.179 CCCCOC(=O)CSCCCCCO 62a_100000746330_100000211628 [2,0,0,0,0,0|2,0,0]=4 2344 B14R0.179 CCCCOC(=O)CSCCCCOC 62a_100000211628_100000730899 [2,0,0,0,0,0|2,0,0]=4 2345 B14R0.179 CCCCOC(=O)CSCCCCOC 62a_100000730899_100000211628 [2,0,0,0,0,0|2,0,0]=4 2346 B14R0.179 CCCCOC(=O)CSCCCOCC 62a_100000211628_100012232248 [2,0,0,0,0,0|2,0,0]=4 2347 B14R0.179 CCCCOC(=O)CSCCCOCC 62a_100012232248_100000211628 [2,0,0,0,0,0|2,0,0]=4 2348 B14R0.179 CCCCOC(=O)CSCCOCCC 62a_100000211628_100011215938 [2,0,0,0,0,0|2,0,0]=4 2349 B14R0.179 CCCCOC(=O)CSCCOCCC 62a_100011215938_100000211628 [2,0,0,0,0,0|2,0,0]=4 2350 B14R0.179 CCCCOCSCC(=O)OCCCC 62a_100000211628_100011995733 [2,0,0,0,0,0|2,0,0]=4 2351 B14R0.179 CCCCOCSCC(=O)OCCCC 62a_100011995733_100000211628 [2,0,0,0,0,0|2,0,0]=4 2352 B14R0.493 C#CCCC(=O)CCCCCCCC=C 1458a_100000692101_100012355270 [2,0,0,0,0,0|0,0,2]=4 2353 B14R0.493 C#CCCC(=O)CCCCCCCC=C 1458a_100011216160_100000753159 [2,0,0,0,0,0|0,0,2]=4 2354 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000087357_100000210211 [2,0,0,0,0,0|0,0,2]=4 2355 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000210183_100153394163 [2,0,0,0,0,0|0,0,2]=4 2356 B14R0.493 C=CCCCCCCCC(=O)C#CCC 1458a_100011827653_100012355270 [2,0,0,0,0,0|0,0,2]=4 2357 B14R0.493 C=CCCCCCCCC(=O)C/C=C/C 1458a_100011216160_100102629194 [2,0,0,0,0,0|0,0,2]=4 2358 B14R0.493 C=CCCCCCCCC(=O)C=CCC 1458a_100000212282_100012355270 [2,0,0,0,0,0|0,0,2]=4 2359 B14R0.493 C=CCCCCCCCC(=O)CC#CC 1458a_100011216160_100000748600 [2,0,0,0,0,0|0,0,2]=4 2360 B14R0.493 C=CCCCCCCCC(=O)CC=CC 1458a_100011216160_100000070051 [2,0,0,0,0,0|0,0,2]=4 2361 B14R0.493 C=CCCCCCCCC(=O)CC=CC 1458a_100121576822_100012355270 [2,0,0,0,0,0|0,0,2]=4 2362 B14R0.493 C=CCCCCCCCC(=O)CCC#N 1458a_100011216160_100011215226 [2,0,0,0,0,0|1,0,1]=4 2363 B14R0.493 C=CCCCCCCCC(=O)CCC#N 1458a_100011934036_100012355270 [2,0,0,0,0,0|1,0,1]=4 2364 B14R0.493 C=CCCCCCCCC(=O)CCC=C 1458a_100000749702_100012355270 [2,0,0,0,0,0|0,0,2]=4 2365 B14R0.493 C=CCCCCCCCC(=O)CCC=C 1458a_100011216160_100000754431 [2,0,0,0,0,0|0,0,2]=4 2366 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100000210183_100012355270 [2,0,0,0,0,0|0,0,0]=2 2367 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100011216160_100000210211 [2,0,0,0,0,0|0,0,0]=2 2368 B14R0.493 C=CCCCCCCCC(=O)CCCF 1458a_100011216160_100011934791 [2,0,0,0,0,0|1,0,0]=3 2369 B14R0.493 C=CCCCCCCCC(=O)CCCO 1458a_100011216160_100011215043 [2,0,0,0,0,0|1,0,0]=3 2370 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100000749529_100012355270 [2,0,0,0,0,0|1,0,0]=3 2371 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100011216160_100000233755 [2,0,0,0,0,0|1,0,0]=3 2372 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100000174002_100012355270 [2,0,0,0,0,0|1,0,0]=3 2373 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100011216160_100000751147 [2,0,0,0,0,0|1,0,0]=3 2374 B14R0.493 C=CCCCCCCCC(=O)COCC 1458a_100000211967_100012355270 [2,0,0,0,0,0|1,0,0]=3 2375 B14R0.493 C=CCCCCCCCC(=O)CSCC 1458a_100000230394_100012355270 [2,0,0,0,0,0|1,0,0]=3 2376 B14R0.493 C=CCCCCCCCC(=O)NCCC 11a_100020643023_100011216160 [2,0,0,0,0,0|1,0,0]=3 2377 B14R0.493 C=CCCCCCCCC(=O)NCCC 1626a_100020643023_100011216160 [2,0,0,0,0,0|1,0,0]=3 2378 B14R0.493 C=CCCCCCCCC(=O)NCCC 240690a_100020643023_100011216160 [2,0,0,0,0,0|1,0,0]=3 2379 B14R0.493 C=CCCCCCCCC(=O)NCCC 527a_100020643023_100011216160 [2,0,0,0,0,0|1,0,0]=3 2380 B14R0.493 C=CCCCCCCCC(=O)NCCF 11a_100000724931_100011216160 [2,0,0,0,0,0|2,0,0]=4 2381 B14R0.493 C=CCCCCCCCC(=O)NCCF 1626a_100000724931_100011216160 [2,0,0,0,0,0|2,0,0]=4 2382 B14R0.493 C=CCCCCCCCC(=O)NCCF 240690a_100000724931_100011216160 [2,0,0,0,0,0|2,0,0]=4 2383 B14R0.493 C=CCCCCCCCC(=O)NCCF 527a_100000724931_100011216160 [2,0,0,0,0,0|2,0,0]=4 2384 B14R0.493 C=CCCCCCCCC(=O)NCCO 240690a_100000210304_100011216160 [2,0,0,0,0,0|2,0,0]=4 2385 B14R0.493 C=CCCCCCCCC(=O)NCCO 527a_100000210304_100011216160 [2,0,0,0,0,0|2,0,0]=4 2386 B14R0.493 C=CCCCCCCCC(=O)NNCC 22a_100000756455_100011216160 [2,0,0,0,0,0|2,0,0]=4 2387 B14R0.493 C=CCCCCCCCN(C)CCCC 2230a_100000207549_100012355270 [2,0,0,0,0,0|2,0,0]=4 2388 B14R0.493 C=CCCCCCCCN(C)CCCC 269982a_100000207549_100012355270 [2,0,0,0,0,0|2,0,0]=4 2389 B14R0.493 C=CCCCCCNCC(=O)NCCC 2230a_100000174927_100000700193 [2,0,0,0,0,0|2,0,0]=4 2390 B14R0.493 C=CCCCCCOCC(=O)NCCC 34a_100011216702_100000183358 [2,0,0,0,0,0|2,0,0]=4 2391 B14R0.493 C=CCCCCCOCC(=O)NCCC 7a_100011216702_100000183358 [2,0,0,0,0,0|2,0,0]=4 2392 B14R0.493 C=CCCCCCOCC(=O)OCCC 34a_100011216702_200011215008 [2,0,0,0,0,0|1,0,0]=3 2393 B14R0.493 C=CCCCCCOCC(=O)OCCC 7a_100011216702_200011215008 [2,0,0,0,0,0|1,0,0]=3 2394 B14R0.493 C=CCCCCCSCC(=O)NCCC 62a_100000183358_100000700193 [2,0,0,0,0,0|2,0,0]=4 2395 B14R0.493 C=CCCCCCSCC(=O)NCCC 62a_100000700193_100000183358 [2,0,0,0,0,0|2,0,0]=4 2396 B14R0.493 C=CCCCCCSCC(=O)OCCC 62a_100000700193_200011215008 [2,0,0,0,0,0|1,0,0]=3 2397 B14R0.493 C=CCCCCCSCC(=O)OCCC 62a_200011215008_100000700193 [2,0,0,0,0,0|1,0,0]=3 2398 B14R0.493 C=CCCCCNCOC(=O)OCCC 34a_100000703577_200000139673 [2,0,0,0,0,0|2,0,0]=4 2399 B14R0.493 C=CCCCCOCOC(=O)OCCC 34a_100000766645_200000139673 [2,0,0,0,0,0|2,0,0]=4 2400 B14R0.493 C=CCCCCOCOC(=O)OCCC 7a_100000766645_200000139673 [2,0,0,0,0,0|2,0,0]=4 2401 B14R0.493 C=CCCCCSCOC(=O)OCCC 62a_100011215482_200000139673 [2,0,0,0,0,0|2,0,0]=4 2402 B14R0.493 C=CCCCNCCCC(=O)NCCC 2230a_100000700776_100011194427 [2,0,0,0,0,0|2,0,0]=4 2403 B14R0.493 C=CCCCOCCCC(=O)NCCC 7a_100000758997_100011194427 [2,0,0,0,0,0|2,0,0]=4 2404 B14R0.493 C=CCCCSCCCC(=O)NCCC 62a_100011194427_100000757094 [2,0,0,0,0,0|2,0,0]=4 2405 B14R0.493 C=CCCCSCCCC(=O)NCCC 62a_100011713584_100011194427 [2,0,0,0,0,0|2,0,0]=4 2406 B14R0.493 C=COCCCCOCC(=O)OCCC 34a_100000031558_200011215008 [2,0,0,0,0,0|2,0,0]=4 2407 B14R0.493 C=COCCCCOCC(=O)OCCC 7a_100000031558_200011215008 [2,0,0,0,0,0|2,0,0]=4 2408 B14R0.493 CCCCC(=O)CCCCCCCCO 1458a_100000210183_100000033203 [2,0,0,0,0,0|1,0,0]=3 2409 B14R0.493 CCCCC(=O)NCCCCCCCO 240690a_100011996573_100000210183 [2,0,0,0,0,0|2,0,0]=4 2410 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210670 [2,0,0,0,0,0|0,0,1]=3 2411 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210558_100000210211 [2,0,0,0,0,0|0,0,1]=3 2412 B14R0.493 CCCCCCCCCC(=O)CCCF 1458a_100000210558_100011934791 [2,0,0,0,0,0|1,0,1]=4 2413 B14R0.493 CCCCCCCCCC(=O)CCCO 1458a_100000210558_100011215043 [2,0,0,0,0,0|1,0,1]=4 2414 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000210558_100000233755 [2,0,0,0,0,0|1,0,1]=4 2415 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210670 [2,0,0,0,0,0|1,0,1]=4 2416 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210670 [2,0,0,0,0,0|1,0,1]=4 2417 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000210558_100000751147 [2,0,0,0,0,0|1,0,1]=4 2418 B14R0.493 CCCCCCCCCC(=O)COCC 1458a_100000211967_100000210670 [2,0,0,0,0,0|1,0,1]=4 2419 B14R0.493 CCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210670 [2,0,0,0,0,0|1,0,1]=4 2420 B14R0.493 CCCCCCCCCC(=O)NCCC 11a_100020643023_100000210558 [2,0,0,0,0,0|1,0,1]=4 2421 B14R0.493 CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210558 [2,0,0,0,0,0|1,0,1]=4 2422 B14R0.493 CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210558 [2,0,0,0,0,0|1,0,1]=4 2423 B14R0.493 CCCCCCCCCC(=O)NCCC 527a_100020643023_100000210558 [2,0,0,0,0,0|1,0,1]=4 2424 B14R0.493 CCCCCCCCCC(=O)OCNC 2230a_106832991635_200010990708 [2,0,0,0,0,0|1,0,1]=4 2425 B14R0.493 CCCCCCCCCC(=O)OCNC 34a_100102657272_200010990708 [2,0,0,0,0,0|1,0,1]=4 2426 B14R0.493 CCCCCCCCCC(=O)OCNC 7a_106832991635_200010990708 [2,0,0,0,0,0|1,0,1]=4 2427 B14R0.493 CCCCCCCCCC(=O)OCOC 34a_100138415774_200010990708 [2,0,0,0,0,0|1,0,1]=4 2428 B14R0.493 CCCCCCCCCC(=O)OCSC 62a_200000210301_200010990708 [2,0,0,0,0,0|1,0,1]=4 2429 B14R0.493 CCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_200010990708 [2,0,0,0,0,0|1,0,1]=4 2430 B14R0.493 CCCCCCCCNC(=O)CCCC 11a_100000229939_100000210183 [2,0,0,0,0,0|1,0,1]=4 2431 B14R0.493 CCCCCCCCNC(=O)CCCC 1626a_100000229939_100000210183 [2,0,0,0,0,0|1,0,1]=4 2432 B14R0.493 CCCCCCCCNC(=O)CCCC 240690a_100000229939_100000210183 [2,0,0,0,0,0|1,0,1]=4 2433 B14R0.493 CCCCCCCCNC(=O)CCCC 527a_100000229939_100000210183 [2,0,0,0,0,0|1,0,1]=4 2434 B14R0.493 CCCCCCCNCC(=O)OCCC 2230a_100000229938_200011215008 [2,0,0,0,0,0|1,0,1]=4 2435 B14R0.493 CCCCCCCOCC(=O)OCCC 34a_100000210272_200011215008 [2,0,0,0,0,0|1,0,1]=4 2436 B14R0.493 CCCCCCCOCC(=O)OCCC 7a_100000210272_200011215008 [2,0,0,0,0,0|1,0,1]=4 2437 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_100000210614_200011215008 [2,0,0,0,0,0|1,0,1]=4 2438 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_200011215008_100000210316 [2,0,0,0,0,0|1,0,1]=4 2439 B14R0.493 CCCNC(=O)CCCCCCCCO 240690a_100020643023_100000015970 [2,0,0,0,0,0|2,0,0]=4 2440 B14R0.493 CCCOC(=O)CNCCCCCCO 2230a_100000686447_200011215008 [2,0,0,0,0,0|2,0,0]=4 2441 B14R0.493 CCCOC(=O)CNCCCCCCO 34a_100000686447_200011215008 [2,0,0,0,0,0|2,0,0]=4 2442 B14R0.493 CCCOC(=O)COCCCCCCBr 34a_100011215345_200011215008 [2,0,0,0,0,0|2,0,0]=4 2443 B14R0.493 CCCOC(=O)COCCCCCCBr 7a_100011215345_200011215008 [2,0,0,0,0,0|2,0,0]=4 2444 B14R0.493 CCCOC(=O)COCCCCCCCl 34a_100000766143_200011215008 [2,0,0,0,0,0|2,0,0]=4 2445 B14R0.493 CCCOC(=O)COCCCCCCCl 7a_100000766143_200011215008 [2,0,0,0,0,0|2,0,0]=4 2446 B14R0.493 CCCOC(=O)COCCCCCCF 34a_100000732779_200011215008 [2,0,0,0,0,0|2,0,0]=4 2447 B14R0.493 CCCOC(=O)COCCCCCCF 7a_100000732779_200011215008 [2,0,0,0,0,0|2,0,0]=4 2448 B14R0.493 CCCOC(=O)COCCCCCCN 34a_100000686447_200011215008 [2,0,0,0,0,0|2,0,0]=4 2449 B14R0.493 CCCOC(=O)CSCCCCCC=O 62a_100000139337_200011215008 [2,0,0,0,0,0|2,0,0]=4 2450 B14R0.493 CCCOC(=O)CSCCCCCC=O 62a_200011215008_100000139337 [2,0,0,0,0,0|2,0,0]=4 2451 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_100015922095_200011215008 [2,0,0,0,0,0|2,0,0]=4 2452 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_200011215008_100015922095 [2,0,0,0,0,0|2,0,0]=4 2453 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_100000766143_200011215008 [2,0,0,0,0,0|2,0,0]=4 2454 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_200011215008_100000766143 [2,0,0,0,0,0|2,0,0]=4 2455 B14R0.493 CCOCC(=O)CCCCCCCCO 1458a_100000211967_100000033203 [2,0,0,0,0,0|2,0,0]=4 2456 B14R0.493 CCSCC(=O)CCCCCCCCO 1458a_100000230394_100000033203 [2,0,0,0,0,0|2,0,0]=4 2457 B14R0.493 COCCC(=O)CCCCCCCCO 1458a_100000749529_100000033203 [2,0,0,0,0,0|2,0,0]=4 2458 B14R0.493 CSCCC(=O)CCCCCCCCO 1458a_100000174002_100000033203 [2,0,0,0,0,0|2,0,0]=4 2459 B14R0.393 C#CCC(=O)CCCCCCCCC=C 1458a_100000211349_100000184674 [2,0,0,0,0,0|0,0,2]=4 2460 B14R0.393 C#CCC(=O)CCCCCCCCC=C 1458a_100011220946_100011933949 [2,0,0,0,0,0|0,0,2]=4 2461 B14R0.393 C#CCCCCCCCCC(=O)CCC 1458a_100000029693_100000210303 [2,0,0,0,0,0|0,0,2]=4 2462 B14R0.393 C=CCCCCCCCCC(=O)C#CC 1458a_100000763181_100011933949 [2,0,0,0,0,0|0,0,2]=4 2463 B14R0.393 C=CCCCCCCCCC(=O)C=CC 1458a_100000210699_100011933949 [2,0,0,0,0,0|0,0,2]=4 2464 B14R0.393 C=CCCCCCCCCC(=O)CC#N 1458a_100000211349_100011214920 [2,0,0,0,0,0|1,0,1]=4 2465 B14R0.393 C=CCCCCCCCCC(=O)CC#N 1458a_100051588842_100011933949 [2,0,0,0,0,0|1,0,1]=4 2466 B14R0.393 C=CCCCCCCCCC(=O)CC=C 1458a_100000210193_100011933949 [2,0,0,0,0,0|0,0,2]=4 2467 B14R0.393 C=CCCCCCCCCC(=O)CC=C 1458a_100000211349_100000210623 [2,0,0,0,0,0|0,0,2]=4 2468 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [2,0,0,0,0,0|0,0,0]=2 2469 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [2,0,0,0,0,0|0,0,0]=2 2470 B14R0.393 C=CCCCCCCCCC(=O)CCF 1458a_100000211349_100011217306 [2,0,0,0,0,0|1,0,0]=3 2471 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100000211349_100000211926 [2,0,0,0,0,0|1,0,0]=3 2472 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100011216618_100011933949 [2,0,0,0,0,0|1,0,0]=3 2473 B14R0.393 C=CCCCCCCCCC(=O)COC 1458a_100000210968_100011933949 [2,0,0,0,0,0|1,0,0]=3 2474 B14R0.393 C=CCCCCCCCCC(=O)CSC 1458a_100000184570_100011933949 [2,0,0,0,0,0|1,0,0]=3 2475 B14R0.393 C=CCCCCCCCCC(=O)NCC 11a_100015525214_100000211349 [2,0,0,0,0,0|1,0,0]=3 2476 B14R0.393 C=CCCCCCCCCC(=O)NCC 240690a_100015525214_100000211349 [2,0,0,0,0,0|1,0,0]=3 2477 B14R0.393 C=CCCCCCCCCC(=O)NCC 527a_100015525214_100000211349 [2,0,0,0,0,0|1,0,0]=3 2478 B14R0.393 C=CCCCCCCCCC(=O)NNC 22a_100016993582_100000211349 [2,0,0,0,0,0|2,0,0]=4 2479 B14R0.393 C=CCCCCCCCCN(C)CCC 2230a_100000747261_100011933949 [2,0,0,0,0,0|2,0,0]=4 2480 B14R0.393 C=CCCCCCCCCN(C)CCC 269982a_100000747261_100011933949 [2,0,0,0,0,0|2,0,0]=4 2481 B14R0.393 C=CCCCCCCNCC(=O)NCC 2230a_100016988866_100011215473 [2,0,0,0,0,0|2,0,0]=4 2482 B14R0.393 C=CCCCCCCOCC(=O)CCC 7a_200011216477_100000747444 [2,0,0,0,0,0|1,0,0]=3 2483 B14R0.393 C=CCCCCCCOCC(=O)NCC 34a_200011216477_100000183381 [2,0,0,0,0,0|2,0,0]=4 2484 B14R0.393 C=CCCCCCCOCC(=O)NCC 7a_200011216477_100000183381 [2,0,0,0,0,0|2,0,0]=4 2485 B14R0.393 C=CCCCCCCOCC(=O)OCC 34a_200011216477_100000188475 [2,0,0,0,0,0|1,0,0]=3 2486 B14R0.393 C=CCCCCCCOCC(=O)OCC 7a_200011216477_100000188475 [2,0,0,0,0,0|1,0,0]=3 2487 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100000747444_100011215473 [2,0,0,0,0,0|1,0,0]=3 2488 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100011215473_100000747444 [2,0,0,0,0,0|1,0,0]=3 2489 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100000183381_100011215473 [2,0,0,0,0,0|2,0,0]=4 2490 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100011215473_100000183381 [2,0,0,0,0,0|2,0,0]=4 2491 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100000188475_100011215473 [2,0,0,0,0,0|1,0,0]=3 2492 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100011215473_100000188475 [2,0,0,0,0,0|1,0,0]=3 2493 B14R0.393 C=CCCCCCNCCC(=O)NCC 34a_100025743525_100000700193 [2,0,0,0,0,0|2,0,0]=4 2494 B14R0.393 C=CCCCCCOCCC(=O)NCC 7a_100011216702_100000737597 [2,0,0,0,0,0|2,0,0]=4 2495 B14R0.393 C=CCCCCCOCCC(=O)OCC 34a_100011216702_100000765890 [2,0,0,0,0,0|1,0,0]=3 2496 B14R0.393 C=CCCCCCOCCC(=O)OCC 7a_100011216702_100011206558 [2,0,0,0,0,0|1,0,0]=3 2497 B14R0.393 C=CCCCCCOCOC(=O)CCC 34a_100011216702_100000034017 [2,0,0,0,0,0|2,0,0]=4 2498 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000700193_100000737597 [2,0,0,0,0,0|2,0,0]=4 2499 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000737597_100000700193 [2,0,0,0,0,0|2,0,0]=4 2500 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000700193_100000765890 [2,0,0,0,0,0|1,0,0]=3 2501 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000765890_100000700193 [2,0,0,0,0,0|1,0,0]=3 2502 B14R0.393 C=CCCCCCSCOC(=O)CCC 62a_100000700193_100000034017 [2,0,0,0,0,0|2,0,0]=4 2503 B14R0.393 C=CCCCCCSCOC(=O)OCC 62a_100000700193_100000075025 [2,0,0,0,0,0|2,0,0]=4 2504 B14R0.393 C=CCCCCNCCCC(=O)OCC 2230a_100000703577_100009991533 [2,0,0,0,0,0|1,0,0]=3 2505 B14R0.393 C=CCCCCNCCCC(=O)OCC 34a_100000703577_100009991533 [2,0,0,0,0,0|1,0,0]=3 2506 B14R0.393 C=CCCCCOCCCC(=O)OCC 34a_100000766645_100009991533 [2,0,0,0,0,0|1,0,0]=3 2507 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100000766645_100011215271 [2,0,0,0,0,0|1,0,0]=3 2508 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100012001163_100011215482 [2,0,0,0,0,0|1,0,0]=3 2509 B14R0.393 C=CCCCCOCCNC(=O)OCC 34a_100000158857_100011215482 [2,0,0,0,0,0|2,0,0]=4 2510 B14R0.393 C=CCCCCOCCNC(=O)OCC 7a_100000766645_200011445536 [2,0,0,0,0,0|2,0,0]=4 2511 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100009991533_100011215482 [2,0,0,0,0,0|1,0,0]=3 2512 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100011215482_100009991533 [2,0,0,0,0,0|1,0,0]=3 2513 B14R0.393 C=CCCCCSCCNC(=O)OCC 62a_100011215482_200011445536 [2,0,0,0,0,0|2,0,0]=4 2514 B14R0.393 C=CCCCNCCCCC(=O)OCC 2230a_100000700776_100000750268 [2,0,0,0,0,0|1,0,0]=3 2515 B14R0.393 C=CCCCNCCCCC(=O)OCC 34a_100000700776_100000750268 [2,0,0,0,0,0|1,0,0]=3 2516 B14R0.393 C=CCCCNCCOCC(=O)OCC 2230a_100000700776_100000088970 [2,0,0,0,0,0|2,0,0]=4 2517 B14R0.393 C=CCCCNCCOCC(=O)OCC 34a_100000700776_100000088970 [2,0,0,0,0,0|2,0,0]=4 2518 B14R0.393 C=CCCCOCCCCC(=O)OCC 34a_100000758997_100000750268 [2,0,0,0,0,0|1,0,0]=3 2519 B14R0.393 C=CCCCOCCCCC(=O)OCC 7a_100000758997_100000750268 [2,0,0,0,0,0|1,0,0]=3 2520 B14R0.393 C=CCCCOCCOCC(=O)OCC 34a_100000758997_100000088970 [2,0,0,0,0,0|2,0,0]=4 2521 B14R0.393 C=CCCCOCCOCC(=O)OCC 7a_100000758997_100000088970 [2,0,0,0,0,0|2,0,0]=4 2522 B14R0.393 C=CCCCOCCSCC(=O)OCC 7a_200000230590_100000757094 [2,0,0,0,0,0|2,0,0]=4 2523 B14R0.393 C=CCCCSCCCCC(=O)OCC 62a_100000750268_100000757094 [2,0,0,0,0,0|1,0,0]=3 2524 B14R0.393 C=CCCCSCCCCC(=O)OCC 62a_100011713584_100000750268 [2,0,0,0,0,0|1,0,0]=3 2525 B14R0.393 C=CCCCSCCOCC(=O)OCC 62a_100000088970_100000757094 [2,0,0,0,0,0|2,0,0]=4 2526 B14R0.393 C=CCCCSCCOCC(=O)OCC 62a_100011713584_100000088970 [2,0,0,0,0,0|2,0,0]=4 2527 B14R0.393 C=CCCNCCCCCC(=O)OCC 2230a_100015191253_100000755133 [2,0,0,0,0,0|1,0,0]=3 2528 B14R0.393 C=CCCNCCCOCC(=O)OCC 2230a_100015191253_100009893628 [2,0,0,0,0,0|2,0,0]=4 2529 B14R0.393 C=CCCOCCCCCC(=O)OCC 34a_100011205117_100000755133 [2,0,0,0,0,0|1,0,0]=3 2530 B14R0.393 C=CCCOCCCCCC(=O)OCC 7a_100011214988_100000754431 [2,0,0,0,0,0|1,0,0]=3 2531 B14R0.393 C=CCCOCCCOCC(=O)OCC 34a_100011205117_100009893628 [2,0,0,0,0,0|2,0,0]=4 2532 B14R0.393 C=CCCSCCCCCC(=O)OCC 62a_100000754431_100000755133 [2,0,0,0,0,0|1,0,0]=3 2533 B14R0.393 C=CCCSCCCCCC(=O)OCC 62a_100000755133_100000754431 [2,0,0,0,0,0|1,0,0]=3 2534 B14R0.393 C=CCCSCCCOCC(=O)OCC 62a_100000754431_100009893628 [2,0,0,0,0,0|2,0,0]=4 2535 B14R0.393 C=CCCSCCCOCC(=O)OCC 62a_100009893628_100000754431 [2,0,0,0,0,0|2,0,0]=4 2536 B14R0.393 C=CCNCCCCCCC(=O)OCC 2230a_100020586998_100009814379 [2,0,0,0,0,0|1,0,0]=3 2537 B14R0.393 C=CCOCCCCCCC(=O)OCC 34a_200000210373_100009814379 [2,0,0,0,0,0|1,0,0]=3 2538 B14R0.393 C=CCOCCOCCCC(=O)OCC 34a_100000037705_100009991533 [2,0,0,0,0,0|2,0,0]=4 2539 B14R0.393 C=CCOCCOCCCC(=O)OCC 7a_100000037705_100011215271 [2,0,0,0,0,0|2,0,0]=4 2540 B14R0.393 C=CCSCCCCCCC(=O)OCC 62a_100000210623_100009814379 [2,0,0,0,0,0|1,0,0]=3 2541 B14R0.393 C=COCCCCOCCC(=O)OCC 34a_100000031558_100000765890 [2,0,0,0,0,0|2,0,0]=4 2542 B14R0.393 C=COCCCCOCCC(=O)OCC 7a_100000031558_100011206558 [2,0,0,0,0,0|2,0,0]=4 2543 B14R0.393 C=COCCCNCCCC(=O)OCC 2230a_100000210767_100009991533 [2,0,0,0,0,0|2,0,0]=4 2544 B14R0.393 C=COCCCNCCCC(=O)OCC 34a_100000210767_100009991533 [2,0,0,0,0,0|2,0,0]=4 2545 B14R0.393 C=COCCOCCCCC(=O)OCC 34a_100000033082_100000750268 [2,0,0,0,0,0|2,0,0]=4 2546 B14R0.393 C=COCCSCCCCC(=O)OCC 62a_100000039644_100000750268 [2,0,0,0,0,0|2,0,0]=4 2547 B14R0.393 C=COCCSCCCCC(=O)OCC 62a_100000750268_100000039644 [2,0,0,0,0,0|2,0,0]=4 2548 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [2,0,0,0,0,0|1,0,1]=4 2549 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [2,0,0,0,0,0|1,0,1]=4 2550 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [2,0,0,0,0,0|0,0,2]=4 2551 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [2,0,0,0,0,0|0,0,2]=4 2552 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [2,0,0,0,0,0|1,0,1]=4 2553 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [2,0,0,0,0,0|1,0,1]=4 2554 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [2,0,0,0,0,0|1,0,1]=4 2555 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [2,0,0,0,0,0|1,0,1]=4 2556 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [2,0,0,0,0,0|1,0,1]=4 2557 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [2,0,0,0,0,0|1,0,1]=4 2558 B14R0.393 CCOC(=O)CCCCCCSCC=O 62a_200015260668_100009814379 [2,0,0,0,0,0|2,0,0]=4 2559 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_100000750268_200011292268 [2,0,0,0,0,0|2,0,0]=4 2560 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_200011292268_100000750268 [2,0,0,0,0,0|2,0,0]=4 2561 B14R0.393 CCOC(=O)CCCOCCCCC=O 7a_100012001163_100000139335 [2,0,0,0,0,0|2,0,0]=4 2562 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100000139335_100009991533 [2,0,0,0,0,0|2,0,0]=4 2563 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100009991533_100000139335 [2,0,0,0,0,0|2,0,0]=4 2564 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000139337_100000765890 [2,0,0,0,0,0|2,0,0]=4 2565 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000765890_100000139337 [2,0,0,0,0,0|2,0,0]=4 2566 B16R0.61 C=CCCCCCCCCCNC(C)CCC 2230a_100000081888_100000766640 [1,1,0,0,0,0|1,0,1]=4 2567 B16R0.61 C=CCCCCCCCCCNC(C)CCC 2230a_100000741246_100009814027 [1,1,0,0,0,0|1,0,1]=4 2568 B16R0.61 C=CCCCCCCCCCNC(C)CCC 270004a_100000081888_100000211909 [1,1,0,0,0,0|1,0,1]=4 2569 B16R0.61 C=CCCCCCCCCCNC(C)CCC 34a_100000081888_100000766640 [1,1,0,0,0,0|1,0,1]=4 2570 B16R0.61 C=CCCCCCCCCCOC(C)CCBr 34a_100012276601_100009814027 [1,1,0,0,0,0|1,0,1]=4 2571 B16R0.61 C=CCCCCCCCCCOC(C)CCC 34a_100000038209_100000766640 [1,1,0,0,0,0|0,0,1]=3 2572 B16R0.61 C=CCCCCCCCCCOC(C)CCC 34a_100000764384_100009814027 [1,1,0,0,0,0|0,0,1]=3 2573 B16R0.61 C=CCCCCCCCCCOC(C)CCC 7a_100000038209_100000766640 [1,1,0,0,0,0|0,0,1]=3 2574 B16R0.61 C=CCCCCCCCCCOC(C)CCC 7a_100000764384_100009814027 [1,1,0,0,0,0|0,0,1]=3 2575 B16R0.61 C=CCCCCCCCCCOC(C)CCO 34a_100000038209_100009893172 [1,1,0,0,0,0|1,0,1]=4 2576 B16R0.61 C=CCCCCCCCCCOC(C)CCO 7a_100000038209_100009893172 [1,1,0,0,0,0|1,0,1]=4 2577 B16R0.61 C=CCCCCCCCCCOC(C)COC 34a_100000038209_100000765312 [1,1,0,0,0,0|1,0,1]=4 2578 B16R0.61 C=CCCCCCCCCCOC(C)COC 7a_100000038209_100000765312 [1,1,0,0,0,0|1,0,1]=4 2579 B16R0.61 C=CCCCCCCCCCO[C@H](C)COC 34a_100011934205_100009814027 [1,1,0,0,0,0|1,0,1]=4 2580 B16R0.61 C=CCCCCCCCCOCC(C)CCC 34a_100000688023_100011933949 [1,1,0,0,0,0|2,0,0]=4 2581 B16R0.61 C=CCCCCCCCCOCC(C)CCC 34a_100011215194_100011216630 [1,1,0,0,0,0|2,0,0]=4 2582 B16R0.61 C=CCCCCCCCCOCC(C)CCC 7a_100000688023_100011933949 [1,1,0,0,0,0|2,0,0]=4 2583 B16R0.61 C=CCCCCCCCCOCC(C)CCC 7a_100011215194_100011216630 [1,1,0,0,0,0|2,0,0]=4 2584 B16R0.61 C=CCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011933949 [1,1,0,0,0,0|2,0,0]=4 2585 B16R0.136 C=CCCCCCCC(=O)C/C=C/CCCC 1458a_200016282684_100011215473 [1,1,0,0,0,0|1,0,1]=4 2586 B16R0.136 C=CCCCCCCC(=O)CCOCCCC 1458a_100011809334_100000743108 [1,1,0,0,0,0|0,0,2]=4 2587 B16R0.221 C=CCCCCCCCCC=NNC(C)CC 4a_100000718999_100000039675 [1,1,0,0,0,0|2,0,0]=4 2588 B16R0.221 C=CCCCCCCCCCNCC(C)CC 2230a_100000081888_100000748023 [1,1,0,0,0,0|1,0,1]=4 2589 B16R0.221 C=CCCCCCCCCCNCC(C)CC 2230a_100020588543_100009814027 [1,1,0,0,0,0|1,0,1]=4 2590 B16R0.221 C=CCCCCCCCCCNCC(C)CC 270004a_100000081888_100000243153 [1,1,0,0,0,0|1,0,1]=4 2591 B16R0.221 C=CCCCCCCCCCNCC(C)CC 34a_100000081888_100000748023 [1,1,0,0,0,0|1,0,1]=4 2592 B16R0.221 C=CCCCCCCCCCNCC(O)CC 2230a_100000081888_100011218378 [1,1,0,0,0,0|1,0,1]=4 2593 B16R0.221 C=CCCCCCCCCCNCC(O)CC 2230a_100011218483_100009814027 [1,1,0,0,0,0|1,0,1]=4 2594 B16R0.221 C=CCCCCCCCCCNCC(O)CC 34a_100000081888_100011218378 [1,1,0,0,0,0|1,0,1]=4 2595 B16R0.221 C=CCCCCCCCCCNC[C@@H](C)CC 2230a_100000081888_100009816398 [1,1,0,0,0,0|1,0,1]=4 2596 B16R0.221 C=CCCCCCCCCCNC[C@@H](C)CC 34a_100000081888_100009816398 [1,1,0,0,0,0|1,0,1]=4 2597 B16R0.221 C=CCCCCCCCCCOCC(=O)CC 34a_100000725409_100009814027 [1,1,0,0,0,0|0,0,2]=4 2598 B16R0.221 C=CCCCCCCCCCOCC(=O)CC 7a_100000038209_100000747405 [1,1,0,0,0,0|0,0,2]=4 2599 B16R0.221 C=CCCCCCCCCCOCC(C)CC 34a_100000038209_100000748023 [1,1,0,0,0,0|0,0,1]=3 2600 B16R0.221 C=CCCCCCCCCCOCC(C)CC 7a_100000038209_100000748023 [1,1,0,0,0,0|0,0,1]=3 2601 B16R0.221 C=CCCCCCCCCCOCC(C)CN 34a_100000744482_100009814027 [1,1,0,0,0,0|1,0,1]=4 2602 B16R0.221 C=CCCCCCCCCCOCC(C)OC 34a_100000690652_100009814027 [1,1,0,0,0,0|1,0,1]=4 2603 B16R0.221 C=CCCCCCCCCCOCC(Cl)CCl 34a_100000033668_100009814027 [1,1,0,0,0,0|1,0,1]=4 2604 B16R0.221 C=CCCCCCCCCCOCC(O)CC 34a_100000038209_100011218378 [1,1,0,0,0,0|0,0,1]=3 2605 B16R0.221 C=CCCCCCCCCCOCC(O)CC 7a_100000038209_100011218378 [1,1,0,0,0,0|0,0,1]=3 2606 B16R0.221 C=CCCCCCCCCCOCC(O)CO 34a_100000038209_100011219619 [1,1,0,0,0,0|1,0,1]=4 2607 B16R0.221 C=CCCCCCCCCCOCC(O)CO 7a_100000038209_100011219619 [1,1,0,0,0,0|1,0,1]=4 2608 B16R0.221 C=CCCCCCCCCCOC[C@@H](C)CC 34a_100000038209_100009816398 [1,1,0,0,0,0|0,0,1]=3 2609 B16R0.221 C=CCCCCCCCCCOC[C@@H](C)CC 7a_100000038209_100009816398 [1,1,0,0,0,0|0,0,1]=3 2610 B16R0.221 C=CCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100009814027 [1,1,0,0,0,0|0,0,1]=3 2611 B16R0.221 C=CCCCCCCCCCOC[C@@H](C)CO 34a_100000038209_100000059175 [1,1,0,0,0,0|1,0,1]=4 2612 B16R0.221 C=CCCCCCCCCCOC[C@@H](C)CO 7a_100000038209_100000059175 [1,1,0,0,0,0|1,0,1]=4 2613 B16R0.221 C=CCCCCCCCCCOC[C@@H](O)CF 34a_100000038209_100015614560 [1,1,0,0,0,0|1,0,1]=4 2614 B16R0.221 C=CCCCCCCCCCOC[C@@H](O)CF 7a_100000038209_100015614560 [1,1,0,0,0,0|1,0,1]=4 2615 B16R0.221 C=CCCCCCCCCCOC[C@@H](O)CO 34a_100000038209_100009815848 [1,1,0,0,0,0|1,0,1]=4 2616 B16R0.221 C=CCCCCCCCCCOC[C@@H](O)CO 7a_100000038209_100009815848 [1,1,0,0,0,0|1,0,1]=4 2617 B16R0.221 C=CCCCCCCCCCOC[C@H](F)CN 34a_100015665980_100009814027 [1,1,0,0,0,0|1,0,1]=4 2618 B16R0.221 C=CCCCCCCCCCSCC(O)CC 62a_100009814027_100011218378 [1,1,0,0,0,0|0,1,1]=4 2619 B16R0.221 C=CCCCCCCCCCSCC(O)CC 62a_100011218378_100009814027 [1,1,0,0,0,0|0,1,1]=4 2620 B16R0.221 C=CCCCCCCCCNCCC(C)CC 2230a_100020591266_100011933949 [1,1,0,0,0,0|2,0,0]=4 2621 B16R0.221 C=CCCCCCCCCOCCC(C)CC 7a_100011215188_100011933949 [1,1,0,0,0,0|2,0,0]=4 2622 B16R0.274 C=CCCCCCCCCC=NNCC(C)O 4a_200000730056_100000039675 [1,1,0,0,0,0|2,0,0]=4 2623 B16R0.274 C=CCCCCCCCCCNCCC(C)C 2230a_100000081888_100000210312 [1,1,0,0,0,0|1,0,1]=4 2624 B16R0.274 C=CCCCCCCCCCNCCC(C)C 269862a_100000081888_100000185833 [1,1,0,0,0,0|1,0,1]=4 2625 B16R0.274 C=CCCCCCCCCCNCCC(C)C 34a_100000081888_100000210312 [1,1,0,0,0,0|1,0,1]=4 2626 B16R0.274 C=CCCCCCCCCCNCCC(C)O 2230a_100000081888_100012276601 [1,1,0,0,0,0|1,0,1]=4 2627 B16R0.274 C=CCCCCCCCCCNCCC(C)O 2230a_200000755665_100009814027 [1,1,0,0,0,0|1,0,1]=4 2628 B16R0.274 C=CCCCCCCCCCNCCC(C)O 34a_100000081888_100012276601 [1,1,0,0,0,0|1,0,1]=4 2629 B16R0.274 C=CCCCCCCCCCOCCC(=C)C 34a_100000038209_100000730704 [1,1,0,0,0,0|0,0,2]=4 2630 B16R0.274 C=CCCCCCCCCCOCCC(=C)C 34a_100000764851_100009814027 [1,1,0,0,0,0|0,0,2]=4 2631 B16R0.274 C=CCCCCCCCCCOCCC(=C)C 7a_100000038209_100000730704 [1,1,0,0,0,0|0,0,2]=4 2632 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 34a_100000759926_100009814027 [1,1,0,0,0,0|0,0,2]=4 2633 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000038209_100000053229 [1,1,0,0,0,0|0,0,2]=4 2634 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000759926_100009814027 [1,1,0,0,0,0|0,0,2]=4 2635 B16R0.274 C=CCCCCCCCCCOCCC(C)Br 34a_100009893172_100009814027 [1,1,0,0,0,0|0,0,1]=3 2636 B16R0.274 C=CCCCCCCCCCOCCC(C)C 34a_100000038209_100000210312 [1,1,0,0,0,0|0,0,1]=3 2637 B16R0.274 C=CCCCCCCCCCOCCC(C)C 34a_100000210254_100009814027 [1,1,0,0,0,0|0,0,1]=3 2638 B16R0.274 C=CCCCCCCCCCOCCC(C)C 7a_100000038209_100000210626 [1,1,0,0,0,0|0,0,1]=3 2639 B16R0.274 C=CCCCCCCCCCOCCC(C)C 7a_100000210254_100009814027 [1,1,0,0,0,0|0,0,1]=3 2640 B16R0.274 C=CCCCCCCCCCOCCC(C)O 34a_100000038209_100012276601 [1,1,0,0,0,0|0,0,1]=3 2641 B16R0.274 C=CCCCCCCCCCOCCC(C)O 7a_100000038209_100012276601 [1,1,0,0,0,0|0,0,1]=3 2642 B16R0.274 C=CCCCCCCCCCOCCC(F)F 34a_100103093639_100009814027 [1,1,0,0,0,0|1,0,1]=4 2643 B16R0.274 C=CCCCCCCCCCOCCN(C)C 7a_100000038209_100000755713 [1,1,0,0,0,0|1,0,1]=4 2644 B16R0.274 C=CCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100009814027 [1,1,0,0,0,0|0,0,1]=3 2645 B16R0.274 C=CCCCCCCCCCOCOC(C)C 34a_100000038209_100000709892 [1,1,0,0,0,0|1,0,1]=4 2646 B16R0.274 C=CCCCCCCCCCSCCC(C)O 62a_100009814027_100012276601 [1,1,0,0,0,0|0,1,1]=4 2647 B16R0.274 C=CCCCCCCCCCSCCC(C)O 62a_100012276601_100009814027 [1,1,0,0,0,0|0,1,1]=4 2648 B16R0.274 C=CCCCCCCCCNCCCC(C)C 2230a_200000737386_100011933949 [1,1,0,0,0,0|2,0,0]=4 2649 B16R0.274 C=CCCCCCCCCNCCCC(C)C 34a_200000737386_100011933949 [1,1,0,0,0,0|2,0,0]=4 2650 B16R0.274 C=CCCCCCCCCOCCCC(C)C 34a_100000210774_100011933949 [1,1,0,0,0,0|2,0,0]=4 2651 B16R0.274 C=CCCCCCCCCOCCCC(C)C 34a_100011215194_100011214892 [1,1,0,0,0,0|2,0,0]=4 2652 B16R0.274 C=CCCCCCCCCOCCCC(C)C 7a_100000210774_100011933949 [1,1,0,0,0,0|2,0,0]=4 2653 B16R0.274 C=CCCCCCCCCOCCCC(C)C 7a_100011215194_100011214892 [1,1,0,0,0,0|2,0,0]=4 2654 B16R0.274 C=CCCCCCCCCOCCCC(C)O 34a_100011215194_200000718107 [1,1,0,0,0,0|2,0,0]=4 2655 B16R0.274 C=CCCCCCCCCOCCCC(C)O 7a_100011215194_200000718107 [1,1,0,0,0,0|2,0,0]=4 2656 B16R0.274 C=CCCCCCCCCSCCCC(C)O 62a_100011933949_200000718107 [1,1,0,0,0,0|2,0,0]=4 2657 B16R0.274 C=CCCCCCCCCSCCCC(C)O 62a_200000718107_100011933949 [1,1,0,0,0,0|2,0,0]=4 2658 B16R0.303 C#CCCCOCCCCCCCCCC=C 34a_100000038209_100000695029 [1,1,0,0,0,0|0,0,2]=4 2659 B16R0.303 C#CCCCOCCCCCCCCCC=C 34a_100000215630_100009814027 [1,1,0,0,0,0|0,0,2]=4 2660 B16R0.303 C#CCCCOCCCCCCCCCC=C 7a_100000038209_100011215417 [1,1,0,0,0,0|0,0,2]=4 2661 B16R0.303 C#CCCCOCCCCCCCCCC=C 7a_100000215630_100009814027 [1,1,0,0,0,0|0,0,2]=4 2662 B16R0.303 C=CCCCCCCCCC=NNCCCC 4a_100025702795_100000039675 [1,1,0,0,0,0|1,0,0]=3 2663 B16R0.303 C=CCCCCCCCCCCCCCNC 2230a_106832991635_102495333938 [1,1,0,0,0,0|1,0,1]=4 2664 B16R0.303 C=CCCCCCCCCCCCCCNC 34a_100102657272_102495333938 [1,1,0,0,0,0|1,0,1]=4 2665 B16R0.303 C=CCCCCCCCCCCCCCNC 7a_106832991635_102495333938 [1,1,0,0,0,0|1,0,1]=4 2666 B16R0.303 C=CCCCCCCCCCCCCCOC 34a_100138415774_102495333938 [1,1,0,0,0,0|1,0,1]=4 2667 B16R0.303 C=CCCCCCCCCCCCOCCC 34a_100000210258_102130925996 [1,1,0,0,0,0|1,0,1]=4 2668 B16R0.303 C=CCCCCCCCCCCNCCCC 2230a_100000102301_100011093070 [1,1,0,0,0,0|1,0,1]=4 2669 B16R0.303 C=CCCCCCCCCCCNCCCC 7a_106832991798_100011093070 [1,1,0,0,0,0|1,0,1]=4 2670 B16R0.303 C=CCCCCCCCCCCOCCCBr 34a_100011217188_100011093070 [1,1,0,0,0,0|1,0,1]=4 2671 B16R0.303 C=CCCCCCCCCCCOCCCC 34a_100000210227_100011093070 [1,1,0,0,0,0|0,0,1]=3 2672 B16R0.303 C=CCCCCCCCCCCOCCCC 7a_100000210227_100011093070 [1,1,0,0,0,0|0,0,1]=3 2673 B16R0.303 C=CCCCCCCCCCCOCCCCl 34a_100000230001_100011093070 [1,1,0,0,0,0|1,0,1]=4 2674 B16R0.303 C=CCCCCCCCCCCOCCCF 34a_100000759539_100011093070 [1,1,0,0,0,0|1,0,1]=4 2675 B16R0.303 C=CCCCCCCCCCCOCCCN 34a_100000182051_100011093070 [1,1,0,0,0,0|1,0,1]=4 2676 B16R0.303 C=CCCCCCCCCCCOCCOC 34a_100000210237_100011093070 [1,1,0,0,0,0|1,0,1]=4 2677 B16R0.303 C=CCCCCCCCCCCOCCSC 34a_100000230434_100011093070 [1,1,0,0,0,0|1,0,1]=4 2678 B16R0.303 C=CCCCCCCCCCCOCCSC 7a_100000230434_100011093070 [1,1,0,0,0,0|1,0,1]=4 2679 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000081888_100000210326 [1,1,0,0,0,0|1,0,1]=4 2680 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000209983_100009814027 [1,1,0,0,0,0|1,0,1]=4 2681 B16R0.303 C=CCCCCCCCCCNCCCCC 34a_100000081888_100000718602 [1,1,0,0,0,0|1,0,1]=4 2682 B16R0.303 C=CCCCCCCCCCNCCCCF 2230a_100000081888_100000729493 [1,1,0,0,0,0|1,0,1]=4 2683 B16R0.303 C=CCCCCCCCCCNCCCCF 34a_100000081888_100000729493 [1,1,0,0,0,0|1,0,1]=4 2684 B16R0.303 C=CCCCCCCCCCNCCCCO 2230a_100000081888_100000210776 [1,1,0,0,0,0|1,0,1]=4 2685 B16R0.303 C=CCCCCCCCCCNCCCCO 2230a_100000750430_100009814027 [1,1,0,0,0,0|1,0,1]=4 2686 B16R0.303 C=CCCCCCCCCCNCCCCO 34a_100000081888_100011216708 [1,1,0,0,0,0|1,0,1]=4 2687 B16R0.303 C=CCCCCCCCCCNCCCCO 34a_100000750430_100009814027 [1,1,0,0,0,0|1,0,1]=4 2688 B16R0.303 C=CCCCCCCCCCNCCCOC 2230a_100000081888_100000740836 [1,1,0,0,0,0|1,0,1]=4 2689 B16R0.303 C=CCCCCCCCCCNCCCOC 34a_100000081888_100000740836 [1,1,0,0,0,0|1,0,1]=4 2690 B16R0.303 C=CCCCCCCCCCNCCCOC 34a_100150723488_100009814027 [1,1,0,0,0,0|1,0,1]=4 2691 B16R0.303 C=CCCCCCCCCCNCCCSC 2230a_100000749238_100009814027 [1,1,0,0,0,0|1,0,1]=4 2692 B16R0.303 C=CCCCCCCCCCNCCOCC 2230a_100000081888_100011215890 [1,1,0,0,0,0|1,0,1]=4 2693 B16R0.303 C=CCCCCCCCCCNCCOCC 2230a_102516460346_100009814027 [1,1,0,0,0,0|1,0,1]=4 2694 B16R0.303 C=CCCCCCCCCCNCCOCC 34a_100000081888_100000210147 [1,1,0,0,0,0|1,0,1]=4 2695 B16R0.303 C=CCCCCCCCCCNCCOCC 34a_102516460346_100009814027 [1,1,0,0,0,0|1,0,1]=4 2696 B16R0.303 C=CCCCCCCCCCNCCSCC 2230a_100000081888_100000757381 [1,1,0,0,0,0|1,0,1]=4 2697 B16R0.303 C=CCCCCCCCCCNCCSCC 2230a_100000106463_100009814027 [1,1,0,0,0,0|1,0,1]=4 2698 B16R0.303 C=CCCCCCCCCCNCCSCC 34a_100000081888_100000757381 [1,1,0,0,0,0|1,0,1]=4 2699 B16R0.303 C=CCCCCCCCCCOC/C=C\CC 34a_100000038209_100103147603 [1,1,0,0,0,0|0,0,2]=4 2700 B16R0.303 C=CCCCCCCCCCOC/C=C\CC 34a_100016268518_100009814027 [1,1,0,0,0,0|0,0,2]=4 2701 B16R0.303 C=CCCCCCCCCCOC/C=C\CC 7a_100000038209_100103147603 [1,1,0,0,0,0|0,0,2]=4 2702 B16R0.303 C=CCCCCCCCCCOCC#CCC 34a_100000032950_100009814027 [1,1,0,0,0,0|0,0,2]=4 2703 B16R0.303 C=CCCCCCCCCCOCC#CCC 34a_100000038209_100009813939 [1,1,0,0,0,0|0,0,2]=4 2704 B16R0.303 C=CCCCCCCCCCOCC#CCC 7a_100000038209_100009813939 [1,1,0,0,0,0|0,0,2]=4 2705 B16R0.303 C=CCCCCCCCCCOCC/C=C/C 34a_100016278192_100009814027 [1,1,0,0,0,0|0,0,2]=4 2706 B16R0.303 C=CCCCCCCCCCOCCC#CC 34a_100000750427_100009814027 [1,1,0,0,0,0|0,0,2]=4 2707 B16R0.303 C=CCCCCCCCCCOCCCC#N 7a_100000038209_100000687738 [1,1,0,0,0,0|0,0,2]=4 2708 B16R0.303 C=CCCCCCCCCCOCCCC=C 34a_100000038209_100000757094 [1,1,0,0,0,0|0,0,2]=4 2709 B16R0.303 C=CCCCCCCCCCOCCCC=C 34a_100000758997_100009814027 [1,1,0,0,0,0|0,0,2]=4 2710 B16R0.303 C=CCCCCCCCCCOCCCC=C 7a_100000038209_100000757094 [1,1,0,0,0,0|0,0,2]=4 2711 B16R0.303 C=CCCCCCCCCCOCCCC=C 7a_100000758997_100009814027 [1,1,0,0,0,0|0,0,2]=4 2712 B16R0.303 C=CCCCCCCCCCOCCCC=O 7a_100000038209_200011292268 [1,1,0,0,0,0|0,0,2]=4 2713 B16R0.303 C=CCCCCCCCCCOCCCCBr 34a_100011216708_100009814027 [1,1,0,0,0,0|0,0,1]=3 2714 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000038209_100000718602 [1,1,0,0,0,0|0,0,1]=3 2715 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000210253_100009814027 [1,1,0,0,0,0|0,0,1]=3 2716 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000038209_100000210326 [1,1,0,0,0,0|0,0,1]=3 2717 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000210253_100009814027 [1,1,0,0,0,0|0,0,1]=3 2718 B16R0.303 C=CCCCCCCCCCOCCCCCl 34a_100000210776_100009814027 [1,1,0,0,0,0|0,0,1]=3 2719 B16R0.303 C=CCCCCCCCCCOCCCCCl 7a_100000210776_100009814027 [1,1,0,0,0,0|0,0,1]=3 2720 B16R0.303 C=CCCCCCCCCCOCCCCF 34a_100000038209_100000729493 [1,1,0,0,0,0|0,0,1]=3 2721 B16R0.303 C=CCCCCCCCCCOCCCCF 34a_100011995726_100009814027 [1,1,0,0,0,0|0,0,1]=3 2722 B16R0.303 C=CCCCCCCCCCOCCCCF 7a_100000038209_100000729493 [1,1,0,0,0,0|0,0,1]=3 2723 B16R0.303 C=CCCCCCCCCCOCCCCF 7a_100011995726_100009814027 [1,1,0,0,0,0|0,0,1]=3 2724 B16R0.303 C=CCCCCCCCCCOCCCCI 34a_200012148704_100009814027 [1,1,0,0,0,0|0,0,1]=3 2725 B16R0.303 C=CCCCCCCCCCOCCCCN 34a_100000750430_100009814027 [1,1,0,0,0,0|0,0,1]=3 2726 B16R0.303 C=CCCCCCCCCCOCCCCO 34a_100000038209_100011216708 [1,1,0,0,0,0|0,0,1]=3 2727 B16R0.303 C=CCCCCCCCCCOCCCCO 7a_100000038209_100000210776 [1,1,0,0,0,0|0,0,1]=3 2728 B16R0.303 C=CCCCCCCCCCOCCCNC 34a_100000213112_100009814027 [1,1,0,0,0,0|0,0,1]=3 2729 B16R0.303 C=CCCCCCCCCCOCCCOC 34a_100000038209_100000740836 [1,1,0,0,0,0|0,0,1]=3 2730 B16R0.303 C=CCCCCCCCCCOCCCOC 34a_100000740835_100009814027 [1,1,0,0,0,0|0,0,1]=3 2731 B16R0.303 C=CCCCCCCCCCOCCCOC 7a_100000038209_100000740836 [1,1,0,0,0,0|0,0,1]=3 2732 B16R0.303 C=CCCCCCCCCCOCCCSC 34a_100000690336_100009814027 [1,1,0,0,0,0|0,0,1]=3 2733 B16R0.303 C=CCCCCCCCCCOCCCSC 7a_100000690336_100009814027 [1,1,0,0,0,0|0,0,1]=3 2734 B16R0.303 C=CCCCCCCCCCOCCOCC 34a_100000038209_100000210147 [1,1,0,0,0,0|0,0,1]=3 2735 B16R0.303 C=CCCCCCCCCCOCCOCC 34a_100000210136_100009814027 [1,1,0,0,0,0|0,0,1]=3 2736 B16R0.303 C=CCCCCCCCCCOCCOCC 7a_100000038209_100011215890 [1,1,0,0,0,0|0,0,1]=3 2737 B16R0.303 C=CCCCCCCCCCOCCOCC 7a_100000210136_100009814027 [1,1,0,0,0,0|0,0,1]=3 2738 B16R0.303 C=CCCCCCCCCCOCCSCC 34a_100000038209_100000757381 [1,1,0,0,0,0|0,0,1]=3 2739 B16R0.303 C=CCCCCCCCCCOCCSCC 34a_100000212035_100009814027 [1,1,0,0,0,0|0,0,1]=3 2740 B16R0.303 C=CCCCCCCCCCOCCSCC 7a_100000038209_100000757381 [1,1,0,0,0,0|0,0,1]=3 2741 B16R0.303 C=CCCCCCCCCCOCCSCC 7a_100000212035_100009814027 [1,1,0,0,0,0|0,0,1]=3 2742 B16R0.303 C=CCCCCCCCCCSCCCCF 62a_100000729493_100009814027 [1,1,0,0,0,0|0,1,1]=4 2743 B16R0.303 C=CCCCCCCCCCSCCCCF 62a_100009814027_100000729493 [1,1,0,0,0,0|0,1,1]=4 2744 B16R0.303 C=CCCCCCCCCCSCCCCO 62a_100000210776_100009814027 [1,1,0,0,0,0|0,1,1]=4 2745 B16R0.303 C=CCCCCCCCCCSCCCCO 62a_100009814027_100000210776 [1,1,0,0,0,0|0,1,1]=4 2746 B16R0.303 C=CCCCCCCCCCSCCCOC 62a_100000709357_100009814027 [1,1,0,0,0,0|0,1,1]=4 2747 B16R0.303 C=CCCCCCCCCCSCCCOC 62a_100009814027_100000709357 [1,1,0,0,0,0|0,1,1]=4 2748 B16R0.303 C=CCCCCCCCCCSCCOCC 62a_100000210147_100009814027 [1,1,0,0,0,0|0,1,1]=4 2749 B16R0.303 C=CCCCCCCCCCSCCOCC 62a_100009814027_100011215890 [1,1,0,0,0,0|0,1,1]=4 2750 B16R0.303 C=CCCCCCCCCCSCCSCC 62a_100000757381_100009814027 [1,1,0,0,0,0|0,1,1]=4 2751 B16R0.303 C=CCCCCCCCCCSCCSCC 62a_100009814027_100000757381 [1,1,0,0,0,0|0,1,1]=4 2752 B16R0.303 C=CCCCCCCCCNCCCCCC 2230a_100000210581_100011933949 [1,1,0,0,0,0|1,0,1]=4 2753 B16R0.303 C=CCCCCCCCCNCCCCCO 2230a_100000762737_100011933949 [1,1,0,0,0,0|2,0,0]=4 2754 B16R0.303 C=CCCCCCCCCNCCCCCO 34a_100000762737_100011933949 [1,1,0,0,0,0|2,0,0]=4 2755 B16R0.303 C=CCCCCCCCCNCCCOCC 2230a_100000210961_100011933949 [1,1,0,0,0,0|2,0,0]=4 2756 B16R0.303 C=CCCCCCCCCNCCCOCC 34a_100000210961_100011933949 [1,1,0,0,0,0|2,0,0]=4 2757 B16R0.303 C=CCCCCCCCCNCCOCCC 2230a_100161115042_100011933949 [1,1,0,0,0,0|2,0,0]=4 2758 B16R0.303 C=CCCCCCCCCNCCOCCC 34a_100161115042_100011933949 [1,1,0,0,0,0|2,0,0]=4 2759 B16R0.303 C=CCCCCCCCCNCCSCCC 2230a_100020603323_100011933949 [1,1,0,0,0,0|2,0,0]=4 2760 B16R0.303 C=CCCCCCCCCOCCCCCBr 34a_100000746331_100011933949 [1,1,0,0,0,0|2,0,0]=4 2761 B16R0.303 C=CCCCCCCCCOCCCCCBr 7a_100000746331_100011933949 [1,1,0,0,0,0|2,0,0]=4 2762 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100000210259_100011933949 [1,1,0,0,0,0|1,0,1]=4 2763 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100011215194_100000210314 [1,1,0,0,0,0|1,0,1]=4 2764 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100000210259_100011933949 [1,1,0,0,0,0|1,0,1]=4 2765 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100011215194_100000210314 [1,1,0,0,0,0|1,0,1]=4 2766 B16R0.303 C=CCCCCCCCCOCCCCCCl 34a_100000746330_100011933949 [1,1,0,0,0,0|2,0,0]=4 2767 B16R0.303 C=CCCCCCCCCOCCCCCCl 7a_100000746330_100011933949 [1,1,0,0,0,0|2,0,0]=4 2768 B16R0.303 C=CCCCCCCCCOCCCCCF 34a_100011215194_100000729378 [1,1,0,0,0,0|2,0,0]=4 2769 B16R0.303 C=CCCCCCCCCOCCCCCF 7a_100011215194_100000729378 [1,1,0,0,0,0|2,0,0]=4 2770 B16R0.303 C=CCCCCCCCCOCCCCCI 34a_200012148887_100011933949 [1,1,0,0,0,0|2,0,0]=4 2771 B16R0.303 C=CCCCCCCCCOCCCCCI 7a_200012148887_100011933949 [1,1,0,0,0,0|2,0,0]=4 2772 B16R0.303 C=CCCCCCCCCOCCCCCN 34a_100000762737_100011933949 [1,1,0,0,0,0|2,0,0]=4 2773 B16R0.303 C=CCCCCCCCCOCCCCCO 34a_100011215194_100000746330 [1,1,0,0,0,0|2,0,0]=4 2774 B16R0.303 C=CCCCCCCCCOCCCCCO 7a_100011215194_100000746330 [1,1,0,0,0,0|2,0,0]=4 2775 B16R0.303 C=CCCCCCCCCOCCCCOC 34a_100000740925_100011933949 [1,1,0,0,0,0|2,0,0]=4 2776 B16R0.303 C=CCCCCCCCCOCCCCOC 34a_100011215194_100000755781 [1,1,0,0,0,0|2,0,0]=4 2777 B16R0.303 C=CCCCCCCCCOCCCCOC 7a_100011215194_100000730899 [1,1,0,0,0,0|2,0,0]=4 2778 B16R0.303 C=CCCCCCCCCOCCCCSC 34a_100011217163_100011933949 [1,1,0,0,0,0|2,0,0]=4 2779 B16R0.303 C=CCCCCCCCCOCCCCSC 7a_100011217163_100011933949 [1,1,0,0,0,0|2,0,0]=4 2780 B16R0.303 C=CCCCCCCCCOCCCOCC 34a_100000757476_100011933949 [1,1,0,0,0,0|2,0,0]=4 2781 B16R0.303 C=CCCCCCCCCOCCCOCC 34a_100011215194_100012232248 [1,1,0,0,0,0|2,0,0]=4 2782 B16R0.303 C=CCCCCCCCCOCCCOCC 7a_100000757476_100011933949 [1,1,0,0,0,0|2,0,0]=4 2783 B16R0.303 C=CCCCCCCCCOCCCOCC 7a_100011215194_100012232248 [1,1,0,0,0,0|2,0,0]=4 2784 B16R0.303 C=CCCCCCCCCOCCCSCC 34a_100011216438_100011933949 [1,1,0,0,0,0|2,0,0]=4 2785 B16R0.303 C=CCCCCCCCCOCCCSCC 7a_100011216438_100011933949 [1,1,0,0,0,0|2,0,0]=4 2786 B16R0.303 C=CCCCCCCCCOCCOCCC 34a_100000752267_100011933949 [1,1,0,0,0,0|2,0,0]=4 2787 B16R0.303 C=CCCCCCCCCOCCOCCC 34a_100011215194_100011215938 [1,1,0,0,0,0|2,0,0]=4 2788 B16R0.303 C=CCCCCCCCCOCCOCCC 7a_100000752267_100011933949 [1,1,0,0,0,0|2,0,0]=4 2789 B16R0.303 C=CCCCCCCCCOCCOCCC 7a_100011215194_100011215938 [1,1,0,0,0,0|2,0,0]=4 2790 B16R0.303 C=CCCCCCCCCOCCSCCC 34a_200000230433_100011933949 [1,1,0,0,0,0|2,0,0]=4 2791 B16R0.303 C=CCCCCCCCCOCCSCCC 7a_200000230433_100011933949 [1,1,0,0,0,0|2,0,0]=4 2792 B16R0.303 C=CCCCCCCCCOCOCCCC 34a_100011215194_100011995733 [1,1,0,0,0,0|0,0,1]=3 2793 B16R0.303 C=CCCCCCCCCSCCCCCF 62a_100000729378_100011933949 [1,1,0,0,0,0|2,0,0]=4 2794 B16R0.303 C=CCCCCCCCCSCCCCCF 62a_100011933949_100000729378 [1,1,0,0,0,0|2,0,0]=4 2795 B16R0.303 C=CCCCCCCCCSCCCCCO 62a_100000746330_100011933949 [1,1,0,0,0,0|2,0,0]=4 2796 B16R0.303 C=CCCCCCCCCSCCCCCO 62a_100011933949_100000746330 [1,1,0,0,0,0|2,0,0]=4 2797 B16R0.303 C=CCCCCCCCCSCCCCOC 62a_100000730899_100011933949 [1,1,0,0,0,0|2,0,0]=4 2798 B16R0.303 C=CCCCCCCCCSCCCCOC 62a_100011933949_100000730899 [1,1,0,0,0,0|2,0,0]=4 2799 B16R0.303 C=CCCCCCCCCSCCCOCC 62a_100011933949_100012232248 [1,1,0,0,0,0|2,0,0]=4 2800 B16R0.303 C=CCCCCCCCCSCCCOCC 62a_100012232248_100011933949 [1,1,0,0,0,0|2,0,0]=4 2801 B16R0.303 C=CCCCCCCCCSCCOCCC 62a_100011215938_100011933949 [1,1,0,0,0,0|2,0,0]=4 2802 B16R0.303 C=CCCCCCCCCSCCOCCC 62a_100011933949_100011215938 [1,1,0,0,0,0|2,0,0]=4 2803 B16R0.303 C=CCCCCCCCCSCOCCCC 62a_100011933949_100011995733 [1,1,0,0,0,0|0,0,1]=3 2804 B16R0.303 C=CCCCCCCCCSCOCCCC 62a_100011995733_100011933949 [1,1,0,0,0,0|0,0,1]=3 2805 B16R0.303 C=CCCCCCCCCSCOCCOC 62a_100000231047_100011933949 [1,1,0,0,0,0|1,0,1]=4 2806 B16R0.303 C=CCCCCCCCCSCOCCOC 62a_100011933949_100000231047 [1,1,0,0,0,0|1,0,1]=4 2807 B16R0.303 C=CCCCCCCCNCCCCCCC 2230a_100000229938_100012355270 [1,1,0,0,0,0|1,0,1]=4 2808 B16R0.303 C=CCCCCCCCNCCOCCOC 2230a_100000745349_100012355270 [1,1,0,0,0,0|1,0,1]=4 2809 B16R0.303 C=CCCCCCCCNCCOCCOC 34a_100000745349_100012355270 [1,1,0,0,0,0|1,0,1]=4 2810 B16R0.303 C=CCCCCCCCNCCSCCCC 2230a_100025743550_100012355270 [1,1,0,0,0,0|0,1,1]=4 2811 B16R0.303 C=CCCCCCCCOC/C=C/CCCC 34a_200016272032_100012355270 [1,1,0,0,0,0|1,0,0]=3 2812 B16R0.303 C=CCCCCCCCOC/C=C/CCCC 7a_200016272032_100012355270 [1,1,0,0,0,0|1,0,0]=3 2813 B16R0.303 C=CCCCCCCCOCC#CCCCC 34a_200000034558_100012355270 [1,1,0,0,0,0|1,0,1]=4 2814 B16R0.303 C=CCCCCCCCOCC#CCCCC 7a_200000034558_100012355270 [1,1,0,0,0,0|1,0,1]=4 2815 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000210272_100012355270 [1,1,0,0,0,0|1,0,1]=4 2816 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000730831_100000210614 [1,1,0,0,0,0|1,0,1]=4 2817 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000210272_100012355270 [1,1,0,0,0,0|1,0,1]=4 2818 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000730831_100000210614 [1,1,0,0,0,0|1,0,1]=4 2819 B16R0.303 C=CCCCCCCCOCCOCCCC 34a_100000210238_100012355270 [1,1,0,0,0,0|0,0,1]=3 2820 B16R0.303 C=CCCCCCCCOCCOCCCC 34a_100000730831_100000743108 [1,1,0,0,0,0|0,0,1]=3 2821 B16R0.303 C=CCCCCCCCOCCOCCCC 7a_100000210238_100012355270 [1,1,0,0,0,0|0,0,1]=3 2822 B16R0.303 C=CCCCCCCCOCCOCCCC 7a_100000730831_100000743108 [1,1,0,0,0,0|0,0,1]=3 2823 B16R0.303 C=CCCCCCCCOCCOCCNC 34a_100000228057_100012355270 [1,1,0,0,0,0|1,0,1]=4 2824 B16R0.303 C=CCCCCCCCOCCOCCOC 34a_100000730831_100000695917 [1,1,0,0,0,0|1,0,1]=4 2825 B16R0.303 C=CCCCCCCCOCCOCCOC 34a_100011215163_100012355270 [1,1,0,0,0,0|1,0,1]=4 2826 B16R0.303 C=CCCCCCCCOCCOCCOC 7a_100000730831_100000695917 [1,1,0,0,0,0|1,0,1]=4 2827 B16R0.303 C=CCCCCCCCOCCOCCOC 7a_100011215163_100012355270 [1,1,0,0,0,0|1,0,1]=4 2828 B16R0.303 C=CCCCCCCCOCCSCCCC 34a_200000230436_100012355270 [1,1,0,0,0,0|0,1,1]=4 2829 B16R0.303 C=CCCCCCCCOCCSCCCC 7a_200000230436_100012355270 [1,1,0,0,0,0|0,1,1]=4 2830 B16R0.303 C=CCCCCCCCSCCOCCCC 62a_100000743108_100012355270 [1,1,0,0,0,0|0,0,1]=3 2831 B16R0.303 C=CCCCCCCCSCCOCCCC 62a_100012355270_100000743108 [1,1,0,0,0,0|0,0,1]=3 2832 B16R0.303 C=CCCCCCCCSCCOCCOC 62a_100000695917_100012355270 [1,1,0,0,0,0|1,0,1]=4 2833 B16R0.303 C=CCCCCCCCSCCOCCOC 62a_100012355270_100000695917 [1,1,0,0,0,0|1,0,1]=4 2834 B16R0.303 C=CCCCCCCNCCCCCCCC 2230a_100000229939_100011215473 [1,1,0,0,0,0|1,0,1]=4 2835 B16R0.303 C=CCCCCCCNCCCCCCCC 34a_100000229939_100011215473 [1,1,0,0,0,0|1,0,1]=4 2836 B16R0.303 C=CCCCCCCNCCCOCCCC 2230a_200000211371_100011215473 [1,1,0,0,0,0|0,0,1]=3 2837 B16R0.303 C=CCCCCCCNCCCOCCCC 34a_200000211371_100011215473 [1,1,0,0,0,0|0,0,1]=3 2838 B16R0.303 C=CCCCCCCNCCCOCCCO 2230a_100011310245_100011215473 [1,1,0,0,0,0|1,0,1]=4 2839 B16R0.303 C=CCCCCCCNCCCOCCCO 34a_100011310245_100011215473 [1,1,0,0,0,0|1,0,1]=4 2840 B16R0.303 C=CCCCCCCNCCCOCCOC 2230a_100000206027_100011215473 [1,1,0,0,0,0|1,0,1]=4 2841 B16R0.303 C=CCCCCCCNCCCOCCOC 34a_100000206027_100011215473 [1,1,0,0,0,0|1,0,1]=4 2842 B16R0.303 C=CCCCCCCNCCOCCOCC 2230a_100102712874_100011215473 [1,1,0,0,0,0|1,0,1]=4 2843 B16R0.303 C=CCCCCCCNCCOCCOCC 34a_100102712874_100011215473 [1,1,0,0,0,0|1,0,1]=4 2844 B16R0.303 C=CCCCCCCOC/C=C/CCCCC 34a_100016258190_100011215473 [1,1,0,0,0,0|1,0,1]=4 2845 B16R0.303 C=CCCCCCCOC/C=C/CCCCC 7a_100016258190_100011215473 [1,1,0,0,0,0|1,0,1]=4 2846 B16R0.303 C=CCCCCCCOCC/C=C\CCCC 34a_200016286491_100011215473 [1,1,0,0,0,0|1,0,0]=3 2847 B16R0.303 C=CCCCCCCOCC/C=C\CCCC 7a_200016286491_100011215473 [1,1,0,0,0,0|1,0,0]=3 2848 B16R0.303 C=CCCCCCCOCCC#CCCCC 34a_100000037610_100011215473 [1,1,0,0,0,0|1,0,1]=4 2849 B16R0.303 C=CCCCCCCOCCC#CCCCC 7a_100000037610_100011215473 [1,1,0,0,0,0|1,0,1]=4 2850 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_100000210232_100011215473 [1,1,0,0,0,0|1,0,1]=4 2851 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_200011216477_100000210759 [1,1,0,0,0,0|1,0,1]=4 2852 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_100000210232_100011215473 [1,1,0,0,0,0|1,0,1]=4 2853 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_200011216477_100000210759 [1,1,0,0,0,0|1,0,1]=4 2854 B16R0.303 C=CCCCCCCOCCCOCCCC 34a_200011215613_100011215473 [1,1,0,0,0,0|0,0,1]=3 2855 B16R0.303 C=CCCCCCCOCCCOCCCC 7a_200011215613_100011215473 [1,1,0,0,0,0|0,0,1]=3 2856 B16R0.303 C=CCCCCCCOCCCOCCCN 34a_100011310245_100011215473 [1,1,0,0,0,0|1,0,1]=4 2857 B16R0.303 C=CCCCCCCOCCCOCCOC 34a_200011216477_100011216529 [1,1,0,0,0,0|1,0,1]=4 2858 B16R0.303 C=CCCCCCCOCCCOCCOC 7a_200011216477_100011216529 [1,1,0,0,0,0|1,0,1]=4 2859 B16R0.303 C=CCCCCCCOCCNCCCCC 34a_100000224656_100011215473 [1,1,0,0,0,0|2,0,0]=4 2860 B16R0.303 C=CCCCCCCOCCOCCCCC 34a_100011215259_100011215473 [1,1,0,0,0,0|1,0,1]=4 2861 B16R0.303 C=CCCCCCCOCCOCCCCC 7a_100011215259_100011215473 [1,1,0,0,0,0|1,0,1]=4 2862 B16R0.303 C=CCCCCCCOCCOCCOCC 34a_100000210240_100011215473 [1,1,0,0,0,0|1,0,1]=4 2863 B16R0.303 C=CCCCCCCOCCOCCOCC 34a_200011216477_100011211534 [1,1,0,0,0,0|1,0,1]=4 2864 B16R0.303 C=CCCCCCCOCCOCCOCC 7a_100000210240_100011215473 [1,1,0,0,0,0|1,0,1]=4 2865 B16R0.303 C=CCCCCCCOCCOCCOCC 7a_200011216477_100011211534 [1,1,0,0,0,0|1,0,1]=4 2866 B16R0.303 C=CCCCCCCSCCCOCCOC 62a_100011215473_100011216529 [1,1,0,0,0,0|1,0,1]=4 2867 B16R0.303 C=CCCCCCCSCCCOCCOC 62a_100011216529_100011215473 [1,1,0,0,0,0|1,0,1]=4 2868 B16R0.303 C=CCCCCCCSCCOCCOCC 62a_100011211534_100011215473 [1,1,0,0,0,0|1,0,1]=4 2869 B16R0.303 C=CCCCCCCSCCOCCOCC 62a_100011215473_100011211534 [1,1,0,0,0,0|1,0,1]=4 2870 B16R0.303 C=CCCCCCNCCCCCCCCC 2230a_100000212291_100000700193 [1,1,0,0,0,0|1,0,1]=4 2871 B16R0.303 C=CCCCCCNCCCCCCCCC 34a_100000212291_100000700193 [1,1,0,0,0,0|1,0,1]=4 2872 B16R0.303 C=CCCCCCOCC/C=C\CCCCC 34a_100016277358_100000700193 [1,1,0,0,0,0|1,0,1]=4 2873 B16R0.303 C=CCCCCCOCC/C=C\CCCCC 7a_100016277358_100000700193 [1,1,0,0,0,0|1,0,1]=4 2874 B16R0.303 C=CCCCCCOCCCC#CCCCC 34a_100011216702_200000047210 [1,1,0,0,0,0|1,0,1]=4 2875 B16R0.303 C=CCCCCCOCCCC#CCCCC 7a_100011216702_200000047210 [1,1,0,0,0,0|1,0,1]=4 2876 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100000210712_100000700193 [1,1,0,0,0,0|1,0,1]=4 2877 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100011216702_100011214924 [1,1,0,0,0,0|1,0,1]=4 2878 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100000210712_100000700193 [1,1,0,0,0,0|1,0,1]=4 2879 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100011216702_100000210328 [1,1,0,0,0,0|1,0,1]=4 2880 B16R0.303 C=CCCCCCOCCCCNCCCC 34a_200011216965_100000700193 [1,1,0,0,0,0|1,0,1]=4 2881 B16R0.303 C=CCCCCCOCCCCOCCCC 34a_200000760531_100000700193 [1,1,0,0,0,0|0,0,1]=3 2882 B16R0.303 C=CCCCCCOCCCCOCCCC 7a_200000760531_100000700193 [1,1,0,0,0,0|0,0,1]=3 2883 B16R0.303 C=CCCCCCOCCCOCCCOC 34a_200011215475_100000700193 [1,1,0,0,0,0|1,0,1]=4 2884 B16R0.303 C=CCCCCCOCCCOCCCOC 7a_200011215475_100000700193 [1,1,0,0,0,0|1,0,1]=4 2885 B16R0.303 C=CCCCCCSCCCC#CCCCC 62a_100000700193_200000047210 [1,1,0,0,0,0|1,0,1]=4 2886 B16R0.303 C=CCCCCCSCCCC#CCCCC 62a_200000047210_100000700193 [1,1,0,0,0,0|1,0,1]=4 2887 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000684558_100011215482 [1,1,0,0,0,0|1,0,1]=4 2888 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000703577_100000210320 [1,1,0,0,0,0|1,0,1]=4 2889 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000684558_100011215482 [1,1,0,0,0,0|1,0,1]=4 2890 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000703577_100000210320 [1,1,0,0,0,0|1,0,1]=4 2891 B16R0.303 C=CCCCCOCCC/C=C\CCCCC 34a_100020655193_100011215482 [1,1,0,0,0,0|1,0,1]=4 2892 B16R0.303 C=CCCCCOCCC/C=C\CCCCC 7a_100020655193_100011215482 [1,1,0,0,0,0|1,0,1]=4 2893 B16R0.303 C=CCCCCOCCCC/C=C/CCCC 34a_200020645093_100011215482 [1,1,0,0,0,0|1,0,0]=3 2894 B16R0.303 C=CCCCCOCCCC/C=C/CCCC 7a_200020645093_100011215482 [1,1,0,0,0,0|1,0,0]=3 2895 B16R0.303 C=CCCCCOCCCCC#CCCCC 34a_200000066234_100011215482 [1,1,0,0,0,0|1,0,1]=4 2896 B16R0.303 C=CCCCCOCCCCC#CCCCC 7a_200000066234_100011215482 [1,1,0,0,0,0|1,0,1]=4 2897 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000210711_100011215482 [1,1,0,0,0,0|1,0,1]=4 2898 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000766645_100000210320 [1,1,0,0,0,0|1,0,1]=4 2899 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000210711_100011215482 [1,1,0,0,0,0|1,0,1]=4 2900 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000766645_100000210320 [1,1,0,0,0,0|1,0,1]=4 2901 B16R0.303 C=CCCCCOCCOCCOCCCC 34a_100011215186_100011215482 [1,1,0,0,0,0|1,0,1]=4 2902 B16R0.303 C=CCCCCOCCOCCOCCCC 7a_100011215186_100011215482 [1,1,0,0,0,0|1,0,1]=4 2903 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_100000700776_100011215454 [1,1,0,0,0,0|1,0,1]=4 2904 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_200011215754_100011713584 [1,1,0,0,0,0|1,0,1]=4 2905 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_100000700776_100011215454 [1,1,0,0,0,0|1,0,1]=4 2906 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_200011215754_100000757094 [1,1,0,0,0,0|1,0,1]=4 2907 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000210809_100000757094 [1,1,0,0,0,0|1,0,1]=4 2908 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000758997_100011215454 [1,1,0,0,0,0|1,0,1]=4 2909 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000210809_100000757094 [1,1,0,0,0,0|1,0,1]=4 2910 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000758997_100011215454 [1,1,0,0,0,0|1,0,1]=4 2911 B16R0.303 C=CCCNCCCCCCC#CCCCC 2230a_100015191253_200000043322 [1,1,0,0,0,0|1,0,1]=4 2912 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100000210451_100000754431 [1,1,0,0,0,0|1,0,1]=4 2913 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100015191253_100011215052 [1,1,0,0,0,0|1,0,1]=4 2914 B16R0.303 C=CCCNCCCCCCCCCCCC 270004a_100015191253_100011218549 [1,1,0,0,0,0|1,0,1]=4 2915 B16R0.303 C=CCCNCCCCCCCCCCCC 34a_100000210451_100000754431 [1,1,0,0,0,0|1,0,1]=4 2916 B16R0.303 C=CCCOCCCCCCC#CCCCC 34a_100011205117_200000043322 [1,1,0,0,0,0|1,0,1]=4 2917 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100000210810_100000754431 [1,1,0,0,0,0|1,0,1]=4 2918 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100011205117_100000759014 [1,1,0,0,0,0|1,0,1]=4 2919 B16R0.303 C=CCCOCCCCCCCCCCCC 7a_100000210810_100000754431 [1,1,0,0,0,0|1,0,1]=4 2920 B16R0.303 C=CCCSCCCCCCC#CCCCC 62a_100000754431_200000043322 [1,1,0,0,0,0|1,0,1]=4 2921 B16R0.303 C=CCCSCCCCCCC#CCCCC 62a_200000043322_100000754431 [1,1,0,0,0,0|1,0,1]=4 2922 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100011215765_100000210623 [1,1,0,0,0,0|1,0,1]=4 2923 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100020586998_100000210684 [1,1,0,0,0,0|1,0,1]=4 2924 B16R0.303 C=CCNCCCCCCCCCCCCC 270004a_100020586998_200011215488 [1,1,0,0,0,0|1,0,1]=4 2925 B16R0.303 C=CCNCCCCCCCCCCCCC 34a_100011215765_100015514636 [1,1,0,0,0,0|1,0,1]=4 2926 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_100000185773_100015514636 [1,1,0,0,0,0|1,0,1]=4 2927 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_200000210373_100000210684 [1,1,0,0,0,0|1,0,1]=4 2928 B16R0.303 C=CCOCCCCCCCCCCCCC 7a_100000185773_100015514636 [1,1,0,0,0,0|1,0,1]=4 2929 B16R0.303 CCCC/C=C/CCCCOCCCCC=O 7a_200020645093_100000139335 [1,1,0,0,0,0|2,0,0]=4 2930 B16R0.303 CCCCOCCCCOCCCCCC=O 7a_200000760531_100000139337 [1,1,0,0,0,0|1,0,1]=4 2931 B16R0.661 C=CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100009814027 [1,1,0,0,0,0|1,0,1]=4 2932 B16R0.661 C=CCCCCCCCCCN(C)CCCC 2230a_100000207549_100009814027 [1,1,0,0,0,0|1,0,1]=4 2933 B16R0.661 C=CCCCCCCCCCN(C)CCCC 269982a_100000207549_100009814027 [1,1,0,0,0,0|1,0,1]=4 2934 B16R0.661 C=CCCCCCCCCNC(C)CCCC 2230a_100000126638_100011933949 [1,1,0,0,0,0|2,0,0]=4 2935 B16R0.661 C=CCCCCCCCCOC(C)CCCC 34a_100000687866_100011933949 [1,1,0,0,0,0|2,0,0]=4 2936 B16R0.661 C=CCCCCCCCCOC(C)CCCC 34a_100011215194_200011215066 [1,1,0,0,0,0|2,0,0]=4 2937 B16R0.661 C=CCCCCCCCCOC(C)CCCC 7a_100000687866_100011933949 [1,1,0,0,0,0|2,0,0]=4 2938 B16R0.661 C=CCCCCCCCCOC(C)CCCC 7a_100011215194_200011215066 [1,1,0,0,0,0|2,0,0]=4 2939 B16R0.6603 C=CCCCCCCCC(=O)C=CCCCC 1458a_100016266645_100012355270 [1,1,0,0,0,0|1,0,1]=4 2940 B16R0.6603 C=CCCCCCCCC(=O)COCCCC 1458a_100000757543_100012355270 [1,1,0,0,0,0|0,0,2]=4 2941 B16R0.6603 C=CCCCCCCCC(=O)COCCCC 1458a_100011216160_100011995733 [1,1,0,0,0,0|0,0,2]=4 2942 B16R0.6603 C=CCCCCCCOC(C)COCCCC 34a_100011217071_100011215473 [1,1,0,0,0,0|1,0,1]=4 2943 B16R0.6603 C=CCCCCCCOC(C)COCCCC 7a_100011217071_100011215473 [1,1,0,0,0,0|1,0,1]=4 2944 B16R0.154 C=CCCCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100012355270 [1,1,0,0,0,0|1,0,1]=4 2945 B16R0.154 C=CCCCCCCCC(=O)CC(=C)CCC 1458a_100000138376_100012355270 [1,1,0,0,0,0|1,0,1]=4 2946 B16R0.154 C=CCCCCCCCC(=O)CC(=O)CCC 1458a_100011216160_100000747444 [1,1,0,0,0,0|1,0,1]=4 2947 B16R0.154 C=CCCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100012355270 [1,1,0,0,0,0|1,0,0]=3 2948 B16R0.154 C=CCCCCCCCC(=O)CC(C)CCC 1458a_100011216160_100011216630 [1,1,0,0,0,0|1,0,0]=3 2949 B16R0.154 C=CCCCCCCCC(=O)CC(C)SCC 1458a_200011311441_100012355270 [1,1,0,0,0,0|2,0,0]=4 2950 B16R0.154 C=CCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100012355270 [1,1,0,0,0,0|2,0,0]=4 2951 B16R0.154 C=CCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100011216160 [1,1,0,0,0,0|1,0,0]=3 2952 B16R0.154 C=CCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100011216160 [1,1,0,0,0,0|1,0,0]=3 2953 B16R0.154 C=CCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100011216160 [1,1,0,0,0,0|1,0,0]=3 2954 B16R0.154 C=CCCCCCCCC(=O)NC(C)CCC 527a_100000741246_100011216160 [1,1,0,0,0,0|1,0,0]=3 2955 B16R0.154 C=CCCCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100011216160 [1,1,0,0,0,0|2,0,0]=4 2956 B16R0.154 C=CCCCCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100011216160 [1,1,0,0,0,0|2,0,0]=4 2957 B16R0.154 C=CCCCCCCCC(=O)N[C@H](C)COC 11a_100000764878_100011216160 [1,1,0,0,0,0|2,0,0]=4 2958 B16R0.154 C=CCCCCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100011216160 [1,1,0,0,0,0|2,0,0]=4 2959 B16R0.154 C=CCCCCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100011216160 [1,1,0,0,0,0|2,0,0]=4 2960 B16R0.154 C=CCCCCCCCC(=O)N[C@H](C)COC 527a_100000764878_100011216160 [1,1,0,0,0,0|2,0,0]=4 2961 B16R0.154 CCCC(C)CC(=O)CCCCCCCCO 1458a_100000748435_100000033203 [1,1,0,0,0,0|2,0,0]=4 2962 B16R0.154 CCCC(C)NC(=O)CCCCCCCCO 240690a_100000741246_100000015970 [1,1,0,0,0,0|2,0,0]=4 2963 B16R0.154 CCCCCCCCCC(=O)CC(C)CCC 1458a_100000210558_100011216630 [1,1,0,0,0,0|1,0,1]=4 2964 B16R0.154 CCCCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210670 [1,1,0,0,0,0|1,0,1]=4 2965 B16R0.154 CCCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100000210558 [1,1,0,0,0,0|1,0,1]=4 2966 B16R0.154 CCCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100000210558 [1,1,0,0,0,0|1,0,1]=4 2967 B16R0.154 CCCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100000210558 [1,1,0,0,0,0|1,0,1]=4 2968 B16R0.154 CCCCCCCCCC(=O)NC(C)CCC 527a_100000741246_100000210558 [1,1,0,0,0,0|1,0,1]=4 2969 B16R0.208 CCCCCC(O)CCCC(=O)NCCCC 1626a_100000102301_100020618878 [1,1,0,0,0,0|1,0,1]=4 2970 B16R0.208 CCCCCC(O)CCCC(=O)NCCCC 240690a_100000102301_100020618878 [1,1,0,0,0,0|1,0,1]=4 2971 B16R0.208 CCCCCC(O)CCCC(=O)NCCCC 527a_100000102301_100020618878 [1,1,0,0,0,0|1,0,1]=4 2972 B16R0.208 CCCCOC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000211628 [1,1,0,0,0,0|2,0,0]=4 2973 B16R0.297 C=CCCCCCCCC(=O)CCCC(=O)C 1458a_100011216160_100011215641 [1,1,0,0,0,0|1,0,1]=4 2974 B16R0.297 C=CCCCCCCCC(=O)CCCC(C)C 1458a_100011216160_100011214892 [1,1,0,0,0,0|1,0,0]=3 2975 B16R0.297 C=CCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100012355270 [1,1,0,0,0,0|1,0,0]=3 2976 B16R0.297 C=CCCCCCCCC(=O)CCCC(C)O 1458a_100011216160_200000718107 [1,1,0,0,0,0|1,0,0]=3 2977 B16R0.297 C=CCCCCCCCC(=O)CCCN(C)C 1458a_100011216160_100000695564 [1,1,0,0,0,0|2,0,0]=4 2978 B16R0.297 C=CCCCCCCCC(=O)CCOC(C)C 1458a_100011216160_100000211751 [1,1,0,0,0,0|2,0,0]=4 2979 B16R0.297 C=CCCCCCCCC(=O)CCSC(C)C 1458a_100011216160_100000730970 [1,1,0,0,0,0|2,0,0]=4 2980 B16R0.297 C=CCCCCCCCC(=O)COCC(C)C 1458a_100011223364_100012355270 [1,1,0,0,0,0|2,0,0]=4 2981 B16R0.297 C=CCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100011216160 [1,1,0,0,0,0|1,0,0]=3 2982 B16R0.297 C=CCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100011216160 [1,1,0,0,0,0|1,0,0]=3 2983 B16R0.297 C=CCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100011216160 [1,1,0,0,0,0|1,0,0]=3 2984 B16R0.297 C=CCCCCCCCC(=O)NCCC(C)C 527a_100000210545_100011216160 [1,1,0,0,0,0|1,0,0]=3 2985 B16R0.297 C=CCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100011216160 [1,1,0,0,0,0|1,0,0]=3 2986 B16R0.297 C=CCCCCCCCC(=O)NCCC(C)O 527a_200000755665_100011216160 [1,1,0,0,0,0|1,0,0]=3 2987 B16R0.297 C=CCCCCCCCC(=O)NCCN(C)C 240690a_100000210585_100011216160 [1,1,0,0,0,0|2,0,0]=4 2988 B16R0.297 C=CCCCCCCCC(=O)NCCN(C)C 527a_100000210585_100011216160 [1,1,0,0,0,0|2,0,0]=4 2989 B16R0.297 C=CCCCCCCCC(=O)NNCC(C)C 22a_100000696102_100011216160 [1,1,0,0,0,0|2,0,0]=4 2990 B16R0.297 C=CCCCCCCCC(=O)NNCC(C)O 22a_200000730056_100011216160 [1,1,0,0,0,0|2,0,0]=4 2991 B16R0.297 CC(C)CCCC(=O)CCCCCCCCO 1458a_100011216857_100000033203 [1,1,0,0,0,0|2,0,0]=4 2992 B16R0.297 CC(C)CCNC(=O)CCCCCCCCO 240690a_100000210545_100000015970 [1,1,0,0,0,0|2,0,0]=4 2993 B16R0.297 CC(O)CCNC(=O)CCCCCCCCO 240690a_200000755665_100000015970 [1,1,0,0,0,0|2,0,0]=4 2994 B16R0.297 CCCCCCCCCC(=O)CCCC(C)C 1458a_100000210558_100011214892 [1,1,0,0,0,0|1,0,1]=4 2995 B16R0.297 CCCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210670 [1,1,0,0,0,0|1,0,1]=4 2996 B16R0.297 CCCCCCCCCC(=O)CCCC(C)O 1458a_100000210558_200000718107 [1,1,0,0,0,0|1,0,1]=4 2997 B16R0.297 CCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000210558 [1,1,0,0,0,0|1,0,1]=4 2998 B16R0.297 CCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000210558 [1,1,0,0,0,0|1,0,1]=4 2999 B16R0.297 CCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000210558 [1,1,0,0,0,0|1,0,1]=4 3000 B16R0.297 CCCCCCCCCC(=O)NCCC(C)C 527a_100000210545_100000210558 [1,1,0,0,0,0|1,0,1]=4 3001 B16R0.297 CCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000210558 [1,1,0,0,0,0|1,0,1]=4 3002 B16R0.297 CCCCCCCCCC(=O)NCCC(C)O 527a_200000755665_100000210558 [1,1,0,0,0,0|1,0,1]=4 3003 B16R0.297 CCCCCCCCCC(=O)OCNC(C)C 2230a_100138425928_200010990708 [1,1,0,0,0,0|1,0,1]=4 3004 B16R0.297 CCCCCCCCCC(=O)OCNC(C)C 34a_100138425928_200010990708 [1,1,0,0,0,0|1,0,1]=4 3005 B16R0.297 CCCCCCCCCC(=O)OCOC(C)C 34a_100000212225_200010990708 [1,1,0,0,0,0|1,0,1]=4 3006 B16R0.297 CCCCCCCCCC(=O)OCSC(C)C 62a_100000210206_200010990708 [1,1,0,0,0,0|1,0,1]=4 3007 B16R0.299 CCCCOC(=O)COCCCC(C)CCC 34a_100011713154_100000211628 [1,1,0,0,0,0|1,0,1]=4 3008 B16R0.299 CCCCOC(=O)COCCCC(C)CCC 7a_100011713154_100000211628 [1,1,0,0,0,0|1,0,1]=4 3009 B16R0.1095 CCCCCCC(C)NCC(=O)OCCCC 2230a_100000210919_100000211628 [1,1,0,0,0,0|1,0,1]=4 3010 B16R0.1095 CCCCCCC(C)NCC(=O)OCCCC 34a_100000210919_100000211628 [1,1,0,0,0,0|1,0,1]=4 3011 B16R0.1095 CCCCCCC(C)OCC(=O)OCCCC 34a_100000210265_100000211628 [1,1,0,0,0,0|1,0,1]=4 3012 B16R0.1095 CCCCCCC(C)OCC(=O)OCCCC 7a_100000210265_100000211628 [1,1,0,0,0,0|1,0,1]=4 3013 B16R0.1095 CCCCCCC(C)SCC(=O)OCCCC 62a_100000211628_100011215978 [1,1,0,0,0,0|1,0,1]=4 3014 B16R0.1095 CCCCCCC(C)SCC(=O)OCCCC 62a_100011215978_100000211628 [1,1,0,0,0,0|1,0,1]=4 3015 B16R0.1469 CCCCOC(=O)CNCCCCCC(C)C 2230a_100011290863_100000211628 [1,1,0,0,0,0|1,0,1]=4 3016 B16R0.1469 CCCCOC(=O)CNCCCCCC(C)C 34a_100011290863_100000211628 [1,1,0,0,0,0|1,0,1]=4 3017 B16R0.1469 CCCCOC(=O)COCCCCCC(=O)N 34a_100000123541_100000211628 [1,1,0,0,0,0|2,0,0]=4 3018 B16R0.1469 CCCCOC(=O)COCCCCCC(=O)N 7a_100000123541_100000211628 [1,1,0,0,0,0|2,0,0]=4 3019 B16R0.1469 CCCCOC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000211628 [1,1,0,0,0,0|2,0,0]=4 3020 B16R0.1469 CCCCOC(=O)COCCCCCC(C)C 34a_100011995859_100000211628 [1,1,0,0,0,0|1,0,1]=4 3021 B16R0.1469 CCCCOC(=O)COCCCCCC(C)C 7a_100011995859_100000211628 [1,1,0,0,0,0|1,0,1]=4 3022 B16R0.1469 CCCCOC(=O)CSCCCCCC(=O)N 62a_100000211628_100009817443 [1,1,0,0,0,0|2,0,0]=4 3023 B16R0.1469 CCCCOC(=O)CSCCCCCC(=O)N 62a_100009817443_100000211628 [1,1,0,0,0,0|2,0,0]=4 3024 B16R0.1469 CCCCOC(=O)CSCCCCCC(C)C 62a_100000210682_100000211628 [1,1,0,0,0,0|1,0,1]=4 3025 B16R0.1469 CCCCOC(=O)CSCCCCCC(C)C 62a_100000211628_100000210682 [1,1,0,0,0,0|1,0,1]=4 3026 B16R0.4696 C=CCCCCCOC(C)C(=O)NCCCC 34a_100011216702_100000735917 [1,1,0,0,0,0|2,0,0]=4 3027 B16R0.4696 C=CCCCCCOC(C)C(=O)NCCCC 7a_100011216702_100000735917 [1,1,0,0,0,0|2,0,0]=4 3028 B16R0.4696 C=CCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100000700193 [1,1,0,0,0,0|1,0,0]=3 3029 B16R0.4696 C=CCCCCCOC(C)C(=O)OCCCC 34a_100011216702_100000759602 [1,1,0,0,0,0|1,0,0]=3 3030 B16R0.4696 C=CCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000700193 [1,1,0,0,0,0|1,0,0]=3 3031 B16R0.4696 C=CCCCCCOC(C)C(=O)OCCCC 7a_100011216702_100000759602 [1,1,0,0,0,0|1,0,0]=3 3032 B16R0.4696 C=CCCCCCSC(C)C(=O)NCCCC 62a_100000700193_100000735917 [1,1,0,0,0,0|2,0,0]=4 3033 B16R0.4696 C=CCCCCCSC(C)C(=O)NCCCC 62a_100000735917_100000700193 [1,1,0,0,0,0|2,0,0]=4 3034 B16R0.4696 C=CCCCCCSC(C)C(=O)OCCCC 62a_100000700193_100000759602 [1,1,0,0,0,0|1,0,0]=3 3035 B16R0.4696 C=CCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100000700193 [1,1,0,0,0,0|1,0,0]=3 3036 B16R0.4696 C=COCCCCOC(C)C(=O)OCCCC 34a_100000031558_100000759602 [1,1,0,0,0,0|2,0,0]=4 3037 B16R0.4696 C=COCCCCOC(C)C(=O)OCCCC 7a_100000031558_100000759602 [1,1,0,0,0,0|2,0,0]=4 3038 B16R0.4696 CCCCCCCCC(O)C(=O)CCCCC 1458a_200011995895_100000210326 [1,1,0,0,0,0|1,0,1]=4 3039 B16R0.4696 CCCCCCCCC(O)C(=O)NCCCC 240690a_100000102301_200011995895 [1,1,0,0,0,0|1,0,1]=4 3040 B16R0.4696 CCCCCCCNC(C)C(=O)OCCCC 2230a_100000229938_100000759602 [1,1,0,0,0,0|1,0,1]=4 3041 B16R0.4696 CCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100000210614 [1,1,0,0,0,0|1,0,1]=4 3042 B16R0.4696 CCCCCCCOC(C)C(=O)OCCCC 34a_100000210272_100000759602 [1,1,0,0,0,0|1,0,1]=4 3043 B16R0.4696 CCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210614 [1,1,0,0,0,0|1,0,1]=4 3044 B16R0.4696 CCCCCCCOC(C)C(=O)OCCCC 7a_100000210272_100000759602 [1,1,0,0,0,0|1,0,1]=4 3045 B16R0.4696 CCCCCCCSC(C)C(=O)OCCCC 62a_100000210614_100000759602 [1,1,0,0,0,0|1,0,1]=4 3046 B16R0.4696 CCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100000210316 [1,1,0,0,0,0|1,0,1]=4 3047 B16R0.4696 CCCCOC(=O)C(C)NCCCCCCO 2230a_100000686447_100000759602 [1,1,0,0,0,0|2,0,0]=4 3048 B16R0.4696 CCCCOC(=O)C(C)NCCCCCCO 34a_100000686447_100000759602 [1,1,0,0,0,0|2,0,0]=4 3049 B16R0.4696 CCCCOC(=O)C(C)OCCCCCC=O 7a_100000038973_100000139337 [1,1,0,0,0,0|2,0,0]=4 3050 B16R0.4696 CCCCOC(=O)C(C)OCCCCCCBr 34a_100011215345_100000759602 [1,1,0,0,0,0|2,0,0]=4 3051 B16R0.4696 CCCCOC(=O)C(C)OCCCCCCBr 7a_100011215345_100000759602 [1,1,0,0,0,0|2,0,0]=4 3052 B16R0.4696 CCCCOC(=O)C(C)OCCCCCCCl 34a_100000766143_100000759602 [1,1,0,0,0,0|2,0,0]=4 3053 B16R0.4696 CCCCOC(=O)C(C)OCCCCCCCl 7a_100000766143_100000759602 [1,1,0,0,0,0|2,0,0]=4 3054 B16R0.4696 CCCCOC(=O)C(C)OCCCCCCF 34a_100000038973_100015922095 [1,1,0,0,0,0|2,0,0]=4 3055 B16R0.4696 CCCCOC(=O)C(C)OCCCCCCF 34a_100000732779_100000759602 [1,1,0,0,0,0|2,0,0]=4 3056 B16R0.4696 CCCCOC(=O)C(C)OCCCCCCF 7a_100000038973_100015922095 [1,1,0,0,0,0|2,0,0]=4 3057 B16R0.4696 CCCCOC(=O)C(C)OCCCCCCF 7a_100000732779_100000759602 [1,1,0,0,0,0|2,0,0]=4 3058 B16R0.4696 CCCCOC(=O)C(C)OCCCCCCN 34a_100000686447_100000759602 [1,1,0,0,0,0|2,0,0]=4 3059 B16R0.4696 CCCCOC(=O)C(C)OCCCCCCO 34a_100000038973_100000766143 [1,1,0,0,0,0|2,0,0]=4 3060 B16R0.4696 CCCCOC(=O)C(C)OCCCCCCO 7a_100000038973_100000766143 [1,1,0,0,0,0|2,0,0]=4 3061 B16R0.4696 CCCCOC(=O)C(C)SCCCCCC=O 62a_100000139337_100000759602 [1,1,0,0,0,0|2,0,0]=4 3062 B16R0.4696 CCCCOC(=O)C(C)SCCCCCC=O 62a_100000759602_100000139337 [1,1,0,0,0,0|2,0,0]=4 3063 B16R0.4696 CCCCOC(=O)C(C)SCCCCCCF 62a_100000759602_100015922095 [1,1,0,0,0,0|2,0,0]=4 3064 B16R0.4696 CCCCOC(=O)C(C)SCCCCCCF 62a_100015922095_100000759602 [1,1,0,0,0,0|2,0,0]=4 3065 B16R0.4696 CCCCOC(=O)C(C)SCCCCCCO 62a_100000759602_100000766143 [1,1,0,0,0,0|2,0,0]=4 3066 B16R0.4696 CCCCOC(=O)C(C)SCCCCCCO 62a_100000766143_100000759602 [1,1,0,0,0,0|2,0,0]=4 3067 B16R0.5998 C=CCCCCCC(=O)CC(=O)CCCCC 1458a_100011934241_200012276598 [1,1,0,0,0,0|1,0,1]=4 3068 B16R0.5998 C=CCCCCCC(=O)CC(=O)NCCCC 1458a_100011934241_100000182744 [1,1,0,0,0,0|1,0,1]=4 3069 B16R0.5998 C=CCCCCCC(=O)CC(=O)OCCCC 1458a_100011934241_100000211628 [1,1,0,0,0,0|0,0,1]=3 3070 B16R0.5998 C=CCCCCCC(=O)CC(=O)OCCOC 1458a_100011934241_200000040189 [1,1,0,0,0,0|1,0,1]=4 3071 B16R0.5998 C=CCCCCCN(C)CC(=O)NCCCC 2230a_200000213093_100000700193 [1,1,0,0,0,0|2,0,0]=4 3072 B16R0.5998 C=CCCCCCN(C)CC(=O)NCCCC 269982a_200000213093_100000700193 [1,1,0,0,0,0|2,0,0]=4 3073 B16R0.5998 CCCCCCCC(=O)CC(=O)OCCCC 1458a_100000211969_100000211628 [1,1,0,0,0,0|0,0,2]=4 3074 B16R0.5998 CCCCCCCC(O)CC(=O)CCCCC 1458a_200011667753_100000210326 [1,1,0,0,0,0|1,0,1]=4 3075 B16R0.5998 CCCCCCCC(O)CC(=O)NCCCC 1626a_100000102301_200011667753 [1,1,0,0,0,0|1,0,1]=4 3076 B16R0.5998 CCCCCCCC(O)CC(=O)NCCCC 240690a_100000102301_200011667753 [1,1,0,0,0,0|1,0,1]=4 3077 B16R0.5998 CCCCCCCN(C)CC(=O)OCCCC 2230a_100000228206_100000211628 [1,1,0,0,0,0|1,0,1]=4 3078 B16R0.5998 CCCCCCCN(C)CC(=O)OCCCC 269982a_100000228206_100000211628 [1,1,0,0,0,0|1,0,1]=4 3079 B16R0.5998 CCCCOC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000211628 [1,1,0,0,0,0|1,0,1]=4 3080 B16R0.6606 C=CCCCCCCCC(=O)CCC(C)CC 1458a_100000701222_100012355270 [1,1,0,0,0,0|1,0,0]=3 3081 B16R0.6606 C=CCCCCCCCC(=O)CCN(C)CC 1458a_100000755305_100012355270 [1,1,0,0,0,0|2,0,0]=4 3082 B16R0.6606 C=CCCCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100012355270 [1,1,0,0,0,0|2,0,0]=4 3083 B16R0.6606 C=CCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100011216160 [1,1,0,0,0,0|1,0,0]=3 3084 B16R0.6606 C=CCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100011216160 [1,1,0,0,0,0|1,0,0]=3 3085 B16R0.6606 C=CCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100011216160 [1,1,0,0,0,0|1,0,0]=3 3086 B16R0.6606 C=CCCCCCCCC(=O)NCC(C)CC 527a_100020588543_100011216160 [1,1,0,0,0,0|1,0,0]=3 3087 B16R0.6606 C=CCCCCCCCC(=O)NCC(C)CO 240690a_100000744482_100011216160 [1,1,0,0,0,0|2,0,0]=4 3088 B16R0.6606 C=CCCCCCCCC(=O)NCC(C)CO 527a_100000744482_100011216160 [1,1,0,0,0,0|2,0,0]=4 3089 B16R0.6606 C=CCCCCCCCC(=O)NCC(O)CC 11a_100011218483_100011216160 [1,1,0,0,0,0|1,0,0]=3 3090 B16R0.6606 C=CCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100011216160 [1,1,0,0,0,0|1,0,0]=3 3091 B16R0.6606 C=CCCCCCCCC(=O)NCC(O)CC 527a_100011218483_100011216160 [1,1,0,0,0,0|1,0,0]=3 3092 B16R0.6606 C=CCCCCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100011216160 [1,1,0,0,0,0|2,0,0]=4 3093 B16R0.6606 C=CCCCCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100011216160 [1,1,0,0,0,0|2,0,0]=4 3094 B16R0.6606 C=CCCCCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100011216160 [1,1,0,0,0,0|2,0,0]=4 3095 B16R0.6606 C=CCCCCCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100011216160 [1,1,0,0,0,0|2,0,0]=4 3096 B16R0.6606 C=CCCCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100011216160 [1,1,0,0,0,0|2,0,0]=4 3097 B16R0.6606 C=CCCCCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100011216160 [1,1,0,0,0,0|2,0,0]=4 3098 B16R0.6606 C=CCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100011216160 [1,1,0,0,0,0|2,0,0]=4 3099 B16R0.6606 C=CCCCCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100011216160 [1,1,0,0,0,0|2,0,0]=4 3100 B16R0.6606 C=CCCCCCCCC(=O)NNC(C)CC 22a_100000718999_100011216160 [1,1,0,0,0,0|2,0,0]=4 3101 B16R0.6606 CCC(C)CCC(=O)CCCCCCCCO 1458a_100000701222_100000033203 [1,1,0,0,0,0|2,0,0]=4 3102 B16R0.6606 CCC(C)CNC(=O)CCCCCCCCO 240690a_100020588543_100000015970 [1,1,0,0,0,0|2,0,0]=4 3103 B16R0.6606 CCC(O)CNC(=O)CCCCCCCCO 240690a_100011218483_100000015970 [1,1,0,0,0,0|2,0,0]=4 3104 B16R0.6606 CCCCCCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210670 [1,1,0,0,0,0|1,0,1]=4 3105 B16R0.6606 CCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000210558 [1,1,0,0,0,0|1,0,1]=4 3106 B16R0.6606 CCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000210558 [1,1,0,0,0,0|1,0,1]=4 3107 B16R0.6606 CCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000210558 [1,1,0,0,0,0|1,0,1]=4 3108 B16R0.6606 CCCCCCCCCC(=O)NCC(C)CC 527a_100020588543_100000210558 [1,1,0,0,0,0|1,0,1]=4 3109 B16R0.6606 CCCCCCCCCC(=O)NCC(O)CC 11a_100011218483_100000210558 [1,1,0,0,0,0|1,0,1]=4 3110 B16R0.6606 CCCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100000210558 [1,1,0,0,0,0|1,0,1]=4 3111 B16R0.6606 CCCCCCCCCC(=O)NCC(O)CC 527a_100011218483_100000210558 [1,1,0,0,0,0|1,0,1]=4 3112 B16R0.6606 CCCCCCCCCC(=O)OCC(=O)CC 1458a_100000210414_200010990708 [1,1,0,0,0,0|0,0,2]=4 3113 B16R0.6606 CCCCCCCCCC(=O)OCN(C)CC 2230a_100000225621_200010990708 [1,1,0,0,0,0|1,0,1]=4 3114 B16R0.6606 CCCCCCCCCC(=O)OCN(C)CC 269982a_100000225621_200010990708 [1,1,0,0,0,0|1,0,1]=4 3115 B16R0.6607 C=CCCCCCCCC(=O)/C(=C/CCC)/C 1458a_200020648666_100012355270 [1,1,0,0,0,0|1,0,1]=4 3116 B16R0.6607 C=CCCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100012355270 [1,1,0,0,0,0|2,0,0]=4 3117 B16R0.6607 C=CCCCCCCCC(=O)C(C)CCCC 1458a_100000725509_100012355270 [1,1,0,0,0,0|1,0,0]=3 3118 B16R0.6607 C=CCCCCCCCC(=O)C(C)CCCC 1458a_100011216160_200011215066 [1,1,0,0,0,0|1,0,0]=3 3119 B16R0.6607 C=CCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100012355270 [1,1,0,0,0,0|1,0,0]=3 3120 B16R0.6607 C=CCCCCCCCC(=O)C(O)CCSC 1458a_100000685904_100012355270 [1,1,0,0,0,0|2,0,0]=4 3121 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCCC 11a_100000207549_100011216160 [1,1,0,0,0,0|1,0,0]=3 3122 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCCC 1626a_100000207549_100011216160 [1,1,0,0,0,0|1,0,0]=3 3123 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCCC 240690a_100000207549_100011216160 [1,1,0,0,0,0|1,0,0]=3 3124 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCCC 527a_100000207549_100011216160 [1,1,0,0,0,0|1,0,0]=3 3125 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCCO 240690a_100000213112_100011216160 [1,1,0,0,0,0|2,0,0]=4 3126 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCCO 527a_100000213112_100011216160 [1,1,0,0,0,0|2,0,0]=4 3127 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCOC 11a_100000743101_100011216160 [1,1,0,0,0,0|2,0,0]=4 3128 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCOC 1626a_100000743101_100011216160 [1,1,0,0,0,0|2,0,0]=4 3129 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCOC 240690a_100000743101_100011216160 [1,1,0,0,0,0|2,0,0]=4 3130 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCOC 527a_100000743101_100011216160 [1,1,0,0,0,0|2,0,0]=4 3131 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCSC 11a_100000686725_100011216160 [1,1,0,0,0,0|2,0,0]=4 3132 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCSC 1626a_100000686725_100011216160 [1,1,0,0,0,0|2,0,0]=4 3133 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCSC 240690a_100000686725_100011216160 [1,1,0,0,0,0|2,0,0]=4 3134 B16R0.6607 C=CCCCCCCCC(=O)N(C)CCSC 527a_100000686725_100011216160 [1,1,0,0,0,0|2,0,0]=4 3135 B16R0.6607 C=CCCCCCOCC(=O)N(C)CCCC 34a_100011216702_100000230175 [1,1,0,0,0,0|2,0,0]=4 3136 B16R0.6607 C=CCCCCCOCC(=O)N(C)CCCC 7a_100011216702_100000230175 [1,1,0,0,0,0|2,0,0]=4 3137 B16R0.6607 C=CCCCCCSCC(=O)N(C)CCCC 62a_100000230175_100000700193 [1,1,0,0,0,0|2,0,0]=4 3138 B16R0.6607 C=CCCCCCSCC(=O)N(C)CCCC 62a_100000700193_100000230175 [1,1,0,0,0,0|2,0,0]=4 3139 B16R0.6607 CCCCC(C)C(=O)CCCCCCCCO 1458a_100000725509_100000033203 [1,1,0,0,0,0|2,0,0]=4 3140 B16R0.6607 CCCCC(O)C(=O)CCCCCCCCO 1458a_100000720857_100000033203 [1,1,0,0,0,0|2,0,0]=4 3141 B16R0.6607 CCCCCCCCCC(=O)C(C)CCCC 1458a_100000210558_200011215066 [1,1,0,0,0,0|1,0,1]=4 3142 B16R0.6607 CCCCCCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210670 [1,1,0,0,0,0|1,0,1]=4 3143 B16R0.6607 CCCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210670 [1,1,0,0,0,0|1,0,1]=4 3144 B16R0.6607 CCCCCCCCCC(=O)N(C)CCCC 11a_100000207549_100000210558 [1,1,0,0,0,0|1,0,1]=4 3145 B16R0.6607 CCCCCCCCCC(=O)N(C)CCCC 1626a_100000207549_100000210558 [1,1,0,0,0,0|1,0,1]=4 3146 B16R0.6607 CCCCCCCCCC(=O)N(C)CCCC 240690a_100000207549_100000210558 [1,1,0,0,0,0|1,0,1]=4 3147 B16R0.6607 CCCCCCCCCC(=O)N(C)CCCC 527a_100000207549_100000210558 [1,1,0,0,0,0|1,0,1]=4 3148 B16R0.6607 CCCCN(C)C(=O)CCCCCCCCO 240690a_100000207549_100000015970 [1,1,0,0,0,0|2,0,0]=4 3149 B16R0.7 C=CC(=O)OCCCCCCC(=O)CCCC 1458a_100000210183_100009894100 [1,1,0,0,0,0|1,0,1]=4 3150 B16R0.185 C=CCCCCC(=O)CCCC(=O)NCCC 1458a_100000199544_100011215482 [1,1,0,0,0,0|1,0,1]=4 3151 B16R0.185 C=CCCCCC(=O)CCCC(=O)NCCC 1458a_100011215552_100011194427 [1,1,0,0,0,0|1,0,1]=4 3152 B16R0.185 C=CCCCCN(C)CCCC(=O)NCCC 2230a_100012000471_100011194427 [1,1,0,0,0,0|2,0,0]=4 3153 B16R0.185 C=CCCCCN(C)CCCC(=O)NCCC 269982a_100012000471_100011194427 [1,1,0,0,0,0|2,0,0]=4 3154 B16R0.789 C=CCCCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000700193 [1,1,0,0,0,0|1,0,1]=4 3155 B16R0.789 C=CCCCCCC(=O)COC(=O)OCCC 1458a_100011934241_200000139673 [1,1,0,0,0,0|1,0,1]=4 3156 B16R0.1180 C=CCCCCCCCCN(CC)CCCC 2230a_100000207695_100011933949 [1,1,0,0,0,0|2,0,0]=4 3157 B16R0.1180 C=CCCCCCCCCN(CC)CCCC 269982a_100000207695_100011933949 [1,1,0,0,0,0|2,0,0]=4 3158 B16R0.1180 C=CCCCOCCCCN(CCCC)N=O 34a_200000034022_100000757094 [1,1,0,0,0,0|2,0,0]=4 3159 B16R0.1180 C=CCCCOCCCCN(CCCC)N=O 7a_200000034022_100000757094 [1,1,0,0,0,0|2,0,0]=4 3160 B16R0.1182 C#CCCCCCCCCC(=O)CC(C)CC 1458a_100000029693_100000748023 [1,1,0,0,0,0|0,0,2]=4 3161 B16R0.1182 C#CCCCCCCCCC(=O)CC(O)CC 1458a_100000029693_100011218378 [1,1,0,0,0,0|0,0,2]=4 3162 B16R0.1182 C#CCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000029693_100009816398 [1,1,0,0,0,0|0,0,2]=4 3163 B16R0.1182 C=CCCCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100011933949 [1,1,0,0,0,0|0,0,2]=4 3164 B16R0.1182 C=CCCCCCCCCC(=O)CC(=O)CC 1458a_100000211349_100000747405 [1,1,0,0,0,0|0,0,1]=3 3165 B16R0.1182 C=CCCCCCCCCC(=O)CC(=O)NC 1458a_100000211349_100000183359 [1,1,0,0,0,0|1,0,1]=4 3166 B16R0.1182 C=CCCCCCCCCC(=O)CC(=O)OC 1458a_100000211349_100000747449 [1,1,0,0,0,0|1,0,1]=4 3167 B16R0.1182 C=CCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100011933949 [1,1,0,0,0,0|1,0,1]=4 3168 B16R0.1182 C=CCCCCCCCCC(=O)CC(C)C=C 1458a_100011934298_100011933949 [1,1,0,0,0,0|0,0,2]=4 3169 B16R0.1182 C=CCCCCCCCCC(=O)CC(C)CC 1458a_100000211349_100000748023 [1,1,0,0,0,0|0,0,0]=2 3170 B16R0.1182 C=CCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100011933949 [1,1,0,0,0,0|0,0,0]=2 3171 B16R0.1182 C=CCCCCCCCCC(=O)CC(O)CC 1458a_100000211349_100011218378 [1,1,0,0,0,0|0,0,0]=2 3172 B16R0.1182 C=CCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100011933949 [1,1,0,0,0,0|0,0,0]=2 3173 B16R0.1182 C=CCCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100011933949 [1,1,0,0,0,0|1,0,0]=3 3174 B16R0.1182 C=CCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000211349_100009816398 [1,1,0,0,0,0|0,0,0]=2 3175 B16R0.1182 C=CCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000211349_100000059175 [1,1,0,0,0,0|1,0,0]=3 3176 B16R0.1182 C=CCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000211349 [1,1,0,0,0,0|1,0,0]=3 3177 B16R0.1182 C=CCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000211349 [1,1,0,0,0,0|1,0,0]=3 3178 B16R0.1182 C=CCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000211349 [1,1,0,0,0,0|1,0,0]=3 3179 B16R0.1182 C=CCCCCCCCCC(=O)NC(C)CC 527a_100000209981_100000211349 [1,1,0,0,0,0|1,0,0]=3 3180 B16R0.1182 C=CCCCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000211349 [1,1,0,0,0,0|2,0,0]=4 3181 B16R0.1182 C=CCCCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211349 [1,1,0,0,0,0|2,0,0]=4 3182 B16R0.1182 C=CCCCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211349 [1,1,0,0,0,0|2,0,0]=4 3183 B16R0.1182 C=CCCCCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000211349 [1,1,0,0,0,0|2,0,0]=4 3184 B16R0.1182 C=CCCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211349 [1,1,0,0,0,0|2,0,0]=4 3185 B16R0.1182 C=CCCCCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000211349 [1,1,0,0,0,0|2,0,0]=4 3186 B16R0.1182 C=CCCCCCCCCN(C)CC(C)CC 2230a_100000753921_100011933949 [1,1,0,0,0,0|2,0,0]=4 3187 B16R0.1182 C=CCCCCCCCCN(C)CC(C)CC 269982a_100000753921_100011933949 [1,1,0,0,0,0|2,0,0]=4 3188 B16R0.1182 C=CCCCCCCOCC(=O)NC(C)CC 34a_200011216477_100000182745 [1,1,0,0,0,0|2,0,0]=4 3189 B16R0.1182 C=CCCCCCCOCC(=O)NC(C)CC 7a_200011216477_100000182745 [1,1,0,0,0,0|2,0,0]=4 3190 B16R0.1182 C=CCCCCCCSCC(=O)NC(C)CC 62a_100000182745_100011215473 [1,1,0,0,0,0|2,0,0]=4 3191 B16R0.1182 C=CCCCCCCSCC(=O)NC(C)CC 62a_100011215473_100000182745 [1,1,0,0,0,0|2,0,0]=4 3192 B16R0.1182 CCC(C)CC(=O)CCCCCCCCCF 1458a_200009909015_100000748023 [1,1,0,0,0,0|1,0,1]=4 3193 B16R0.1182 CCC(C)CC(=O)CCCCCCCCCO 1458a_100000708755_100009813782 [1,1,0,0,0,0|1,0,1]=4 3194 B16R0.1182 CCC(O)CC(=O)CCCCCCCCCF 1458a_200009909015_100011218378 [1,1,0,0,0,0|1,0,1]=4 3195 B16R0.1182 CCC(O)CC(=O)CCCCCCCCCO 1458a_100011667805_100009813782 [1,1,0,0,0,0|1,0,1]=4 3196 B16R0.1182 CCCCCCCCCCC(=O)CC(C)CC 1458a_100000210375_100000748023 [1,1,0,0,0,0|0,0,2]=4 3197 B16R0.1182 CCCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210319 [1,1,0,0,0,0|0,0,2]=4 3198 B16R0.1182 CCCCCCCCCCC(=O)CC(O)CC 1458a_100000210375_100011218378 [1,1,0,0,0,0|0,0,2]=4 3199 B16R0.1182 CCCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210319 [1,1,0,0,0,0|0,0,2]=4 3200 B16R0.1182 CCCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210375_100009816398 [1,1,0,0,0,0|0,0,2]=4 3201 B16R0.1182 CC[C@H](C)CC(=O)CCCCCCCCCF 1458a_200009909015_100009816398 [1,1,0,0,0,0|1,0,1]=4 3202 B16R0.1183 C#CCCCCCCCCC(=O)C(C)CCC 1458a_100000029693_100000766640 [1,1,0,0,0,0|0,0,2]=4 3203 B16R0.1183 C=CCCCCCCCCC(=O)/C(=C/CC)/C 1458a_100016988807_100011933949 [1,1,0,0,0,0|0,0,2]=4 3204 B16R0.1183 C=CCCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100011933949 [1,1,0,0,0,0|1,0,1]=4 3205 B16R0.1183 C=CCCCCCCCCC(=O)C(C)CC#N 1458a_100000211349_100009813641 [1,1,0,0,0,0|1,0,1]=4 3206 B16R0.1183 C=CCCCCCCCCC(=O)C(C)CC=C 1458a_100011216819_100011933949 [1,1,0,0,0,0|0,0,2]=4 3207 B16R0.1183 C=CCCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100011933949 [1,1,0,0,0,0|0,0,0]=2 3208 B16R0.1183 C=CCCCCCCCCC(=O)C(C)CCC 1458a_100000211349_100000766640 [1,1,0,0,0,0|0,0,0]=2 3209 B16R0.1183 C=CCCCCCCCCC(=O)C(C)CCO 1458a_100000211349_100009893172 [1,1,0,0,0,0|1,0,0]=3 3210 B16R0.1183 C=CCCCCCCCCC(=O)C(C)COC 1458a_100000211349_100000765312 [1,1,0,0,0,0|1,0,0]=3 3211 B16R0.1183 C=CCCCCCCCCC(=O)C(C)COC 1458a_100000751857_100011933949 [1,1,0,0,0,0|1,0,0]=3 3212 B16R0.1183 C=CCCCCCCCCC(=O)C(C)CSC 1458a_100000753918_100011933949 [1,1,0,0,0,0|1,0,0]=3 3213 B16R0.1183 C=CCCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100011933949 [1,1,0,0,0,0|1,0,0]=3 3214 B16R0.1183 C=CCCCCCCCCC(=O)C(C)SCC 1458a_100000230601_100011933949 [1,1,0,0,0,0|1,0,0]=3 3215 B16R0.1183 C=CCCCCCCCCC(=O)N(C)CCC 11a_100000747261_100000211349 [1,1,0,0,0,0|1,0,0]=3 3216 B16R0.1183 C=CCCCCCCCCC(=O)N(C)CCC 1626a_100000747261_100000211349 [1,1,0,0,0,0|1,0,0]=3 3217 B16R0.1183 C=CCCCCCCCCC(=O)N(C)CCC 240690a_100000747261_100000211349 [1,1,0,0,0,0|1,0,0]=3 3218 B16R0.1183 C=CCCCCCCCCC(=O)N(C)CCC 527a_100000747261_100000211349 [1,1,0,0,0,0|1,0,0]=3 3219 B16R0.1183 C=CCCCCCCCCC(=O)N(C)CCO 240690a_100000210263_100000211349 [1,1,0,0,0,0|2,0,0]=4 3220 B16R0.1183 C=CCCCCCCCCC(=O)N(C)CCO 527a_100000210263_100000211349 [1,1,0,0,0,0|2,0,0]=4 3221 B16R0.1183 C=CCCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011933949 [1,1,0,0,0,0|0,0,0]=2 3222 B16R0.1183 CCCC(C)C(=O)CCCCCCCCCF 1458a_200009909015_100000766640 [1,1,0,0,0,0|1,0,1]=4 3223 B16R0.1183 CCCC(C)C(=O)CCCCCCCCCO 1458a_100000210906_100009813782 [1,1,0,0,0,0|1,0,1]=4 3224 B16R0.1183 CCCCCCCCCCC(=O)C(C)CCC 1458a_100000210375_100000766640 [1,1,0,0,0,0|0,0,2]=4 3225 B16R0.1183 CCCCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210319 [1,1,0,0,0,0|0,0,2]=4 3226 B16R0.1183 CCCCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210319 [1,1,0,0,0,0|0,0,2]=4 3227 B16R0.1183 CCC[C@H](O)C(=O)CCCCCCCCCO 1458a_100009822183_100009813782 [1,1,0,0,0,0|1,0,1]=4 3228 B16R0.3183 C#CCCCCCCCCC(=O)CCC(C)C 1458a_100000029693_100000210312 [1,1,0,0,0,0|0,0,2]=4 3229 B16R0.3183 C#CCCCCCCCCC(=O)CCC(C)O 1458a_100000029693_100012276601 [1,1,0,0,0,0|0,0,2]=4 3230 B16R0.3183 C=CCCCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100011933949 [1,1,0,0,0,0|0,0,2]=4 3231 B16R0.3183 C=CCCCCCCCCC(=O)CC=C(C)C 1458a_100000211349_100000761012 [1,1,0,0,0,0|0,0,2]=4 3232 B16R0.3183 C=CCCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100011933949 [1,1,0,0,0,0|0,0,2]=4 3233 B16R0.3183 C=CCCCCCCCCC(=O)CCC(=C)C 1458a_100000211349_100000730704 [1,1,0,0,0,0|0,0,1]=3 3234 B16R0.3183 C=CCCCCCCCCC(=O)CCC(=C)C 1458a_200000688413_100011933949 [1,1,0,0,0,0|0,0,1]=3 3235 B16R0.3183 C=CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011933949 [1,1,0,0,0,0|1,0,1]=4 3236 B16R0.3183 C=CCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100011933949 [1,1,0,0,0,0|0,0,0]=2 3237 B16R0.3183 C=CCCCCCCCCC(=O)CCC(C)C 1458a_100000211349_100000210312 [1,1,0,0,0,0|0,0,0]=2 3238 B16R0.3183 C=CCCCCCCCCC(=O)CCC(C)O 1458a_100000211349_100012276601 [1,1,0,0,0,0|0,0,0]=2 3239 B16R0.3183 C=CCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011933949 [1,1,0,0,0,0|2,0,0]=4 3240 B16R0.3183 C=CCCCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100011933949 [1,1,0,0,0,0|1,0,0]=3 3241 B16R0.3183 C=CCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100011933949 [1,1,0,0,0,0|1,0,1]=4 3242 B16R0.3183 C=CCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011933949 [1,1,0,0,0,0|1,0,1]=4 3243 B16R0.3183 C=CCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100011933949 [1,1,0,0,0,0|1,0,0]=3 3244 B16R0.3183 C=CCCCCCCCCC(=O)COC(F)F 1458a_200000719455_100011933949 [1,1,0,0,0,0|2,0,0]=4 3245 B16R0.3183 C=CCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100011933949 [1,1,0,0,0,0|1,0,1]=4 3246 B16R0.3183 C=CCCCCCCCCC(=O)CSC(C)C 1458a_100000241585_100011933949 [1,1,0,0,0,0|1,0,0]=3 3247 B16R0.3183 C=CCCCCCCCCC(=O)CSC(F)F 1458a_114828291038_100011933949 [1,1,0,0,0,0|2,0,0]=4 3248 B16R0.3183 C=CCCCCCCCCC(=O)NCC(=C)C 11a_100000765925_100000211349 [1,1,0,0,0,0|1,0,1]=4 3249 B16R0.3183 C=CCCCCCCCCC(=O)NCC(=C)C 1626a_100000765925_100000211349 [1,1,0,0,0,0|1,0,1]=4 3250 B16R0.3183 C=CCCCCCCCCC(=O)NCC(=C)C 240690a_100000765925_100000211349 [1,1,0,0,0,0|1,0,1]=4 3251 B16R0.3183 C=CCCCCCCCCC(=O)NCC(=C)C 527a_100000765925_100000211349 [1,1,0,0,0,0|1,0,1]=4 3252 B16R0.3183 C=CCCCCCCCCC(=O)NCC(C)C 11a_100000210953_100000211349 [1,1,0,0,0,0|1,0,0]=3 3253 B16R0.3183 C=CCCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000211349 [1,1,0,0,0,0|1,0,0]=3 3254 B16R0.3183 C=CCCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000211349 [1,1,0,0,0,0|1,0,0]=3 3255 B16R0.3183 C=CCCCCCCCCC(=O)NCC(C)C 527a_100000210953_100000211349 [1,1,0,0,0,0|1,0,0]=3 3256 B16R0.3183 C=CCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000211349 [1,1,0,0,0,0|1,0,0]=3 3257 B16R0.3183 C=CCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000211349 [1,1,0,0,0,0|1,0,0]=3 3258 B16R0.3183 C=CCCCCCCCCC(=O)NCC(C)O 527a_100000210904_100000211349 [1,1,0,0,0,0|1,0,0]=3 3259 B16R0.3183 C=CCCCCCCCCC(=O)NCC(F)F 11a_100000765723_100000211349 [1,1,0,0,0,0|2,0,0]=4 3260 B16R0.3183 C=CCCCCCCCCC(=O)NCC(F)F 1626a_100000765723_100000211349 [1,1,0,0,0,0|2,0,0]=4 3261 B16R0.3183 C=CCCCCCCCCC(=O)NCC(F)F 240690a_100000765723_100000211349 [1,1,0,0,0,0|2,0,0]=4 3262 B16R0.3183 C=CCCCCCCCCC(=O)NCC(F)F 527a_100000765723_100000211349 [1,1,0,0,0,0|2,0,0]=4 3263 B16R0.3183 C=CCCCCCCCCC(=O)NNC(C)C 22a_100000741168_100000211349 [1,1,0,0,0,0|2,0,0]=4 3264 B16R0.3183 C=CCCCCCCCCN(C)CCC(C)C 2230a_100000742789_100011933949 [1,1,0,0,0,0|2,0,0]=4 3265 B16R0.3183 C=CCCCCCCCCN(C)CCC(C)C 269982a_100000742789_100011933949 [1,1,0,0,0,0|2,0,0]=4 3266 B16R0.3183 C=CCCCCCCOCC(=O)NCC(C)C 34a_200011216477_100000183291 [1,1,0,0,0,0|2,0,0]=4 3267 B16R0.3183 C=CCCCCCCOCC(=O)NCC(C)C 7a_200011216477_100000183291 [1,1,0,0,0,0|2,0,0]=4 3268 B16R0.3183 C=CCCCCCCSCC(=O)NCC(C)C 62a_100000183291_100011215473 [1,1,0,0,0,0|2,0,0]=4 3269 B16R0.3183 C=CCCCCCCSCC(=O)NCC(C)C 62a_100011215473_100000183291 [1,1,0,0,0,0|2,0,0]=4 3270 B16R0.3183 C=CCCCCNCCCC(=O)NCC(C)C 2230a_100000703577_100011194448 [1,1,0,0,0,0|2,0,0]=4 3271 B16R0.3183 C=CCCCCNCCCC(=O)NCC(C)C 34a_100000703577_100011194448 [1,1,0,0,0,0|2,0,0]=4 3272 B16R0.3183 C=CCCCCOCCCC(=O)NCC(C)C 34a_100000766645_100011194448 [1,1,0,0,0,0|2,0,0]=4 3273 B16R0.3183 C=CCCCCOCCCC(=O)NCC(C)C 7a_100000766645_100011194448 [1,1,0,0,0,0|2,0,0]=4 3274 B16R0.3183 C=CCCCCSCCCC(=O)NCC(C)C 62a_100011194448_100011215482 [1,1,0,0,0,0|2,0,0]=4 3275 B16R0.3183 C=CCCCCSCCCC(=O)NCC(C)C 62a_100011215482_100011194448 [1,1,0,0,0,0|2,0,0]=4 3276 B16R0.3183 CC(C)CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210312 [1,1,0,0,0,0|1,0,1]=4 3277 B16R0.3183 CC(C)CCC(=O)CCCCCCCCCO 1458a_100000181311_100009813782 [1,1,0,0,0,0|1,0,1]=4 3278 B16R0.3183 CC(O)CCC(=O)CCCCCCCCCF 1458a_200009909015_100012276601 [1,1,0,0,0,0|1,0,1]=4 3279 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210319 [1,1,0,0,0,0|0,0,2]=4 3280 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)C 1458a_100000210375_100000210312 [1,1,0,0,0,0|0,0,2]=4 3281 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)O 1458a_100000210375_100012276601 [1,1,0,0,0,0|0,0,2]=4 3282 B16R0.3207 C=CCCCCCCC(=O)CC(=O)NCCC 1458a_100011809334_100000183358 [1,1,0,0,0,0|1,0,1]=4 3283 B16R0.3207 C=CCCCCCCC(=O)CC(=O)OCCC 1458a_100011809334_200011215008 [1,1,0,0,0,0|0,0,1]=3 3284 B16R0.3207 C=CCCCCCCN(C)CC(=O)NCCC 2230a_100000684209_100011215473 [1,1,0,0,0,0|2,0,0]=4 3285 B16R0.3207 C=CCCCCCCN(C)CC(=O)NCCC 269982a_100000684209_100011215473 [1,1,0,0,0,0|2,0,0]=4 3286 B18R0.218 C=CCCCCCCCCC(=O)NC(C)CC(C)C 11a_100000692259_100000211349 [0,2,0,0,0,0|1,0,0]=3 3287 B18R0.218 C=CCCCCCCCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211349 [0,2,0,0,0,0|1,0,0]=3 3288 B18R0.218 C=CCCCCCCCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211349 [0,2,0,0,0,0|1,0,0]=3 3289 B18R0.218 C=CCCCCCCCCC(=O)NC(C)CC(C)C 527a_100000692259_100000211349 [0,2,0,0,0,0|1,0,0]=3 3290 B18R0.218 C=CCCCCCCCCC(=O)NC(C)CN(C)C 11a_100016992788_100000211349 [0,2,0,0,0,0|2,0,0]=4 3291 B18R0.218 C=CCCCCCCCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000211349 [0,2,0,0,0,0|2,0,0]=4 3292 B18R0.218 C=CCCCCCCCCC(=O)NC(C)CN(C)C 527a_100016992788_100000211349 [0,2,0,0,0,0|2,0,0]=4 3293 B18R0.233 C=CCCCCCCCCCC(=O)COCC(C)C 1458a_100011223364_100009814027 [0,2,0,0,0,0|2,0,0]=4 3294 B18R0.17427 C=CCCCCCCCCC(=O)CCCC(=O)NC 1458a_100000211349_100000741757 [0,2,0,0,0,0|1,0,1]=4 3295 B18R0.17427 C=CCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000211349_100011218270 [0,2,0,0,0,0|1,0,1]=4 3296 B18R0.17427 C=CCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100011933949 [0,2,0,0,0,0|1,0,1]=4 3297 B18R0.17427 C=CCCCCCCCCC(=O)CCCN(C)CC 1458a_100000211349_100015186262 [0,2,0,0,0,0|1,0,0]=3 3298 B18R0.17427 C=CCCCCCCCCC(=O)CCCN(C)N=O 1458a_200000076914_100011933949 [0,2,0,0,0,0|2,0,0]=4 3299 B18R0.17427 C=CCCCCCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000211349 [0,2,0,0,0,0|1,0,1]=4 3300 B18R0.17427 C=CCCCCCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211349 [0,2,0,0,0,0|1,0,1]=4 3301 B18R0.17427 C=CCCCCCCCCC(=O)NCCC(=O)NC 527a_100000738227_100000211349 [0,2,0,0,0,0|1,0,1]=4 3302 B18R0.17427 C=CCCCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211349 [0,2,0,0,0,0|1,0,1]=4 3303 B18R0.17427 C=CCCCCCCCCC(=O)NCCC(C)CC 11a_100020591266_100000211349 [0,2,0,0,0,0|1,0,0]=3 3304 B18R0.17427 C=CCCCCCCCCC(=O)NCCC(C)CC 1626a_100020591266_100000211349 [0,2,0,0,0,0|1,0,0]=3 3305 B18R0.17427 C=CCCCCCCCCC(=O)NCCC(C)CC 240690a_100020591266_100000211349 [0,2,0,0,0,0|1,0,0]=3 3306 B18R0.17427 C=CCCCCCCCCC(=O)NCCC(C)CC 527a_100020591266_100000211349 [0,2,0,0,0,0|1,0,0]=3 3307 B18R0.17427 C=CCCCCCCCCC(=O)NCCC(C)CO 240690a_106354213184_100000211349 [0,2,0,0,0,0|1,0,0]=3 3308 B18R0.17427 C=CCCCCCCCCC(=O)NCCC(C)CO 527a_106354213184_100000211349 [0,2,0,0,0,0|1,0,0]=3 3309 B18R0.17427 C=CCCCCCCCCC(=O)NN=CC(C)CC 4a_200000015944_100000243153 [0,2,0,0,0,0|1,0,1]=4 3310 B18R0.17427 C=CCCCCCCCCC(=O)NNCC(C)C#N 22a_100000045663_100000211349 [0,2,0,0,0,0|2,0,0]=4 3311 B18R0.17427 C=CCCCCCCCCC(=O)NNCC(O)CC 22a_100015206393_100000211349 [0,2,0,0,0,0|1,0,0]=3 3312 B18R0.17436 C=CCCCCCCCCC(=O)CCCC(F)(F)F 1458a_100000211349_100011216173 [0,2,0,0,0,0|2,0,0]=4 3313 B18R0.17436 C=CCCCCCCCCC(=O)CCCC(F)(F)F 1458a_100000764234_100011933949 [0,2,0,0,0,0|2,0,0]=4 3314 B18R0.17436 C=CCCCCCCCCC(=O)CCCS(=O)(=O)C 1458a_100000211349_100000754308 [0,2,0,0,0,0|2,0,0]=4 3315 B18R0.17436 C=CCCCCCCCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100011933949 [0,2,0,0,0,0|2,0,0]=4 3316 B18R0.17436 C=CCCCCCCCCC(=O)CCC[N+](C)(C)C 1458a_100000211349_100016990835 [0,2,0,0,0,0|2,0,0]=4 3317 B18R0.17436 C=CCCCCCCCCC(=O)CCC[Si](C)(C)C 1458a_100000211349_100011219597 [0,2,0,0,0,0|1,1,0]=4 3318 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(C)(C)C 11a_100000738805_100000211349 [0,2,0,0,0,0|1,0,0]=3 3319 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000211349 [0,2,0,0,0,0|1,0,0]=3 3320 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000211349 [0,2,0,0,0,0|1,0,0]=3 3321 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(C)(C)C 527a_100000738805_100000211349 [0,2,0,0,0,0|1,0,0]=3 3322 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(C)(C)F 11a_100016253952_100000211349 [0,2,0,0,0,0|1,0,0]=3 3323 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000211349 [0,2,0,0,0,0|1,0,0]=3 3324 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000211349 [0,2,0,0,0,0|1,0,0]=3 3325 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(C)(C)F 527a_100016253952_100000211349 [0,2,0,0,0,0|1,0,0]=3 3326 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000211349 [0,2,0,0,0,0|1,0,0]=3 3327 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(C)(C)O 527a_100000707701_100000211349 [0,2,0,0,0,0|1,0,0]=3 3328 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(F)(F)F 11a_100000740434_100000211349 [0,2,0,0,0,0|2,0,0]=4 3329 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(F)(F)F 1626a_100000740434_100000211349 [0,2,0,0,0,0|2,0,0]=4 3330 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(F)(F)F 240690a_100000740434_100000211349 [0,2,0,0,0,0|2,0,0]=4 3331 B18R0.17436 C=CCCCCCCCCC(=O)NCCC(F)(F)F 527a_100000740434_100000211349 [0,2,0,0,0,0|2,0,0]=4 3332 B18R0.17436 C=CCCCCCCCCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000211349 [0,2,0,0,0,0|2,0,0]=4 3333 B18R0.17436 C=CCCCCCCCCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000211349 [0,2,0,0,0,0|2,0,0]=4 3334 B18R0.17436 C=CCCCCCCCCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000211349 [0,2,0,0,0,0|2,0,0]=4 3335 B18R0.17436 C=CCCCCCCCCC(=O)NCCS(=O)(=O)C 527a_100000740961_100000211349 [0,2,0,0,0,0|2,0,0]=4 3336 B18R0.17436 C=CCCCCCCCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000211349 [0,2,0,0,0,0|2,0,0]=4 3337 B18R0.17436 C=CCCCCCCCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000211349 [0,2,0,0,0,0|2,0,0]=4 3338 B18R0.17436 C=CCCCCCCCCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000211349 [0,2,0,0,0,0|2,0,0]=4 3339 B18R0.19789 C=CCCCCCCCCC(=O)CCN(C)C(C)C 1458a_100015184040_100011933949 [0,2,0,0,0,0|2,0,0]=4 3340 B18R0.19789 C=CCCCCCCCCC(=O)NCC(O)C(C)C 11a_100000759067_100000211349 [0,2,0,0,0,0|1,0,0]=3 3341 B18R0.19789 C=CCCCCCCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000211349 [0,2,0,0,0,0|1,0,0]=3 3342 B18R0.19789 C=CCCCCCCCCC(=O)NCC(O)C(C)C 527a_100000759067_100000211349 [0,2,0,0,0,0|1,0,0]=3 3343 B18R0.19794 C=CCCCCCCOC(C)C(=O)NCCC(C)C 34a_200011216477_100000735922 [0,2,0,0,0,0|2,0,0]=4 3344 B18R0.19794 C=CCCCCCCOC(C)C(=O)NCCC(C)C 7a_200011216477_100000735922 [0,2,0,0,0,0|2,0,0]=4 3345 B18R0.19794 C=CCCCCCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100011215473 [0,2,0,0,0,0|1,0,0]=3 3346 B18R0.19794 C=CCCCCCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100011215473 [0,2,0,0,0,0|1,0,0]=3 3347 B18R0.19794 C=CCCCCCCSC(C)C(=O)NCCC(C)C 62a_100000735922_100011215473 [0,2,0,0,0,0|2,0,0]=4 3348 B18R0.19794 C=CCCCCCCSC(C)C(=O)NCCC(C)C 62a_100011215473_100000735922 [0,2,0,0,0,0|2,0,0]=4 3349 B18R0.20350 C=CCCCCCCCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100011933949 [0,2,0,0,0,0|2,0,0]=4 3350 B18R0.20350 C=CCCCCCCCCC(=O)C(C)CCC(C)C 1458a_100000211349_100011261404 [0,2,0,0,0,0|1,0,0]=3 3351 B18R0.20350 C=CCCCCCCCCC(=O)N(C)CCC(C)C 11a_100000742789_100000211349 [0,2,0,0,0,0|1,0,0]=3 3352 B18R0.20350 C=CCCCCCCCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000211349 [0,2,0,0,0,0|1,0,0]=3 3353 B18R0.20350 C=CCCCCCCCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000211349 [0,2,0,0,0,0|1,0,0]=3 3354 B18R0.20350 C=CCCCCCCCCC(=O)N(C)CCC(C)C 527a_100000742789_100000211349 [0,2,0,0,0,0|1,0,0]=3 3355 B18R0.20350 C=CCCCCCCCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000211349 [0,2,0,0,0,0|2,0,0]=4 3356 B18R0.20350 C=CCCCCCCCCC(=O)N(C)CCN(C)C 527a_100000225618_100000211349 [0,2,0,0,0,0|2,0,0]=4 3357 B18R0.20486 C=CC(=O)OCCCCCOCC(=O)OCCCC 7a_200011023508_100000211628 [0,2,0,0,0,0|1,0,1]=4 3358 B18R0.20486 CCCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210326 [0,2,0,0,0,0|1,0,1]=4 3359 B18R0.20486 CCCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000212188_100010282707 [0,2,0,0,0,0|1,0,1]=4 3360 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 11a_100000102301_100000036616 [0,2,0,0,0,0|1,0,1]=4 3361 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 1626a_100000102301_100000036616 [0,2,0,0,0,0|1,0,1]=4 3362 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 240690a_100000102301_100000036616 [0,2,0,0,0,0|1,0,1]=4 3363 B18R0.20486 CCCCOC(=O)COCCCCCCC(=O)OC 34a_100009863599_100000211628 [0,2,0,0,0,0|1,0,1]=4 3364 B18R0.20486 CCCCOC(=O)COCCCCCCC(=O)OC 7a_100009863599_100000211628 [0,2,0,0,0,0|1,0,1]=4 3365 B18R0.20486 CCCCOC(=O)CSCCCCCCC(=O)OC 62a_100000211628_100009815986 [0,2,0,0,0,0|1,0,1]=4 3366 B18R0.20486 CCCCOC(=O)CSCCCCCCC(=O)OC 62a_100009815986_100000211628 [0,2,0,0,0,0|1,0,1]=4 3367 B18R0.45 C=CCCCCCCCCCC(=O)CC(C)SCC 1458a_200011311441_100009814027 [0,2,0,0,0,0|2,0,0]=4 3368 B18R0.45 C=CCCCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100009814027 [0,2,0,0,0,0|2,0,0]=4 3369 B18R0.11629 C=CCCCCCCOC(C)C(=O)NC(C)CCC 34a_200011216477_100000735934 [0,2,0,0,0,0|2,0,0]=4 3370 B18R0.11629 C=CCCCCCCOC(C)C(=O)NC(C)CCC 7a_200011216477_100000735934 [0,2,0,0,0,0|2,0,0]=4 3371 B18R0.11629 C=CCCCCCCSC(C)C(=O)NC(C)CCC 62a_100000735934_100011215473 [0,2,0,0,0,0|2,0,0]=4 3372 B18R0.11629 C=CCCCCCCSC(C)C(=O)NC(C)CCC 62a_100011215473_100000735934 [0,2,0,0,0,0|2,0,0]=4 3373 B18R0.17431 C=CCCCCCCCCC(=O)N(C)C(C)CCO 240690a_100000731037_100000211349 [0,2,0,0,0,0|2,0,0]=4 3374 B18R0.17431 C=CCCCCCCCCC(=O)N(C)C(C)CCO 527a_100000731037_100000211349 [0,2,0,0,0,0|2,0,0]=4 3375 B18R0.17439 C=CCCCCCCCCC(=O)NC(CC)CCC 11a_100000747048_100000211349 [0,2,0,0,0,0|1,0,0]=3 3376 B18R0.17439 C=CCCCCCCCCC(=O)NC(CC)CCC 1626a_100000747048_100000211349 [0,2,0,0,0,0|1,0,0]=3 3377 B18R0.17439 C=CCCCCCCCCC(=O)NC(CC)CCC 240690a_100000747048_100000211349 [0,2,0,0,0,0|1,0,0]=3 3378 B18R0.17439 C=CCCCCCCCCC(=O)NC(CC)CCC 527a_100000747048_100000211349 [0,2,0,0,0,0|1,0,0]=3 3379 B18R0.17439 C=CCCCCCCCCC(=O)NC(CC)COC 11a_100000757820_100000211349 [0,2,0,0,0,0|2,0,0]=4 3380 B18R0.17439 C=CCCCCCCCCC(=O)NC(CC)COC 1626a_100000757820_100000211349 [0,2,0,0,0,0|2,0,0]=4 3381 B18R0.17439 C=CCCCCCCCCC(=O)NC(CC)COC 240690a_100000757820_100000211349 [0,2,0,0,0,0|2,0,0]=4 3382 B18R0.17439 C=CCCCCCCCCC(=O)NC(CC)COC 527a_100000757820_100000211349 [0,2,0,0,0,0|2,0,0]=4 3383 B18R0.17439 C=CCCCCCCCCC(=O)NC(CO)COC 240690a_100000724102_100000211349 [0,2,0,0,0,0|2,0,0]=4 3384 B18R0.17439 C=CCCCCCCCCC(=O)NC(CO)COC 527a_100000724102_100000211349 [0,2,0,0,0,0|2,0,0]=4 3385 B18R0.17439 C=CCCCCCCCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000211349 [0,2,0,0,0,0|1,0,0]=3 3386 B18R0.17439 C=CCCCCCCCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000211349 [0,2,0,0,0,0|1,0,0]=3 3387 B18R0.17443 C=CCCCCCCCCC(=O)CC(C)N(C)CC 1458a_200015187196_100011933949 [0,2,0,0,0,0|2,0,0]=4 3388 B18R0.19211 C=CCCCCCCCCC(=O)CC(=O)NCCC 1458a_100000211349_100000183358 [0,2,0,0,0,0|1,0,1]=4 3389 B18R0.19211 C=CCCCCCCCCC(=O)CC(=O)OCCC 1458a_100000211349_200011215008 [0,2,0,0,0,0|1,0,1]=4 3390 B18R0.19211 C=CCCCCCCCCC(=O)NC(C)CCCC 11a_100000126638_100000211349 [0,2,0,0,0,0|1,0,0]=3 3391 B18R0.19211 C=CCCCCCCCCC(=O)NC(C)CCCC 1626a_100000126638_100000211349 [0,2,0,0,0,0|1,0,0]=3 3392 B18R0.19211 C=CCCCCCCCCC(=O)NC(C)CCCC 240690a_100000126638_100000211349 [0,2,0,0,0,0|1,0,0]=3 3393 B18R0.19211 C=CCCCCCCCCC(=O)NC(C)CCCC 527a_100000126638_100000211349 [0,2,0,0,0,0|1,0,0]=3 3394 B18R0.65869 C=CCCCCCCCCC(=O)CC(C)(O)CCC 1458a_100011667670_100011933949 [0,2,0,0,0,0|1,0,0]=3 3395 B18R0.65869 C=CCCCCCCCCC(=O)NC(C)(C)CCO 240690a_100000763138_100000211349 [0,2,0,0,0,0|2,0,0]=4 3396 B18R0.65869 C=CCCCCCCCCC(=O)NC(C)(C)CCO 527a_100000763138_100000211349 [0,2,0,0,0,0|2,0,0]=4 3397 B18R0.65869 C=CCCCCCCCCC(=O)NC(C)(C)COC 11a_100000752728_100000211349 [0,2,0,0,0,0|2,0,0]=4 3398 B18R0.65869 C=CCCCCCCCCC(=O)NC(C)(C)COC 1626a_100000752728_100000211349 [0,2,0,0,0,0|2,0,0]=4 3399 B18R0.65869 C=CCCCCCCCCC(=O)NC(C)(C)COC 240690a_100000752728_100000211349 [0,2,0,0,0,0|2,0,0]=4 3400 B18R0.65869 C=CCCCCCCCCC(=O)NC(C)(C)COC 527a_100000752728_100000211349 [0,2,0,0,0,0|2,0,0]=4 3401 B18R0.65869 C=CCCCCCCCCC(=O)NC(C)(C)CSC 11a_100000759623_100000211349 [0,2,0,0,0,0|2,0,0]=4 3402 B18R0.65869 C=CCCCCCCCCC(=O)NC(C)(C)CSC 1626a_100000759623_100000211349 [0,2,0,0,0,0|2,0,0]=4 3403 B18R0.65869 C=CCCCCCCCCC(=O)NC(C)(C)CSC 240690a_100000759623_100000211349 [0,2,0,0,0,0|2,0,0]=4 3404 B18R0.65869 C=CCCCCCCCCC(=O)NC(C)(C)CSC 527a_100000759623_100000211349 [0,2,0,0,0,0|2,0,0]=4 3405 B18R0.65869 C=CCCCCCCCCC(=O)NS(=O)(=O)CCC 2740a_100000171175_100000211349 [0,2,0,0,0,0|2,0,0]=4 3406 B18R0.13118 CCCCOC(=O)COCCCCC(C)CCCC 34a_200011021034_100000211628 [0,2,0,0,0,0|0,0,2]=4 3407 B18R0.13118 CCCCOC(=O)COCCCCC(C)CCCC 7a_200011021034_100000211628 [0,2,0,0,0,0|0,0,2]=4 3408 B18R0.11006 C#CCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100153394163 [0,2,0,0,0,0|0,0,2]=4 3409 B18R0.11006 C#CCCCCCCCOC(C)C(=O)OCCCC 34a_100000054614_100000759602 [0,2,0,0,0,0|0,0,2]=4 3410 B18R0.11006 C#CCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100153394163 [0,2,0,0,0,0|0,0,2]=4 3411 B18R0.11006 C#CCCCCCCCOC(C)C(=O)OCCCC 7a_100000054614_100000759602 [0,2,0,0,0,0|0,0,2]=4 3412 B18R0.11006 C#CCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100153394163 [0,2,0,0,0,0|0,0,2]=4 3413 B18R0.11006 C#CCCCCCCCSC(C)C(=O)OCCCC 62a_100153394163_100000759602 [0,2,0,0,0,0|0,0,2]=4 3414 B18R0.11006 C=CCCCCCCCCC(=O)C(C)SCCCC 1458a_100000191163_100011933949 [0,2,0,0,0,0|0,1,0]=3 3415 B18R0.11006 C=CCCCCCCCCC(=O)N(C)CCCCC 11a_100000223495_100000211349 [0,2,0,0,0,0|1,0,0]=3 3416 B18R0.11006 C=CCCCCCCCCC(=O)N(C)CCCCC 1626a_100000223495_100000211349 [0,2,0,0,0,0|1,0,0]=3 3417 B18R0.11006 C=CCCCCCCCCC(=O)N(C)CCCCC 240690a_100000223495_100000211349 [0,2,0,0,0,0|1,0,0]=3 3418 B18R0.11006 C=CCCCCCCCCC(=O)N(C)CCCCC 527a_100000223495_100000211349 [0,2,0,0,0,0|1,0,0]=3 3419 B18R0.11006 C=CCCCCCCCCC(=O)N(C)CCCCO 240690a_100000717598_100000211349 [0,2,0,0,0,0|1,0,0]=3 3420 B18R0.11006 C=CCCCCCCCCC(=O)N(C)CCCOC 11a_100000224831_100000211349 [0,2,0,0,0,0|1,0,0]=3 3421 B18R0.11006 C=CCCCCCCCCC(=O)N(C)CCCOC 1626a_100000224831_100000211349 [0,2,0,0,0,0|1,0,0]=3 3422 B18R0.11006 C=CCCCCCCCCC(=O)N(C)CCCOC 240690a_100000224831_100000211349 [0,2,0,0,0,0|1,0,0]=3 3423 B18R0.11006 C=CCCCCCCCCC(=O)N(C)CCCOC 527a_100000224831_100000211349 [0,2,0,0,0,0|1,0,0]=3 3424 B18R0.11006 C=CCCCCCCCOC(C)C(=O)NCCCC 34a_100000730831_100000735917 [0,2,0,0,0,0|1,0,0]=3 3425 B18R0.11006 C=CCCCCCCCOC(C)C(=O)NCCCC 7a_100000730831_100000735917 [0,2,0,0,0,0|1,0,0]=3 3426 B18R0.11006 C=CCCCCCCCOC(C)C(=O)NCCOC 7a_100000730831_100000230274 [0,2,0,0,0,0|2,0,0]=4 3427 B18R0.11006 C=CCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100012355270 [0,2,0,0,0,0|0,0,0]=2 3428 B18R0.11006 C=CCCCCCCCOC(C)C(=O)OCCCC 34a_100000730831_100000759602 [0,2,0,0,0,0|0,0,0]=2 3429 B18R0.11006 C=CCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100012355270 [0,2,0,0,0,0|0,0,0]=2 3430 B18R0.11006 C=CCCCCCCCOC(C)C(=O)OCCCC 7a_100000730831_100000759602 [0,2,0,0,0,0|0,0,0]=2 3431 B18R0.11006 C=CCCCCCCCSC(C)C(=O)NCCCC 62a_100000735917_100012355270 [0,2,0,0,0,0|1,0,0]=3 3432 B18R0.11006 C=CCCCCCCCSC(C)C(=O)NCCCC 62a_100012355270_100000735917 [0,2,0,0,0,0|1,0,0]=3 3433 B18R0.11006 C=CCCCCCCCSC(C)C(=O)NCCOC 62a_100000230274_100012355270 [0,2,0,0,0,0|2,0,0]=4 3434 B18R0.11006 C=CCCCCCCCSC(C)C(=O)NCCOC 62a_100012355270_100000230274 [0,2,0,0,0,0|2,0,0]=4 3435 B18R0.11006 C=CCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100012355270 [0,2,0,0,0,0|0,0,0]=2 3436 B18R0.11006 C=CCCCCCCCSC(C)C(=O)OCCCC 62a_100012355270_100000759602 [0,2,0,0,0,0|0,0,0]=2 3437 B18R0.11006 C=CCOCCOCCOC(C)C(=O)OCCCC 34a_100000065479_100000759602 [0,2,0,0,0,0|2,0,0]=4 3438 B18R0.11006 C=CCOCCOCCOC(C)C(=O)OCCCC 7a_100000065479_100000759602 [0,2,0,0,0,0|2,0,0]=4 3439 B18R0.11006 CCCCCCCCCNC(C)C(=O)OCCCC 2230a_100000212291_100000759602 [0,2,0,0,0,0|0,0,2]=4 3440 B18R0.11006 CCCCCCCCCNC(C)C(=O)OCCCC 34a_100000212291_100000759602 [0,2,0,0,0,0|0,0,2]=4 3441 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100011214924 [0,2,0,0,0,0|0,0,2]=4 3442 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 34a_100000210712_100000759602 [0,2,0,0,0,0|0,0,2]=4 3443 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210328 [0,2,0,0,0,0|0,0,2]=4 3444 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 7a_100000210712_100000759602 [0,2,0,0,0,0|0,0,2]=4 3445 B18R0.11006 CCCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100000210670 [0,2,0,0,0,0|0,0,2]=4 3446 B18R0.11006 CCCCOC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000759602 [0,2,0,0,0,0|1,0,1]=4 3447 B18R0.11006 CCCCOC(=O)C(C)NCCCCCCCCO 34a_102515433106_100000759602 [0,2,0,0,0,0|1,0,1]=4 3448 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100000759602 [0,2,0,0,0,0|1,0,1]=4 3449 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000759602 [0,2,0,0,0,0|1,0,1]=4 3450 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100000759602 [0,2,0,0,0,0|1,0,1]=4 3451 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000759602 [0,2,0,0,0,0|1,0,1]=4 3452 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCN 34a_102515433106_100000759602 [0,2,0,0,0,0|1,0,1]=4 3453 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCO 34a_100000038973_100000033203 [0,2,0,0,0,0|1,0,1]=4 3454 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCO 7a_100000038973_100000033203 [0,2,0,0,0,0|1,0,1]=4 3455 B18R0.11006 CCCCOC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000759602 [0,2,0,0,0,0|1,0,1]=4 3456 B18R0.11006 CCCCOC(=O)C(C)SCCCCCCCCO 62a_100000759602_100000033203 [0,2,0,0,0,0|1,0,1]=4 3457 B18R0.11192 C=CCCCCCCC(=O)C(C)C(=O)NCCCC 1458a_100011809334_100000735917 [0,2,0,0,0,0|1,0,1]=4 3458 B18R0.11192 C=CCCCCCCC(=O)C(C)C(=O)OCCCC 1458a_100011809334_100000759602 [0,2,0,0,0,0|0,0,1]=3 3459 B18R0.20141 C=CCCCCCCOC(C)C(=O)NCCCCC 7a_200011216477_100000735910 [0,2,0,0,0,0|2,0,0]=4 3460 B18R0.20141 C=CCCCCCCOC(C)C(=O)NCCCOC 7a_200011216477_100000735919 [0,2,0,0,0,0|2,0,0]=4 3461 B18R0.20141 C=CCCCCCCSC(C)C(=O)NCCCCC 62a_100000735910_100011215473 [0,2,0,0,0,0|2,0,0]=4 3462 B18R0.20141 C=CCCCCCCSC(C)C(=O)NCCCCC 62a_100011215473_100000735910 [0,2,0,0,0,0|2,0,0]=4 3463 B18R0.20141 C=CCCCCCCSC(C)C(=O)NCCCOC 62a_100000735919_100011215473 [0,2,0,0,0,0|2,0,0]=4 3464 B18R0.20141 C=CCCCCCCSC(C)C(=O)NCCCOC 62a_100011215473_100000735919 [0,2,0,0,0,0|2,0,0]=4 3465 B18R0.72215 C=CCCCCCCOC(CC)C(=O)NCCCC 7a_200011216477_200011763471 [0,2,0,0,0,0|2,0,0]=4 3466 B18R0.72215 C=CCCCCCCO[C@@H](CC)C(=O)OCCCC 34a_100020628826_100011215473 [0,2,0,0,0,0|1,0,0]=3 3467 B18R0.72215 C=CCCCCCCO[C@@H](CC)C(=O)OCCCC 7a_100020628826_100011215473 [0,2,0,0,0,0|1,0,0]=3 3468 B18R0.72215 C=CCCCCCCSC(CC)C(=O)NCCCC 62a_100011215473_200011763471 [0,2,0,0,0,0|2,0,0]=4 3469 B18R0.72215 C=CCCCCCCSC(CC)C(=O)NCCCC 62a_200011763471_100011215473 [0,2,0,0,0,0|2,0,0]=4 3470 B18R0.126 C=CC(=O)OCCCCCCC(=O)COCCCC 1458a_100000757543_100009894100 [0,2,0,0,0,0|1,0,1]=4 3471 B18R0.3137 CCCCOC(=O)CNCCCCCCNC(=O)C 2230a_200011996284_100000211628 [0,2,0,0,0,0|1,0,1]=4 3472 B18R0.3137 CCCCOC(=O)CNCCCCCCNC(=O)C 34a_200011996284_100000211628 [0,2,0,0,0,0|1,0,1]=4 3473 B18R0.3137 CCCCOC(=O)COCCCCCCCC(C)C 34a_200000210741_100000211628 [0,2,0,0,0,0|0,0,2]=4 3474 B18R0.3137 CCCCOC(=O)COCCCCCCCC(C)C 7a_200000210741_100000211628 [0,2,0,0,0,0|0,0,2]=4 3475 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCC=C 1458a_100000696528_100009814027 [0,2,0,0,0,0|1,0,1]=4 3476 B18R0.7792 C#CCCCCCCCOCC(=O)OCCOCC 34a_100000054614_200000101388 [0,2,0,0,0,0|0,0,2]=4 3477 B18R0.7792 C#CCCCCCCCOCC(=O)OCCOCC 7a_100000054614_200000101388 [0,2,0,0,0,0|0,0,2]=4 3478 B18R0.7792 C#CCCCCCCCSCC(=O)OCCOCC 62a_100153394163_200000101388 [0,2,0,0,0,0|0,0,2]=4 3479 B18R0.7792 C#CCCCCCCCSCC(=O)OCCOCC 62a_200000101388_100153394163 [0,2,0,0,0,0|0,0,2]=4 3480 B18R0.7792 C=CCCCCCCCOCC(=O)NCCCCC 34a_100000730831_100000230301 [0,2,0,0,0,0|1,0,0]=3 3481 B18R0.7792 C=CCCCCCCCOCC(=O)NCCCCC 7a_100000730831_100000230301 [0,2,0,0,0,0|1,0,0]=3 3482 B18R0.7792 C=CCCCCCCCOCC(=O)NCCCOC 34a_100000730831_100000183178 [0,2,0,0,0,0|1,0,0]=3 3483 B18R0.7792 C=CCCCCCCCOCC(=O)NCCCOC 7a_100000730831_100000183178 [0,2,0,0,0,0|1,0,0]=3 3484 B18R0.7792 C=CCCCCCCCOCC(=O)OCCOCC 34a_100000730831_200000101388 [0,2,0,0,0,0|0,0,0]=2 3485 B18R0.7792 C=CCCCCCCCOCC(=O)OCCOCC 7a_100000730831_200000101388 [0,2,0,0,0,0|0,0,0]=2 3486 B18R0.7792 C=CCCCCCCCSCC(=O)NCCCCC 62a_100000230301_100012355270 [0,2,0,0,0,0|1,0,0]=3 3487 B18R0.7792 C=CCCCCCCCSCC(=O)NCCCCC 62a_100012355270_100000230301 [0,2,0,0,0,0|1,0,0]=3 3488 B18R0.7792 C=CCCCCCCCSCC(=O)NCCCOC 62a_100000183178_100012355270 [0,2,0,0,0,0|1,0,0]=3 3489 B18R0.7792 C=CCCCCCCCSCC(=O)OCCOCC 62a_100012355270_200000101388 [0,2,0,0,0,0|0,0,0]=2 3490 B18R0.7792 C=CCCCCCCCSCC(=O)OCCOCC 62a_200000101388_100012355270 [0,2,0,0,0,0|0,0,0]=2 3491 B18R0.7792 C=CCOCCOCCOCC(=O)OCCOCC 34a_100000065479_200000101388 [0,2,0,0,0,0|2,0,0]=4 3492 B18R0.7792 C=CCOCCOCCOCC(=O)OCCOCC 7a_100000065479_200000101388 [0,2,0,0,0,0|2,0,0]=4 3493 B18R0.7792 CCCCCCCCCCCC(=O)OCCNCC 2230a_100015525214_100000091854 [0,2,0,0,0,0|0,0,2]=4 3494 B18R0.7792 CCCCCCCCCCCC(=O)OCCOCC 34a_100121572206_100000091854 [0,2,0,0,0,0|0,0,2]=4 3495 B18R0.7792 CCCCCCCCCCCC(=O)OCCSCC 62a_100000210202_100000091854 [0,2,0,0,0,0|0,0,2]=4 3496 B18R0.7792 CCCCCCCCCCCC(=O)OCOCCC 34a_100000210258_100020644155 [0,2,0,0,0,0|0,0,2]=4 3497 B18R0.7792 CCCCCCCCCCCC(=O)OCSCCC 62a_100000210303_100020644155 [0,2,0,0,0,0|0,0,2]=4 3498 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 11a_100000684558_100000757543 [0,2,0,0,0,0|0,0,2]=4 3499 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 1626a_100000684558_100000757543 [0,2,0,0,0,0|0,0,2]=4 3500 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 240690a_100000684558_100000757543 [0,2,0,0,0,0|0,0,2]=4 3501 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 527a_100000684558_100000757543 [0,2,0,0,0,0|0,0,2]=4 3502 B18R0.7792 CCCCCCCCCCOC(=O)COCCCC 34a_100000210227_100000210668 [0,2,0,0,0,0|0,0,2]=4 3503 B18R0.7792 CCCCCCCCCCOC(=O)COCCCC 7a_100000210227_100000210668 [0,2,0,0,0,0|0,0,2]=4 3504 B18R0.7792 CCCCCCCCCNCC(=O)OCCOCC 2230a_100000212291_200000101388 [0,2,0,0,0,0|0,0,2]=4 3505 B18R0.7792 CCCCCCCCCNCC(=O)OCCOCC 34a_100000212291_200000101388 [0,2,0,0,0,0|0,0,2]=4 3506 B18R0.7792 CCCCCCCCCOCC(=O)OCCOCC 34a_100000210712_200000101388 [0,2,0,0,0,0|0,0,2]=4 3507 B18R0.7792 CCCCCCCCCOCC(=O)OCCOCC 7a_100000210712_200000101388 [0,2,0,0,0,0|0,0,2]=4 3508 B18R0.7792 CCCCCCCCCSCC(=O)OCCOCC 62a_200000101388_100000210670 [0,2,0,0,0,0|0,0,2]=4 3509 B18R0.7792 CCCCOCC(=O)NCCCCCCCCCO 240690a_100000078944_100000757543 [0,2,0,0,0,0|1,0,1]=4 3510 B18R0.7792 CCOCCOC(=O)CNCCCCCCCCO 2230a_102515433106_200000101388 [0,2,0,0,0,0|1,0,1]=4 3511 B18R0.7792 CCOCCOC(=O)CNCCCCCCCCO 34a_102515433106_200000101388 [0,2,0,0,0,0|1,0,1]=4 3512 B18R0.7792 CCOCCOC(=O)COCCCCCCCCBr 34a_100009813846_200000101388 [0,2,0,0,0,0|1,0,1]=4 3513 B18R0.7792 CCOCCOC(=O)COCCCCCCCCBr 7a_100009813846_200000101388 [0,2,0,0,0,0|1,0,1]=4 3514 B18R0.7792 CCOCCOC(=O)COCCCCCCCCCl 34a_100000033203_200000101388 [0,2,0,0,0,0|1,0,1]=4 3515 B18R0.7792 CCOCCOC(=O)COCCCCCCCCCl 7a_100000033203_200000101388 [0,2,0,0,0,0|1,0,1]=4 3516 B18R0.7792 CCOCCOC(=O)COCCCCCCCCN 34a_102515433106_200000101388 [0,2,0,0,0,0|1,0,1]=4 3517 B18R0.7792 CCOCCOC(=O)CSCCCCCCCCO 62a_100000033203_200000101388 [0,2,0,0,0,0|1,0,1]=4 3518 B18R0.7792 CCOCCOC(=O)CSCCCCCCCCO 62a_200000101388_100000033203 [0,2,0,0,0,0|1,0,1]=4 3519 B18R0.7795 C=CCCCCCCCCCC(=O)CCN(C)CC 1458a_100000755305_100009814027 [0,2,0,0,0,0|2,0,0]=4 3520 B18R0.7795 C=CCCCCCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100009814027 [0,2,0,0,0,0|2,0,0]=4 3521 B18R0.7795 C=CCCCCCCCOCC(=O)NCC(O)CO 34a_100000730831_200012027429 [0,2,0,0,0,0|2,0,0]=4 3522 B18R0.7795 C=CCCCCCCCOCC(=O)NCC(O)CO 7a_100000730831_200012027429 [0,2,0,0,0,0|2,0,0]=4 3523 B18R0.7795 C=CCCCCCCCSCC(=O)NCC(O)CO 62a_100012355270_200012027429 [0,2,0,0,0,0|2,0,0]=4 3524 B18R0.7795 C=CCCCCCCCSCC(=O)NCC(O)CO 62a_200012027429_100012355270 [0,2,0,0,0,0|2,0,0]=4 3525 B18R0.7796 C=CCCCCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100009814027 [0,2,0,0,0,0|2,0,0]=4 3526 B18R0.7796 C=CCCCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100009814027 [0,2,0,0,0,0|1,0,0]=3 3527 B18R0.7796 C=CCCCCCCCCCC(=O)C(O)CCSC 1458a_100000685904_100009814027 [0,2,0,0,0,0|2,0,0]=4 3528 B18R0.7796 C=CCCCCCCCOCC(=O)N(C)CCCC 34a_100000730831_100000230175 [0,2,0,0,0,0|1,0,0]=3 3529 B18R0.7796 C=CCCCCCCCOCC(=O)N(C)CCCC 7a_100000730831_100000230175 [0,2,0,0,0,0|1,0,0]=3 3530 B18R0.7796 C=CCCCCCCCSCC(=O)N(C)CCCC 62a_100000230175_100012355270 [0,2,0,0,0,0|1,0,0]=3 3531 B18R0.7796 C=CCCCCCCCSCC(=O)N(C)CCCC 62a_100012355270_100000230175 [0,2,0,0,0,0|1,0,0]=3 3532 B18R0.19321 C#CCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000087357_100000211628 [0,2,0,0,0,0|0,0,2]=4 3533 B18R0.19321 C=CCCCCCCCC(=O)CC(=O)CCCCC 1458a_100011216160_200012276598 [0,2,0,0,0,0|1,0,0]=3 3534 B18R0.19321 C=CCCCCCCCC(=O)CC(=O)NCCCC 1458a_100011216160_100000182744 [0,2,0,0,0,0|1,0,0]=3 3535 B18R0.19321 C=CCCCCCCCC(=O)CC(=O)NCCOC 1458a_100011216160_100000183275 [0,2,0,0,0,0|2,0,0]=4 3536 B18R0.19321 C=CCCCCCCCC(=O)CC(=O)OCCCC 1458a_100011216160_100000211628 [0,2,0,0,0,0|0,0,0]=2 3537 B18R0.19321 C=CCCCCCCCC(=O)CC(=O)OCCOC 1458a_100011216160_200000040189 [0,2,0,0,0,0|1,0,0]=3 3538 B18R0.19321 C=CCCCCCCCN(C)CC(=O)NCCCC 2230a_200000213093_100012355270 [0,2,0,0,0,0|1,0,0]=3 3539 B18R0.19321 C=CCCCCCCCN(C)CC(=O)NCCCC 269982a_200000213093_100012355270 [0,2,0,0,0,0|1,0,0]=3 3540 B18R0.19321 C=CCCCCCCCN(C)CC(=O)NCCOC 2230a_100020672463_100012355270 [0,2,0,0,0,0|2,0,0]=4 3541 B18R0.19321 C=CCCCCCCCN(C)CC(=O)NCCOC 269982a_100020672463_100012355270 [0,2,0,0,0,0|2,0,0]=4 3542 B18R0.19321 CCCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000210558_100000211628 [0,2,0,0,0,0|0,0,2]=4 3543 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCCC 2230a_100000232482_100000211628 [0,2,0,0,0,0|0,0,2]=4 3544 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCCC 269982a_100000232482_100000211628 [0,2,0,0,0,0|0,0,2]=4 3545 B18R0.19788 C#CCCCCCCCCOCC(=O)OCCCC 34a_100000065265_100000211628 [0,2,0,0,0,0|0,0,2]=4 3546 B18R0.19788 C#CCCCCCCCCOCC(=O)OCCCC 7a_100000065265_100000211628 [0,2,0,0,0,0|0,0,2]=4 3547 B18R0.19788 C#CCOCCCCCCOCC(=O)OCCCC 34a_200011021349_100000211628 [0,2,0,0,0,0|0,0,2]=4 3548 B18R0.19788 C#CCOCCCCCCOCC(=O)OCCCC 7a_200011021349_100000211628 [0,2,0,0,0,0|0,0,2]=4 3549 B18R0.19788 C=CCCCCCCCCCCC(=O)C#CCCC 1458a_200011218047_100011093070 [0,2,0,0,0,0|1,0,1]=4 3550 B18R0.19788 C=CCCCCCCCCCNC(=O)C#CCCC 240690a_100000081888_200011218047 [0,2,0,0,0,0|1,0,1]=4 3551 B18R0.19788 C=CCCCCCCCCCNC(=O)C=CCCC 11a_100000081888_100000212230 [0,2,0,0,0,0|1,0,1]=4 3552 B18R0.19788 C=CCCCCCCCCCNC(=O)C=CCCC 1626a_100000081888_100000212230 [0,2,0,0,0,0|1,0,1]=4 3553 B18R0.19788 C=CCCCCCCCCCNC(=O)C=CCCC 240690a_100000081888_100000212230 [0,2,0,0,0,0|1,0,1]=4 3554 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 11a_100000081888_100000212188 [0,2,0,0,0,0|1,0,0]=3 3555 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 1626a_100000081888_100000212188 [0,2,0,0,0,0|1,0,0]=3 3556 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 240690a_100000081888_100000212188 [0,2,0,0,0,0|1,0,0]=3 3557 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 527a_100000081888_100000212188 [0,2,0,0,0,0|1,0,0]=3 3558 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCO 1626a_100000081888_100000695505 [0,2,0,0,0,0|2,0,0]=4 3559 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCOC 11a_100000081888_100000741012 [0,2,0,0,0,0|2,0,0]=4 3560 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCOC 1626a_100000081888_100000741012 [0,2,0,0,0,0|2,0,0]=4 3561 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCOC 240690a_100000081888_100000741012 [0,2,0,0,0,0|2,0,0]=4 3562 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCOC 527a_100000081888_100000741012 [0,2,0,0,0,0|2,0,0]=4 3563 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCSC 11a_100000081888_100000173376 [0,2,0,0,0,0|2,0,0]=4 3564 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCSC 1626a_100000081888_100000173376 [0,2,0,0,0,0|2,0,0]=4 3565 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCSC 240690a_100000081888_100000173376 [0,2,0,0,0,0|2,0,0]=4 3566 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCSC 527a_100000081888_100000173376 [0,2,0,0,0,0|2,0,0]=4 3567 B18R0.19788 C=CCCCCCCCCCNC(=O)CCOCC 11a_100000081888_100000749530 [0,2,0,0,0,0|2,0,0]=4 3568 B18R0.19788 C=CCCCCCCCCCNC(=O)CCOCC 1626a_100000081888_100000749530 [0,2,0,0,0,0|2,0,0]=4 3569 B18R0.19788 C=CCCCCCCCCCNC(=O)CCOCC 240690a_100000081888_100000749530 [0,2,0,0,0,0|2,0,0]=4 3570 B18R0.19788 C=CCCCCCCCCCNC(=O)CCOCC 527a_100000081888_100000749530 [0,2,0,0,0,0|2,0,0]=4 3571 B18R0.19788 C=CCCCCCCCCCNC(=O)CCSCC 11a_100000081888_100000230768 [0,2,0,0,0,0|2,0,0]=4 3572 B18R0.19788 C=CCCCCCCCCCNC(=O)CCSCC 1626a_100000081888_100000230768 [0,2,0,0,0,0|2,0,0]=4 3573 B18R0.19788 C=CCCCCCCCCCNC(=O)CCSCC 240690a_100000081888_100000230768 [0,2,0,0,0,0|2,0,0]=4 3574 B18R0.19788 C=CCCCCCCCCCNC(=O)CCSCC 527a_100000081888_100000230768 [0,2,0,0,0,0|2,0,0]=4 3575 B18R0.19788 C=CCCCCCCCCCNC(=O)COCCC 11a_100000081888_100000745993 [0,2,0,0,0,0|2,0,0]=4 3576 B18R0.19788 C=CCCCCCCCCCNC(=O)COCCC 1626a_100000081888_100000745993 [0,2,0,0,0,0|2,0,0]=4 3577 B18R0.19788 C=CCCCCCCCCCNC(=O)COCCC 240690a_100000081888_100000745993 [0,2,0,0,0,0|2,0,0]=4 3578 B18R0.19788 C=CCCCCCCCCCNC(=O)COCCC 527a_100000081888_100000745993 [0,2,0,0,0,0|2,0,0]=4 3579 B18R0.19788 C=CCCCCCCCCCNC(=O)CSCCC 11a_100000081888_100000217233 [0,2,0,0,0,0|2,0,0]=4 3580 B18R0.19788 C=CCCCCCCCCCNC(=O)CSCCC 1626a_100000081888_100000217233 [0,2,0,0,0,0|2,0,0]=4 3581 B18R0.19788 C=CCCCCCCCCCNC(=O)CSCCC 240690a_100000081888_100000217233 [0,2,0,0,0,0|2,0,0]=4 3582 B18R0.19788 C=CCCCCCCCCCNC(=O)CSCCC 527a_100000081888_100000217233 [0,2,0,0,0,0|2,0,0]=4 3583 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 2708a_100000081888_100000102301 [0,2,0,0,0,0|1,0,0]=3 3584 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000081888 [0,2,0,0,0,0|1,0,0]=3 3585 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 273464a_100000081888_100000102301 [0,2,0,0,0,0|1,0,0]=3 3586 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000081888 [0,2,0,0,0,0|1,0,0]=3 3587 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 512a_100000081888_100000102301 [0,2,0,0,0,0|1,0,0]=3 3588 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 512a_100000102301_100000081888 [0,2,0,0,0,0|1,0,0]=3 3589 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCF 2708a_100000081888_100015189416 [0,2,0,0,0,0|2,0,0]=4 3590 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCF 2708a_100015189416_100000081888 [0,2,0,0,0,0|2,0,0]=4 3591 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCF 273464a_100000081888_100015189416 [0,2,0,0,0,0|2,0,0]=4 3592 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCF 273464a_100015189416_100000081888 [0,2,0,0,0,0|2,0,0]=4 3593 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCF 512a_100000081888_100015189416 [0,2,0,0,0,0|2,0,0]=4 3594 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCF 512a_100015189416_100000081888 [0,2,0,0,0,0|2,0,0]=4 3595 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCO 2708a_100000081888_100000182051 [0,2,0,0,0,0|2,0,0]=4 3596 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCO 273464a_100000081888_100000182051 [0,2,0,0,0,0|2,0,0]=4 3597 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCO 273464a_100000182051_100000081888 [0,2,0,0,0,0|2,0,0]=4 3598 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCO 512a_100000081888_100000182051 [0,2,0,0,0,0|2,0,0]=4 3599 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCOC 2708a_100000081888_100000209980 [0,2,0,0,0,0|2,0,0]=4 3600 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCOC 273464a_100000081888_100000209980 [0,2,0,0,0,0|2,0,0]=4 3601 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCOC 273464a_100000209980_100000081888 [0,2,0,0,0,0|2,0,0]=4 3602 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCSC 2708a_100000081888_100020590264 [0,2,0,0,0,0|2,0,0]=4 3603 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCSC 2708a_100020590264_100000081888 [0,2,0,0,0,0|2,0,0]=4 3604 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCSC 273464a_100000081888_100020590264 [0,2,0,0,0,0|2,0,0]=4 3605 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCSC 273464a_100020590264_100000081888 [0,2,0,0,0,0|2,0,0]=4 3606 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCSC 512a_100000081888_100020590264 [0,2,0,0,0,0|2,0,0]=4 3607 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCSC 512a_100020590264_100000081888 [0,2,0,0,0,0|2,0,0]=4 3608 B18R0.19788 C=CCCCCCCCCCNC(=O)NNCCC 273464a_100000081888_100000740057 [0,2,0,0,0,0|2,0,0]=4 3609 B18R0.19788 C=CCCCCCCCCCNC(=O)NNCCC 512a_100000081888_100000740057 [0,2,0,0,0,0|2,0,0]=4 3610 B18R0.19788 C=CCCCCCCCCCNC(=O)NNCCC 512a_100000740057_100000081888 [0,2,0,0,0,0|2,0,0]=4 3611 B18R0.19788 C=CCCCCCCCCNCC(=O)NCCOC 2230a_100000754632_100011933949 [0,2,0,0,0,0|2,0,0]=4 3612 B18R0.19788 C=CCCCCCCCCOCC(=O)NCCCC 34a_100011215194_100000182744 [0,2,0,0,0,0|1,0,0]=3 3613 B18R0.19788 C=CCCCCCCCCOCC(=O)NCCCC 7a_100011215194_100000182744 [0,2,0,0,0,0|1,0,0]=3 3614 B18R0.19788 C=CCCCCCCCCOCC(=O)NCCOC 34a_100011215194_100000183275 [0,2,0,0,0,0|2,0,0]=4 3615 B18R0.19788 C=CCCCCCCCCOCC(=O)NCCOC 7a_100011215194_100000183275 [0,2,0,0,0,0|2,0,0]=4 3616 B18R0.19788 C=CCCCCCCCCOCC(=O)OCCCC 34a_100011215194_100000211628 [0,2,0,0,0,0|0,0,0]=2 3617 B18R0.19788 C=CCCCCCCCCOCC(=O)OCCCC 7a_100011215194_100000211628 [0,2,0,0,0,0|0,0,0]=2 3618 B18R0.19788 C=CCCCCCCCCOCC(=O)OCCOC 34a_100011215194_200000040189 [0,2,0,0,0,0|1,0,0]=3 3619 B18R0.19788 C=CCCCCCCCCOCC(=O)OCCOC 7a_100011215194_200000040189 [0,2,0,0,0,0|1,0,0]=3 3620 B18R0.19788 C=CCCCCCCCCSCC(=O)NCCCC 62a_100000182744_100011933949 [0,2,0,0,0,0|1,0,0]=3 3621 B18R0.19788 C=CCCCCCCCCSCC(=O)NCCCC 62a_100011933949_100000182744 [0,2,0,0,0,0|1,0,0]=3 3622 B18R0.19788 C=CCCCCCCCCSCC(=O)NCCOC 62a_100000183275_100011933949 [0,2,0,0,0,0|2,0,0]=4 3623 B18R0.19788 C=CCCCCCCCCSCC(=O)NCCOC 62a_100011933949_100000183275 [0,2,0,0,0,0|2,0,0]=4 3624 B18R0.19788 C=CCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100011933949 [0,2,0,0,0,0|0,0,0]=2 3625 B18R0.19788 C=CCCCCCCCCSCC(=O)OCCCC 62a_100011933949_100000211628 [0,2,0,0,0,0|0,0,0]=2 3626 B18R0.19788 C=CCCCCCCCCSCC(=O)OCCOC 62a_100011933949_200000040189 [0,2,0,0,0,0|1,0,0]=3 3627 B18R0.19788 C=CCCCCCCCCSCC(=O)OCCOC 62a_200000040189_100011933949 [0,2,0,0,0,0|1,0,0]=3 3628 B18R0.19788 CCCCCCCCCCNCC(=O)OCCCC 2230a_100000684558_100000211628 [0,2,0,0,0,0|0,0,2]=4 3629 B18R0.19788 CCCCCCCCCCNCC(=O)OCCCC 34a_100000684558_100000211628 [0,2,0,0,0,0|0,0,2]=4 3630 B18R0.19788 CCCCCCCCCCOCC(=O)OCCCC 34a_100000210711_100000211628 [0,2,0,0,0,0|0,0,2]=4 3631 B18R0.19788 CCCCCCCCCCOCC(=O)OCCCC 7a_100000210711_100000211628 [0,2,0,0,0,0|0,0,2]=4 3632 B18R0.19788 CCCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210320 [0,2,0,0,0,0|0,0,2]=4 3633 B18R0.19788 CCCCOC(=O)CNCCCCCCCCCO 2230a_100000078944_100000211628 [0,2,0,0,0,0|0,0,2]=4 3634 B18R0.19788 CCCCOC(=O)CNCCCCCCCCCO 34a_100000078944_100000211628 [0,2,0,0,0,0|0,0,2]=4 3635 B18R0.19788 CCCCOC(=O)COCCCCCCCCCBr 34a_100009813782_100000211628 [0,2,0,0,0,0|0,0,2]=4 3636 B18R0.19788 CCCCOC(=O)COCCCCCCCCCBr 7a_100009813782_100000211628 [0,2,0,0,0,0|0,0,2]=4 3637 B18R0.19788 CCCCOC(=O)COCCCCCCCCCCl 34a_100009868337_100000211628 [0,2,0,0,0,0|0,0,2]=4 3638 B18R0.19788 CCCCOC(=O)COCCCCCCCCCCl 7a_100009868337_100000211628 [0,2,0,0,0,0|0,0,2]=4 3639 B18R0.19788 CCCCOC(=O)COCCCCCCCCCN 34a_100000078944_100000211628 [0,2,0,0,0,0|0,0,2]=4 3640 B18R0.19788 CCCCOC(=O)CSCCCCCCCCCO 62a_100000211628_100009813782 [0,2,0,0,0,0|0,0,2]=4 3641 B18R0.19788 CCCCOC(=O)CSCCCCCCCCCO 62a_100009813782_100000211628 [0,2,0,0,0,0|0,0,2]=4 3642 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCCC 34a_200011024964_100000211628 [0,2,0,0,0,0|0,0,2]=4 3643 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCCC 7a_200011024964_100000211628 [0,2,0,0,0,0|0,0,2]=4 3644 B18R0.20936 C=CCCCCCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100011215473 [0,2,0,0,0,0|1,0,1]=4 3645 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCCC 34a_100000210740_100000211628 [0,2,0,0,0,0|0,0,2]=4 3646 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCCC 7a_100000210740_100000211628 [0,2,0,0,0,0|0,0,2]=4 3647 B18R0.9568 C=CCCCCO[C@H](C)C(=O)CC(=O)OCCCC 1458a_200020631580_100000211628 [0,2,0,0,0,0|1,0,1]=4 3648 B18R0.9728 C=CCCCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000700193 [0,2,0,0,0,0|0,0,1]=3 3649 B18R0.9728 C=CCCCCNC(=O)CCC(=O)OCCCCO 1626a_100000703577_200009914559 [0,2,0,0,0,0|1,0,1]=4 3650 B18R0.9728 C=CCCCCNC(=O)CCC(=O)OCCCCO 240690a_100000703577_200009914559 [0,2,0,0,0,0|1,0,1]=4 3651 B18R0.17430 C=CCCCCCCCCC(=O)CCCCB(O)O 1458a_100000211349_200009817182 [0,2,0,0,0,0|2,0,0]=4 3652 B18R0.17430 C=CCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000211349_100000735457 [0,2,0,0,0,0|1,0,0]=3 3653 B18R0.17430 C=CCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100011933949 [0,2,0,0,0,0|1,0,1]=4 3654 B18R0.17430 C=CCCCCCCCCC(=O)CCCOC(=O)C 1458a_100000211349_100000042594 [0,2,0,0,0,0|1,0,1]=4 3655 B18R0.17430 C=CCCCCCCCCC(=O)CCCOC(=S)C 1458a_100000211349_200135323944 [0,2,0,0,0,0|1,0,1]=4 3656 B18R0.17430 C=CCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000211349_100000038929 [0,2,0,0,0,0|1,0,1]=4 3657 B18R0.17430 C=CCCCCCCCCC(=O)CCOCC(F)F 1458a_100000211349_200012177212 [0,2,0,0,0,0|2,0,0]=4 3658 B18R0.17430 C=CCCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211349 [0,2,0,0,0,0|1,0,1]=4 3659 B18R0.17430 C=CCCCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000211349 [0,2,0,0,0,0|1,0,1]=4 3660 B18R0.17430 C=CCCCCCCCCC(=O)NCCCC(C)C 11a_200000737386_100000211349 [0,2,0,0,0,0|1,0,0]=3 3661 B18R0.17430 C=CCCCCCCCCC(=O)NCCCC(C)C 1626a_200000737386_100000211349 [0,2,0,0,0,0|1,0,0]=3 3662 B18R0.17430 C=CCCCCCCCCC(=O)NCCCC(C)C 240690a_200000737386_100000211349 [0,2,0,0,0,0|1,0,0]=3 3663 B18R0.17430 C=CCCCCCCCCC(=O)NCCCC(C)C 527a_200000737386_100000211349 [0,2,0,0,0,0|1,0,0]=3 3664 B18R0.17430 C=CCCCCCCCCC(=O)NCCCN(C)C 240690a_102531767803_100000211349 [0,2,0,0,0,0|1,0,0]=3 3665 B18R0.17430 C=CCCCCCCCCC(=O)NCCCN(C)C 527a_102531767803_100000211349 [0,2,0,0,0,0|1,0,0]=3 3666 B18R0.17430 C=CCCCCCCCCC(=O)NCCCS(=O)C 11a_200000753449_100000211349 [0,2,0,0,0,0|1,0,0]=3 3667 B18R0.17430 C=CCCCCCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000211349 [0,2,0,0,0,0|1,0,0]=3 3668 B18R0.17430 C=CCCCCCCCCC(=O)NCCCS(=O)C 527a_200000753449_100000211349 [0,2,0,0,0,0|1,0,0]=3 3669 B18R0.17430 C=CCCCCCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211349 [0,2,0,0,0,0|1,0,1]=4 3670 B18R0.17430 C=CCCCCCCCCC(=O)NCCNC(=O)C 527a_100000209853_100000211349 [0,2,0,0,0,0|1,0,1]=4 3671 B18R0.17430 C=CCCCCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000211349 [0,2,0,0,0,0|1,0,1]=4 3672 B18R0.17430 C=CCCCCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211349 [0,2,0,0,0,0|1,0,1]=4 3673 B18R0.17430 C=CCCCCCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000211349 [0,2,0,0,0,0|1,0,1]=4 3674 B18R0.17430 C=CCCCCCCCCC(=O)NCCOC(C)C 11a_100000701111_100000211349 [0,2,0,0,0,0|1,0,0]=3 3675 B18R0.17430 C=CCCCCCCCCC(=O)NCCOC(C)C 1626a_100000701111_100000211349 [0,2,0,0,0,0|1,0,0]=3 3676 B18R0.17430 C=CCCCCCCCCC(=O)NCCOC(C)C 240690a_100000701111_100000211349 [0,2,0,0,0,0|1,0,0]=3 3677 B18R0.17430 C=CCCCCCCCCC(=O)NCCOC(C)C 527a_100000701111_100000211349 [0,2,0,0,0,0|1,0,0]=3 3678 B18R0.17430 C=CCCCCCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000211349 [0,2,0,0,0,0|1,0,1]=4 3679 B18R0.17430 C=CCCCCCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211349 [0,2,0,0,0,0|1,0,1]=4 3680 B18R0.17430 C=CCCCCCCCCC(=O)NCCSC(=O)C 527a_100020647217_100000211349 [0,2,0,0,0,0|1,0,1]=4 3681 B18R0.17430 C=CCCCCCCCCC(=O)NCCSC(C)C 11a_100000731138_100000211349 [0,2,0,0,0,0|1,0,0]=3 3682 B18R0.17430 C=CCCCCCCCCC(=O)NCCSC(C)C 1626a_100000731138_100000211349 [0,2,0,0,0,0|1,0,0]=3 3683 B18R0.17430 C=CCCCCCCCCC(=O)NCCSC(C)C 240690a_100000731138_100000211349 [0,2,0,0,0,0|1,0,0]=3 3684 B18R0.17430 C=CCCCCCCCCC(=O)NCCSC(C)C 527a_100000731138_100000211349 [0,2,0,0,0,0|1,0,0]=3 3685 B18R0.17430 C=CCCCCCCCCC(=O)NN=CCC(C)C 4a_200000015944_100000185833 [0,2,0,0,0,0|1,0,1]=4 3686 B18R0.17430 C=CCCCCCCCCC(=O)NNCCN(C)C 22a_100000738145_100000211349 [0,2,0,0,0,0|2,0,0]=4 3687 B18R0.17438 C#CCCCCCC(=O)CCCCCCCCC=C 1458a_100000211349_100012094781 [0,2,0,0,0,0|1,0,0]=3 3688 B18R0.17438 C#CCCCCCC(=O)CCCCCCCCC=C 1458a_100000694772_100011933949 [0,2,0,0,0,0|1,0,0]=3 3689 B18R0.17438 C#CCCCCCCCCC(=O)CCOCCCC 1458a_100000029693_100000743108 [0,2,0,0,0,0|0,0,2]=4 3690 B18R0.17438 C#CCCCCNC(=O)CCCCCCCCC=C 11a_100000706060_100000211349 [0,2,0,0,0,0|1,0,0]=3 3691 B18R0.17438 C#CCCCCNC(=O)CCCCCCCCC=C 1626a_100000706060_100000211349 [0,2,0,0,0,0|1,0,0]=3 3692 B18R0.17438 C#CCCCCNC(=O)CCCCCCCCC=C 240690a_100000706060_100000211349 [0,2,0,0,0,0|1,0,0]=3 3693 B18R0.17438 C#CCCCCNC(=O)CCCCCCCCC=C 527a_100000706060_100000211349 [0,2,0,0,0,0|1,0,0]=3 3694 B18R0.17438 C#CCOCCNC(=O)CCCCCCCCC=C 11a_100000700922_100000211349 [0,2,0,0,0,0|1,0,1]=4 3695 B18R0.17438 C#CCOCCNC(=O)CCCCCCCCC=C 1626a_100000700922_100000211349 [0,2,0,0,0,0|1,0,1]=4 3696 B18R0.17438 C#CCOCCNC(=O)CCCCCCCCC=C 240690a_100000700922_100000211349 [0,2,0,0,0,0|1,0,1]=4 3697 B18R0.17438 C#CCOCCNC(=O)CCCCCCCCC=C 527a_100000700922_100000211349 [0,2,0,0,0,0|1,0,1]=4 3698 B18R0.17438 C=CCCCCCCCCC(=O)C#CCCCCC 1458a_100011215388_100011933949 [0,2,0,0,0,0|1,0,0]=3 3699 B18R0.17438 C=CCCCCCCCCC(=O)C=C/C=C/CCC 1458a_200016258893_100011933949 [0,2,0,0,0,0|1,0,1]=4 3700 B18R0.17438 C=CCCCCCCCCC(=O)CCCCCC#N 1458a_100000211349_100009813376 [0,2,0,0,0,0|1,0,0]=3 3701 B18R0.17438 C=CCCCCCCCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100011933949 [0,2,0,0,0,0|2,0,0]=4 3702 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCC#N 11a_100000751965_100000211349 [0,2,0,0,0,0|1,0,0]=3 3703 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCC#N 1626a_100000751965_100000211349 [0,2,0,0,0,0|1,0,0]=3 3704 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCC#N 240690a_100000751965_100000211349 [0,2,0,0,0,0|1,0,0]=3 3705 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCC#N 527a_100000751965_100000211349 [0,2,0,0,0,0|1,0,0]=3 3706 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCC=C 11a_100000703577_100000211349 [0,2,0,0,0,0|1,0,0]=3 3707 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCC=C 1626a_100000703577_100000211349 [0,2,0,0,0,0|1,0,0]=3 3708 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCC=C 240690a_100000703577_100000211349 [0,2,0,0,0,0|1,0,0]=3 3709 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCC=C 527a_100000703577_100000211349 [0,2,0,0,0,0|1,0,0]=3 3710 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCCC 11a_100000210581_100000211349 [0,2,0,0,0,0|1,0,0]=3 3711 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCCC 1626a_100000210581_100000211349 [0,2,0,0,0,0|1,0,0]=3 3712 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCCC 240690a_100000210581_100000211349 [0,2,0,0,0,0|1,0,0]=3 3713 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCCC 527a_100000210581_100000211349 [0,2,0,0,0,0|1,0,0]=3 3714 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCCO 240690a_100000762737_100000211349 [0,2,0,0,0,0|1,0,0]=3 3715 B18R0.17438 C=CCCCCCCCCC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100000211349 [0,2,0,0,0,0|2,0,0]=4 3716 B18R0.17438 C=CCCCCCCCCC(=O)NCCCOC=C 11a_100000210767_100000211349 [0,2,0,0,0,0|1,0,1]=4 3717 B18R0.17438 C=CCCCCCCCCC(=O)NCCCOC=C 1626a_100000210767_100000211349 [0,2,0,0,0,0|1,0,1]=4 3718 B18R0.17438 C=CCCCCCCCCC(=O)NCCCOC=C 240690a_100000210767_100000211349 [0,2,0,0,0,0|1,0,1]=4 3719 B18R0.17438 C=CCCCCCCCCC(=O)NCCCOC=C 527a_100000210767_100000211349 [0,2,0,0,0,0|1,0,1]=4 3720 B18R0.17438 C=CCCCCCCCCC(=O)NCCCOCC 11a_100000210961_100000211349 [0,2,0,0,0,0|1,0,0]=3 3721 B18R0.17438 C=CCCCCCCCCC(=O)NCCCOCC 1626a_100000210961_100000211349 [0,2,0,0,0,0|1,0,0]=3 3722 B18R0.17438 C=CCCCCCCCCC(=O)NCCCOCC 240690a_100000210961_100000211349 [0,2,0,0,0,0|1,0,0]=3 3723 B18R0.17438 C=CCCCCCCCCC(=O)NCCCOCC 527a_100000210961_100000211349 [0,2,0,0,0,0|1,0,0]=3 3724 B18R0.17438 C=CCCCCCCCCC(=O)NCCOCCC 1626a_100161115042_100000211349 [0,2,0,0,0,0|1,0,0]=3 3725 B18R0.17438 C=CCCCCCCCCC(=O)NCCOCCC 240690a_100161115042_100000211349 [0,2,0,0,0,0|1,0,0]=3 3726 B18R0.17438 C=CCCCCCCCCC(=O)NCCOCCC 527a_100161115042_100000211349 [0,2,0,0,0,0|1,0,0]=3 3727 B18R0.17438 C=CCCCCCCCCC(=O)NCCOCCO 240690a_100000211614_100000211349 [0,2,0,0,0,0|1,0,0]=3 3728 B18R0.17438 C=CCCCCCCCCC(=O)NCCSCCC 11a_100020603323_100000211349 [0,2,0,0,0,0|1,0,0]=3 3729 B18R0.17438 C=CCCCCCCCCC(=O)NCCSCCC 240690a_100020603323_100000211349 [0,2,0,0,0,0|1,0,0]=3 3730 B18R0.17438 C=CCCCCCCCCC(=O)NCCSCCC 527a_100020603323_100000211349 [0,2,0,0,0,0|1,0,0]=3 3731 B18R0.17438 C=CCCCCCCCCC(=O)NCCSCCO 240690a_100011219999_100000211349 [0,2,0,0,0,0|1,0,0]=3 3732 B18R0.17438 C=CCCCCCCCCC(=O)NCCSCCO 527a_100011219999_100000211349 [0,2,0,0,0,0|1,0,0]=3 3733 B18R0.17438 C=CCCCCCCCCC(=O)NN=CCCCC 4a_200000015944_100000210104 [0,2,0,0,0,0|1,0,0]=3 3734 B18R0.17438 C=CCCCCCCCCC(=O)NN=CCCSC 4a_200000015944_100000210997 [0,2,0,0,0,0|1,0,1]=4 3735 B18R0.17438 C=CCCCCCCCCC(=O)NNCCCCC 22a_100000694160_100000211349 [0,2,0,0,0,0|1,0,0]=3 3736 B18R0.17438 C=CCCCCCCCCC(=O)NNCCCOC 22a_100025702787_100000211349 [0,2,0,0,0,0|1,0,0]=3 3737 B18R0.17438 C=CCCCCCCCCC(=O)NNCCOCC 22a_100000732670_100000211349 [0,2,0,0,0,0|1,0,0]=3 3738 B18R0.17438 C=CCCCCCCOCC(=O)NCCCCCC 34a_200011216477_100000230325 [0,2,0,0,0,0|2,0,0]=4 3739 B18R0.17438 C=CCCCCCCOCC(=O)NCCCCCC 7a_200011216477_100000230325 [0,2,0,0,0,0|2,0,0]=4 3740 B18R0.17438 C=CCCCCCCSCC(=O)NCCCCCC 62a_100000230325_100011215473 [0,2,0,0,0,0|2,0,0]=4 3741 B18R0.19210 C=CCCCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100011933949 [0,2,0,0,0,0|1,0,1]=4 3742 B18R0.19210 C=CCCCCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100011933949 [0,2,0,0,0,0|1,0,1]=4 3743 B18R0.19210 C=CCCCCCCCCC(=O)COC(=O)CCC 1458a_100000211349_100000034017 [0,2,0,0,0,0|0,0,1]=3 3744 B18R0.19210 C=CCCCCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000211349 [0,2,0,0,0,0|1,0,1]=4 3745 B18R0.19210 C=CCCCCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211349 [0,2,0,0,0,0|1,0,1]=4 3746 B18R0.19210 C=CCCCCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211349 [0,2,0,0,0,0|1,0,1]=4 3747 B18R0.19210 C=CCCCCCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000211349 [0,2,0,0,0,0|1,0,1]=4 3748 B18R0.19210 C=CCCCCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211349 [0,2,0,0,0,0|1,0,1]=4 3749 B18R0.19210 C=CCCCCCCCCC(=O)NCC(O)COC 240690a_100000756049_100000211349 [0,2,0,0,0,0|1,0,0]=3 3750 B18R0.19210 C=CCCCCCCCCC(=O)NCC(O)COC 527a_100000756049_100000211349 [0,2,0,0,0,0|1,0,0]=3 3751 B18R0.19210 C=CCCCCCCCCC(=O)NN=C(C)CCC 4a_200000015944_100000211909 [0,2,0,0,0,0|1,0,1]=4 3752 B18R0.19210 C=CCCCCCCCCC(=O)NNC(=O)CCC 22a_100000189770_100000211349 [0,2,0,0,0,0|1,0,1]=4 3753 B18R0.19210 C=CCCCCCCCCC(=O)NNC(=O)CCC 22a_200000015944_100000211992 [0,2,0,0,0,0|1,0,1]=4 3754 B18R0.19895 C=CCCCCCCC(=O)CC(=O)NCCCCC 1458a_100011809334_100000230301 [0,2,0,0,0,0|1,0,1]=4 3755 B18R0.19895 C=CCCCCCCC(=O)CC(=O)NCCCOC 1458a_100011809334_100000183178 [0,2,0,0,0,0|1,0,1]=4 3756 B18R0.19895 C=CCCCCCCC(=O)CC(=O)OCCOCC 1458a_100011809334_200000101388 [0,2,0,0,0,0|0,0,1]=3 3757 B18R0.19895 C=CCCCCCCN(C)CC(=O)NCCCOC 2230a_100000168148_100011215473 [0,2,0,0,0,0|2,0,0]=4 3758 B18R0.19895 C=CCCCCCCN(C)CC(=O)NCCCOC 269982a_100000168148_100011215473 [0,2,0,0,0,0|2,0,0]=4 3759 B18R0.11281 C=CCCCCCCCCC(=O)CCC(OC)OC 1458a_100000211349_100000139399 [0,2,0,0,0,0|2,0,0]=4 3760 B18R0.11281 C=CCCCCCCCCC(=O)CCC(OC)OC 1458a_200000082759_100011933949 [0,2,0,0,0,0|2,0,0]=4 3761 B18R0.11281 C=CCCCCCCCCC(=O)CCN(CC)CC 1458a_100000211349_100000700428 [0,2,0,0,0,0|2,0,0]=4 3762 B18R0.11281 C=CCCCCCCCCC(=O)CCN(CC)CC 1458a_100000750416_100011933949 [0,2,0,0,0,0|2,0,0]=4 3763 B18R0.11281 C=CCCCCCCCCC(=O)COC(CC)CC 1458a_100012002705_100011933949 [0,2,0,0,0,0|2,0,0]=4 3764 B18R0.11281 C=CCCCCCCCCC(=O)NCC(CC)CC 11a_100102946423_100000211349 [0,2,0,0,0,0|1,0,0]=3 3765 B18R0.11281 C=CCCCCCCCCC(=O)NCC(CC)CC 1626a_100102946423_100000211349 [0,2,0,0,0,0|1,0,0]=3 3766 B18R0.11281 C=CCCCCCCCCC(=O)NCC(CC)CC 240690a_100102946423_100000211349 [0,2,0,0,0,0|1,0,0]=3 3767 B18R0.11281 C=CCCCCCCCCC(=O)NCC(CC)CC 527a_100102946423_100000211349 [0,2,0,0,0,0|1,0,0]=3 3768 B18R0.11281 C=CCCCCCCCCC(=O)NCC(CC)OC 11a_100000731041_100000211349 [0,2,0,0,0,0|1,0,0]=3 3769 B18R0.11281 C=CCCCCCCCCC(=O)NCC(CC)OC 1626a_100000731041_100000211349 [0,2,0,0,0,0|1,0,0]=3 3770 B18R0.11281 C=CCCCCCCCCC(=O)NCC(CC)OC 240690a_100000731041_100000211349 [0,2,0,0,0,0|1,0,0]=3 3771 B18R0.11281 C=CCCCCCCCCC(=O)NCC(CC)OC 527a_100000731041_100000211349 [0,2,0,0,0,0|1,0,0]=3 3772 B18R0.11281 C=CCCCCCCCCC(=O)NCC(OC)OC 11a_100000210479_100000211349 [0,2,0,0,0,0|2,0,0]=4 3773 B18R0.11281 C=CCCCCCCCCC(=O)NCC(OC)OC 1626a_100000210479_100000211349 [0,2,0,0,0,0|2,0,0]=4 3774 B18R0.11281 C=CCCCCCCCCC(=O)NCC(OC)OC 240690a_100000210479_100000211349 [0,2,0,0,0,0|2,0,0]=4 3775 B18R0.11281 C=CCCCCCCCCC(=O)NCC(OC)OC 527a_100000210479_100000211349 [0,2,0,0,0,0|2,0,0]=4 3776 B18R0.11281 C=CCCCCCCCCC(=O)NNC(CC)CC 22a_100000756293_100000211349 [0,2,0,0,0,0|2,0,0]=4 3777 B18R0.19180 C=CCCCCCCCCC(=O)C(=O)NC(C)CC 1458a_200011297154_100011933949 [0,2,0,0,0,0|2,0,0]=4 3778 B18R0.19180 C=CCCCCCCCCC(=O)C(C)CN(C)CC 1458a_200015185930_100011933949 [0,2,0,0,0,0|2,0,0]=4 3779 B18R0.19180 C=CCCCCCCCCC(=O)N(C)CC(C)CC 11a_100000753921_100000211349 [0,2,0,0,0,0|1,0,0]=3 3780 B18R0.19180 C=CCCCCCCCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000211349 [0,2,0,0,0,0|1,0,0]=3 3781 B18R0.19180 C=CCCCCCCCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000211349 [0,2,0,0,0,0|1,0,0]=3 3782 B18R0.19180 C=CCCCCCCCCC(=O)N(C)CC(C)CC 527a_100000753921_100000211349 [0,2,0,0,0,0|1,0,0]=3 3783 B18R0.19180 C=CCCCCCCCCC(=O)N(C)CC(O)CO 240690a_100011216503_100000211349 [0,2,0,0,0,0|2,0,0]=4 3784 B18R0.19180 C=CCCCCCCCCC(=O)N(C)CC(O)CO 527a_100011216503_100000211349 [0,2,0,0,0,0|2,0,0]=4 3785 B18R0.19830 C=CCCCCCCCCC(=O)CCS(=O)(=O)CC 1458a_100000211349_100000756660 [0,2,0,0,0,0|2,0,0]=4 3786 B18R0.19830 C=CCCCCCCCCC(=O)NCC(C)(C)CO 240690a_100020635058_100000211349 [0,2,0,0,0,0|2,0,0]=4 3787 B18R0.19830 C=CCCCCCCCCC(=O)NCC(C)(C)CO 527a_100020635058_100000211349 [0,2,0,0,0,0|2,0,0]=4 3788 B18R0.19830 C=CCCCCCCCCC(=O)NCC(C)(C)OC 11a_100000763424_100000211349 [0,2,0,0,0,0|2,0,0]=4 3789 B18R0.19830 C=CCCCCCCCCC(=O)NCC(C)(C)OC 1626a_100000763424_100000211349 [0,2,0,0,0,0|2,0,0]=4 3790 B18R0.19830 C=CCCCCCCCCC(=O)NCC(C)(C)OC 240690a_100000763424_100000211349 [0,2,0,0,0,0|2,0,0]=4 3791 B18R0.19830 C=CCCCCCCCCC(=O)NCC(C)(C)OC 527a_100000763424_100000211349 [0,2,0,0,0,0|2,0,0]=4 3792 B18R0.19830 C=CCCCCCCCCC(=O)NCC(F)(F)CO 240690a_100000703232_100000211349 [0,2,0,0,0,0|2,0,0]=4 3793 B18R0.19830 C=CCCCCCCCCC(=O)NCC(F)(F)CO 527a_100000703232_100000211349 [0,2,0,0,0,0|2,0,0]=4 3794 B18R0.11674 C=CCCCCCCCCC(=O)C(C)(O)CCCC 1458a_100000137666_100011933949 [0,2,0,0,0,0|1,0,0]=3 3795 B18R0.11674 C=CCCCCCCCCC(=O)C(F)(F)CCCC 1458a_100000100317_100011933949 [0,2,0,0,0,0|1,0,0]=3 3796 B18R0.17428 C=CCCCCCCCCC(=O)N(CC)CCCC 11a_100000207695_100000211349 [0,2,0,0,0,0|1,0,0]=3 3797 B18R0.17428 C=CCCCCCCCCC(=O)N(CC)CCCC 1626a_100000207695_100000211349 [0,2,0,0,0,0|1,0,0]=3 3798 B18R0.17428 C=CCCCCCCCCC(=O)N(CC)CCCC 240690a_100000207695_100000211349 [0,2,0,0,0,0|1,0,0]=3 3799 B18R0.17428 C=CCCCCCCCCC(=O)N(CC)CCCC 527a_100000207695_100000211349 [0,2,0,0,0,0|1,0,0]=3 3800 B18R0.17428 C=CCCCCCCCCC(=O)N(CC)CCOC 11a_100000731262_100000211349 [0,2,0,0,0,0|2,0,0]=4 3801 B18R0.17428 C=CCCCCCCCCC(=O)N(CC)CCOC 1626a_100000731262_100000211349 [0,2,0,0,0,0|2,0,0]=4 3802 B18R0.17428 C=CCCCCCCCCC(=O)N(CC)CCOC 240690a_100000731262_100000211349 [0,2,0,0,0,0|2,0,0]=4 3803 B18R0.17428 C=CCCCCCCCCC(=O)N(CC)CCOC 527a_100000731262_100000211349 [0,2,0,0,0,0|2,0,0]=4 3804 B18R0.17428 C=CCCCCCCOCC(=O)N(CC)CCCC 34a_200011216477_100000230192 [0,2,0,0,0,0|2,0,0]=4 3805 B18R0.17428 C=CCCCCCCOCC(=O)N(CC)CCCC 7a_200011216477_100000230192 [0,2,0,0,0,0|2,0,0]=4 3806 B18R0.17428 C=CCCCCCCSCC(=O)N(CC)CCCC 62a_100011215473_100000230192 [0,2,0,0,0,0|2,0,0]=4 3807 B18R0.85509 C=CCCCCCCC(=O)CC(=O)N(C)CCCC 1458a_100011809334_100000230175 [0,2,0,0,0,0|1,0,1]=4 3808 B16R1.643 C=CCCCCCCCOC1CCCCO1 34a_100000033831_100012355270 [1,0,0,1,0,0|1,0,1]=4 3809 B16R1.643 C=CCCCCCCNCC1CCCCO1 2230a_100000174945_100011215473 [1,0,0,1,0,0|1,0,1]=4 3810 B16R1.643 C=CCCCCCCNCC1CCCCO1 34a_100000174945_100011215473 [1,0,0,1,0,0|1,0,1]=4 3811 B16R1.643 C=CCCCCCCOCC1CCCCO1 34a_100000211370_100011215473 [1,0,0,1,0,0|1,0,1]=4 3812 B16R1.643 C=CCCCCCCOCC1CCCCO1 34a_200011216477_100000211543 [1,0,0,1,0,0|1,0,1]=4 3813 B16R1.643 C=CCCCCCCOCC1CCCCO1 7a_100000211370_100011215473 [1,0,0,1,0,0|1,0,1]=4 3814 B16R1.643 C=CCCCCCCOCC1CCCCO1 7a_200011216477_100000211543 [1,0,0,1,0,0|1,0,1]=4 3815 B16R1.643 C=CCCCCCCSCC1CCCCO1 62a_100000211543_100011215473 [1,0,0,1,0,0|1,0,1]=4 3816 B16R1.643 C=CCCCCCCSCC1CCCCO1 62a_100011215473_100000211543 [1,0,0,1,0,0|1,0,1]=4 3817 B16R1.643 C=CCCCCCNCCC1=CCCCC1 2230a_100000212019_100000700193 [1,0,0,1,0,0|2,0,0]=4 3818 B16R1.643 C=CCCCCCNCCC1=CCCCC1 34a_100000212019_100000700193 [1,0,0,1,0,0|2,0,0]=4 3819 B16R1.643 C=CCCCCCNCCC1CCCCO1 2230a_100015183643_100000700193 [1,0,0,1,0,0|1,0,1]=4 3820 B16R1.643 C=CCCCCCNCCC1CCCCO1 34a_100015183643_100000700193 [1,0,0,1,0,0|1,0,1]=4 3821 B16R1.643 CCCCOCCCCOC1C=CCCC1 7a_200000760531_100000751183 [1,0,0,1,0,0|1,0,1]=4 3822 B16R1.1193 C=CCCCCCCCCCN1CCCC1 2230a_100000188435_100009814027 [1,0,0,1,0,0|1,0,1]=4 3823 B16R1.1193 C=CCCCCCCCCCN1CCCC1 269982a_100000188435_100009814027 [1,0,0,1,0,0|1,0,1]=4 3824 B16R1.1193 C=CCCCCCCCCNC1CCCC1 2230a_100000211070_100011933949 [1,0,0,1,0,0|2,0,0]=4 3825 B16R1.1193 C=CCCCCCCCCNC1CCCC1 34a_100000211070_100011933949 [1,0,0,1,0,0|2,0,0]=4 3826 B16R1.1193 C=CCCCCCCCCOC1CCCC1 34a_100000210269_100011933949 [1,0,0,1,0,0|2,0,0]=4 3827 B16R1.1193 C=CCCCCCCCCOC1CCCC1 34a_100011215194_100000179811 [1,0,0,1,0,0|2,0,0]=4 3828 B16R1.1193 C=CCCCCCCCCOC1CCCC1 7a_100000210269_100011933949 [1,0,0,1,0,0|2,0,0]=4 3829 B16R1.1193 C=CCCCCCCCCOC1CCCC1 7a_100011215194_100000179811 [1,0,0,1,0,0|2,0,0]=4 3830 B16R1.1193 C=CCCCCCCCCSC1CCCC1 62a_100011217020_100011933949 [1,0,0,1,0,0|2,0,0]=4 3831 B16R1.1193 C=CCCCCCCCCSC1CCCC1 62a_100011933949_100000179811 [1,0,0,1,0,0|2,0,0]=4 3832 B16R1.1418 C=CCCCCCCN1CCOC[C@@H]1CC 2230a_100016988097_100011215473 [1,0,0,1,0,0|1,0,1]=4 3833 B16R1.1418 C=CCCCCCCN1CCOC[C@@H]1CC 269982a_100016988097_100011215473 [1,0,0,1,0,0|1,0,1]=4 3834 B16R1.1418 C=CCCCCCCN1CCOC[C@@H]1CC 34a_100016988097_100011215473 [1,0,0,1,0,0|1,0,1]=4 3835 B16R1.3890 C=CCCCCCCCCOCC1CC1C 34a_100000744939_100011933949 [1,0,0,1,0,0|2,0,0]=4 3836 B16R1.3890 C=CCCCCCCCCOCC1CC1C 7a_100000744939_100011933949 [1,0,0,1,0,0|2,0,0]=4 3837 B16R1.3891 C=CCCCCCCCCCNC1CCC1 2230a_100000749019_100009814027 [1,0,0,1,0,0|1,0,1]=4 3838 B16R1.3891 C=CCCCCCCCCCNC1CCC1 270004a_100000081888_100000241760 [1,0,0,1,0,0|1,0,1]=4 3839 B16R1.3891 C=CCCCCCCCCCNC1CCC1 34a_100000081888_100000749161 [1,0,0,1,0,0|1,0,1]=4 3840 B16R1.3891 C=CCCCCCCCCCNC1CCC1 34a_100000749019_100009814027 [1,0,0,1,0,0|1,0,1]=4 3841 B16R1.3891 C=CCCCCCCCCCOC1CCC1 34a_100000038209_100000749161 [1,0,0,1,0,0|0,0,1]=3 3842 B16R1.3891 C=CCCCCCCCCCOC1CCC1 34a_100000748187_100009814027 [1,0,0,1,0,0|0,0,1]=3 3843 B16R1.3891 C=CCCCCCCCCCOC1COC1 34a_100000038209_100009818527 [1,0,0,1,0,0|1,0,1]=4 3844 B16R1.3891 C=CCCCCCCCCCOC1COC1 7a_100000038209_100009818527 [1,0,0,1,0,0|1,0,1]=4 3845 B16R1.3891 C=CCCCCCCCCCOC1CSC1 7a_100000072292_100009814027 [1,0,0,1,0,0|1,0,1]=4 3846 B16R1.3891 C=CCCCCCCCCCSC1CCC1 62a_100009814027_100000749161 [1,0,0,1,0,0|0,1,1]=4 3847 B16R1.3891 C=CCCCCCCCCNCC1CCC1 2230a_100000738700_100011933949 [1,0,0,1,0,0|2,0,0]=4 3848 B16R1.3891 C=CCCCCCCCCNCC1CCC1 34a_100000738700_100011933949 [1,0,0,1,0,0|2,0,0]=4 3849 B16R1.3891 C=CCCCCCCCCOCC1CCC1 34a_100000760304_100011933949 [1,0,0,1,0,0|2,0,0]=4 3850 B16R1.3891 C=CCCCCCCCCOCC1CCC1 34a_100011215194_100000763275 [1,0,0,1,0,0|2,0,0]=4 3851 B16R1.3891 C=CCCCCCCCCOCC1CCC1 7a_100011215194_100000763275 [1,0,0,1,0,0|2,0,0]=4 3852 B16R1.3891 C=CCCCCCCCCSCC1CCC1 62a_100000763275_100011933949 [1,0,0,1,0,0|2,0,0]=4 3853 B16R1.3891 C=CCCCCCCCCSCC1CCC1 62a_100011933949_100000763275 [1,0,0,1,0,0|2,0,0]=4 3854 B16R1.6680 C=CCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011933949 [1,0,0,1,0,0|2,0,0]=4 3855 B16R1.6680 C=CCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011933949 [1,0,0,1,0,0|2,0,0]=4 3856 B16R1.6680 C=CCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011933949 [1,0,0,1,0,0|2,0,0]=4 3857 B16R1.6680 C=CCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011933949 [1,0,0,1,0,0|2,0,0]=4 3858 B16R1.6680 C=CCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100011933949 [1,0,0,1,0,0|2,0,0]=4 3859 B16R1.6688 C=CCCCCCCCCCN1CCC1C 269982a_100000755817_100009814027 [1,0,0,1,0,0|1,0,1]=4 3860 B16R1.6688 C=CCCCCCCCCCN1CCC1C 34a_100000755817_100009814027 [1,0,0,1,0,0|1,0,1]=4 3861 B16R1.8379 CCCCOCCOC1C=CCCCCC1 34a_100000688657_100000743108 [1,0,0,1,0,0|1,0,1]=4 3862 B16R1.17455 C=CCCCCCCCCC=NNC1CC1 4a_100000701032_100000039675 [1,0,0,1,0,0|2,0,0]=4 3863 B16R1.17455 C=CCCCCCCCCCNCC1CC1 2230a_100000081888_100000742324 [1,0,0,1,0,0|1,0,1]=4 3864 B16R1.17455 C=CCCCCCCCCCNCC1CC1 2230a_100000735609_100009814027 [1,0,0,1,0,0|1,0,1]=4 3865 B16R1.17455 C=CCCCCCCCCCNCC1CC1 269862a_100000081888_100000741477 [1,0,0,1,0,0|1,0,1]=4 3866 B16R1.17455 C=CCCCCCCCCCNCC1CC1 34a_100000081888_100000742324 [1,0,0,1,0,0|1,0,1]=4 3867 B16R1.17455 C=CCCCCCCCCCNCC1CC1 34a_100000735609_100009814027 [1,0,0,1,0,0|1,0,1]=4 3868 B16R1.17455 C=CCCCCCCCCCOCC1CC1 34a_100000038209_100000742324 [1,0,0,1,0,0|0,0,1]=3 3869 B16R1.17455 C=CCCCCCCCCCOCC1CC1 34a_100000211283_100009814027 [1,0,0,1,0,0|0,0,1]=3 3870 B16R1.17455 C=CCCCCCCCCCOCC1CC1 7a_100000038209_100000742324 [1,0,0,1,0,0|0,0,1]=3 3871 B16R1.17455 C=CCCCCCCCCCOCC1CO1 34a_100000038209_102125554688 [1,0,0,1,0,0|1,0,1]=4 3872 B16R1.17455 C=CCCCCCCCCCOCC1CO1 7a_100000038209_102125554688 [1,0,0,1,0,0|1,0,1]=4 3873 B16R1.17455 C=CCCCCCCCCCOCC1CS1 7a_100000038209_100000031435 [1,0,0,1,0,0|1,0,1]=4 3874 B16R1.17455 C=CCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100009814027 [1,0,0,1,0,0|1,0,1]=4 3875 B16R1.17455 C=CCCCCCCCCCOC[C@@H]1CO1 7a_100000038209_100000745022 [1,0,0,1,0,0|1,0,1]=4 3876 B16R1.17455 C=CCCCCCCCCCSCC1CC1 62a_100000756562_100009814027 [1,0,0,1,0,0|0,1,1]=4 3877 B16R1.17455 C=CCCCCCCCCCSCC1CC1 62a_100009814027_100000742324 [1,0,0,1,0,0|0,1,1]=4 3878 B16R1.17455 C=CCCCCCCCCNCCC1CC1 34a_100000764129_100011933949 [1,0,0,1,0,0|2,0,0]=4 3879 B16R1.17455 C=CCCCCCCCCOCCC1CC1 34a_100000754188_100011933949 [1,0,0,1,0,0|2,0,0]=4 3880 B16R1.17455 C=CCCCCCCCCOCCC1CC1 34a_100011215194_100000694398 [1,0,0,1,0,0|2,0,0]=4 3881 B16R1.17455 C=CCCCCCCCCOCCC1CC1 7a_100000754188_100011933949 [1,0,0,1,0,0|2,0,0]=4 3882 B16R1.17455 C=CCCCCCCCCOCCC1CC1 7a_100011215194_100000764125 [1,0,0,1,0,0|2,0,0]=4 3883 B16R1.17455 C=CCCCCCCCCSCCC1CC1 62a_100000764125_100011933949 [1,0,0,1,0,0|2,0,0]=4 3884 B16R1.17455 C=CCCCCCCCCSCCC1CC1 62a_100011933949_100000764125 [1,0,0,1,0,0|2,0,0]=4 3885 B16R1.709 C=CCCCCCCCC(=O)C1=CCCC1 1458a_100000038896_100012355270 [1,0,0,1,0,0|1,0,1]=4 3886 B16R1.709 C=CCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100012355270 [1,0,0,1,0,0|1,0,0]=3 3887 B16R1.709 C=CCCCCCCCC(=O)C1CCCC1 1458a_100011216160_100000179811 [1,0,0,1,0,0|1,0,0]=3 3888 B16R1.709 C=CCCCCCCCC(=O)C1CCCS1 1458a_100012002731_100012355270 [1,0,0,1,0,0|2,0,0]=4 3889 B16R1.709 C=CCCCCCCCC(=O)C1CCOC1 1458a_100011216160_100000690089 [1,0,0,1,0,0|2,0,0]=4 3890 B16R1.709 C=CCCCCCCCC(=O)C1CCOC1 1458a_100011219752_100012355270 [1,0,0,1,0,0|2,0,0]=4 3891 B16R1.709 C=CCCCCCCCC(=O)N1CCCC1 240690a_100000188435_100011216160 [1,0,0,1,0,0|1,0,0]=3 3892 B16R1.709 C=CCCCCCCCC(=O)N1CCCC1 527a_100000188435_100011216160 [1,0,0,1,0,0|1,0,0]=3 3893 B16R1.709 C=CCCCCCCCC(=O)N1CCSC1 11a_100011215254_100011216160 [1,0,0,1,0,0|2,0,0]=4 3894 B16R1.709 C=CCCCCCCCC(=O)N1CCSC1 240690a_100011215254_100011216160 [1,0,0,1,0,0|2,0,0]=4 3895 B16R1.709 C=CCCCCCCCC(=O)N1CCSC1 527a_100011215254_100011216160 [1,0,0,1,0,0|2,0,0]=4 3896 B16R1.709 C=CCCCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100012355270 [1,0,0,1,0,0|2,0,0]=4 3897 B16R1.709 C=CCCCCCNCC(=O)N1CCCC1 2230a_100000751844_100000700193 [1,0,0,1,0,0|2,0,0]=4 3898 B16R1.709 C=CCCCCCOCC(=O)N1CCCC1 34a_100011216702_100000183516 [1,0,0,1,0,0|2,0,0]=4 3899 B16R1.709 C=CCCCCCOCC(=O)N1CCCC1 7a_100011216702_100000183516 [1,0,0,1,0,0|2,0,0]=4 3900 B16R1.709 C=CCCCCCOCC(=O)N1CCCC1 7a_200000752455_100000700193 [1,0,0,1,0,0|2,0,0]=4 3901 B16R1.709 C=CCCCCCSCC(=O)N1CCCC1 62a_100000183516_100000700193 [1,0,0,1,0,0|2,0,0]=4 3902 B16R1.709 C=CCCCCCSCC(=O)N1CCCC1 62a_100000700193_100000183516 [1,0,0,1,0,0|2,0,0]=4 3903 B16R1.709 C=CCCCCNCCC(=O)N1CCCC1 2230a_100000703577_100011194422 [1,0,0,1,0,0|2,0,0]=4 3904 B16R1.709 C=CCCCCNCCC(=O)N1CCCC1 34a_100000703577_100011194422 [1,0,0,1,0,0|2,0,0]=4 3905 B16R1.709 C=CCCCCOCCC(=O)N1CCCC1 34a_100000766645_100011194422 [1,0,0,1,0,0|2,0,0]=4 3906 B16R1.709 C=CCCCCOCCC(=O)N1CCCC1 7a_100000766645_100011194422 [1,0,0,1,0,0|2,0,0]=4 3907 B16R1.709 C=CCCCCSCCC(=O)N1CCCC1 62a_100011194422_100011215482 [1,0,0,1,0,0|2,0,0]=4 3908 B16R1.709 C=CCCCCSCCC(=O)N1CCCC1 62a_100011215482_100011194422 [1,0,0,1,0,0|2,0,0]=4 3909 B16R1.709 CCCCCCCCCC(=O)C1CCCC1 1458a_100000210558_100000179811 [1,0,0,1,0,0|1,0,1]=4 3910 B16R1.709 CCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100000210670 [1,0,0,1,0,0|1,0,1]=4 3911 B16R1.709 CCCCCCCCCC(=O)N1CCCC1 240690a_100000188435_100000210558 [1,0,0,1,0,0|1,0,1]=4 3912 B16R1.709 CCCCCCCCCC(=O)N1CCCC1 527a_100000188435_100000210558 [1,0,0,1,0,0|1,0,1]=4 3913 B16R1.709 O=C(CCCCCCCCO)C1CCCC1 1458a_100000210718_100000033203 [1,0,0,1,0,0|2,0,0]=4 3914 B16R1.709 O=C(CCCCCCCCO)N1CCCC1 240690a_100000188435_100000015970 [1,0,0,1,0,0|2,0,0]=4 3915 B16R1.1694 CCCCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210326 [1,0,0,1,0,0|1,0,1]=4 3916 B16R1.1694 CCCCCC(=O)CCCC1CCCCC1 1458a_100000212188_100011713725 [1,0,0,1,0,0|1,0,1]=4 3917 B16R1.1694 CCCCNC(=O)CCCC1CCCCC1 11a_100000102301_100000211478 [1,0,0,1,0,0|1,0,1]=4 3918 B16R1.1694 CCCCNC(=O)CCCC1CCCCC1 1626a_100000102301_100000211478 [1,0,0,1,0,0|1,0,1]=4 3919 B16R1.1694 CCCCNC(=O)CCCC1CCCCC1 240690a_100000102301_100000211478 [1,0,0,1,0,0|1,0,1]=4 3920 B16R1.1694 CCCCNC(=O)CCCC1CCCCC1 527a_100000102301_100000211478 [1,0,0,1,0,0|1,0,1]=4 3921 B16R1.1694 CCCCOC(=O)CNCC1CCCCC1 2230a_100000210473_100000211628 [1,0,0,1,0,0|1,0,1]=4 3922 B16R1.1694 CCCCOC(=O)CNCC1CCCCC1 34a_100000210473_100000211628 [1,0,0,1,0,0|1,0,1]=4 3923 B16R1.1694 CCCCOC(=O)CNCC1CCCCO1 2230a_100000174945_100000211628 [1,0,0,1,0,0|2,0,0]=4 3924 B16R1.1694 CCCCOC(=O)CNCC1CCCCO1 34a_100000174945_100000211628 [1,0,0,1,0,0|2,0,0]=4 3925 B16R1.1694 CCCCOC(=O)COCC1CCCCC1 34a_100000212181_100000211628 [1,0,0,1,0,0|1,0,1]=4 3926 B16R1.1694 CCCCOC(=O)COCC1CCCCC1 7a_100000212181_100000211628 [1,0,0,1,0,0|1,0,1]=4 3927 B16R1.1694 CCCCOC(=O)COCC1CCCCN1 34a_100000210821_100000211628 [1,0,0,1,0,0|2,0,0]=4 3928 B16R1.1694 CCCCOC(=O)COCC1CCCCO1 34a_100000211370_100000211628 [1,0,0,1,0,0|2,0,0]=4 3929 B16R1.1694 CCCCOC(=O)COCC1CCCCO1 7a_100000211370_100000211628 [1,0,0,1,0,0|2,0,0]=4 3930 B16R1.1694 CCCCOC(=O)CSCC1CCCCC1 62a_100000211423_100000211628 [1,0,0,1,0,0|1,0,1]=4 3931 B16R1.1694 CCCCOC(=O)CSCC1CCCCC1 62a_100000211628_100000211423 [1,0,0,1,0,0|1,0,1]=4 3932 B16R1.1694 CCCCOC(=O)CSCC1CCCCO1 62a_100000211543_100000211628 [1,0,0,1,0,0|2,0,0]=4 3933 B16R1.1694 CCCCOC(=O)CSCC1CCCCO1 62a_100000211628_100000211543 [1,0,0,1,0,0|2,0,0]=4 3934 B16R1.1696 CCCCOC(=O)CNC1CCCCC1C 2230a_100000211402_100000211628 [1,0,0,1,0,0|1,0,1]=4 3935 B16R1.1696 CCCCOC(=O)CNC1CCCCC1C 34a_100000211402_100000211628 [1,0,0,1,0,0|1,0,1]=4 3936 B16R1.1696 CCCCOC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000211628 [1,0,0,1,0,0|2,0,0]=4 3937 B16R1.1696 CCCCOC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000211628 [1,0,0,1,0,0|2,0,0]=4 3938 B16R1.1696 CCCCOC(=O)COC1CCCCC1=O 34a_100011214950_100000211628 [1,0,0,1,0,0|2,0,0]=4 3939 B16R1.1696 CCCCOC(=O)COC1CCCCC1C 34a_100000211207_100000211628 [1,0,0,1,0,0|1,0,1]=4 3940 B16R1.1696 CCCCOC(=O)COC1CCCCC1C 7a_100000211207_100000211628 [1,0,0,1,0,0|1,0,1]=4 3941 B16R1.1696 CCCCOC(=O)COC1CCCCC1Cl 34a_100000038908_100000211628 [1,0,0,1,0,0|2,0,0]=4 3942 B16R1.1696 CCCCOC(=O)COC1CCCCC1Cl 7a_100000038908_100000211628 [1,0,0,1,0,0|2,0,0]=4 3943 B16R1.1696 CCCCOC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000211628 [1,0,0,1,0,0|2,0,0]=4 3944 B16R1.1696 CCCCOC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000211628 [1,0,0,1,0,0|2,0,0]=4 3945 B16R1.1696 CCCCOC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000211628 [1,0,0,1,0,0|2,0,0]=4 3946 B16R1.1696 CCCCOC(=O)CSC1CCCCC1=O 62a_100000204591_100000211628 [1,0,0,1,0,0|2,0,0]=4 3947 B16R1.1696 CCCCOC(=O)CSC1CCCCC1=O 62a_100000211628_100000204591 [1,0,0,1,0,0|2,0,0]=4 3948 B16R1.1696 CCCCOC(=O)CSC1CCCCC1F 62a_100000211628_100015423560 [1,0,0,1,0,0|2,0,0]=4 3949 B16R1.1696 CCCCOC(=O)CSC1CCCCC1F 62a_100015423560_100000211628 [1,0,0,1,0,0|2,0,0]=4 3950 B16R1.1696 CCCCOC(=O)CSC1CCCCC1O 62a_100000038908_100000211628 [1,0,0,1,0,0|2,0,0]=4 3951 B16R1.1696 CCCCOC(=O)CSC1CCCCC1O 62a_100000211628_100000038908 [1,0,0,1,0,0|2,0,0]=4 3952 B16R1.1711 CCCCOC(=O)CNCCC1CCCC1 2230a_100000739158_100000211628 [1,0,0,1,0,0|1,0,1]=4 3953 B16R1.1711 CCCCOC(=O)CNCCC1CCCC1 34a_100000739158_100000211628 [1,0,0,1,0,0|1,0,1]=4 3954 B16R1.1711 CCCCOC(=O)COCCC1CCCC1 34a_100000749090_100000211628 [1,0,0,1,0,0|1,0,1]=4 3955 B16R1.1711 CCCCOC(=O)COCCC1CCCC1 7a_100000749090_100000211628 [1,0,0,1,0,0|1,0,1]=4 3956 B16R1.1711 CCCCOC(=O)CSCCC1CCCC1 62a_100000211628_100000760354 [1,0,0,1,0,0|1,0,1]=4 3957 B16R1.1711 CCCCOC(=O)CSCCC1CCCC1 62a_100000760354_100000211628 [1,0,0,1,0,0|1,0,1]=4 3958 B16R1.3424 CCCCOC(=O)CNC1CCCCCC1 2230a_100000210984_100000211628 [1,0,0,1,0,0|1,0,1]=4 3959 B16R1.3424 CCCCOC(=O)CNC1CCCCCC1 34a_100000210984_100000211628 [1,0,0,1,0,0|1,0,1]=4 3960 B16R1.3424 CCCCOC(=O)COC1CCCCCC1 34a_100000210887_100000211628 [1,0,0,1,0,0|1,0,1]=4 3961 B16R1.3424 CCCCOC(=O)COC1CCCCCC1 7a_100000210887_100000211628 [1,0,0,1,0,0|1,0,1]=4 3962 B16R1.3424 CCCCOC(=O)CSC1CCCCCC1 62a_100000211628_100011217769 [1,0,0,1,0,0|1,0,1]=4 3963 B16R1.3424 CCCCOC(=O)CSC1CCCCCC1 62a_100011217769_100000211628 [1,0,0,1,0,0|1,0,1]=4 3964 B16R1.3660 CCCCOC(=O)CN1CCCCCCC1 2230a_100000211400_100000211628 [1,0,0,1,0,0|1,0,1]=4 3965 B16R1.3660 CCCCOC(=O)CN1CCCCCCC1 269982a_100000211400_100000211628 [1,0,0,1,0,0|1,0,1]=4 3966 B16R1.3660 CCCCOC(=O)CN1CCCCCCC1 34a_100000211400_100000211628 [1,0,0,1,0,0|1,0,1]=4 3967 B16R1.7390 CCCCOC(=O)CSCCC1CCC1=O 62a_100000211628_200016118888 [1,0,0,1,0,0|2,0,0]=4 3968 B16R1.7390 CCCCOC(=O)CSCCC1CCC1=O 62a_200016118888_100000211628 [1,0,0,1,0,0|2,0,0]=4 3969 B16R1.7391 CCCCOC(=O)CN1CCCCC1CC 2230a_100000210034_100000211628 [1,0,0,1,0,0|1,0,1]=4 3970 B16R1.7391 CCCCOC(=O)CN1CCCCC1CC 269982a_100000210034_100000211628 [1,0,0,1,0,0|1,0,1]=4 3971 B16R1.7391 CCCCOC(=O)CN1CCCCC1CC 34a_100000210034_100000211628 [1,0,0,1,0,0|1,0,1]=4 3972 B16R1.7391 CCCCOC(=O)CN1CCCCC1CO 2230a_100000210821_100000211628 [1,0,0,1,0,0|2,0,0]=4 3973 B16R1.7391 CCCCOC(=O)CN1CCCCC1CO 269982a_100000210821_100000211628 [1,0,0,1,0,0|2,0,0]=4 3974 B16R1.7391 CCCCOC(=O)CN1CCCCC1CO 34a_100000210821_100000211628 [1,0,0,1,0,0|2,0,0]=4 3975 B16R1.13656 C=CCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100012355270 [1,0,0,1,0,0|1,0,0]=3 3976 B16R1.13656 CCC1CC1C(=O)CCCCCCCCO 1458a_200011661523_100000033203 [1,0,0,1,0,0|2,0,0]=4 3977 B16R1.13656 CCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100000210670 [1,0,0,1,0,0|1,0,1]=4 3978 B16R1.13657 C=CCCCCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011216160 [1,0,0,1,0,0|2,0,0]=4 3979 B16R1.13657 C=CCCCCCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100011216160 [1,0,0,1,0,0|2,0,0]=4 3980 B16R1.13657 C=CCCCCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100011216160 [1,0,0,1,0,0|2,0,0]=4 3981 B16R1.13657 C=CCCCCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100011216160 [1,0,0,1,0,0|2,0,0]=4 3982 B16R1.13657 C=CCCCCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011216160 [1,0,0,1,0,0|2,0,0]=4 3983 B16R1.13657 C=CCCCCCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100011216160 [1,0,0,1,0,0|2,0,0]=4 3984 B16R1.13658 C=CCCCCCCCC(=O)C=C1CCC1 1458a_100000686340_100012355270 [1,0,0,1,0,0|1,0,1]=4 3985 B16R1.13658 C=CCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100012355270 [1,0,0,1,0,0|1,0,0]=3 3986 B16R1.13658 C=CCCCCCCCC(=O)CC1CCC1 1458a_100011216160_100000763275 [1,0,0,1,0,0|1,0,0]=3 3987 B16R1.13658 C=CCCCCCCCC(=O)CC1CCO1 1458a_100011216160_100000103362 [1,0,0,1,0,0|2,0,0]=4 3988 B16R1.13658 C=CCCCCCCCC(=O)CC1COC1 1458a_100000687760_100012355270 [1,0,0,1,0,0|2,0,0]=4 3989 B16R1.13658 C=CCCCCCCCC(=O)CC1COC1 1458a_100011216160_100010264016 [1,0,0,1,0,0|2,0,0]=4 3990 B16R1.13658 C=CCCCCCCCC(=O)NC1CCC1 11a_100000749019_100011216160 [1,0,0,1,0,0|1,0,0]=3 3991 B16R1.13658 C=CCCCCCCCC(=O)NC1CCC1 1626a_100000749019_100011216160 [1,0,0,1,0,0|1,0,0]=3 3992 B16R1.13658 C=CCCCCCCCC(=O)NC1CCC1 240690a_100000749019_100011216160 [1,0,0,1,0,0|1,0,0]=3 3993 B16R1.13658 C=CCCCCCCCC(=O)NC1CCC1 527a_100000749019_100011216160 [1,0,0,1,0,0|1,0,0]=3 3994 B16R1.13658 C=CCCCCCCCC(=O)NC1COC1 11a_100016991112_100011216160 [1,0,0,1,0,0|2,0,0]=4 3995 B16R1.13658 C=CCCCCCCCC(=O)NC1COC1 1626a_100016991112_100011216160 [1,0,0,1,0,0|2,0,0]=4 3996 B16R1.13658 C=CCCCCCCCC(=O)NC1COC1 240690a_100016991112_100011216160 [1,0,0,1,0,0|2,0,0]=4 3997 B16R1.13658 C=CCCCCCCCC(=O)NC1COC1 527a_100016991112_100011216160 [1,0,0,1,0,0|2,0,0]=4 3998 B16R1.13658 C=CCCCCCCCC(=O)NC1CSC1 11a_100016994217_100011216160 [1,0,0,1,0,0|2,0,0]=4 3999 B16R1.13658 C=CCCCCCCCC(=O)NC1CSC1 1626a_100016994217_100011216160 [1,0,0,1,0,0|2,0,0]=4 4000 B16R1.13658 C=CCCCCCCCC(=O)NC1CSC1 240690a_100016994217_100011216160 [1,0,0,1,0,0|2,0,0]=4 4001 B16R1.13658 C=CCCCCCCCC(=O)NC1CSC1 527a_100016994217_100011216160 [1,0,0,1,0,0|2,0,0]=4 4002 B16R1.13658 CCCCCCCCCC(=O)CC1CCC1 1458a_100000210558_100000763275 [1,0,0,1,0,0|1,0,1]=4 4003 B16R1.13658 CCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100000210670 [1,0,0,1,0,0|1,0,1]=4 4004 B16R1.13658 CCCCCCCCCC(=O)NC1CCC1 11a_100000749019_100000210558 [1,0,0,1,0,0|1,0,1]=4 4005 B16R1.13658 CCCCCCCCCC(=O)NC1CCC1 1626a_100000749019_100000210558 [1,0,0,1,0,0|1,0,1]=4 4006 B16R1.13658 CCCCCCCCCC(=O)NC1CCC1 240690a_100000749019_100000210558 [1,0,0,1,0,0|1,0,1]=4 4007 B16R1.13658 CCCCCCCCCC(=O)NC1CCC1 527a_100000749019_100000210558 [1,0,0,1,0,0|1,0,1]=4 4008 B16R1.13658 O=C(CCCCCCCCO)CC1CCC1 1458a_100000763092_100000033203 [1,0,0,1,0,0|2,0,0]=4 4009 B16R1.13658 O=C(CCCCCCCCO)NC1CCC1 240690a_100000749019_100000015970 [1,0,0,1,0,0|2,0,0]=4 4010 B16R1.13659 C=CCCCCCCCC(=O)C=CC1CC1 1458a_100102529529_100012355270 [1,0,0,1,0,0|1,0,1]=4 4011 B16R1.13659 C=CCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100012355270 [1,0,0,1,0,0|1,0,0]=3 4012 B16R1.13659 C=CCCCCCCCC(=O)CCC1CC1 1458a_100011216160_100000694398 [1,0,0,1,0,0|1,0,0]=3 4013 B16R1.13659 C=CCCCCCCCC(=O)CCC1CO1 1458a_100011216160_100000732470 [1,0,0,1,0,0|2,0,0]=4 4014 B16R1.13659 C=CCCCCCCCC(=O)NCC1CC1 11a_100000735609_100011216160 [1,0,0,1,0,0|1,0,0]=3 4015 B16R1.13659 C=CCCCCCCCC(=O)NCC1CC1 1626a_100000735609_100011216160 [1,0,0,1,0,0|1,0,0]=3 4016 B16R1.13659 C=CCCCCCCCC(=O)NCC1CC1 240690a_100000735609_100011216160 [1,0,0,1,0,0|1,0,0]=3 4017 B16R1.13659 C=CCCCCCCCC(=O)NCC1CC1 527a_100000735609_100011216160 [1,0,0,1,0,0|1,0,0]=3 4018 B16R1.13659 C=CCCCCCCCC(=O)NNC1CC1 22a_100000701032_100011216160 [1,0,0,1,0,0|2,0,0]=4 4019 B16R1.13659 CCCCCCCCCC(=O)CCC1CC1 1458a_100000210558_100000694398 [1,0,0,1,0,0|1,0,1]=4 4020 B16R1.13659 CCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100000210670 [1,0,0,1,0,0|1,0,1]=4 4021 B16R1.13659 CCCCCCCCCC(=O)NCC1CC1 11a_100000735609_100000210558 [1,0,0,1,0,0|1,0,1]=4 4022 B16R1.13659 CCCCCCCCCC(=O)NCC1CC1 1626a_100000735609_100000210558 [1,0,0,1,0,0|1,0,1]=4 4023 B16R1.13659 CCCCCCCCCC(=O)NCC1CC1 240690a_100000735609_100000210558 [1,0,0,1,0,0|1,0,1]=4 4024 B16R1.13659 CCCCCCCCCC(=O)NCC1CC1 527a_100000735609_100000210558 [1,0,0,1,0,0|1,0,1]=4 4025 B16R1.13659 O=C(CCCCCCCCO)CCC1CC1 1458a_100000756386_100000033203 [1,0,0,1,0,0|2,0,0]=4 4026 B16R1.13659 O=C(CCCCCCCCO)NCC1CC1 240690a_100000735609_100000015970 [1,0,0,1,0,0|2,0,0]=4 4027 B16R1.13660 C=CCCCCCCCC(=O)N1CCC1C 11a_100000755817_100011216160 [1,0,0,1,0,0|1,0,0]=3 4028 B16R1.13660 C=CCCCCCCCC(=O)N1CCC1C 240690a_100000755817_100011216160 [1,0,0,1,0,0|1,0,0]=3 4029 B16R1.13660 C=CCCCCCCCC(=O)N1CCC1C 527a_100000755817_100011216160 [1,0,0,1,0,0|1,0,0]=3 4030 B16R1.13660 CC1CCN1C(=O)CCCCCCCCO 240690a_100000755817_100000015970 [1,0,0,1,0,0|2,0,0]=4 4031 B16R1.13660 CCCCCCCCCC(=O)N1CCC1C 11a_100000755817_100000210558 [1,0,0,1,0,0|1,0,1]=4 4032 B16R1.13660 CCCCCCCCCC(=O)N1CCC1C 240690a_100000755817_100000210558 [1,0,0,1,0,0|1,0,1]=4 4033 B16R1.13660 CCCCCCCCCC(=O)N1CCC1C 527a_100000755817_100000210558 [1,0,0,1,0,0|1,0,1]=4 4034 B16R1.642 C=CCCCCCCCCN1CC[C@H](C1)C 2230a_100016987628_100011933949 [1,0,0,1,0,0|2,0,0]=4 4035 B16R1.642 C=CCCCCCCCCN1CC[C@H](C1)C 269982a_100016987628_100011933949 [1,0,0,1,0,0|2,0,0]=4 4036 B16R1.642 C=CCCCCCCCCN1CC[C@H](C1)C 34a_100016987628_100011933949 [1,0,0,1,0,0|2,0,0]=4 4037 B16R1.1453 CCCCC(=O)CCN1CCCCCC1=O 1458a_200011207554_100000210211 [1,0,0,1,0,0|2,0,0]=4 4038 B16R1.1453 CCCOC(=O)CSC1CCCCCC1=O 62a_100000243696_200011215008 [1,0,0,1,0,0|2,0,0]=4 4039 B16R1.1453 CCCOC(=O)CSC1CCCCCC1=O 62a_200011215008_100000243696 [1,0,0,1,0,0|2,0,0]=4 4040 B16R1.1465 CCCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000210211 [1,0,0,1,0,0|0,0,2]=4 4041 B16R1.1465 CCCNC(=O)CCCSC1C=CCCC1 62a_100000751183_100011194427 [1,0,0,1,0,0|2,0,0]=4 4042 B16R1.1465 CCCNC(=O)CCCSC1C=CCCC1 62a_100011194427_100000751183 [1,0,0,1,0,0|2,0,0]=4 4043 B16R1.4473 CCCCC(=O)CCCN1CCCCC1=O 1458a_100011236284_100000210211 [1,0,0,1,0,0|2,0,0]=4 4044 B16R1.4473 CCCOC(=O)COCC1CCCCC1=O 34a_100009861125_200011215008 [1,0,0,1,0,0|2,0,0]=4 4045 B16R1.4473 CCCOC(=O)COCC1CCCCC1=O 7a_100009861125_200011215008 [1,0,0,1,0,0|2,0,0]=4 4046 B16R1.8377 C=CCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100011215473 [1,0,0,1,0,0|2,0,0]=4 4047 B16R1.18042 C#CCCCCCCCCC(=O)C1CCC1 1458a_100000029693_100000749161 [1,0,0,1,0,0|0,0,2]=4 4048 B16R1.18042 C=CCCCCCCCCC(=O)C1CCC1 1458a_100000209988_100011933949 [1,0,0,1,0,0|0,0,0]=2 4049 B16R1.18042 C=CCCCCCCCCC(=O)C1CCC1 1458a_100000211349_100000749161 [1,0,0,1,0,0|0,0,0]=2 4050 B16R1.18042 C=CCCCCCCCCC(=O)C1CCO1 1458a_100000089072_100011933949 [1,0,0,1,0,0|1,0,0]=3 4051 B16R1.18042 C=CCCCCCCCCC(=O)C1COC1 1458a_100000211349_100000687716 [1,0,0,1,0,0|1,0,0]=3 4052 B16R1.18042 C=CCCCCCCCCC(=O)C1COC1 1458a_100000758290_100011933949 [1,0,0,1,0,0|1,0,0]=3 4053 B16R1.18042 C=CCCCCCCCCC(=O)N1CCC1 11a_100000754969_100000211349 [1,0,0,1,0,0|1,0,0]=3 4054 B16R1.18042 C=CCCCCCCCCC(=O)N1CCC1 240690a_100000754969_100000211349 [1,0,0,1,0,0|1,0,0]=3 4055 B16R1.18042 C=CCCCCCCCCC(=O)N1CCC1 527a_100000754969_100000211349 [1,0,0,1,0,0|1,0,0]=3 4056 B16R1.18042 C=CCCCCCCCCN(C)C1CCC1 2230a_100000758072_100011933949 [1,0,0,1,0,0|2,0,0]=4 4057 B16R1.18042 C=CCCCCCCCCN(C)C1CCC1 269982a_100000758072_100011933949 [1,0,0,1,0,0|2,0,0]=4 4058 B16R1.18042 C=CCCCCCCCCN(C)C1CCC1 34a_100000758072_100011933949 [1,0,0,1,0,0|2,0,0]=4 4059 B16R1.18042 C=CCCCCCCOCC(=O)C1CCC1 34a_200011216477_100000686122 [1,0,0,1,0,0|1,0,0]=3 4060 B16R1.18042 C=CCCCCCCOCC(=O)C1CCC1 7a_200011216477_100000686122 [1,0,0,1,0,0|1,0,0]=3 4061 B16R1.18042 C=CCCCCCCOCC(=O)N1CCC1 34a_200011216477_100000185095 [1,0,0,1,0,0|2,0,0]=4 4062 B16R1.18042 C=CCCCCCCOCC(=O)N1CCC1 7a_200011216477_100000185095 [1,0,0,1,0,0|2,0,0]=4 4063 B16R1.18042 C=CCCCCCCSCC(=O)C1CCC1 62a_100000686122_100011215473 [1,0,0,1,0,0|1,0,0]=3 4064 B16R1.18042 C=CCCCCCCSCC(=O)C1CCC1 62a_100011215473_100000686122 [1,0,0,1,0,0|1,0,0]=3 4065 B16R1.18042 C=CCCCCCCSCC(=O)N1CCC1 62a_100000185095_100011215473 [1,0,0,1,0,0|2,0,0]=4 4066 B16R1.18042 C=CCCCCCCSCC(=O)N1CCC1 62a_100011215473_100000185095 [1,0,0,1,0,0|2,0,0]=4 4067 B16R1.18042 C=CCCCCNCCNC(=O)C1CCC1 2230a_100000723847_100011215482 [1,0,0,1,0,0|2,0,0]=4 4068 B16R1.18042 C=CCCCCNCCNC(=O)C1CCC1 34a_100000723847_100011215482 [1,0,0,1,0,0|2,0,0]=4 4069 B16R1.18042 CCCCCCCCCCC(=O)C1CCC1 1458a_100000209988_100000210319 [1,0,0,1,0,0|0,0,2]=4 4070 B16R1.18042 CCCCCCCCCCC(=O)C1CCC1 1458a_100000210375_100000749161 [1,0,0,1,0,0|0,0,2]=4 4071 B16R1.18042 O=C(CCCCCCCCCF)C1CCC1 1458a_200009909015_100000749161 [1,0,0,1,0,0|1,0,1]=4 4072 B16R1.18042 O=C(CCCCCCCCCO)C1CCC1 1458a_100000209988_100009813782 [1,0,0,1,0,0|1,0,1]=4 4073 B16R1.18044 C#CCCCCCCCCC(=O)CC1CC1 1458a_100000029693_100000742324 [1,0,0,1,0,0|0,0,2]=4 4074 B16R1.18044 C=CCCCCCCCCC(=O)CC1CC1 1458a_100000211349_100000742324 [1,0,0,1,0,0|0,0,0]=2 4075 B16R1.18044 C=CCCCCCCCCC(=O)CC1CC1 1458a_100000738066_100011933949 [1,0,0,1,0,0|0,0,0]=2 4076 B16R1.18044 C=CCCCCCCCCC(=O)CC1CO1 1458a_100000211349_100011216344 [1,0,0,1,0,0|1,0,0]=3 4077 B16R1.18044 C=CCCCCCCCCC(=O)CC1CS1 1458a_100000211349_100000031435 [1,0,0,1,0,0|1,0,0]=3 4078 B16R1.18044 C=CCCCCCCCCC(=O)C[C@@H]1CO1 1458a_100000211349_100000745022 [1,0,0,1,0,0|1,0,0]=3 4079 B16R1.18044 C=CCCCCCCCCC(=O)NC1CC1 1626a_100000212008_100000211349 [1,0,0,1,0,0|1,0,0]=3 4080 B16R1.18044 C=CCCCCCCCCC(=O)NC1CC1 240690a_100000212008_100000211349 [1,0,0,1,0,0|1,0,0]=3 4081 B16R1.18044 C=CCCCCCCCCC(=O)NC1CC1 527a_100000212008_100000211349 [1,0,0,1,0,0|1,0,0]=3 4082 B16R1.18044 C=CCCCCCCCCN(C)CC1CC1 2230a_100000741881_100011933949 [1,0,0,1,0,0|2,0,0]=4 4083 B16R1.18044 C=CCCCCCCCCN(C)CC1CC1 269982a_100000741881_100011933949 [1,0,0,1,0,0|2,0,0]=4 4084 B16R1.18044 C=CCCCCCCNCC(=O)NC1CC1 2230a_100000702991_100011215473 [1,0,0,1,0,0|2,0,0]=4 4085 B16R1.18044 C=CCCCCCCOCC(=O)NC1CC1 34a_200011216477_100000182950 [1,0,0,1,0,0|2,0,0]=4 4086 B16R1.18044 C=CCCCCCCOCC(=O)NC1CC1 7a_200011216477_100000182950 [1,0,0,1,0,0|2,0,0]=4 4087 B16R1.18044 C=CCCCCCCSCC(=O)NC1CC1 62a_100000182950_100011215473 [1,0,0,1,0,0|2,0,0]=4 4088 B16R1.18044 C=CCCCCCCSCC(=O)NC1CC1 62a_100011215473_100000182950 [1,0,0,1,0,0|2,0,0]=4 4089 B16R1.18044 C=CCCCCCOCCC(=O)NC1CC1 34a_100011216702_100000737409 [1,0,0,1,0,0|2,0,0]=4 4090 B16R1.18044 C=CCCCCCSCCC(=O)NC1CC1 62a_100000700193_100000737409 [1,0,0,1,0,0|2,0,0]=4 4091 B16R1.18044 C=CCCCCCSCCC(=O)NC1CC1 62a_100000737409_100000700193 [1,0,0,1,0,0|2,0,0]=4 4092 B16R1.18044 CCCCCCCCCCC(=O)CC1CC1 1458a_100000210375_100000742324 [1,0,0,1,0,0|0,0,2]=4 4093 B16R1.18044 CCCCCCCCCCC(=O)CC1CC1 1458a_100000738066_100000210319 [1,0,0,1,0,0|0,0,2]=4 4094 B16R1.18044 O=C(CCCCCCCCCF)CC1CC1 1458a_200009909015_100000742324 [1,0,0,1,0,0|1,0,1]=4 4095 B16R1.18044 O=C(CCCCCCCCCO)CC1CC1 1458a_100000738066_100009813782 [1,0,0,1,0,0|1,0,1]=4 4096 B16R1.20336 C=CCCCCCCCCN1CC(C1)CC 2230a_100015205115_100011933949 [1,0,0,1,0,0|2,0,0]=4 4097 B16R1.20336 C=CCCCCCCCCN1CC(C1)CC 269982a_100015205115_100011933949 [1,0,0,1,0,0|2,0,0]=4 4098 B16R1.20727 CCCNC(=O)COC1C=CCCCCC1 34a_100000688657_100000183358 [1,0,0,1,0,0|2,0,0]=4 4099 B16R1.20727 CCCOC(=O)COC1C=CCCCCC1 34a_100000688657_200011215008 [1,0,0,1,0,0|1,0,0]=3 4100 B16R1.23409 C=CCCCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000700193 [1,0,0,1,0,0|2,0,0]=4 4101 B16R1.23409 C=CCCCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000700193 [1,0,0,1,0,0|2,0,0]=4 4102 B16R1.23409 C=CCCCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000700193 [1,0,0,1,0,0|2,0,0]=4 4103 B16R1.78618 C=CCCCCN1CCNC(=O)C1CCC 2230a_200000695202_100011215482 [1,0,0,1,0,0|2,0,0]=4 4104 B16R1.78618 C=CCCCCN1CCNC(=O)C1CCC 269982a_200000695202_100011215482 [1,0,0,1,0,0|2,0,0]=4 4105 B16R1.78618 C=CCCCCN1CCNC(=O)C1CCC 34a_200000695202_100011215482 [1,0,0,1,0,0|2,0,0]=4 4106 B16R1.88231 C=CCCCCCCCCC(=O)C1CC1C 1458a_100000211227_100011933949 [1,0,0,1,0,0|0,0,0]=2 4107 B16R1.88231 C=CCCCCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011933949 [1,0,0,1,0,0|1,0,0]=3 4108 B16R1.88231 CC1CC1C(=O)CCCCCCCCCO 1458a_100000211227_100009813782 [1,0,0,1,0,0|1,0,1]=4 4109 B16R1.88231 CCCCCCCCCCC(=O)C1CC1C 1458a_100000211227_100000210319 [1,0,0,1,0,0|0,0,2]=4 4110 B18R1.2547 C=CCN1CCC(C1)COCC(=O)OCCCC 34a_100011652569_100000211628 [0,1,0,1,0,0|2,0,0]=4 4111 B18R1.3010 CCCCOC(=O)COCC1CCCCCCC1 34a_100011216312_100000211628 [0,1,0,1,0,0|0,0,2]=4 4112 B18R1.3010 CCCCOC(=O)COCC1CCCCCCC1 7a_100011216312_100000211628 [0,1,0,1,0,0|0,0,2]=4 4113 B18R1.5216 C=CCCCCC(=O)CCCC(=O)N1CCCC1 1458a_100000199733_100011215482 [0,1,0,1,0,0|1,0,1]=4 4114 B18R1.7206 CCCCOCC(=O)CCN1CCCCCC1=O 1458a_200011207554_100011995733 [0,1,0,1,0,0|2,0,0]=4 4115 B18R1.7206 CCOCCOC(=O)CSC1CCCCCC1=O 62a_100000243696_200000101388 [0,1,0,1,0,0|2,0,0]=4 4116 B18R1.7206 CCOCCOC(=O)CSC1CCCCCC1=O 62a_200000101388_100000243696 [0,1,0,1,0,0|2,0,0]=4 4117 B18R1.1145 C=CCCCCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100011933949 [0,1,0,1,0,0|1,0,0]=3 4118 B18R1.1145 C=CCCCCCCCCC(=O)C1CCN(C1)C 1458a_100000739633_100011933949 [0,1,0,1,0,0|2,0,0]=4 4119 B18R1.1145 C=CCCCCCCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211349 [0,1,0,1,0,0|1,0,0]=3 4120 B18R1.1145 C=CCCCCCCCCC(=O)N1CCC(C1)O 527a_100011215560_100000211349 [0,1,0,1,0,0|1,0,0]=3 4121 B18R1.1145 C=CCCCCCCCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000211349 [0,1,0,1,0,0|1,0,0]=3 4122 B18R1.1145 C=CCCCCCCCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000211349 [0,1,0,1,0,0|1,0,0]=3 4123 B18R1.1145 C=CCCCCCCCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211349 [0,1,0,1,0,0|1,0,0]=3 4124 B18R1.1145 C=CCCCCCCCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000211349 [0,1,0,1,0,0|1,0,0]=3 4125 B18R1.1145 C=CCCCCCCCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211349 [0,1,0,1,0,0|1,0,0]=3 4126 B18R1.1145 C=CCCCCCCCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211349 [0,1,0,1,0,0|1,0,0]=3 4127 B18R1.1145 C=CCCCCCCCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211349 [0,1,0,1,0,0|1,0,0]=3 4128 B18R1.13568 C=CCCCCCCCCC(=O)CC#CC1CC1 1458a_100000211349_100009895102 [0,1,0,1,0,0|1,0,1]=4 4129 B18R1.13568 C=CCCCCCCCCC(=O)CCCC1CO1 1458a_100000211349_100000733510 [0,1,0,1,0,0|1,0,0]=3 4130 B18R1.13568 C=CCCCCCCCCC(=O)CSCC1CC1 1458a_200011316215_100011933949 [0,1,0,1,0,0|0,1,0]=3 4131 B18R1.13568 C=CCCCCCCCCC(=O)NCCC1CC1 1626a_100000764129_100000211349 [0,1,0,1,0,0|1,0,0]=3 4132 B18R1.13568 C=CCCCCCCCCC(=O)NCCC1CC1 240690a_100000764129_100000211349 [0,1,0,1,0,0|1,0,0]=3 4133 B18R1.13568 C=CCCCCCCCCC(=O)NCCC1CC1 527a_100000764129_100000211349 [0,1,0,1,0,0|1,0,0]=3 4134 B18R1.13568 C=CCCCCCCCCC(=O)NN=CC1CC1 4a_200000015944_100000741477 [0,1,0,1,0,0|1,0,1]=4 4135 B18R1.13568 C=CCCCCCCCCC(=O)NNCC1CC1 22a_100000736359_100000211349 [0,1,0,1,0,0|1,0,0]=3 4136 B18R1.36736 C=CCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100000211349_100009874392 [0,1,0,1,0,0|1,0,1]=4 4137 B18R1.36736 C=CCCCCCCCCC(=O)NC1CC(=C)C1 11a_100132301982_100000211349 [0,1,0,1,0,0|1,0,1]=4 4138 B18R1.36736 C=CCCCCCCCCC(=O)NC1CC(=C)C1 1626a_100132301982_100000211349 [0,1,0,1,0,0|1,0,1]=4 4139 B18R1.36736 C=CCCCCCCCCC(=O)NC1CC(=C)C1 527a_100132301982_100000211349 [0,1,0,1,0,0|1,0,1]=4 4140 B18R1.36736 C=CCCCCCCCCC(=O)NC1CC(C1)F 11a_100016993743_100000211349 [0,1,0,1,0,0|1,0,0]=3 4141 B18R1.36736 C=CCCCCCCCCC(=O)NC1CC(C1)F 1626a_100016993743_100000211349 [0,1,0,1,0,0|1,0,0]=3 4142 B18R1.36736 C=CCCCCCCCCC(=O)NC1CC(C1)F 240690a_100016993743_100000211349 [0,1,0,1,0,0|1,0,0]=3 4143 B18R1.36736 C=CCCCCCCCCC(=O)NC1CC(C1)F 527a_100016993743_100000211349 [0,1,0,1,0,0|1,0,0]=3 4144 B18R1.36736 C=CCCCCCCCCC(=O)NC1CN(C1)C 240690a_100015196640_100000211349 [0,1,0,1,0,0|2,0,0]=4 4145 B18R1.36736 C=CCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000211349 [0,1,0,1,0,0|1,0,0]=3 4146 B18R1.36736 C=CCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000211349 [0,1,0,1,0,0|1,0,0]=3 4147 B18R1.36736 C=CCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000211349 [0,1,0,1,0,0|1,0,0]=3 4148 B18R1.36736 C=CCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000211349 [0,1,0,1,0,0|1,0,0]=3 4149 B18R1.262400 C=CCCCCCCCCC(=O)CC1CC1(F)F 1458a_100000138109_100011933949 [0,1,0,1,0,0|2,0,0]=4 4150 B18R1.262400 C=CCCCCCCCCC(=O)CC1CC1(F)F 1458a_100000211349_100009817841 [0,1,0,1,0,0|2,0,0]=4 4151 B18R1.262400 C=CCCCCCCCCC(=O)NC1CC1(F)F 1626a_100020610826_100000211349 [0,1,0,1,0,0|2,0,0]=4 4152 B18R1.262400 C=CCCCCCCCCC(=O)NC1CC1(F)F 240690a_100020610826_100000211349 [0,1,0,1,0,0|2,0,0]=4 4153 B18R1.262400 C=CCCCCCCCCC(=O)NC1CC1(F)F 527a_100020610826_100000211349 [0,1,0,1,0,0|2,0,0]=4 4154 B18R1.2590 CCCCOC(=O)CN1CCCCCC1C(=O)O 269956a_100000758484_100000211628 [0,1,0,1,0,0|2,0,0]=4 4155 B18R1.7036 CCCCOC(=O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000211628 [0,1,0,1,0,0|2,0,0]=4 4156 B18R1.10160 CCCCOC(=O)CN1CCCCC1CC(=O)N 2230a_100015184752_100000211628 [0,1,0,1,0,0|2,0,0]=4 4157 B18R1.10160 CCCCOC(=O)CN1CCCCC1CC(=O)N 269982a_100015184752_100000211628 [0,1,0,1,0,0|2,0,0]=4 4158 B18R1.10160 CCCCOC(=O)CN1CCCCC1CC(=O)N 34a_100015184752_100000211628 [0,1,0,1,0,0|2,0,0]=4 4159 B18R1.352 C=CCCCCCCCCC(=O)C=C1CCCC1 1458a_100000743260_100011933949 [0,1,0,1,0,0|1,0,0]=3 4160 B18R1.352 C=CCCCCCCCCC(=O)CC1=CCCC1 1458a_100000050221_100011933949 [0,1,0,1,0,0|1,0,1]=4 4161 B18R1.352 C=CCCCCCCCCC(=O)CC1C=CCC1 1458a_100000212241_100011933949 [0,1,0,1,0,0|1,0,1]=4 4162 B18R1.352 C=CCCCCCCCCC(=O)CC1CC=CC1 1458a_200000137526_100011933949 [0,1,0,1,0,0|1,0,1]=4 4163 B18R1.352 C=CCCCCCCCCC(=O)CC1CCCC1 1458a_100000210891_100011933949 [0,1,0,1,0,0|1,0,0]=3 4164 B18R1.352 C=CCCCCCCCCC(=O)CC1CCCC1 1458a_100000211349_100000740388 [0,1,0,1,0,0|1,0,0]=3 4165 B18R1.352 C=CCCCCCCCCC(=O)CC1CCCO1 1458a_100000211349_100000203698 [0,1,0,1,0,0|1,0,0]=3 4166 B18R1.352 C=CCCCCCCCCC(=O)CC1CCOC1 1458a_100000211349_100000702531 [0,1,0,1,0,0|1,0,0]=3 4167 B18R1.352 C=CCCCCCCCCC(=O)CC1CCOC1 1458a_100011218419_100011933949 [0,1,0,1,0,0|1,0,0]=3 4168 B18R1.352 C=CCCCCCCCCC(=O)CC1OCCO1 1458a_100000211349_100000755774 [0,1,0,1,0,0|2,0,0]=4 4169 B18R1.352 C=CCCCCCCCCC(=O)CN1CCCC1 1458a_100000740243_100011933949 [0,1,0,1,0,0|1,0,0]=3 4170 B18R1.352 C=CCCCCCCCCC(=O)NC1CC=CC1 11a_100015188752_100000211349 [0,1,0,1,0,0|1,0,1]=4 4171 B18R1.352 C=CCCCCCCCCC(=O)NC1CC=CC1 1626a_100015188752_100000211349 [0,1,0,1,0,0|1,0,1]=4 4172 B18R1.352 C=CCCCCCCCCC(=O)NC1CC=CC1 240690a_100015188752_100000211349 [0,1,0,1,0,0|1,0,1]=4 4173 B18R1.352 C=CCCCCCCCCC(=O)NC1CC=CC1 527a_100015188752_100000211349 [0,1,0,1,0,0|1,0,1]=4 4174 B18R1.352 C=CCCCCCCCCC(=O)NC1CCCC1 11a_100000211070_100000211349 [0,1,0,1,0,0|1,0,0]=3 4175 B18R1.352 C=CCCCCCCCCC(=O)NC1CCCC1 1626a_100000211070_100000211349 [0,1,0,1,0,0|1,0,0]=3 4176 B18R1.352 C=CCCCCCCCCC(=O)NC1CCCC1 240690a_100000211070_100000211349 [0,1,0,1,0,0|1,0,0]=3 4177 B18R1.352 C=CCCCCCCCCC(=O)NC1CCCC1 527a_100000211070_100000211349 [0,1,0,1,0,0|1,0,0]=3 4178 B18R1.352 C=CCCCCCCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211349 [0,1,0,1,0,0|1,0,0]=3 4179 B18R1.352 C=CCCCCCCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211349 [0,1,0,1,0,0|1,0,0]=3 4180 B18R1.352 C=CCCCCCCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211349 [0,1,0,1,0,0|1,0,0]=3 4181 B18R1.352 C=CCCCCCCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211349 [0,1,0,1,0,0|1,0,0]=3 4182 B18R1.352 C=CCCCCCCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211349 [0,1,0,1,0,0|1,0,0]=3 4183 B18R1.352 C=CCCCCCCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211349 [0,1,0,1,0,0|1,0,0]=3 4184 B18R1.352 C=CCCCCCCNCC(=O)NC1CCCC1 2230a_100000747513_100011215473 [0,1,0,1,0,0|2,0,0]=4 4185 B18R1.352 C=CCCCCCCOCC(=O)NC1CCCC1 34a_200011216477_100000183512 [0,1,0,1,0,0|2,0,0]=4 4186 B18R1.352 C=CCCCCCCOCC(=O)NC1CCCC1 7a_200011216477_100000183512 [0,1,0,1,0,0|2,0,0]=4 4187 B18R1.352 C=CCCCCCCSCC(=O)NC1CCCC1 62a_100000183512_100011215473 [0,1,0,1,0,0|2,0,0]=4 4188 B18R1.352 C=CCCCCCCSCC(=O)NC1CCCC1 62a_100011215473_100000183512 [0,1,0,1,0,0|2,0,0]=4 4189 B18R1.352 C=CCCCCCOCCC(=O)NC1CCCC1 7a_100011216702_100000743710 [0,1,0,1,0,0|2,0,0]=4 4190 B18R1.352 C=CCCCCCSCCC(=O)NC1CCCC1 62a_100000700193_100000743710 [0,1,0,1,0,0|2,0,0]=4 4191 B18R1.352 C=CCCCCCSCCC(=O)NC1CCCC1 62a_100000743710_100000700193 [0,1,0,1,0,0|2,0,0]=4 4192 B18R1.36734 C=CCCCCCCCCC(=O)C1CCCC1=O 1458a_100000211349_100000211823 [0,1,0,1,0,0|1,0,1]=4 4193 B18R1.36734 C=CCCCCCCCCC(=O)C1CCCC1C 1458a_100000690547_100011933949 [0,1,0,1,0,0|1,0,0]=3 4194 B18R1.36734 C=CCCCCCCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211349 [0,1,0,1,0,0|1,0,0]=3 4195 B18R1.36734 C=CCCCCCCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211349 [0,1,0,1,0,0|1,0,0]=3 4196 B18R1.36734 C=CCCCCCCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211349 [0,1,0,1,0,0|1,0,0]=3 4197 B18R1.36734 C=CCCCCCCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211349 [0,1,0,1,0,0|1,0,0]=3 4198 B18R1.36734 C=CCCCCCCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211349 [0,1,0,1,0,0|1,0,0]=3 4199 B18R1.36734 C=CCCCCCCCCC(=O)N1CCSC1C 11a_200011216479_100000211349 [0,1,0,1,0,0|1,0,0]=3 4200 B18R1.36734 C=CCCCCCCCCC(=O)N1CCSC1C 1626a_200011216479_100000211349 [0,1,0,1,0,0|1,0,0]=3 4201 B18R1.36734 C=CCCCCCCCCC(=O)N1CCSC1C 240690a_200011216479_100000211349 [0,1,0,1,0,0|1,0,0]=3 4202 B18R1.36734 C=CCCCCCCCCC(=O)N1CCSC1C 527a_200011216479_100000211349 [0,1,0,1,0,0|1,0,0]=3 4203 B18R1.36734 C=CCCCCCCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011933949 [0,1,0,1,0,0|1,0,0]=3 4204 B18R1.40560 C=CCCCCCCCCc1nc(no1)CCC 270196a_100011193412_100000211349 [0,1,0,1,0,0|1,0,1]=4 4205 B18R1.49491 C=CCCCCCCCCC(=O)C=C(C)C1CC1 1458a_100000742917_100011933949 [0,1,0,1,0,0|1,0,1]=4 4206 B18R1.49491 C=CCCCCCCCCC(=O)CC(=O)C1CC1 1458a_100000211349_100000746382 [0,1,0,1,0,0|1,0,1]=4 4207 B18R1.49491 C=CCCCCCCCCC(=O)NC(C)C1CC1 11a_100000700016_100000211349 [0,1,0,1,0,0|1,0,0]=3 4208 B18R1.49491 C=CCCCCCCCCC(=O)NC(C)C1CC1 1626a_100000700016_100000211349 [0,1,0,1,0,0|1,0,0]=3 4209 B18R1.49491 C=CCCCCCCCCC(=O)NC(C)C1CC1 240690a_100000700016_100000211349 [0,1,0,1,0,0|1,0,0]=3 4210 B18R1.49491 C=CCCCCCCCCC(=O)NC(C)C1CC1 527a_100000700016_100000211349 [0,1,0,1,0,0|1,0,0]=3 4211 B18R1.262401 C=CCCCCCCCCC(=O)CC1(CCC1)C 1458a_100000211349_100000726658 [0,1,0,1,0,0|1,0,0]=3 4212 B18R1.262401 C=CCCCCCCCCC(=O)CC1(COC1)C 1458a_100000211349_100000066812 [0,1,0,1,0,0|2,0,0]=4 4213 B18R1.262401 C=CCCCCCCCCC(=O)NC1(CCC1)C 11a_100000692455_100000211349 [0,1,0,1,0,0|1,0,0]=3 4214 B18R1.262401 C=CCCCCCCCCC(=O)NC1(CCC1)C 1626a_100000692455_100000211349 [0,1,0,1,0,0|1,0,0]=3 4215 B18R1.262401 C=CCCCCCCCCC(=O)NC1(CCC1)C 240690a_100000692455_100000211349 [0,1,0,1,0,0|1,0,0]=3 4216 B18R1.262401 C=CCCCCCCCCC(=O)NC1(CCC1)C 527a_100000692455_100000211349 [0,1,0,1,0,0|1,0,0]=3 4217 B18R1.262401 C=CCCCCCCCCC(=O)NC1(COC1)C 11a_100000732644_100000211349 [0,1,0,1,0,0|2,0,0]=4 4218 B18R1.262401 C=CCCCCCCCCC(=O)NC1(COC1)C 1626a_100000732644_100000211349 [0,1,0,1,0,0|2,0,0]=4 4219 B18R1.262401 C=CCCCCCCCCC(=O)NC1(COC1)C 527a_100000732644_100000211349 [0,1,0,1,0,0|2,0,0]=4 4220 B18R1.2538 C=CCC(=O)C1CCCCC1C(=O)NCCCC 1458a_200000199520_100000210623 [0,1,0,1,0,0|1,0,1]=4 4221 B18R1.2545 CCCCOC(=O)CNCCCN1CCCC1=O 2230a_100000210347_100000211628 [0,1,0,1,0,0|2,0,0]=4 4222 B18R1.2545 CCCCOC(=O)CNCCCN1CCCC1=O 34a_100000210347_100000211628 [0,1,0,1,0,0|2,0,0]=4 4223 B18R1.2545 CCCCOC(=O)COCCCN1CCCC1=O 34a_100011216539_100000211628 [0,1,0,1,0,0|2,0,0]=4 4224 B18R1.2545 CCCCOC(=O)COCCCN1CCCC1=O 7a_100011216539_100000211628 [0,1,0,1,0,0|2,0,0]=4 4225 B18R1.368 C=CCCCCCCNC(C)C(=O)N1CCCC1 2230a_100000747167_100011215473 [0,1,0,1,0,0|2,0,0]=4 4226 B18R1.368 C=CCCCCCCOC(C)C(=O)N1CCCC1 7a_200011216477_100000183899 [0,1,0,1,0,0|2,0,0]=4 4227 B18R1.368 C=CCCCCCCO[C@@H](C)C(=O)N1CCCC1 34a_100009854435_100011215473 [0,1,0,1,0,0|2,0,0]=4 4228 B18R1.368 C=CCCCCCCO[C@@H](C)C(=O)N1CCCC1 7a_100009854435_100011215473 [0,1,0,1,0,0|2,0,0]=4 4229 B18R1.368 C=CCCCCCCSC(C)C(=O)N1CCCC1 62a_100000183899_100011215473 [0,1,0,1,0,0|2,0,0]=4 4230 B18R1.368 C=CCCCCCCSC(C)C(=O)N1CCCC1 62a_100011215473_100000183899 [0,1,0,1,0,0|2,0,0]=4 4231 B18R1.7563 CCCCOC(=O)C(C)OC1CCCCCC1=O 7a_100000038973_100000243696 [0,1,0,1,0,0|2,0,0]=4 4232 B18R1.7563 CCCCOC(=O)C(C)SC1CCCCCC1=O 62a_100000243696_100000759602 [0,1,0,1,0,0|2,0,0]=4 4233 B18R1.7563 CCCCOC(=O)C(C)SC1CCCCCC1=O 62a_100000759602_100000243696 [0,1,0,1,0,0|2,0,0]=4 4234 B18R1.7564 CCCCOC(=O)C(C)OCC1CCCCC1=O 34a_100009861125_100000759602 [0,1,0,1,0,0|2,0,0]=4 4235 B18R1.7564 CCCCOC(=O)C(C)OCC1CCCCC1=O 7a_100009861125_100000759602 [0,1,0,1,0,0|2,0,0]=4 4236 B18R1.21949 CCCCOC1CCCCCCCCCCC1=O 34a_100000210227_200009990614 [0,1,0,1,0,0|0,0,2]=4 4237 B18R1.21949 CCCCOC1CCCCCCCCCCC1=O 7a_100000210227_200009990614 [0,1,0,1,0,0|0,0,2]=4 4238 B18R1.76705 CCCCNC(=O)C(C)OC1C=CCCCCC1 34a_100000688657_100000735917 [0,1,0,1,0,0|2,0,0]=4 4239 B18R1.76705 CCCCOC(=O)C(C)OC1C=CCCCCC1 34a_100000688657_100000759602 [0,1,0,1,0,0|1,0,0]=3 4240 B18R1.1280 C=CCCCCCCCNC1CCCCNC1=O 2230a_100000698827_100012355270 [0,1,0,1,0,0|1,0,0]=3 4241 B18R1.1280 C=CCCCCCCCNC1CCCCNC1=O 34a_100000698827_100012355270 [0,1,0,1,0,0|1,0,0]=3 4242 B18R1.1280 C=CCCCCCCCOC1CCCCCC1=O 7a_100000730831_100000243696 [0,1,0,1,0,0|1,0,0]=3 4243 B18R1.1280 C=CCCCCCCCOC1CCCCNC1=O 7a_100000730831_100000735217 [0,1,0,1,0,0|1,0,0]=3 4244 B18R1.1280 C=CCCCCCCCSC1CCCCCC1=O 62a_100000243696_100012355270 [0,1,0,1,0,0|1,0,0]=3 4245 B18R1.1280 C=CCCCCCCCSC1CCCCCC1=O 62a_100012355270_100000243696 [0,1,0,1,0,0|1,0,0]=3 4246 B18R1.1280 C=CCCCCCCCSC1CCCCNC1=O 62a_100000735217_100012355270 [0,1,0,1,0,0|1,0,0]=3 4247 B18R1.1280 C=CCCCCCCCSC1CCCCNC1=O 62a_100012355270_100000735217 [0,1,0,1,0,0|1,0,0]=3 4248 B18R1.1280 C=CCCCCNCCCN1CCCCCC1=O 2230a_100000195386_100011215482 [0,1,0,1,0,0|2,0,0]=4 4249 B18R1.1280 C=CCCCCNCCCN1CCCCCC1=O 34a_100000195386_100011215482 [0,1,0,1,0,0|2,0,0]=4 4250 B18R1.1327 C=CCCCCCCCCCC(=O)C1=CCCC1 1458a_100000038896_100009814027 [0,1,0,1,0,0|1,0,1]=4 4251 B18R1.1327 C=CCCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100009814027 [0,1,0,1,0,0|1,0,0]=3 4252 B18R1.1327 C=CCCCCCCCCCC(=O)C1CCCS1 1458a_100012002731_100009814027 [0,1,0,1,0,0|2,0,0]=4 4253 B18R1.1327 C=CCCCCCCCCCC(=O)C1CCOC1 1458a_100011219752_100009814027 [0,1,0,1,0,0|2,0,0]=4 4254 B18R1.1327 C=CCCCCCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100009814027 [0,1,0,1,0,0|2,0,0]=4 4255 B18R1.1327 C=CCCCCCCCNCC(=O)N1CCCC1 2230a_100000751844_100012355270 [0,1,0,1,0,0|1,0,0]=3 4256 B18R1.1327 C=CCCCCCCCOCC(=O)N1CCCC1 34a_100000730831_100000183516 [0,1,0,1,0,0|1,0,0]=3 4257 B18R1.1327 C=CCCCCCCCOCC(=O)N1CCCC1 7a_100000730831_100000183516 [0,1,0,1,0,0|1,0,0]=3 4258 B18R1.1327 C=CCCCCCCCOCC(=O)N1CCCC1 7a_200000752455_100012355270 [0,1,0,1,0,0|1,0,0]=3 4259 B18R1.1327 C=CCCCCCCCSCC(=O)N1CCCC1 62a_100000183516_100012355270 [0,1,0,1,0,0|1,0,0]=3 4260 B18R1.1327 C=CCCCCCCCSCC(=O)N1CCCC1 62a_100012355270_100000183516 [0,1,0,1,0,0|1,0,0]=3 4261 B18R1.1327 C=CCCCCCCOCCC(=O)N1CCCC1 34a_200011216477_100011194422 [0,1,0,1,0,0|1,0,0]=3 4262 B18R1.1327 C=CCCCCCCOCCC(=O)N1CCCC1 7a_200011216477_100011194422 [0,1,0,1,0,0|1,0,0]=3 4263 B18R1.1327 C=CCCCCCCSCCC(=O)N1CCCC1 62a_100011194422_100011215473 [0,1,0,1,0,0|1,0,0]=3 4264 B18R1.1327 C=CCCCCCCSCCC(=O)N1CCCC1 62a_100011215473_100011194422 [0,1,0,1,0,0|1,0,0]=3 4265 B18R1.1687 CCCCOC(=O)CNCCN1CCCCC1=O 2230a_100160573077_100000211628 [0,1,0,1,0,0|2,0,0]=4 4266 B18R1.1687 CCCCOC(=O)CNCCN1CCCCC1=O 34a_100160573077_100000211628 [0,1,0,1,0,0|2,0,0]=4 4267 B18R1.1687 CCCCOC(=O)CSCCC1CCCCN1C 62a_100000211628_100000211948 [0,1,0,1,0,0|1,0,1]=4 4268 B18R1.1687 CCCCOC(=O)CSCCC1CCCCN1C 62a_100000211948_100000211628 [0,1,0,1,0,0|1,0,1]=4 4269 B18R1.1731 CCCCOC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000211628 [0,1,0,1,0,0|0,0,2]=4 4270 B18R1.1731 CCCCOC(=O)CNCCCC1CCCCC1 34a_100011211642_100000211628 [0,1,0,1,0,0|0,0,2]=4 4271 B18R1.1731 CCCCOC(=O)COCCCC1CCCCC1 34a_100000198086_100000211628 [0,1,0,1,0,0|0,0,2]=4 4272 B18R1.1731 CCCCOC(=O)COCCCC1CCCCC1 7a_100000198086_100000211628 [0,1,0,1,0,0|0,0,2]=4 4273 B18R1.1731 CCCCOC(=O)COCCCC1CCCCN1 34a_100011934581_100000211628 [0,1,0,1,0,0|1,0,1]=4 4274 B18R1.1731 CCCCOC(=O)COCCCC1CCCNC1 34a_100150707839_100000211628 [0,1,0,1,0,0|1,0,1]=4 4275 B18R1.1731 CCCCOC(=O)CSCCCC1CCCCC1 62a_100000211628_100011713725 [0,1,0,1,0,0|0,0,2]=4 4276 B18R1.1731 CCCCOC(=O)CSCCCC1CCCCC1 62a_100011713725_100000211628 [0,1,0,1,0,0|0,0,2]=4 4277 B18R1.2620 CCCCOC(=O)COC1CCCCC1CCC 34a_100011217265_100000211628 [0,1,0,1,0,0|0,0,2]=4 4278 B18R1.2620 CCCCOC(=O)COC1CCCCC1CCC 7a_100011217265_100000211628 [0,1,0,1,0,0|0,0,2]=4 4279 B18R1.2678 CCCCOC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000211628 [0,1,0,1,0,0|0,0,2]=4 4280 B18R1.2678 CCCCOC(=O)CNCCC1CCCCCC1 34a_100011532351_100000211628 [0,1,0,1,0,0|0,0,2]=4 4281 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000211628 [0,1,0,1,0,0|1,0,1]=4 4282 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000211628 [0,1,0,1,0,0|1,0,1]=4 4283 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCCO 34a_100011934581_100000211628 [0,1,0,1,0,0|1,0,1]=4 4284 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCOC 2230a_100015186528_100000211628 [0,1,0,1,0,0|1,0,1]=4 4285 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCOC 269982a_100015186528_100000211628 [0,1,0,1,0,0|1,0,1]=4 4286 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCOC 34a_100015186528_100000211628 [0,1,0,1,0,0|1,0,1]=4 4287 B18R1.41511 C=CCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100009814027 [0,1,0,1,0,0|1,0,0]=3 4288 B18R1.41513 C=CCCCCCCCCCC(=O)C=C1CCC1 1458a_100000686340_100009814027 [0,1,0,1,0,0|1,0,1]=4 4289 B18R1.41513 C=CCCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100009814027 [0,1,0,1,0,0|1,0,0]=3 4290 B18R1.41513 C=CCCCCCCCCCC(=O)CC1COC1 1458a_100000687760_100009814027 [0,1,0,1,0,0|2,0,0]=4 4291 B18R1.41514 C=CCCCCCCCCCC(=O)C=CC1CC1 1458a_100102529529_100009814027 [0,1,0,1,0,0|1,0,1]=4 4292 B18R1.41514 C=CCCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100009814027 [0,1,0,1,0,0|1,0,0]=3 4293 B18R1.361 C=CCCCCCC(=O)CCC(=O)N1CCCC1 1458a_100011934241_100011194422 [0,1,0,1,0,0|1,0,1]=4 4294 B18R1.361 C=CCCCCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000700193 [0,1,0,1,0,0|1,0,1]=4 4295 B18R1.1146 C=CCCCCCCCCC(=O)C1=CCCCC1 1458a_100000765259_100011933949 [0,1,0,1,0,0|1,0,0]=3 4296 B18R1.1146 C=CCCCCCCCCC(=O)C1=CCCCO1 1458a_100000764163_100011933949 [0,1,0,1,0,0|0,0,1]=3 4297 B18R1.1146 C=CCCCCCCCCC(=O)C1=COCCC1 1458a_100000749935_100011933949 [0,1,0,1,0,0|1,0,1]=4 4298 B18R1.1146 C=CCCCCCCCCC(=O)C1=COCCO1 1458a_100000008702_100011933949 [0,1,0,1,0,0|1,0,1]=4 4299 B18R1.1146 C=CCCCCCCCCC(=O)C1C=CCCC1 1458a_100000211349_100000751183 [0,1,0,1,0,0|1,0,1]=4 4300 B18R1.1146 C=CCCCCCCCCC(=O)C1CCCCC1 1458a_100000210647_100011933949 [0,1,0,1,0,0|1,0,0]=3 4301 B18R1.1146 C=CCCCCCCCCC(=O)C1CCCCC1 1458a_100000211349_100000210327 [0,1,0,1,0,0|1,0,0]=3 4302 B18R1.1146 C=CCCCCCCCCC(=O)C1CCCCO1 1458a_100000748299_100011933949 [0,1,0,1,0,0|0,0,0]=2 4303 B18R1.1146 C=CCCCCCCCCC(=O)C1CCCOC1 1458a_100000211349_100000693364 [0,1,0,1,0,0|1,0,0]=3 4304 B18R1.1146 C=CCCCCCCCCC(=O)C1CCCOC1 1458a_100000741522_100011933949 [0,1,0,1,0,0|1,0,0]=3 4305 B18R1.1146 C=CCCCCCCCCC(=O)C1CCOCC1 1458a_100000195482_100011933949 [0,1,0,1,0,0|1,0,0]=3 4306 B18R1.1146 C=CCCCCCCCCC(=O)C1CCOCC1 1458a_100000211349_100011324220 [0,1,0,1,0,0|1,0,0]=3 4307 B18R1.1146 C=CCCCCCCCCC(=O)C1CCSCC1 1458a_100000755232_100011933949 [0,1,0,1,0,0|1,0,0]=3 4308 B18R1.1146 C=CCCCCCCCCC(=O)C1COCCO1 1458a_100000045528_100011933949 [0,1,0,1,0,0|1,0,0]=3 4309 B18R1.1146 C=CCCCCCCCCC(=O)C1SCCCS1 1458a_100000028545_100011933949 [0,1,0,1,0,0|1,1,0]=4 4310 B18R1.1146 C=CCCCCCCCCC(=O)N1CC=CCC1 11a_100000698166_100000211349 [0,1,0,1,0,0|1,0,1]=4 4311 B18R1.1146 C=CCCCCCCCCC(=O)N1CC=CCC1 1626a_100000698166_100000211349 [0,1,0,1,0,0|1,0,1]=4 4312 B18R1.1146 C=CCCCCCCCCC(=O)N1CC=CCC1 240690a_100000698166_100000211349 [0,1,0,1,0,0|1,0,1]=4 4313 B18R1.1146 C=CCCCCCCCCC(=O)N1CC=CCC1 527a_100000698166_100000211349 [0,1,0,1,0,0|1,0,1]=4 4314 B18R1.1146 C=CCCCCCCCCC(=O)N1CCCOC1 11a_100000131196_100000211349 [0,1,0,1,0,0|1,0,0]=3 4315 B18R1.1146 C=CCCCCCCCCC(=O)N1CCCOC1 240690a_100000131196_100000211349 [0,1,0,1,0,0|1,0,0]=3 4316 B18R1.1146 C=CCCCCCCCCC(=O)N1CCOCC1 11a_100015191051_100000211349 [0,1,0,1,0,0|1,0,0]=3 4317 B18R1.1146 C=CCCCCCCCCC(=O)N1CCOCC1 1626a_100015191051_100000211349 [0,1,0,1,0,0|1,0,0]=3 4318 B18R1.1146 C=CCCCCCCCCC(=O)N1CCOCC1 240690a_100015191051_100000211349 [0,1,0,1,0,0|1,0,0]=3 4319 B18R1.1146 C=CCCCCCCCCC(=O)N1CCOCC1 527a_100015191051_100000211349 [0,1,0,1,0,0|1,0,0]=3 4320 B18R1.1146 C=CCCCCCCCCC(=O)N1CCSCC1 11a_100000737611_100000211349 [0,1,0,1,0,0|1,0,0]=3 4321 B18R1.1146 C=CCCCCCCCCC(=O)N1CCSCC1 240690a_100000737611_100000211349 [0,1,0,1,0,0|1,0,0]=3 4322 B18R1.1146 C=CCCCCCCCCC(=O)N1CCSCC1 527a_100000737611_100000211349 [0,1,0,1,0,0|1,0,0]=3 4323 B18R1.1146 C=CCCCCCCCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100011933949 [0,1,0,1,0,0|1,0,1]=4 4324 B18R1.1146 C=CCCCCCCNCC(=O)N1CCCCC1 2230a_100000751303_100011215473 [0,1,0,1,0,0|2,0,0]=4 4325 B18R1.1146 C=CCCCCCCNCC(=O)N1CCOCC1 2230a_100000697423_100011215473 [0,1,0,1,0,0|2,0,0]=4 4326 B18R1.1146 C=CCCCCCCOCC(=O)C1CCCCC1 34a_200011216477_100000241979 [0,1,0,1,0,0|2,0,0]=4 4327 B18R1.1146 C=CCCCCCCOCC(=O)C1CCCCC1 7a_200011216477_100000241979 [0,1,0,1,0,0|2,0,0]=4 4328 B18R1.1146 C=CCCCCCCOCC(=O)C1CCOCC1 34a_200011216477_100000689883 [0,1,0,1,0,0|2,0,0]=4 4329 B18R1.1146 C=CCCCCCCOCC(=O)C1CCOCC1 7a_200011216477_100000689883 [0,1,0,1,0,0|2,0,0]=4 4330 B18R1.1146 C=CCCCCCCOCC(=O)N1CCCCC1 34a_200011216477_100000183409 [0,1,0,1,0,0|2,0,0]=4 4331 B18R1.1146 C=CCCCCCCOCC(=O)N1CCCCC1 7a_100011315646_100011215473 [0,1,0,1,0,0|2,0,0]=4 4332 B18R1.1146 C=CCCCCCCOCC(=O)N1CCCCC1 7a_200011216477_100000183409 [0,1,0,1,0,0|2,0,0]=4 4333 B18R1.1146 C=CCCCCCCOCC(=O)N1CCOCC1 34a_200011216477_100000183410 [0,1,0,1,0,0|2,0,0]=4 4334 B18R1.1146 C=CCCCCCCOCC(=O)N1CCOCC1 7a_100000752472_100011215473 [0,1,0,1,0,0|2,0,0]=4 4335 B18R1.1146 C=CCCCCCCOCC(=O)N1CCOCC1 7a_200011216477_100000183410 [0,1,0,1,0,0|2,0,0]=4 4336 B18R1.1146 C=CCCCCCCSCC(=O)C1CCCCC1 62a_100000241979_100011215473 [0,1,0,1,0,0|2,0,0]=4 4337 B18R1.1146 C=CCCCCCCSCC(=O)C1CCCCC1 62a_100011215473_100000241979 [0,1,0,1,0,0|2,0,0]=4 4338 B18R1.1146 C=CCCCCCCSCC(=O)C1CCOCC1 62a_100000689883_100011215473 [0,1,0,1,0,0|2,0,0]=4 4339 B18R1.1146 C=CCCCCCCSCC(=O)C1CCOCC1 62a_100011215473_100000689883 [0,1,0,1,0,0|2,0,0]=4 4340 B18R1.1146 C=CCCCCCCSCC(=O)N1CCCCC1 62a_100000183409_100011215473 [0,1,0,1,0,0|2,0,0]=4 4341 B18R1.1146 C=CCCCCCCSCC(=O)N1CCCCC1 62a_100011215473_100000183409 [0,1,0,1,0,0|2,0,0]=4 4342 B18R1.1146 C=CCCCCCCSCC(=O)N1CCOCC1 62a_100000183410_100011215473 [0,1,0,1,0,0|2,0,0]=4 4343 B18R1.1146 C=CCCCCCCSCC(=O)N1CCOCC1 62a_100011215473_100000183410 [0,1,0,1,0,0|2,0,0]=4 4344 B18R1.1146 C=CCCCCCNCCC(=O)N1CCOCC1 2230a_100000735667_100000700193 [0,1,0,1,0,0|2,0,0]=4 4345 B18R1.1146 C=CCCCCCOCCC(=O)N1CCCCC1 34a_100011216702_100102558178 [0,1,0,1,0,0|2,0,0]=4 4346 B18R1.1146 C=CCCCCCOCCC(=O)N1CCCCC1 7a_100011216702_100102558178 [0,1,0,1,0,0|2,0,0]=4 4347 B18R1.1146 C=CCCCCCOCCC(=O)N1CCOCC1 7a_100011216702_100000739706 [0,1,0,1,0,0|2,0,0]=4 4348 B18R1.1146 C=CCCCCCSCCC(=O)N1CCCCC1 62a_100000700193_100102558178 [0,1,0,1,0,0|2,0,0]=4 4349 B18R1.1146 C=CCCCCCSCCC(=O)N1CCCCC1 62a_100102558178_100000700193 [0,1,0,1,0,0|2,0,0]=4 4350 B18R1.1146 C=CCCCCCSCCC(=O)N1CCOCC1 62a_100000700193_100000739706 [0,1,0,1,0,0|2,0,0]=4 4351 B18R1.1146 C=CCCCCCSCCC(=O)N1CCOCC1 62a_100000739706_100000700193 [0,1,0,1,0,0|2,0,0]=4 4352 B18R1.1146 CCCCCCCCCCC(=O)C1CCCCO1 1458a_100000748299_100000210319 [0,1,0,1,0,0|0,0,2]=4 4353 B18R1.1146 O=C(CCCCCCCCCO)C1CCCCO1 1458a_100000748299_100009813782 [0,1,0,1,0,0|1,0,1]=4 4354 B18R1.5198 CCCCOCC(=O)CCCCC1CCCCC1 1458a_200011215547_100011995733 [0,1,0,1,0,0|0,0,2]=4 4355 B18R1.7207 CCCCOCC(=O)CCCN1CCCCC1=O 1458a_100011236284_100011995733 [0,1,0,1,0,0|2,0,0]=4 4356 B18R1.7207 CCOCCOC(=O)COCC1CCCCC1=O 34a_100009861125_200000101388 [0,1,0,1,0,0|2,0,0]=4 4357 B18R1.7207 CCOCCOC(=O)COCC1CCCCC1=O 7a_100009861125_200000101388 [0,1,0,1,0,0|2,0,0]=4 4358 B18R1.13567 C=CCCCCCCCCC(=O)NCC1CCC1 11a_100000738700_100000211349 [0,1,0,1,0,0|1,0,0]=3 4359 B18R1.13567 C=CCCCCCCCCC(=O)NCC1CCC1 1626a_100000738700_100000211349 [0,1,0,1,0,0|1,0,0]=3 4360 B18R1.13567 C=CCCCCCCCCC(=O)NCC1CCC1 240690a_100000738700_100000211349 [0,1,0,1,0,0|1,0,0]=3 4361 B18R1.13567 C=CCCCCCCCCC(=O)NCC1CCC1 527a_100000738700_100000211349 [0,1,0,1,0,0|1,0,0]=3 4362 B18R1.13567 C=CCCCCCCCCC(=O)NCC1COC1 11a_100015281925_100000211349 [0,1,0,1,0,0|1,0,0]=3 4363 B18R1.13567 C=CCCCCCCCCC(=O)NCC1COC1 1626a_100015281925_100000211349 [0,1,0,1,0,0|1,0,0]=3 4364 B18R1.13567 C=CCCCCCCCCC(=O)NCC1COC1 240690a_100015281925_100000211349 [0,1,0,1,0,0|1,0,0]=3 4365 B18R1.13567 C=CCCCCCCCCC(=O)NCC1COC1 527a_100015281925_100000211349 [0,1,0,1,0,0|1,0,0]=3 4366 B18R1.13567 C=CCCCCCCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211349 [0,1,0,1,0,0|1,0,0]=3 4367 B18R1.13567 C=CCCCCCCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211349 [0,1,0,1,0,0|1,0,0]=3 4368 B18R1.13567 C=CCCCCCCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211349 [0,1,0,1,0,0|1,0,0]=3 4369 B18R1.13567 C=CCCCCCCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211349 [0,1,0,1,0,0|1,0,0]=3 4370 B18R1.13567 C=CCCCCCCCCC(=O)NN=C1CCC1 4a_200000015944_100000241760 [0,1,0,1,0,0|1,0,1]=4 4371 B18R1.13567 C=CCCCCCCCCC(=O)NNC1CCC1 22a_100000736358_100000211349 [0,1,0,1,0,0|1,0,0]=3 4372 B18R1.13567 C=CCCCCCCCCC(=O)NNC1COC1 22a_100015188821_100000211349 [0,1,0,1,0,0|2,0,0]=4 4373 B18R1.59470 CCCCCNC(=O)COC1C=CCCCCC1 34a_100000688657_100000230301 [0,1,0,1,0,0|2,0,0]=4 4374 B18R1.59470 CCOCCOC(=O)COC1C=CCCCCC1 34a_100000688657_200000101388 [0,1,0,1,0,0|1,0,0]=3 4375 B18R1.59470 COCCCNC(=O)COC1C=CCCCCC1 34a_100000688657_100000183178 [0,1,0,1,0,0|2,0,0]=4 4376 B18R1.49620 C=CCCCCCCCCC(=O)NCC1(CC1)C 11a_100000766693_100000211349 [0,1,0,1,0,0|1,0,0]=3 4377 B18R1.49620 C=CCCCCCCCCC(=O)NCC1(CC1)C 1626a_100000766693_100000211349 [0,1,0,1,0,0|1,0,0]=3 4378 B18R1.49620 C=CCCCCCCCCC(=O)NCC1(CC1)C 240690a_100000766693_100000211349 [0,1,0,1,0,0|1,0,0]=3 4379 B18R1.49620 C=CCCCCCCCCC(=O)NCC1(CC1)C 527a_100000766693_100000211349 [0,1,0,1,0,0|1,0,0]=3 4380 B18R1.49620 C=CCCCCCCCCC(=O)NCC1(CC1)O 11a_100011936951_100000211349 [0,1,0,1,0,0|1,0,0]=3 4381 B18R1.49620 C=CCCCCCCCCC(=O)NCC1(CC1)O 240690a_100011936951_100000211349 [0,1,0,1,0,0|1,0,0]=3 4382 B18R1.49620 C=CCCCCCCCCC(=O)NCC1(CC1)O 527a_100011936951_100000211349 [0,1,0,1,0,0|1,0,0]=3 4383 B18R1.262381 C=CCCCCCCCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000211349 [0,1,0,1,0,0|1,0,0]=3 4384 B18R1.262381 C=CCCCCCCCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000211349 [0,1,0,1,0,0|1,0,0]=3 4385 B18R1.262381 C=CCCCCCCCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000211349 [0,1,0,1,0,0|1,0,0]=3 4386 B18R1.262383 C=CCCCCCCCCC(=O)C1CC(C1)CO 1458a_206645079618_100011933949 [0,1,0,1,0,0|2,0,0]=4 4387 B18R1.262383 C=CCCCCCCCCC(=O)C1CC(C1)OC 1458a_100011999411_100011933949 [0,1,0,1,0,0|2,0,0]=4 4388 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)CC 11a_100015205115_100000211349 [0,1,0,1,0,0|1,0,0]=3 4389 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)CC 1626a_100015205115_100000211349 [0,1,0,1,0,0|1,0,0]=3 4390 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)CC 240690a_100015205115_100000211349 [0,1,0,1,0,0|1,0,0]=3 4391 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)CC 527a_100015205115_100000211349 [0,1,0,1,0,0|1,0,0]=3 4392 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)CF 11a_100010363649_100000211349 [0,1,0,1,0,0|2,0,0]=4 4393 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)CF 240690a_100010363649_100000211349 [0,1,0,1,0,0|2,0,0]=4 4394 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)CF 527a_100010363649_100000211349 [0,1,0,1,0,0|2,0,0]=4 4395 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)CO 240690a_100016987283_100000211349 [0,1,0,1,0,0|2,0,0]=4 4396 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)CO 527a_100016987283_100000211349 [0,1,0,1,0,0|2,0,0]=4 4397 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)OC 11a_100000755009_100000211349 [0,1,0,1,0,0|2,0,0]=4 4398 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)OC 1626a_100000755009_100000211349 [0,1,0,1,0,0|2,0,0]=4 4399 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)OC 240690a_100000755009_100000211349 [0,1,0,1,0,0|2,0,0]=4 4400 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)OC 527a_100000755009_100000211349 [0,1,0,1,0,0|2,0,0]=4 4401 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)SC 11a_100016990038_100000211349 [0,1,0,1,0,0|2,0,0]=4 4402 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)SC 1626a_100016990038_100000211349 [0,1,0,1,0,0|2,0,0]=4 4403 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)SC 240690a_100016990038_100000211349 [0,1,0,1,0,0|2,0,0]=4 4404 B18R1.262383 C=CCCCCCCCCC(=O)N1CC(C1)SC 527a_100016990038_100000211349 [0,1,0,1,0,0|2,0,0]=4 4405 B18R1.49707 C=CCCCCCCCCC(=O)N(C)C1CCC1 11a_100000758072_100000211349 [0,1,0,1,0,0|1,0,0]=3 4406 B18R1.49707 C=CCCCCCCCCC(=O)N(C)C1CCC1 1626a_100000758072_100000211349 [0,1,0,1,0,0|1,0,0]=3 4407 B18R1.49707 C=CCCCCCCCCC(=O)N(C)C1CCC1 240690a_100000758072_100000211349 [0,1,0,1,0,0|1,0,0]=3 4408 B18R1.49707 C=CCCCCCCCCC(=O)N(C)C1CCC1 527a_100000758072_100000211349 [0,1,0,1,0,0|1,0,0]=3 4409 B18R1.49707 C=CCCCCCCCCC(=O)N(C)C1COC1 11a_100102693430_100000211349 [0,1,0,1,0,0|2,0,0]=4 4410 B18R1.49707 C=CCCCCCCCCC(=O)N(C)C1COC1 1626a_100102693430_100000211349 [0,1,0,1,0,0|2,0,0]=4 4411 B18R1.49707 C=CCCCCCCCCC(=O)N(C)C1COC1 240690a_100102693430_100000211349 [0,1,0,1,0,0|2,0,0]=4 4412 B18R1.49707 C=CCCCCCCCCC(=O)N(C)C1COC1 527a_100102693430_100000211349 [0,1,0,1,0,0|2,0,0]=4 4413 B18R1.49709 C=CCCCCCCCCC(=O)C(=O)NC1CC1 1458a_100000756273_100011933949 [0,1,0,1,0,0|2,0,0]=4 4414 B18R1.49709 C=CCCCCCCCCC(=O)N(C)CC1CC1 11a_100000741881_100000211349 [0,1,0,1,0,0|1,0,0]=3 4415 B18R1.49709 C=CCCCCCCCCC(=O)N(C)CC1CC1 1626a_100000741881_100000211349 [0,1,0,1,0,0|1,0,0]=3 4416 B18R1.49709 C=CCCCCCCCCC(=O)N(C)CC1CC1 240690a_100000741881_100000211349 [0,1,0,1,0,0|1,0,0]=3 4417 B18R1.49709 C=CCCCCCCCCC(=O)N(C)CC1CC1 527a_100000741881_100000211349 [0,1,0,1,0,0|1,0,0]=3 4418 B18R1.61753 C=CCCCCCCNC1CCCCN(C1=O)C 2230a_100159325733_100011215473 [0,1,0,1,0,0|2,0,0]=4 4419 B18R1.61753 C=CCCCCCCNC1CCCCN(C1=O)C 34a_100159325733_100011215473 [0,1,0,1,0,0|2,0,0]=4 4420 B18R1.104481 CCCCN(C)C(=O)COC1C=CCCCCC1 34a_100000688657_100000230175 [0,1,0,1,0,0|2,0,0]=4 4421 B18R1.262380 C=CCCCCCCCCC(=O)C1(CCCC1)C 1458a_100000239728_100011933949 [0,1,0,1,0,0|1,0,0]=3 4422 B18R1.262380 C=CCCCCCCCCC(=O)C1(CCCC1)O 1458a_100000242637_100011933949 [0,1,0,1,0,0|1,0,0]=3 4423 B18R1.262380 C=CCCCCCCCCC(=O)C1(CCCO1)C 1458a_100000684770_100011933949 [0,1,0,1,0,0|2,0,0]=4 4424 B18R1.1279 C=CCCCCCCC(=O)CC(=O)N1CCCC1 1458a_100011809334_100000183516 [0,1,0,1,0,0|1,0,1]=4 4425 B18R1.1279 C=CCCCCCCN(C)CC(=O)N1CCCC1 2230a_100025772637_100011215473 [0,1,0,1,0,0|2,0,0]=4 4426 B18R1.1279 C=CCCCCCCN(C)CC(=O)N1CCCC1 269982a_100025772637_100011215473 [0,1,0,1,0,0|2,0,0]=4 4427 B18R1.7833 C=CCCCCCCC(=O)C1CCCCCC1=O 1458a_100011809334_100000243696 [0,1,0,1,0,0|1,0,1]=4 4428 B18R1.7833 C=CCCCCCCC(=O)C1CCCCNC1=O 1458a_100011809334_100000735217 [0,1,0,1,0,0|1,0,1]=4 4429 B18R2.9747 C=CCCN1CCCCC1C(=O)N2CCCC2 2230a_100000747121_100000754431 [0,0,0,2,0,0|2,0,0]=4 4430 B18R2.9747 C=CCCN1CCCCC1C(=O)N2CCCC2 269982a_100000747121_100000754431 [0,0,0,2,0,0|2,0,0]=4 4431 B18R2.36105 C=CCCCCCCSC1C(=O)[C@H]2CC[C@@H]1C2 62a_100011215473_200015607011 [0,0,0,2,0,0|2,0,0]=4 4432 B18R2.36105 C=CCCCCCCSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_100011215473 [0,0,0,2,0,0|2,0,0]=4 4433 B18R2.72820 O=C(COC1C=CCCCCC1)N2CCCC2 34a_100000688657_100000183516 [0,0,0,2,0,0|2,0,0]=4 4434 B18R2.11356 CCCCCC(=O)CNCC1CC2C=CC1C2 2230a_100000189500_200012276598 [0,0,0,2,0,0|2,0,0]=4 4435 B18R2.11356 CCCCCC(=O)CNCC1CC2C=CC1C2 34a_100000189500_200012276598 [0,0,0,2,0,0|2,0,0]=4 4436 B18R2.11356 CCCCCC(=O)COCC1CC2C=CC1C2 34a_100011215361_200012276598 [0,0,0,2,0,0|2,0,0]=4 4437 B18R2.11356 CCCCCC(=O)CSCC1CC2C=CC1C2 62a_100000139495_200012276598 [0,0,0,2,0,0|2,0,0]=4 4438 B18R2.11356 CCCCCC(=O)CSCC1CC2C=CC1C2 62a_200012276598_100000139495 [0,0,0,2,0,0|2,0,0]=4 4439 B18R2.11356 CCCCNC(=O)CNCC1CC2C=CC1C2 2230a_100000189500_100000182744 [0,0,0,2,0,0|2,0,0]=4 4440 B18R2.11356 CCCCNC(=O)CNCC1CC2C=CC1C2 34a_100000189500_100000182744 [0,0,0,2,0,0|2,0,0]=4 4441 B18R2.11356 CCCCNC(=O)COCC1CC2C=CC1C2 34a_100011215361_100000182744 [0,0,0,2,0,0|2,0,0]=4 4442 B18R2.11356 CCCCNC(=O)CSCC1CC2C=CC1C2 62a_100000139495_100000182744 [0,0,0,2,0,0|2,0,0]=4 4443 B18R2.11356 CCCCNC(=O)CSCC1CC2C=CC1C2 62a_100000182744_100000139495 [0,0,0,2,0,0|2,0,0]=4 4444 B18R2.11356 CCCCOC(=O)CNCC1CC2C=CC1C2 2230a_100000189500_100000211628 [0,0,0,2,0,0|1,0,0]=3 4445 B18R2.11356 CCCCOC(=O)CNCC1CC2C=CC1C2 34a_100000189500_100000211628 [0,0,0,2,0,0|1,0,0]=3 4446 B18R2.11356 CCCCOC(=O)COCC1CC2C=CC1C2 34a_100011215361_100000211628 [0,0,0,2,0,0|1,0,0]=3 4447 B18R2.11356 CCCCOC(=O)CSCC1CC2C=CC1C2 62a_100000139495_100000211628 [0,0,0,2,0,0|1,0,0]=3 4448 B18R2.11356 CCCCOC(=O)CSCC1CC2C=CC1C2 62a_100000211628_100000139495 [0,0,0,2,0,0|1,0,0]=3 4449 B18R2.11356 COCCOC(=O)CNCC1CC2C=CC1C2 2230a_100000189500_200000040189 [0,0,0,2,0,0|2,0,0]=4 4450 B18R2.11356 COCCOC(=O)CNCC1CC2C=CC1C2 34a_100000189500_200000040189 [0,0,0,2,0,0|2,0,0]=4 4451 B18R2.11356 COCCOC(=O)COCC1CC2C=CC1C2 34a_100011215361_200000040189 [0,0,0,2,0,0|2,0,0]=4 4452 B18R2.11356 COCCOC(=O)CSCC1CC2C=CC1C2 62a_100000139495_200000040189 [0,0,0,2,0,0|2,0,0]=4 4453 B18R2.11356 COCCOC(=O)CSCC1CC2C=CC1C2 62a_200000040189_100000139495 [0,0,0,2,0,0|2,0,0]=4