0 B12R0.239 C#CCC(=O)CC(=O)CCCCC 1458a_100011220946_200012276598 [0,0,0,0,0,0|2,0,2]=4 1 B12R0.239 C#CCC(=O)CC(=O)NCCCC 1458a_100011220946_100000182744 [0,0,0,0,0,0|2,0,2]=4 2 B12R0.239 C#CCC(=O)CC(=O)OCCCC 1458a_100011220946_100000211628 [0,0,0,0,0,0|1,0,2]=3 3 B12R0.239 C#CCC(=O)CC(=O)OCCOC 1458a_100011220946_200000040189 [0,0,0,0,0,0|2,0,2]=4 4 B12R0.239 C#CCCCC(=O)CC(=O)CCC 1458a_100000690238_100000747444 [0,0,0,0,0,0|2,0,2]=4 5 B12R0.239 C#CCCCC(=O)CC(=O)NCC 1458a_100000690238_100000183381 [0,0,0,0,0,0|2,0,2]=4 6 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000731252 [0,0,0,0,0,0|1,0,2]=3 7 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000690238_100000188475 [0,0,0,0,0,0|1,0,2]=3 8 B12R0.239 C#CCCNC(=O)CC(=O)OCC 240690a_100000755551_100000243816 [0,0,0,0,0,0|1,0,2]=3 9 B12R0.239 C#CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000688953 [0,0,0,0,0,0|1,0,3]=4 10 B12R0.239 C#CCOCC(=O)CC(=O)OCC 1458a_100011251226_100000188475 [0,0,0,0,0,0|2,0,2]=4 11 B12R0.239 C#CCSCC(=O)CC(=O)OCC 62a_100000038162_100000210311 [0,0,0,0,0,0|2,0,2]=4 12 B12R0.239 C/C=C/C=CC(=O)CC(=O)OCC 1458a_100000185730_100000188475 [0,0,0,0,0,0|1,0,3]=4 13 B12R0.239 C/C=C/CO[C@H](C)CC(=O)OCC 7a_100009816390_100102629194 [0,0,0,0,0,0|1,0,3]=4 14 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [0,0,0,0,0,0|3,0,0]=3 15 B12R0.239 C=C(CCC)CC(=O)CCCCF 1458a_100000138376_100000729493 [0,0,0,0,0,0|4,0,0]=4 16 B12R0.239 C=C(CCC)CC(=O)CCCCO 1458a_100000138376_100000210776 [0,0,0,0,0,0|4,0,0]=4 17 B12R0.239 C=C(CCC)CC(=O)CCCOC 1458a_100000138376_100000740836 [0,0,0,0,0,0|4,0,0]=4 18 B12R0.239 C=C(CCC)CC(=O)CCOCC 1458a_100000138376_100011215890 [0,0,0,0,0,0|4,0,0]=4 19 B12R0.239 C=C(CCC)CC(=O)CCSCC 1458a_100000138376_100000757381 [0,0,0,0,0,0|4,0,0]=4 20 B12R0.239 C=C(CCC)CC(=O)NCCCC 11a_100000102301_100000138376 [0,0,0,0,0,0|3,0,0]=3 21 B12R0.239 C=C(CCC)CC(=O)NCCCC 240690a_100000102301_100000138376 [0,0,0,0,0,0|3,0,0]=3 22 B12R0.239 C=C(CCC)CC(=O)NCCCC 527a_100000102301_100000138376 [0,0,0,0,0,0|3,0,0]=3 23 B12R0.239 C=C(CCC)CC(=O)NCCCF 11a_100015189416_100000138376 [0,0,0,0,0,0|4,0,0]=4 24 B12R0.239 C=C(CCC)CC(=O)NCCCF 240690a_100015189416_100000138376 [0,0,0,0,0,0|4,0,0]=4 25 B12R0.239 C=C(CCC)CC(=O)NCCCF 527a_100015189416_100000138376 [0,0,0,0,0,0|4,0,0]=4 26 B12R0.239 C=C(CCC)CC(=O)NCCCO 240690a_100000182051_100000138376 [0,0,0,0,0,0|4,0,0]=4 27 B12R0.239 C=C(CCC)CC(=O)NCCCO 527a_100000182051_100000138376 [0,0,0,0,0,0|4,0,0]=4 28 B12R0.239 C=C(CCC)CC(=O)NCCOC 240690a_100000209980_100000138376 [0,0,0,0,0,0|4,0,0]=4 29 B12R0.239 C=C(CCC)CC(=O)NCCOC 527a_100000209980_100000138376 [0,0,0,0,0,0|4,0,0]=4 30 B12R0.239 C=C(CCC)CC(=O)NCCSC 11a_100020590264_100000138376 [0,0,0,0,0,0|4,0,0]=4 31 B12R0.239 C=C(CCC)CC(=O)NCCSC 240690a_100020590264_100000138376 [0,0,0,0,0,0|4,0,0]=4 32 B12R0.239 C=C(CCC)CC(=O)NCCSC 527a_100020590264_100000138376 [0,0,0,0,0,0|4,0,0]=4 33 B12R0.239 C=C(CCC)CC(=O)NNCCC 22a_100000740057_100000138376 [0,0,0,0,0,0|4,0,0]=4 34 B12R0.239 C=CCC(=O)CC(=O)CCCCC 1458a_100000210193_200012276598 [0,0,0,0,0,0|2,0,2]=4 35 B12R0.239 C=CCC(=O)CC(=O)NCCCC 1458a_100000210193_100000182744 [0,0,0,0,0,0|2,0,2]=4 36 B12R0.239 C=CCC(=O)CC(=O)OCCCC 1458a_100000210193_100000211628 [0,0,0,0,0,0|1,0,2]=3 37 B12R0.239 C=CCC(=O)CC(=O)OCCOC 1458a_100000210193_200000040189 [0,0,0,0,0,0|2,0,2]=4 38 B12R0.239 C=CCCCC(=O)CC(=O)CCC 1458a_100000766728_100000747444 [0,0,0,0,0,0|2,0,2]=4 39 B12R0.239 C=CCCCC(=O)CC(=O)NCC 1458a_100000766728_100000183381 [0,0,0,0,0,0|2,0,2]=4 40 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000757094 [0,0,0,0,0,0|1,0,2]=3 41 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000766728_100000188475 [0,0,0,0,0,0|1,0,2]=3 42 B12R0.239 C=CCCNC(=O)CC(=O)OCC 240690a_100015191253_100000243816 [0,0,0,0,0,0|1,0,2]=3 43 B12R0.239 C=CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000754431 [0,0,0,0,0,0|1,0,3]=4 44 B12R0.239 C=CCNNC(=O)CC(=O)OCC 22a_100020588587_100000243816 [0,0,0,0,0,0|2,0,2]=4 45 B12R0.239 C=CCSCC(=O)CC(=O)OCC 1458a_100000230395_100000188475 [0,0,0,0,0,0|2,0,2]=4 46 B12R0.239 C=CCSCC(=O)CC(=O)OCC 62a_100000210311_100000210623 [0,0,0,0,0,0|2,0,2]=4 47 B12R0.239 C=CCSCC(=O)CC(=O)OCC 62a_100000210623_100000210311 [0,0,0,0,0,0|2,0,2]=4 48 B12R0.239 C=COC(=O)CC(=O)C#CCCC 1458a_200011218047_100000036128 [0,0,0,0,0,0|1,0,3]=4 49 B12R0.239 C=COC(=O)CC(=O)C=CCCC 1458a_100000212230_100000036128 [0,0,0,0,0,0|1,0,3]=4 50 B12R0.239 C=COC(=O)CC(=O)CCCCC 1458a_100000212188_100000036128 [0,0,0,0,0,0|1,0,2]=3 51 B12R0.239 C=COC(=O)CC(=O)CCCCO 1458a_100000695505_100000036128 [0,0,0,0,0,0|2,0,2]=4 52 B12R0.239 C=COC(=O)CC(=O)CCCOC 1458a_100000741012_100000036128 [0,0,0,0,0,0|2,0,2]=4 53 B12R0.239 C=COC(=O)CC(=O)CCCSC 1458a_100000173376_100000036128 [0,0,0,0,0,0|2,0,2]=4 54 B12R0.239 C=COC(=O)CC(=O)CCOCC 1458a_100000749530_100000036128 [0,0,0,0,0,0|2,0,2]=4 55 B12R0.239 C=COC(=O)CC(=O)CCSCC 1458a_100000230768_100000036128 [0,0,0,0,0,0|2,0,2]=4 56 B12R0.239 C=COC(=O)CC(=O)COCCC 1458a_100000745993_100000036128 [0,0,0,0,0,0|2,0,2]=4 57 B12R0.239 C=COC(=O)CC(=O)CSCCC 1458a_100000217233_100000036128 [0,0,0,0,0,0|2,0,2]=4 58 B12R0.239 C=COCCC(=O)CC(=O)OCC 1458a_100000243816_100000039644 [0,0,0,0,0,0|2,0,2]=4 59 B12R0.239 CC#CC(=O)CC(=O)CCCCC 1458a_100000763181_200012276598 [0,0,0,0,0,0|2,0,1]=3 60 B12R0.239 CC#CC(=O)CC(=O)NCCCC 1458a_100000763181_100000182744 [0,0,0,0,0,0|2,0,1]=3 61 B12R0.239 CC#CC(=O)CC(=O)NCCOC 1458a_100000763181_100000183275 [0,0,0,0,0,0|3,0,1]=4 62 B12R0.239 CC#CC(=O)CC(=O)OCCCC 1458a_100000763181_100000211628 [0,0,0,0,0,0|1,0,1]=2 63 B12R0.239 CC#CC(=O)CC(=O)OCCOC 1458a_100000763181_200000040189 [0,0,0,0,0,0|2,0,1]=3 64 B12R0.239 CC#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000748600 [0,0,0,0,0,0|1,0,3]=4 65 B12R0.239 CC/C=C/CC(=O)CC(=O)CCC 1458a_100016274230_100000747444 [0,0,0,0,0,0|2,0,2]=4 66 B12R0.239 CC/C=C/CC(=O)CC(=O)NCC 1458a_100016274230_100000183381 [0,0,0,0,0,0|2,0,2]=4 67 B12R0.239 CC/C=C/CC(=O)CC(=O)OCC 1458a_100016274230_100000188475 [0,0,0,0,0,0|1,0,2]=3 68 B12R0.239 CC/C=C\CC(=O)CC(=O)OCC 1458a_100000243816_100103147603 [0,0,0,0,0,0|1,0,2]=3 69 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,0,0,0,0,0|2,0,1]=3 70 B12R0.239 CC=CC(=O)CC(=O)NCCCC 1458a_100000210699_100000182744 [0,0,0,0,0,0|2,0,1]=3 71 B12R0.239 CC=CC(=O)CC(=O)NCCOC 1458a_100000210699_100000183275 [0,0,0,0,0,0|3,0,1]=4 72 B12R0.239 CC=CC(=O)CC(=O)OCCCC 1458a_100000210699_100000211628 [0,0,0,0,0,0|1,0,1]=2 73 B12R0.239 CC=CC(=O)CC(=O)OCCOC 1458a_100000210699_200000040189 [0,0,0,0,0,0|2,0,1]=3 74 B12R0.239 CC=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000070051 [0,0,0,0,0,0|1,0,3]=4 75 B12R0.239 CCC#CCC(=O)CC(=O)OCC 1458a_100000243816_100009813939 [0,0,0,0,0,0|1,0,2]=3 76 B12R0.239 CCCC#CC(=O)CC(=O)CCC 1458a_200011218047_100000747444 [0,0,0,0,0,0|2,0,1]=3 77 B12R0.239 CCCC#CC(=O)CC(=O)NCC 1458a_200011218047_100000183381 [0,0,0,0,0,0|2,0,1]=3 78 B12R0.239 CCCC#CC(=O)CC(=O)NCO 1458a_200011218047_100000185155 [0,0,0,0,0,0|3,0,1]=4 79 B12R0.239 CCCC#CC(=O)CC(=O)OCC 1458a_200011218047_100000188475 [0,0,0,0,0,0|1,0,1]=2 80 B12R0.239 CCCC(=O)CC(=O)C=CCOC 1458a_100016285016_100000747444 [0,0,0,0,0,0|3,0,1]=4 81 B12R0.239 CCCC(=O)CC(=O)C=COCC 1458a_100016266692_100000747444 [0,0,0,0,0,0|3,0,1]=4 82 B12R0.239 CCCC(=O)CC(=O)CCCC#N 1458a_100000075515_100000747444 [0,0,0,0,0,0|3,0,1]=4 83 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,0,0,0,0,0|3,0,0]=3 84 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [0,0,0,0,0,0|3,0,0]=3 85 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [0,0,0,0,0,0|3,0,0]=3 86 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,0,0,0,0,0|3,0,0]=3 87 B12R0.239 CCCC(=O)CC(=O)CCSCC 1458a_100000230768_100000747444 [0,0,0,0,0,0|3,0,0]=3 88 B12R0.239 CCCC(=O)CC(=O)COCCO 1458a_100000708028_100000747444 [0,0,0,0,0,0|4,0,0]=4 89 B12R0.239 CCCC(=O)CC(=O)NCCOC 1458a_100000211992_100000183275 [0,0,0,0,0,0|3,0,0]=3 90 B12R0.239 CCCC(=O)CC(=O)OCCOC 1458a_100000211992_200000040189 [0,0,0,0,0,0|2,0,0]=2 91 B12R0.239 CCCC=CC(=O)CC(=O)CCC 1458a_100000212230_100000747444 [0,0,0,0,0,0|2,0,1]=3 92 B12R0.239 CCCC=CC(=O)CC(=O)NCC 1458a_100000212230_100000183381 [0,0,0,0,0,0|2,0,1]=3 93 B12R0.239 CCCC=CC(=O)CC(=O)NCO 1458a_100000212230_100000185155 [0,0,0,0,0,0|3,0,1]=4 94 B12R0.239 CCCC=CC(=O)CC(=O)OCC 1458a_100000212230_100000188475 [0,0,0,0,0,0|1,0,1]=2 95 B12R0.239 CCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210326 [0,0,0,0,0,0|3,0,1]=4 96 B12R0.239 CCCCCC(=O)CC(=O)C=CBr 1458a_100016273825_200012276598 [0,0,0,0,0,0|3,0,1]=4 97 B12R0.239 CCCCCC(=O)CC(=O)C=CCl 1458a_200016279998_200012276598 [0,0,0,0,0,0|3,0,1]=4 98 B12R0.239 CCCCCC(=O)CC(=O)C=CI 1458a_100016256311_200012276598 [0,0,0,0,0,0|3,0,1]=4 99 B12R0.239 CCCCCC(=O)CC(=O)CC#N 1458a_100051588842_200012276598 [0,0,0,0,0,0|3,0,1]=4 100 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,0,0,0,0,0|2,0,0]=2 101 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,0,0,0,0,0|2,0,0]=2 102 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,0,0,0,0,0|3,0,0]=3 103 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,0,0,0,0,0|3,0,0]=3 104 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,0,0,0,0,0|3,0,0]=3 105 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,0,0,0,0,0|2,0,0]=2 106 B12R0.239 CCCCCC(=O)CC(=O)NCO 1458a_100000212188_100000185155 [0,0,0,0,0,0|3,0,0]=3 107 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,0,0,0,0,0|1,0,0]=1 108 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,0,0,0,0,0|1,0,0]=1 109 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000212188_100011216630 [0,0,0,0,0,0|3,0,1]=4 110 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210326 [0,0,0,0,0,0|3,0,1]=4 111 B12R0.239 CCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210326 [0,0,0,0,0,0|2,1,1]=4 112 B12R0.239 CCCCCC(=O)CN(C)CCC 2230a_100000747261_200012276598 [0,0,0,0,0,0|4,0,0]=4 113 B12R0.239 CCCCCC(=O)CN(C)CCC 269982a_100000747261_200012276598 [0,0,0,0,0,0|4,0,0]=4 114 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [0,0,0,0,0,0|3,0,0]=3 115 B12R0.239 CCCCCN(C)CC(=O)CCC 2230a_100000223495_100000747444 [0,0,0,0,0,0|4,0,0]=4 116 B12R0.239 CCCCCN(C)CC(=O)CCC 269982a_100000223495_100000747444 [0,0,0,0,0,0|4,0,0]=4 117 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000223495_100000183381 [0,0,0,0,0,0|4,0,0]=4 118 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210326 [0,0,0,0,0,0|4,0,0]=4 119 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000223495_100000183381 [0,0,0,0,0,0|4,0,0]=4 120 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210215 [0,0,0,0,0,0|4,0,0]=4 121 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [0,0,0,0,0,0|3,0,0]=3 122 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [0,0,0,0,0,0|3,0,0]=3 123 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [0,0,0,0,0,0|3,0,0]=3 124 B12R0.239 CCCCNC(=O)C=C(C)CCC 11a_100000102301_100020676950 [0,0,0,0,0,0|3,0,1]=4 125 B12R0.239 CCCCNC(=O)C=C(C)CCC 1626a_100000102301_100020676950 [0,0,0,0,0,0|3,0,1]=4 126 B12R0.239 CCCCNC(=O)C=C(C)CCC 240690a_100000102301_100020676950 [0,0,0,0,0,0|3,0,1]=4 127 B12R0.239 CCCCNC(=O)CC(=O)C=CBr 1458a_100016273825_100000182744 [0,0,0,0,0,0|3,0,1]=4 128 B12R0.239 CCCCNC(=O)CC(=O)C=CCl 1458a_200016279998_100000182744 [0,0,0,0,0,0|3,0,1]=4 129 B12R0.239 CCCCNC(=O)CC(=O)C=CI 1458a_100016256311_100000182744 [0,0,0,0,0,0|3,0,1]=4 130 B12R0.239 CCCCNC(=O)CC(=O)CC#N 1458a_100051588842_100000182744 [0,0,0,0,0,0|3,0,1]=4 131 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [0,0,0,0,0,0|2,0,0]=2 132 B12R0.239 CCCCNC(=O)CC(=O)CCO 1458a_100011216618_100000182744 [0,0,0,0,0,0|3,0,0]=3 133 B12R0.239 CCCCNC(=O)CC(=O)COC 1458a_100000210968_100000182744 [0,0,0,0,0,0|3,0,0]=3 134 B12R0.239 CCCCNC(=O)CC(=O)CSC 1458a_100000184570_100000182744 [0,0,0,0,0,0|3,0,0]=3 135 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,0,0,0,0,0|1,0,0]=1 136 B12R0.239 CCCCNC(=O)CC(C)CCC 11a_100000102301_100000748435 [0,0,0,0,0,0|3,0,1]=4 137 B12R0.239 CCCCNC(=O)CC(C)CCC 1626a_100000102301_100000748435 [0,0,0,0,0,0|3,0,1]=4 138 B12R0.239 CCCCNC(=O)CC(C)CCC 240690a_100000102301_100000748435 [0,0,0,0,0,0|3,0,1]=4 139 B12R0.239 CCCCNC(=O)CC(C)CCC 527a_100000102301_100000748435 [0,0,0,0,0,0|3,0,1]=4 140 B12R0.239 CCCCNC(=O)CC(C)SCC 11a_100000102301_200011311441 [0,0,0,0,0,0|2,1,1]=4 141 B12R0.239 CCCCNC(=O)CC(C)SCC 1626a_100000102301_200011311441 [0,0,0,0,0,0|2,1,1]=4 142 B12R0.239 CCCCNC(=O)CC(C)SCC 240690a_100000102301_200011311441 [0,0,0,0,0,0|2,1,1]=4 143 B12R0.239 CCCCNC(=O)CC(C)SCC 527a_100000102301_200011311441 [0,0,0,0,0,0|2,1,1]=4 144 B12R0.239 CCCCNC(=O)CN(C)CCC 2230a_100000747261_100000182744 [0,0,0,0,0,0|4,0,0]=4 145 B12R0.239 CCCCNC(=O)CN(C)CCC 2230a_200000213093_100000210303 [0,0,0,0,0,0|4,0,0]=4 146 B12R0.239 CCCCNC(=O)CN(C)CCC 269982a_100000747261_100000182744 [0,0,0,0,0,0|4,0,0]=4 147 B12R0.239 CCCCNC(=O)CN(C)CCC 269982a_200000213093_100000210303 [0,0,0,0,0,0|4,0,0]=4 148 B12R0.239 CCCCNC(=O)CS(=O)CCC 11a_100000102301_100011387404 [0,0,0,0,0,0|3,0,0]=3 149 B12R0.239 CCCCNC(=O)CS(=O)CCC 1626a_100000102301_100011387404 [0,0,0,0,0,0|3,0,0]=3 150 B12R0.239 CCCCNC(=O)CS(=O)CCC 240690a_100000102301_100011387404 [0,0,0,0,0,0|3,0,0]=3 151 B12R0.239 CCCCNC(=O)CS(=O)CCC 527a_100000102301_100011387404 [0,0,0,0,0,0|3,0,0]=3 152 B12R0.239 CCCCNC(=O)NC(=O)CNC 2230a_106832991635_100000209831 [0,0,0,0,0,0|4,0,0]=4 153 B12R0.239 CCCCNC(=O)NC(=O)CNC 7a_106832991635_100000209831 [0,0,0,0,0,0|4,0,0]=4 154 B12R0.239 CCCCNC(=O)NC(=O)CSC 62a_200000210301_100000209831 [0,0,0,0,0,0|4,0,0]=4 155 B12R0.239 CCCCNC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000209831 [0,0,0,0,0,0|4,0,0]=4 156 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [0,0,0,0,0,0|2,0,1]=3 157 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [0,0,0,0,0,0|2,0,1]=3 158 B12R0.239 CCCCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000211628 [0,0,0,0,0,0|2,0,1]=3 159 B12R0.239 CCCCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000211628 [0,0,0,0,0,0|2,0,1]=3 160 B12R0.239 CCCCOC(=O)CC(=O)C=CI 1458a_100016256311_100000211628 [0,0,0,0,0,0|2,0,1]=3 161 B12R0.239 CCCCOC(=O)CC(=O)CC#N 1458a_100051588842_100000211628 [0,0,0,0,0,0|2,0,1]=3 162 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,0,0,0,0,0|1,0,0]=1 163 B12R0.239 CCCCOC(=O)CC(=O)CCO 1458a_100011216618_100000211628 [0,0,0,0,0,0|2,0,0]=2 164 B12R0.239 CCCCOC(=O)CC(=O)COC 1458a_100000210968_100000211628 [0,0,0,0,0,0|2,0,0]=2 165 B12R0.239 CCCCOC(=O)CC(=O)CSC 1458a_100000184570_100000211628 [0,0,0,0,0,0|2,0,0]=2 166 B12R0.239 CCCCOC(=O)CN(C)CCC 2230a_100000747261_100000211628 [0,0,0,0,0,0|3,0,0]=3 167 B12R0.239 CCCCOC(=O)CN(C)CCC 269982a_100000747261_100000211628 [0,0,0,0,0,0|3,0,0]=3 168 B12R0.239 CCCCOC(=O)CN(C)CCO 2230a_100000210263_100000211628 [0,0,0,0,0,0|4,0,0]=4 169 B12R0.239 CCCCOC(=O)CN(C)CCO 269982a_100000210263_100000211628 [0,0,0,0,0,0|4,0,0]=4 170 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,0,0,0,0,0|1,0,1]=2 171 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,0,0,0,0,0|1,0,1]=2 172 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [0,0,0,0,0,0|1,1,1]=3 173 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [0,0,0,0,0,0|1,1,1]=3 174 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [0,0,0,0,0,0|2,1,1]=4 175 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [0,0,0,0,0,0|2,1,1]=4 176 B12R0.239 CCCN(C)CC(=O)OCCOC 2230a_100000747261_200000040189 [0,0,0,0,0,0|4,0,0]=4 177 B12R0.239 CCCN(C)CC(=O)OCCOC 269982a_100000747261_200000040189 [0,0,0,0,0,0|4,0,0]=4 178 B12R0.239 CCCNNC(=O)CC(=O)OCC 22a_100000740057_100000243816 [0,0,0,0,0,0|2,0,0]=2 179 B12R0.239 CCCNNC(=O)CS(=O)CCC 22a_100000740057_100011387404 [0,0,0,0,0,0|4,0,0]=4 180 B12R0.239 CCCOCC(=CC(=O)OCC)C 34a_100000210258_100135422193 [0,0,0,0,0,0|3,0,1]=4 181 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,0,0,0,0,0|3,0,0]=3 182 B12R0.239 CCCOCC(=O)CC(=O)NCC 1458a_100000745993_100000183381 [0,0,0,0,0,0|3,0,0]=3 183 B12R0.239 CCCOCC(=O)CC(=O)NCO 1458a_100000745993_100000185155 [0,0,0,0,0,0|4,0,0]=4 184 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,0,0,0,0,0|2,0,0]=2 185 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,0,0,0,0,0|2,0,2]=4 186 B12R0.239 CCCS(=O)CC(=O)CCCCF 1458a_100011387404_100000729493 [0,0,0,0,0,0|4,0,0]=4 187 B12R0.239 CCCS(=O)CC(=O)CCCCO 1458a_100011387404_100000210776 [0,0,0,0,0,0|4,0,0]=4 188 B12R0.239 CCCS(=O)CC(=O)CCCOC 1458a_100011387404_100000740836 [0,0,0,0,0,0|4,0,0]=4 189 B12R0.239 CCCS(=O)CC(=O)CCOCC 1458a_100011387404_100011215890 [0,0,0,0,0,0|4,0,0]=4 190 B12R0.239 CCCS(=O)CC(=O)CCSCC 1458a_100011387404_100000757381 [0,0,0,0,0,0|4,0,0]=4 191 B12R0.239 CCCS(=O)CC(=O)NCCCF 11a_100015189416_100011387404 [0,0,0,0,0,0|4,0,0]=4 192 B12R0.239 CCCS(=O)CC(=O)NCCCF 1626a_100015189416_100011387404 [0,0,0,0,0,0|4,0,0]=4 193 B12R0.239 CCCS(=O)CC(=O)NCCCF 240690a_100015189416_100011387404 [0,0,0,0,0,0|4,0,0]=4 194 B12R0.239 CCCS(=O)CC(=O)NCCCF 527a_100015189416_100011387404 [0,0,0,0,0,0|4,0,0]=4 195 B12R0.239 CCCS(=O)CC(=O)NCCCO 240690a_100000182051_100011387404 [0,0,0,0,0,0|4,0,0]=4 196 B12R0.239 CCCS(=O)CC(=O)NCCCO 527a_100000182051_100011387404 [0,0,0,0,0,0|4,0,0]=4 197 B12R0.239 CCCS(=O)CC(=O)NCCOC 1626a_100000209980_100011387404 [0,0,0,0,0,0|4,0,0]=4 198 B12R0.239 CCCS(=O)CC(=O)NCCOC 240690a_100000209980_100011387404 [0,0,0,0,0,0|4,0,0]=4 199 B12R0.239 CCCS(=O)CC(=O)NCCOC 527a_100000209980_100011387404 [0,0,0,0,0,0|4,0,0]=4 200 B12R0.239 CCCS(=O)CC(=O)NCCSC 11a_100020590264_100011387404 [0,0,0,0,0,0|4,0,0]=4 201 B12R0.239 CCCS(=O)CC(=O)NCCSC 1626a_100020590264_100011387404 [0,0,0,0,0,0|4,0,0]=4 202 B12R0.239 CCCS(=O)CC(=O)NCCSC 240690a_100020590264_100011387404 [0,0,0,0,0,0|4,0,0]=4 203 B12R0.239 CCCS(=O)CC(=O)NCCSC 527a_100020590264_100011387404 [0,0,0,0,0,0|4,0,0]=4 204 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100000210303_100135422193 [0,0,0,0,0,0|3,0,1]=4 205 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210303 [0,0,0,0,0,0|3,0,1]=4 206 B12R0.239 CCCSCC(=O)CC(=O)CCC 1458a_100000217233_100000747444 [0,0,0,0,0,0|3,0,0]=3 207 B12R0.239 CCCSCC(=O)CC(=O)NCC 1458a_100000217233_100000183381 [0,0,0,0,0,0|3,0,0]=3 208 B12R0.239 CCCSCC(=O)CC(=O)NCO 1458a_100000217233_100000185155 [0,0,0,0,0,0|4,0,0]=4 209 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [0,0,0,0,0,0|2,0,0]=2 210 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [0,0,0,0,0,0|2,0,0]=2 211 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [0,0,0,0,0,0|2,0,0]=2 212 B12R0.239 CCCSCC(=O)NC(=O)NCC 62a_100000210303_100000183762 [0,0,0,0,0,0|4,0,0]=4 213 B12R0.239 CCCSCC(=O)NC(=O)OCC 62a_100000210303_100000010344 [0,0,0,0,0,0|3,0,0]=3 214 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [0,0,0,0,0,0|2,0,2]=4 215 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [0,0,0,0,0,0|2,0,2]=4 216 B12R0.239 CCNC(=O)CC(=O)C=CCOC 1458a_100016285016_100000183381 [0,0,0,0,0,0|3,0,1]=4 217 B12R0.239 CCNC(=O)CC(=O)C=COCC 1458a_100016266692_100000183381 [0,0,0,0,0,0|3,0,1]=4 218 B12R0.239 CCNC(=O)CC(=O)CCCC#N 1458a_100000075515_100000183381 [0,0,0,0,0,0|3,0,1]=4 219 B12R0.239 CCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183381 [0,0,0,0,0,0|3,0,0]=3 220 B12R0.239 CCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183381 [0,0,0,0,0,0|3,0,0]=3 221 B12R0.239 CCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183381 [0,0,0,0,0,0|3,0,0]=3 222 B12R0.239 CCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000183381 [0,0,0,0,0,0|3,0,0]=3 223 B12R0.239 CCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000183381 [0,0,0,0,0,0|3,0,0]=3 224 B12R0.239 CCNC(=O)CC(=O)COCCO 1458a_100000708028_100000183381 [0,0,0,0,0,0|4,0,0]=4 225 B12R0.239 CCOC(=O)CC(=O)C=CCOC 1458a_100016285016_100000188475 [0,0,0,0,0,0|2,0,1]=3 226 B12R0.239 CCOC(=O)CC(=O)CC#CCO 1458a_100000243816_200000047223 [0,0,0,0,0,0|2,0,2]=4 227 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000188475 [0,0,0,0,0,0|2,0,1]=3 228 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000243816_100000211468 [0,0,0,0,0,0|2,0,1]=3 229 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [0,0,0,0,0,0|2,0,0]=2 230 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [0,0,0,0,0,0|2,0,0]=2 231 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [0,0,0,0,0,0|2,0,0]=2 232 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [0,0,0,0,0,0|2,0,0]=2 233 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [0,0,0,0,0,0|2,0,0]=2 234 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [0,0,0,0,0,0|2,0,0]=2 235 B12R0.239 CCOC(=O)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000188475 [0,0,0,0,0,0|4,0,0]=4 236 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [0,0,0,0,0,0|2,0,0]=2 237 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [0,0,0,0,0,0|2,0,0]=2 238 B12R0.239 CCOC(=O)CC(=O)COCCO 1458a_100000708028_100000188475 [0,0,0,0,0,0|3,0,0]=3 239 B12R0.239 CCOC(=O)CC(=O)CSCC#N 1458a_100000150266_100000188475 [0,0,0,0,0,0|3,0,1]=4 240 B12R0.239 CCOC(=O)CC(=O)CSCC#N 62a_100000210311_100011215382 [0,0,0,0,0,0|3,0,1]=4 241 B12R0.239 CCOC(=O)CC(=O)CSCC#N 62a_100011215382_100000210311 [0,0,0,0,0,0|3,0,1]=4 242 B12R0.239 CCOC(=O)CC(=O)CSCC=O 62a_100000210311_200015260668 [0,0,0,0,0,0|3,0,1]=4 243 B12R0.239 CCOC(=O)CC(=O)CSCC=O 62a_200015260668_100000210311 [0,0,0,0,0,0|3,0,1]=4 244 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100000210311_100011217306 [0,0,0,0,0,0|3,0,0]=3 245 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100011217306_100000210311 [0,0,0,0,0,0|3,0,0]=3 246 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000210311_100000211926 [0,0,0,0,0,0|3,0,0]=3 247 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000211926_100000210311 [0,0,0,0,0,0|3,0,0]=3 248 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000210311_100000766300 [0,0,0,0,0,0|3,0,0]=3 249 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000766300_100000210311 [0,0,0,0,0,0|3,0,0]=3 250 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100000210311_100011218213 [0,0,0,0,0,0|3,0,0]=3 251 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100011218213_100000210311 [0,0,0,0,0,0|3,0,0]=3 252 B12R0.239 CCOC(=O)CC(=O)NCCC#N 240690a_100000720768_100000243816 [0,0,0,0,0,0|2,0,1]=3 253 B12R0.239 CCOC(=O)CC(=O)NCCCF 240690a_100015189416_100000243816 [0,0,0,0,0,0|2,0,0]=2 254 B12R0.239 CCOC(=O)CC(=O)NCCCO 240690a_100000182051_100000243816 [0,0,0,0,0,0|2,0,0]=2 255 B12R0.239 CCOC(=O)CC(=O)NCCOC 240690a_100000209980_100000243816 [0,0,0,0,0,0|2,0,0]=2 256 B12R0.239 CCOC(=O)CC(=O)NCCSC 240690a_100020590264_100000243816 [0,0,0,0,0,0|2,0,0]=2 257 B12R0.239 CCOC(=O)CC(=O)NNCCO 22a_100000210001_100000243816 [0,0,0,0,0,0|3,0,0]=3 258 B12R0.239 CCOC(=O)CC(C)NCCCF 2230a_100015189416_100009817359 [0,0,0,0,0,0|3,0,1]=4 259 B12R0.239 CCOC(=O)CC(C)NCCOC 2230a_100000209980_100009817359 [0,0,0,0,0,0|3,0,1]=4 260 B12R0.239 CCOC(=O)CC(C)NCCSC 2230a_100020590264_100009817359 [0,0,0,0,0,0|3,0,1]=4 261 B12R0.239 CCOC(=O)CC(C)OCCSC 7a_100000230434_100009817359 [0,0,0,0,0,0|2,0,1]=3 262 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100009817359_100011934791 [0,0,0,0,0,0|2,1,1]=4 263 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100011934791_100009817359 [0,0,0,0,0,0|2,1,1]=4 264 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100009817359_100011215043 [0,0,0,0,0,0|2,1,1]=4 265 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100011215043_100009817359 [0,0,0,0,0,0|2,1,1]=4 266 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100000233755_100009817359 [0,0,0,0,0,0|2,1,1]=4 267 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100009817359_100000233755 [0,0,0,0,0,0|2,1,1]=4 268 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100000212216_100009817359 [0,0,0,0,0,0|2,1,1]=4 269 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100009817359_100000751147 [0,0,0,0,0,0|2,1,1]=4 270 B12R0.239 CCOC(=O)CN(C)CCCCF 2230a_100000220588_100000729493 [0,0,0,0,0,0|4,0,0]=4 271 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000220588_100000210776 [0,0,0,0,0,0|4,0,0]=4 272 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000188475 [0,0,0,0,0,0|4,0,0]=4 273 B12R0.239 CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000188475 [0,0,0,0,0,0|4,0,0]=4 274 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000220588_100000740836 [0,0,0,0,0,0|4,0,0]=4 275 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000188475 [0,0,0,0,0,0|4,0,0]=4 276 B12R0.239 CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000188475 [0,0,0,0,0,0|4,0,0]=4 277 B12R0.239 CCOC(=O)CN(C)CCSCC 2230a_100000220588_100000757381 [0,0,0,0,0,0|4,0,0]=4 278 B12R0.239 CCOC(=O)C[C@@H](C)OCCC#N 7a_100009816390_100000184422 [0,0,0,0,0,0|2,0,2]=4 279 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 7a_100009816390_100011934791 [0,0,0,0,0,0|2,0,1]=3 280 B12R0.239 CCOC(=O)C[C@@H](C)OCCCO 7a_100009816390_100011215043 [0,0,0,0,0,0|2,0,1]=3 281 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 7a_100009816390_100000233755 [0,0,0,0,0,0|2,0,1]=3 282 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC 7a_100009816390_100000212216 [0,0,0,0,0,0|2,0,1]=3 283 B12R0.239 CCOC(=O)NC(=O)CSCCF 62a_100011217306_100000010344 [0,0,0,0,0,0|4,0,0]=4 284 B12R0.239 CCOC(=O)NC(=O)CSCCO 62a_100000211926_100000010344 [0,0,0,0,0,0|4,0,0]=4 285 B12R0.239 CCOC(=O)NC(=O)CSCOC 62a_100000766300_100000010344 [0,0,0,0,0,0|4,0,0]=4 286 B12R0.239 CCOC(=O)NC(=O)CSCSC 62a_100011218213_100000010344 [0,0,0,0,0,0|4,0,0]=4 287 B12R0.239 CCOC=CC(=O)CC(=O)OCC 1458a_100016266692_100000188475 [0,0,0,0,0,0|2,0,1]=3 288 B12R0.239 CCOCCC(=O)CC(=O)NCO 1458a_100000749530_100000185155 [0,0,0,0,0,0|4,0,0]=4 289 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [0,0,0,0,0,0|2,0,0]=2 290 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [0,0,0,0,0,0|2,0,0]=2 291 B12R0.239 CCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215890 [0,0,0,0,0,0|4,0,0]=4 292 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [0,0,0,0,0,0|2,1,1]=4 293 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [0,0,0,0,0,0|2,1,1]=4 294 B12R0.239 CCSCCC(=O)CC(=O)NCO 1458a_100000230768_100000185155 [0,0,0,0,0,0|4,0,0]=4 295 B12R0.239 COCCCC(=O)CC(=O)NCO 1458a_100000741012_100000185155 [0,0,0,0,0,0|4,0,0]=4 296 B12R0.239 COCCNC(=O)CC(=O)CCO 1458a_100011216618_100000183275 [0,0,0,0,0,0|4,0,0]=4 297 B12R0.239 COCCNC(=O)CC(=O)COC 1458a_100000210968_100000183275 [0,0,0,0,0,0|4,0,0]=4 298 B12R0.239 COCCNC(=O)CC(=O)CSC 1458a_100000184570_100000183275 [0,0,0,0,0,0|4,0,0]=4 299 B12R0.239 COCCOC(=O)CC(=O)C=CBr 1458a_100016273825_200000040189 [0,0,0,0,0,0|3,0,1]=4 300 B12R0.239 COCCOC(=O)CC(=O)C=CCl 1458a_200016279998_200000040189 [0,0,0,0,0,0|3,0,1]=4 301 B12R0.239 COCCOC(=O)CC(=O)C=CI 1458a_100016256311_200000040189 [0,0,0,0,0,0|3,0,1]=4 302 B12R0.239 COCCOC(=O)CC(=O)CC#N 1458a_100051588842_200000040189 [0,0,0,0,0,0|3,0,1]=4 303 B12R0.239 COCCOC(=O)CC(=O)CCO 1458a_100011216618_200000040189 [0,0,0,0,0,0|3,0,0]=3 304 B12R0.239 COCCOC(=O)CC(=O)COC 1458a_100000210968_200000040189 [0,0,0,0,0,0|3,0,0]=3 305 B12R0.239 COCCOC(=O)CC(=O)CSC 1458a_100000184570_200000040189 [0,0,0,0,0,0|3,0,0]=3 306 B12R0.239 CSCCCC(=O)CC(=O)NCO 1458a_100000173376_100000185155 [0,0,0,0,0,0|4,0,0]=4 307 B12R0.239 O=C(CCCCO)CC(=O)NCO 1458a_100000695505_100000185155 [0,0,0,0,0,0|4,0,0]=4 308 B11R0.4 C#CCCOCCC(=O)OCC 34a_100011215631_100000765890 [1,0,0,0,0,0|0,0,3]=4 309 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [1,0,0,0,0,0|0,0,3]=4 310 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [1,0,0,0,0,0|0,0,3]=4 311 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [1,0,0,0,0,0|1,0,2]=4 312 B11R0.4 CC#CCOCCC(=O)OCC 34a_100000761923_100000765890 [1,0,0,0,0,0|0,0,3]=4 313 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [1,0,0,0,0,0|1,0,2]=4 314 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [1,0,0,0,0,0|2,0,1]=4 315 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [1,0,0,0,0,0|2,0,1]=4 316 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [1,0,0,0,0,0|2,0,0]=3 317 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [1,0,0,0,0,0|3,0,0]=4 318 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [1,0,0,0,0,0|3,0,0]=4 319 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [1,0,0,0,0,0|2,0,0]=3 320 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [1,0,0,0,0,0|2,0,0]=3 321 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [1,0,0,0,0,0|2,0,0]=3 322 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [1,0,0,0,0,0|3,0,0]=4 323 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [1,0,0,0,0,0|2,0,1]=4 324 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [1,0,0,0,0,0|2,0,1]=4 325 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [1,0,0,0,0,0|2,0,1]=4 326 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [1,0,0,0,0,0|2,0,1]=4 327 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [1,0,0,0,0,0|2,0,1]=4 328 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [1,0,0,0,0,0|2,0,1]=4 329 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [1,0,0,0,0,0|2,0,1]=4 330 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [1,0,0,0,0,0|2,0,1]=4 331 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [1,0,0,0,0,0|3,0,0]=4 332 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [1,0,0,0,0,0|3,0,0]=4 333 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [1,0,0,0,0,0|3,0,0]=4 334 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [1,0,0,0,0,0|2,0,0]=3 335 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [1,0,0,0,0,0|3,0,0]=4 336 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [1,0,0,0,0,0|3,0,0]=4 337 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [1,0,0,0,0,0|3,0,0]=4 338 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [1,0,0,0,0,0|2,0,0]=3 339 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [1,0,0,0,0,0|2,0,0]=3 340 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [1,0,0,0,0,0|3,0,0]=4 341 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [1,0,0,0,0,0|3,0,0]=4 342 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [1,0,0,0,0,0|3,0,0]=4 343 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [1,0,0,0,0,0|3,0,0]=4 344 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [1,0,0,0,0,0|2,0,0]=3 345 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [1,0,0,0,0,0|2,0,0]=3 346 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [1,0,0,0,0,0|2,0,1]=4 347 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [1,0,0,0,0,0|2,0,1]=4 348 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [1,0,0,0,0,0|2,0,1]=4 349 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [1,0,0,0,0,0|1,0,1]=3 350 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [1,0,0,0,0,0|1,0,1]=3 351 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [1,0,0,0,0,0|2,0,1]=4 352 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [1,0,0,0,0,0|1,0,1]=3 353 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [1,0,0,0,0,0|2,0,1]=4 354 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [1,0,0,0,0,0|2,0,1]=4 355 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [1,0,0,0,0,0|2,0,1]=4 356 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [1,0,0,0,0,0|1,0,1]=3 357 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [1,0,0,0,0,0|0,0,1]=2 358 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [1,0,0,0,0,0|0,0,1]=2 359 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [1,0,0,0,0,0|2,0,1]=4 360 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [1,0,0,0,0,0|1,1,1]=4 361 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [1,0,0,0,0,0|1,1,1]=4 362 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [1,0,0,0,0,0|0,1,1]=3 363 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [1,0,0,0,0,0|0,1,1]=3 364 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [1,0,0,0,0,0|1,1,1]=4 365 B11R0.4 CCCNN=C[CH-]C(=O)OCC 4a_100000740057_100010622808 [1,0,0,0,0,0|2,0,1]=4 366 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [1,0,0,0,0,0|2,0,1]=4 367 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [1,0,0,0,0,0|2,0,1]=4 368 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [1,0,0,0,0,0|2,0,1]=4 369 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [1,0,0,0,0,0|2,0,1]=4 370 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [1,0,0,0,0,0|2,0,1]=4 371 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [1,0,0,0,0,0|2,0,1]=4 372 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [1,0,0,0,0,0|2,0,1]=4 373 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [1,0,0,0,0,0|2,0,1]=4 374 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [1,0,0,0,0,0|2,0,1]=4 375 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [1,0,0,0,0,0|2,0,1]=4 376 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [1,0,0,0,0,0|2,0,1]=4 377 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [1,0,0,0,0,0|2,0,1]=4 378 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [1,0,0,0,0,0|3,0,0]=4 379 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [1,0,0,0,0,0|2,0,1]=4 380 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [1,0,0,0,0,0|2,0,1]=4 381 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [1,0,0,0,0,0|2,0,1]=4 382 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [1,0,0,0,0,0|2,0,1]=4 383 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [1,0,0,0,0,0|2,0,1]=4 384 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [1,0,0,0,0,0|2,0,1]=4 385 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [1,0,0,0,0,0|2,0,1]=4 386 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [1,0,0,0,0,0|2,0,1]=4 387 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [1,0,0,0,0,0|2,0,1]=4 388 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [1,0,0,0,0,0|2,0,1]=4 389 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [1,0,0,0,0,0|2,0,1]=4 390 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [1,0,0,0,0,0|2,0,1]=4 391 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [1,0,0,0,0,0|2,0,1]=4 392 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [1,0,0,0,0,0|2,0,1]=4 393 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [1,0,0,0,0,0|2,0,1]=4 394 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [1,0,0,0,0,0|2,0,1]=4 395 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [1,0,0,0,0,0|1,0,1]=3 396 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [1,0,0,0,0,0|1,0,1]=3 397 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [1,0,0,0,0,0|1,0,1]=3 398 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [1,0,0,0,0,0|1,0,1]=3 399 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [1,0,0,0,0,0|1,0,1]=3 400 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [1,0,0,0,0,0|2,0,1]=4 401 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [1,0,0,0,0,0|1,0,1]=3 402 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [1,0,0,0,0,0|1,0,1]=3 403 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [1,0,0,0,0,0|1,1,1]=4 404 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [1,0,0,0,0,0|1,1,1]=4 405 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [1,0,0,0,0,0|1,1,1]=4 406 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [1,0,0,0,0,0|1,1,1]=4 407 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [1,0,0,0,0,0|1,1,1]=4 408 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [1,0,0,0,0,0|1,1,1]=4 409 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [1,0,0,0,0,0|1,1,1]=4 410 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [1,0,0,0,0,0|1,1,1]=4 411 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [1,0,0,0,0,0|3,0,0]=4 412 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [1,0,0,0,0,0|3,0,0]=4 413 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [1,0,0,0,0,0|3,0,0]=4 414 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [1,0,0,0,0,0|3,0,0]=4 415 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [1,0,0,0,0,0|3,0,0]=4 416 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [1,0,0,0,0,0|3,0,0]=4 417 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [1,0,0,0,0,0|3,0,0]=4 418 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [1,0,0,0,0,0|3,0,0]=4 419 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [1,0,0,0,0,0|3,0,0]=4 420 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [1,0,0,0,0,0|3,0,0]=4 421 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [1,0,0,0,0,0|3,0,0]=4 422 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [1,0,0,0,0,0|3,0,0]=4 423 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [1,0,0,0,0,0|3,0,0]=4 424 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [1,0,0,0,0,0|3,0,0]=4 425 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [1,0,0,0,0,0|3,0,0]=4 426 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [1,0,0,0,0,0|3,0,0]=4 427 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [1,0,0,0,0,0|3,0,0]=4 428 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [1,0,0,0,0,0|3,0,0]=4 429 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [1,0,0,0,0,0|3,0,0]=4 430 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [1,0,0,0,0,0|3,0,0]=4 431 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [1,0,0,0,0,0|3,0,0]=4 432 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [1,0,0,0,0,0|3,0,0]=4 433 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [1,0,0,0,0,0|3,0,0]=4 434 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [1,0,0,0,0,0|3,0,0]=4 435 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [1,0,0,0,0,0|3,0,0]=4 436 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [1,0,0,0,0,0|3,0,0]=4 437 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [1,0,0,0,0,0|3,0,0]=4 438 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [1,0,0,0,0,0|3,0,0]=4 439 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [1,0,0,0,0,0|3,0,0]=4 440 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [1,0,0,0,0,0|3,0,0]=4 441 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [1,0,0,0,0,0|3,0,0]=4 442 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [1,0,0,0,0,0|3,0,0]=4 443 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [1,0,0,0,0,0|3,0,0]=4 444 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [1,0,0,0,0,0|3,0,0]=4 445 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [1,0,0,0,0,0|3,0,0]=4 446 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [1,0,0,0,0,0|3,0,0]=4 447 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [1,0,0,0,0,0|2,0,1]=4 448 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [1,0,0,0,0,0|3,0,0]=4 449 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [1,0,0,0,0,0|3,0,0]=4 450 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [1,0,0,0,0,0|3,0,0]=4 451 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [1,0,0,0,0,0|3,0,0]=4 452 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [1,0,0,0,0,0|3,0,0]=4 453 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [1,0,0,0,0,0|3,0,0]=4 454 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [1,0,0,0,0,0|3,0,0]=4 455 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [1,0,0,0,0,0|3,0,0]=4 456 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [1,0,0,0,0,0|1,1,1]=4 457 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [1,0,0,0,0,0|1,1,1]=4 458 B11R0.5 C#CCC(=O)CC(=O)OCCC 1458a_100011220946_200011215008 [1,0,0,0,0,0|1,0,2]=4 459 B11R0.5 C#CCCC(=O)CC(=O)CCC 1458a_100000692101_100000747444 [1,0,0,0,0,0|1,0,2]=4 460 B11R0.5 C#CCCC(=O)CC(=O)NCC 1458a_100000692101_100000183381 [1,0,0,0,0,0|1,0,2]=4 461 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000243816_100000753159 [1,0,0,0,0,0|0,0,2]=3 462 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000692101_100000188475 [1,0,0,0,0,0|0,0,2]=3 463 B11R0.5 C#CCNC(=O)CC(=O)OCC 240690a_100000212058_100000243816 [1,0,0,0,0,0|1,0,2]=4 464 B11R0.5 C/C=C/CC(=O)CC(=O)OCC 1458a_100000243816_100102629194 [1,0,0,0,0,0|0,0,2]=3 465 B11R0.5 C=C(CC(=O)CCC)OCOC 1458a_100000211992_100000042856 [1,0,0,0,0,0|3,0,0]=4 466 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [1,0,0,0,0,0|2,0,0]=3 467 B11R0.5 C=C(CCC)CC(=O)CCCF 1458a_100000138376_100011934791 [1,0,0,0,0,0|3,0,0]=4 468 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [1,0,0,0,0,0|3,0,0]=4 469 B11R0.5 C=C(CCC)CC(=O)CCOC 1458a_100000138376_100000233755 [1,0,0,0,0,0|3,0,0]=4 470 B11R0.5 C=C(CCC)CC(=O)CCSC 1458a_100000138376_100000751147 [1,0,0,0,0,0|3,0,0]=4 471 B11R0.5 C=C(CCC)CC(=O)NCCC 11a_100020643023_100000138376 [1,0,0,0,0,0|3,0,0]=4 472 B11R0.5 C=C(CCC)CC(=O)NCCC 240690a_100020643023_100000138376 [1,0,0,0,0,0|3,0,0]=4 473 B11R0.5 C=C(CCC)CC(=O)NCCC 527a_100020643023_100000138376 [1,0,0,0,0,0|3,0,0]=4 474 B11R0.5 C=CCC(=O)CC(=O)OCCC 1458a_100000210193_200011215008 [1,0,0,0,0,0|1,0,2]=4 475 B11R0.5 C=CCCC(=O)CC(=O)CCC 1458a_100000749702_100000747444 [1,0,0,0,0,0|1,0,2]=4 476 B11R0.5 C=CCCC(=O)CC(=O)NCC 1458a_100000749702_100000183381 [1,0,0,0,0,0|1,0,2]=4 477 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000243816_100000754431 [1,0,0,0,0,0|0,0,2]=3 478 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000749702_100000188475 [1,0,0,0,0,0|0,0,2]=3 479 B11R0.5 C=CCNC(=O)CC(=O)OCC 240690a_100020586998_100000243816 [1,0,0,0,0,0|1,0,2]=4 480 B11R0.5 C=CCOC(=O)CC(=O)CCC 1458a_100000211992_100000033060 [1,0,0,0,0,0|1,0,2]=4 481 B11R0.5 C=COC(=O)CC(=O)CCCC 1458a_100000210183_100000036128 [1,0,0,0,0,0|0,0,2]=3 482 B11R0.5 C=COC(=O)CC(=O)CCOC 1458a_100000749529_100000036128 [1,0,0,0,0,0|1,0,2]=4 483 B11R0.5 C=COC(=O)CC(=O)CCSC 1458a_100000174002_100000036128 [1,0,0,0,0,0|1,0,2]=4 484 B11R0.5 C=COC(=O)CC(=O)COCC 1458a_100000211967_100000036128 [1,0,0,0,0,0|1,0,2]=4 485 B11R0.5 C=COC(=O)CC(=O)CSCC 1458a_100000230394_100000036128 [1,0,0,0,0,0|1,0,2]=4 486 B11R0.5 CC#CC(=O)CC(=O)NCCC 1458a_100000763181_100000183358 [1,0,0,0,0,0|2,0,1]=4 487 B11R0.5 CC#CC(=O)CC(=O)OCCC 1458a_100000763181_200011215008 [1,0,0,0,0,0|1,0,1]=3 488 B11R0.5 CC#CCC(=O)CC(=O)OCC 1458a_100000243816_100000748600 [1,0,0,0,0,0|0,0,2]=3 489 B11R0.5 CC=CC(=O)CC(=O)NCCC 1458a_100000210699_100000183358 [1,0,0,0,0,0|2,0,1]=4 490 B11R0.5 CC=CC(=O)CC(=O)OCCC 1458a_100000210699_200011215008 [1,0,0,0,0,0|1,0,1]=3 491 B11R0.5 CC=CCC(=O)CC(=O)CCC 1458a_100121576822_100000747444 [1,0,0,0,0,0|1,0,2]=4 492 B11R0.5 CC=CCC(=O)CC(=O)NCC 1458a_100121576822_100000183381 [1,0,0,0,0,0|1,0,2]=4 493 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100000243816_100000070051 [1,0,0,0,0,0|0,0,2]=3 494 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100121576822_100000188475 [1,0,0,0,0,0|0,0,2]=3 495 B11R0.5 CCC#CC(=O)CC(=O)CCC 1458a_100011827653_100000747444 [1,0,0,0,0,0|1,0,2]=4 496 B11R0.5 CCC#CC(=O)CC(=O)NCC 1458a_100011827653_100000183381 [1,0,0,0,0,0|1,0,2]=4 497 B11R0.5 CCC#CC(=O)CC(=O)OCC 1458a_100011827653_100000188475 [1,0,0,0,0,0|0,0,2]=3 498 B11R0.5 CCC=CC(=O)CC(=O)CCC 1458a_100000212282_100000747444 [1,0,0,0,0,0|1,0,2]=4 499 B11R0.5 CCC=CC(=O)CC(=O)NCC 1458a_100000212282_100000183381 [1,0,0,0,0,0|1,0,2]=4 500 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [1,0,0,0,0,0|0,0,2]=3 501 B11R0.5 CCCC(=O)CC(=O)CCC#N 1458a_100011934036_100000747444 [1,0,0,0,0,0|2,0,1]=4 502 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [1,0,0,0,0,0|2,0,0]=3 503 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [1,0,0,0,0,0|2,0,0]=3 504 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [1,0,0,0,0,0|2,0,0]=3 505 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [1,0,0,0,0,0|2,0,0]=3 506 B11R0.5 CCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210211 [1,0,0,0,0,0|2,0,1]=4 507 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [1,0,0,0,0,0|1,0,0]=2 508 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [1,0,0,0,0,0|1,0,0]=2 509 B11R0.5 CCCCC(=O)CC(=O)NCO 1458a_100000210183_100000185155 [1,0,0,0,0,0|2,0,0]=3 510 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [1,0,0,0,0,0|0,0,0]=1 511 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [1,0,0,0,0,0|0,0,0]=1 512 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [1,0,0,0,0,0|2,0,1]=4 513 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [1,0,0,0,0,0|2,0,1]=4 514 B11R0.5 CCCCC(=O)CC(C)SCC 1458a_200011311441_100000210211 [1,0,0,0,0,0|1,1,1]=4 515 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [1,0,0,0,0,0|2,0,0]=3 516 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [1,0,0,0,0,0|3,0,0]=4 517 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [1,0,0,0,0,0|3,0,0]=4 518 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000207549_100000183381 [1,0,0,0,0,0|3,0,0]=4 519 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000741943_100000210211 [1,0,0,0,0,0|3,0,0]=4 520 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000207549_100000183381 [1,0,0,0,0,0|3,0,0]=4 521 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000741943_100000210211 [1,0,0,0,0,0|3,0,0]=4 522 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [1,0,0,0,0,0|2,0,0]=3 523 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [1,0,0,0,0,0|2,0,0]=3 524 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [1,0,0,0,0,0|2,0,0]=3 525 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [1,0,0,0,0,0|2,0,0]=3 526 B11R0.5 CCCNC(=O)CC(=O)CCO 1458a_100011216618_100000183358 [1,0,0,0,0,0|3,0,0]=4 527 B11R0.5 CCCNC(=O)CC(=O)COC 1458a_100000210968_100000183358 [1,0,0,0,0,0|3,0,0]=4 528 B11R0.5 CCCNC(=O)CC(=O)CSC 1458a_100000184570_100000183358 [1,0,0,0,0,0|3,0,0]=4 529 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [1,0,0,0,0,0|1,0,0]=2 530 B11R0.5 CCCNC(=O)CS(=O)CCC 11a_100020643023_100011387404 [1,0,0,0,0,0|3,0,0]=4 531 B11R0.5 CCCNC(=O)CS(=O)CCC 1626a_100020643023_100011387404 [1,0,0,0,0,0|3,0,0]=4 532 B11R0.5 CCCNC(=O)CS(=O)CCC 240690a_100020643023_100011387404 [1,0,0,0,0,0|3,0,0]=4 533 B11R0.5 CCCNC(=O)CS(=O)CCC 527a_100020643023_100011387404 [1,0,0,0,0,0|3,0,0]=4 534 B11R0.5 CCCOC(=O)CC(=O)C=CBr 1458a_100016273825_200011215008 [1,0,0,0,0,0|2,0,1]=4 535 B11R0.5 CCCOC(=O)CC(=O)C=CCl 1458a_200016279998_200011215008 [1,0,0,0,0,0|2,0,1]=4 536 B11R0.5 CCCOC(=O)CC(=O)C=CI 1458a_100016256311_200011215008 [1,0,0,0,0,0|2,0,1]=4 537 B11R0.5 CCCOC(=O)CC(=O)CC#N 1458a_100051588842_200011215008 [1,0,0,0,0,0|2,0,1]=4 538 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [1,0,0,0,0,0|1,0,0]=2 539 B11R0.5 CCCOC(=O)CC(=O)CCO 1458a_100011216618_200011215008 [1,0,0,0,0,0|2,0,0]=3 540 B11R0.5 CCCOC(=O)CC(=O)COC 1458a_100000210968_200011215008 [1,0,0,0,0,0|2,0,0]=3 541 B11R0.5 CCCOC(=O)CC(=O)CSC 1458a_100000184570_200011215008 [1,0,0,0,0,0|2,0,0]=3 542 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [1,0,0,0,0,0|3,0,0]=4 543 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [1,0,0,0,0,0|3,0,0]=4 544 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [1,0,0,0,0,0|1,0,1]=3 545 B11R0.5 CCCS(=O)CC(=O)CCCF 1458a_100011387404_100011934791 [1,0,0,0,0,0|3,0,0]=4 546 B11R0.5 CCCS(=O)CC(=O)CCCO 1458a_100011387404_100011215043 [1,0,0,0,0,0|3,0,0]=4 547 B11R0.5 CCCS(=O)CC(=O)CCOC 1458a_100011387404_100000233755 [1,0,0,0,0,0|3,0,0]=4 548 B11R0.5 CCCS(=O)CC(=O)CCSC 1458a_100011387404_100000751147 [1,0,0,0,0,0|3,0,0]=4 549 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [1,0,0,0,0,0|1,1,1]=4 550 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [1,0,0,0,0,0|1,1,1]=4 551 B11R0.5 CCNC(=O)CC(=O)CCC#N 1458a_100011934036_100000183381 [1,0,0,0,0,0|2,0,1]=4 552 B11R0.5 CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183381 [1,0,0,0,0,0|2,0,0]=3 553 B11R0.5 CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183381 [1,0,0,0,0,0|2,0,0]=3 554 B11R0.5 CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183381 [1,0,0,0,0,0|2,0,0]=3 555 B11R0.5 CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183381 [1,0,0,0,0,0|2,0,0]=3 556 B11R0.5 CCNC(=O)NC(=O)CSCC 62a_100000210202_100000183762 [1,0,0,0,0,0|3,0,0]=4 557 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [1,0,0,0,0,0|2,0,1]=4 558 B11R0.5 CCNCC(=O)NC(=O)NCC 2230a_100015525214_100000183762 [1,0,0,0,0,0|3,0,0]=4 559 B11R0.5 CCNNC(=O)CC(=O)OCC 22a_100000756455_100000243816 [1,0,0,0,0,0|2,0,0]=3 560 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [1,0,0,0,0,0|2,0,1]=4 561 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [1,0,0,0,0,0|2,0,1]=4 562 B11R0.5 CCOC(=O)CC(=O)C#CCO 1458a_100000049017_100000188475 [1,0,0,0,0,0|1,0,2]=4 563 B11R0.5 CCOC(=O)CC(=O)C=COC 1458a_100016268678_100000188475 [1,0,0,0,0,0|1,0,2]=4 564 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100000243816_100011215226 [1,0,0,0,0,0|1,0,1]=3 565 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000188475 [1,0,0,0,0,0|1,0,1]=3 566 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [1,0,0,0,0,0|1,0,0]=2 567 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [1,0,0,0,0,0|1,0,0]=2 568 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [1,0,0,0,0,0|1,0,0]=2 569 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [1,0,0,0,0,0|1,0,0]=2 570 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [1,0,0,0,0,0|1,0,0]=2 571 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [1,0,0,0,0,0|1,0,0]=2 572 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [1,0,0,0,0,0|1,0,0]=2 573 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [1,0,0,0,0,0|1,0,0]=2 574 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [1,0,0,0,0,0|1,0,0]=2 575 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100000210311_100015361967 [1,0,0,0,0,0|2,0,0]=3 576 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100015361967_100000210311 [1,0,0,0,0,0|2,0,0]=3 577 B11R0.5 CCOC(=O)CC(=O)NCCF 240690a_100000724931_100000243816 [1,0,0,0,0,0|2,0,0]=3 578 B11R0.5 CCOC(=O)CC(=O)NCCO 240690a_100000210304_100000243816 [1,0,0,0,0,0|2,0,0]=3 579 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [1,0,0,0,0,0|3,0,0]=4 580 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [1,0,0,0,0,0|3,0,0]=4 581 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [1,0,0,0,0,0|3,0,0]=4 582 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [1,0,0,0,0,0|3,0,0]=4 583 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [1,0,0,0,0,0|3,0,0]=4 584 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [1,0,0,0,0,0|3,0,0]=4 585 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [1,0,0,0,0,0|3,0,0]=4 586 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [1,0,0,0,0,0|3,0,0]=4 587 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [1,0,0,0,0,0|3,0,0]=4 588 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [1,0,0,0,0,0|3,0,0]=4 589 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [1,0,0,0,0,0|2,0,1]=4 590 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [1,0,0,0,0,0|2,0,1]=4 591 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [1,0,0,0,0,0|1,0,2]=4 592 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [1,0,0,0,0,0|1,0,2]=4 593 B11R0.5 CCOC(=O)NC(=O)CSCC 62a_100000210202_100000010344 [1,0,0,0,0,0|2,0,0]=3 594 B11R0.5 CCOC(=O)NC(=O)CSCF 62a_100015361967_100000010344 [1,0,0,0,0,0|3,0,0]=4 595 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [1,0,0,0,0,0|2,0,1]=4 596 B11R0.5 CCOCC(=O)CC(=O)NCO 1458a_100000211967_100000185155 [1,0,0,0,0,0|3,0,0]=4 597 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [1,0,0,0,0,0|1,0,0]=2 598 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [1,0,0,0,0,0|1,0,2]=4 599 B11R0.5 CCSCC(=O)CC(=O)NCO 1458a_100000230394_100000185155 [1,0,0,0,0,0|3,0,0]=4 600 B11R0.5 COCCC(=O)CC(=O)NCO 1458a_100000749529_100000185155 [1,0,0,0,0,0|3,0,0]=4 601 B11R0.5 CSCCC(=O)CC(=O)NCO 1458a_100000174002_100000185155 [1,0,0,0,0,0|3,0,0]=4 602 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [1,0,0,0,0,0|2,0,0]=3 603 B11R0.140 CC/C=C/CC(=O)CCCCF 1458a_100016274230_100000729493 [1,0,0,0,0,0|3,0,0]=4 604 B11R0.140 CC/C=C/CC(=O)CCCCO 1458a_100016274230_100000210776 [1,0,0,0,0,0|3,0,0]=4 605 B11R0.140 CC/C=C/CC(=O)CCCOC 1458a_100016274230_100000740836 [1,0,0,0,0,0|3,0,0]=4 606 B11R0.140 CC/C=C/CC(=O)CCOCC 1458a_100016274230_100011215890 [1,0,0,0,0,0|3,0,0]=4 607 B11R0.140 CC/C=C/CC(=O)CCSCC 1458a_100016274230_100000757381 [1,0,0,0,0,0|3,0,0]=4 608 B11R0.140 CC/C=C/CC(=O)NCCCC 11a_100000102301_100016274230 [1,0,0,0,0,0|2,0,0]=3 609 B11R0.140 CC/C=C/CC(=O)NCCCC 1626a_100000102301_100016274230 [1,0,0,0,0,0|2,0,0]=3 610 B11R0.140 CC/C=C/CC(=O)NCCCC 240690a_100000102301_100016274230 [1,0,0,0,0,0|2,0,0]=3 611 B11R0.140 CC/C=C/CC(=O)NCCCC 527a_100000102301_100016274230 [1,0,0,0,0,0|2,0,0]=3 612 B11R0.140 CC/C=C/CC(=O)NCCCF 11a_100015189416_100016274230 [1,0,0,0,0,0|3,0,0]=4 613 B11R0.140 CC/C=C/CC(=O)NCCCF 1626a_100015189416_100016274230 [1,0,0,0,0,0|3,0,0]=4 614 B11R0.140 CC/C=C/CC(=O)NCCCF 240690a_100015189416_100016274230 [1,0,0,0,0,0|3,0,0]=4 615 B11R0.140 CC/C=C/CC(=O)NCCCF 527a_100015189416_100016274230 [1,0,0,0,0,0|3,0,0]=4 616 B11R0.140 CC/C=C/CC(=O)NCCCO 240690a_100000182051_100016274230 [1,0,0,0,0,0|3,0,0]=4 617 B11R0.140 CC/C=C/CC(=O)NCCCO 527a_100000182051_100016274230 [1,0,0,0,0,0|3,0,0]=4 618 B11R0.140 CC/C=C/CC(=O)NCCOC 1626a_100000209980_100016274230 [1,0,0,0,0,0|3,0,0]=4 619 B11R0.140 CC/C=C/CC(=O)NCCOC 240690a_100000209980_100016274230 [1,0,0,0,0,0|3,0,0]=4 620 B11R0.140 CC/C=C/CC(=O)NCCOC 527a_100000209980_100016274230 [1,0,0,0,0,0|3,0,0]=4 621 B11R0.140 CC/C=C/CC(=O)NCCSC 11a_100020590264_100016274230 [1,0,0,0,0,0|3,0,0]=4 622 B11R0.140 CC/C=C/CC(=O)NCCSC 1626a_100020590264_100016274230 [1,0,0,0,0,0|3,0,0]=4 623 B11R0.140 CC/C=C/CC(=O)NCCSC 240690a_100020590264_100016274230 [1,0,0,0,0,0|3,0,0]=4 624 B11R0.140 CC/C=C/CC(=O)NCCSC 527a_100020590264_100016274230 [1,0,0,0,0,0|3,0,0]=4 625 B11R0.140 CC/C=C/CC(=O)NNCCC 22a_100000740057_100016274230 [1,0,0,0,0,0|3,0,0]=4 626 B11R0.140 CC/C=C\CC(=O)C#CCCC 1458a_200011218047_100103147603 [1,0,0,0,0,0|2,0,1]=4 627 B11R0.140 CC/C=C\CC(=O)C=CCCC 1458a_100000212230_100103147603 [1,0,0,0,0,0|2,0,1]=4 628 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [1,0,0,0,0,0|2,0,0]=3 629 B11R0.140 CC/C=C\CC(=O)CCCCO 1458a_100000695505_100103147603 [1,0,0,0,0,0|3,0,0]=4 630 B11R0.140 CC/C=C\CC(=O)CCCOC 1458a_100000741012_100103147603 [1,0,0,0,0,0|3,0,0]=4 631 B11R0.140 CC/C=C\CC(=O)CCCSC 1458a_100000173376_100103147603 [1,0,0,0,0,0|3,0,0]=4 632 B11R0.140 CC/C=C\CC(=O)CCOCC 1458a_100000749530_100103147603 [1,0,0,0,0,0|3,0,0]=4 633 B11R0.140 CC/C=C\CC(=O)CCSCC 1458a_100000230768_100103147603 [1,0,0,0,0,0|3,0,0]=4 634 B11R0.140 CC/C=C\CC(=O)COCCC 1458a_100000745993_100103147603 [1,0,0,0,0,0|3,0,0]=4 635 B11R0.140 CC/C=C\CC(=O)CSCCC 1458a_100000217233_100103147603 [1,0,0,0,0,0|3,0,0]=4 636 B11R0.140 CCC#CCC(=O)CCCCC 1458a_100000212188_100009813939 [1,0,0,0,0,0|2,0,1]=4 637 B11R0.140 CCCC#CC(=O)CCOCC 1458a_200011218047_100011215890 [1,0,0,0,0,0|1,0,2]=4 638 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [1,0,0,0,0,0|2,0,1]=4 639 B11R0.140 CCCC=CC(=O)CCOCC 1458a_100000212230_100011215890 [1,0,0,0,0,0|1,0,2]=4 640 B11R0.140 CCCC=CC(=O)NCCCC 11a_100000102301_100000212230 [1,0,0,0,0,0|2,0,1]=4 641 B11R0.140 CCCC=CC(=O)NCCCC 1626a_100000102301_100000212230 [1,0,0,0,0,0|2,0,1]=4 642 B11R0.140 CCCC=CC(=O)NCCCC 240690a_100000102301_100000212230 [1,0,0,0,0,0|2,0,1]=4 643 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [1,0,0,0,0,0|1,0,1]=3 644 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [1,0,0,0,0,0|2,0,1]=4 645 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [1,0,0,0,0,0|1,0,1]=3 646 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [1,0,0,0,0,0|1,0,1]=3 647 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [1,0,0,0,0,0|1,1,1]=4 648 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [1,0,0,0,0,0|1,1,1]=4 649 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [1,0,0,0,0,0|3,0,0]=4 650 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [1,0,0,0,0,0|3,0,0]=4 651 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [1,0,0,0,0,0|3,0,0]=4 652 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [1,0,0,0,0,0|3,0,0]=4 653 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [1,0,0,0,0,0|3,0,0]=4 654 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [1,0,0,0,0,0|2,0,1]=4 655 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [1,0,0,0,0,0|2,0,1]=4 656 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [1,0,0,0,0,0|2,0,1]=4 657 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [1,0,0,0,0,0|2,0,1]=4 658 B11R0.140 CCCCNC(=O)C=COCC 11a_100000102301_100016266692 [1,0,0,0,0,0|1,0,1]=3 659 B11R0.140 CCCCNC(=O)C=COCC 1626a_100000102301_100016266692 [1,0,0,0,0,0|1,0,1]=3 660 B11R0.140 CCCCNC(=O)C=COCC 240690a_100000102301_100016266692 [1,0,0,0,0,0|1,0,1]=3 661 B11R0.140 CCCCNC(=O)CCOCC 11a_100000102301_100000749530 [1,0,0,0,0,0|1,0,1]=3 662 B11R0.140 CCCCNC(=O)CCOCC 1626a_100000102301_100000749530 [1,0,0,0,0,0|1,0,1]=3 663 B11R0.140 CCCCNC(=O)CCOCC 240690a_100000102301_100000749530 [1,0,0,0,0,0|1,0,1]=3 664 B11R0.140 CCCCNC(=O)CCOCC 527a_100000102301_100000749530 [1,0,0,0,0,0|1,0,1]=3 665 B11R0.140 CCCCNC(=O)CCSCC 11a_100000102301_100000230768 [1,0,0,0,0,0|1,1,1]=4 666 B11R0.140 CCCCNC(=O)CCSCC 1626a_100000102301_100000230768 [1,0,0,0,0,0|1,1,1]=4 667 B11R0.140 CCCCNC(=O)CCSCC 240690a_100000102301_100000230768 [1,0,0,0,0,0|1,1,1]=4 668 B11R0.140 CCCCNC(=O)CCSCC 527a_100000102301_100000230768 [1,0,0,0,0,0|1,1,1]=4 669 B11R0.140 CCCCNC(=O)COCCC 11a_100000102301_100000745993 [1,0,0,0,0,0|3,0,0]=4 670 B11R0.140 CCCCNC(=O)COCCC 1626a_100000102301_100000745993 [1,0,0,0,0,0|3,0,0]=4 671 B11R0.140 CCCCNC(=O)COCCC 240690a_100000102301_100000745993 [1,0,0,0,0,0|3,0,0]=4 672 B11R0.140 CCCCNC(=O)COCCC 34a_100000210258_100000182744 [1,0,0,0,0,0|3,0,0]=4 673 B11R0.140 CCCCNC(=O)COCCC 527a_100000102301_100000745993 [1,0,0,0,0,0|3,0,0]=4 674 B11R0.140 CCCCNC(=O)CSCCC 11a_100000102301_100000217233 [1,0,0,0,0,0|3,0,0]=4 675 B11R0.140 CCCCNC(=O)CSCCC 1626a_100000102301_100000217233 [1,0,0,0,0,0|3,0,0]=4 676 B11R0.140 CCCCNC(=O)CSCCC 240690a_100000102301_100000217233 [1,0,0,0,0,0|3,0,0]=4 677 B11R0.140 CCCCNC(=O)CSCCC 527a_100000102301_100000217233 [1,0,0,0,0,0|3,0,0]=4 678 B11R0.140 CCCCNC(=O)CSCCC 62a_100000182744_100000210303 [1,0,0,0,0,0|3,0,0]=4 679 B11R0.140 CCCCNC(=O)CSCCC 62a_100000210303_100000182744 [1,0,0,0,0,0|3,0,0]=4 680 B11R0.140 CCCCOC(=O)CNCCF 34a_100000724931_100000211628 [1,0,0,0,0,0|3,0,0]=4 681 B11R0.140 CCCCOC(=O)CNCCO 2230a_100016997473_100000211628 [1,0,0,0,0,0|3,0,0]=4 682 B11R0.140 CCCCOC(=O)CNCCO 34a_100016990907_100000211628 [1,0,0,0,0,0|3,0,0]=4 683 B11R0.140 CCCCOC(=O)COCCBr 34a_100000211926_100000211628 [1,0,0,0,0,0|3,0,0]=4 684 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [1,0,0,0,0,0|2,0,0]=3 685 B11R0.140 CCCCOC(=O)COCCN 34a_100000210304_100000211628 [1,0,0,0,0,0|3,0,0]=4 686 B11R0.140 CCCCOC(=O)CSCCC 62a_100000210303_100000211628 [1,0,0,0,0,0|2,0,0]=3 687 B11R0.140 CCCCOC(=O)CSCCC 62a_100000211628_100000210303 [1,0,0,0,0,0|2,0,0]=3 688 B11R0.140 CCCCOC(=O)CSCCF 62a_100000211628_100011217306 [1,0,0,0,0,0|3,0,0]=4 689 B11R0.140 CCCCOC(=O)CSCCF 62a_100011217306_100000211628 [1,0,0,0,0,0|3,0,0]=4 690 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211628_100000211926 [1,0,0,0,0,0|3,0,0]=4 691 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211926_100000211628 [1,0,0,0,0,0|3,0,0]=4 692 B11R0.140 CCCCOC(=O)CSCOC 62a_100000211628_100000766300 [1,0,0,0,0,0|3,0,0]=4 693 B11R0.140 CCCCOC(=O)CSCOC 62a_100000766300_100000211628 [1,0,0,0,0,0|3,0,0]=4 694 B11R0.140 CCCCOC(=O)CSCSC 62a_100000211628_100011218213 [1,0,0,0,0,0|3,0,0]=4 695 B11R0.140 CCCCOC(=O)CSCSC 62a_100011218213_100000211628 [1,0,0,0,0,0|3,0,0]=4 696 B11R0.140 CCCNNC(=O)C=COCC 22a_100000740057_100016266692 [1,0,0,0,0,0|2,0,1]=4 697 B11R0.140 CCCNNC(=O)CCOCC 22a_100000740057_100000749530 [1,0,0,0,0,0|2,0,1]=4 698 B11R0.140 CCCOCC(=O)CCOCC 1458a_100000745993_100011215890 [1,0,0,0,0,0|2,0,1]=4 699 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [1,0,0,0,0,0|3,0,0]=4 700 B11R0.140 CCCSCC(=O)CCOCC 1458a_100000217233_100011215890 [1,0,0,0,0,0|2,0,1]=4 701 B11R0.140 CCCSCC(=O)OCCOC 62a_100000210303_200000040189 [1,0,0,0,0,0|3,0,0]=4 702 B11R0.140 CCCSCC(=O)OCCOC 62a_200000040189_100000210303 [1,0,0,0,0,0|3,0,0]=4 703 B11R0.140 CCOC=CC(=O)CCCCF 1458a_100016266692_100000729493 [1,0,0,0,0,0|2,0,1]=4 704 B11R0.140 CCOC=CC(=O)CCCCO 1458a_100016266692_100000210776 [1,0,0,0,0,0|2,0,1]=4 705 B11R0.140 CCOC=CC(=O)CCCOC 1458a_100016266692_100000740836 [1,0,0,0,0,0|2,0,1]=4 706 B11R0.140 CCOC=CC(=O)CCOCC 1458a_100016266692_100011215890 [1,0,0,0,0,0|2,0,1]=4 707 B11R0.140 CCOC=CC(=O)CCSCC 1458a_100016266692_100000757381 [1,0,0,0,0,0|2,0,1]=4 708 B11R0.140 CCOC=CC(=O)NCCCF 11a_100015189416_100016266692 [1,0,0,0,0,0|2,0,1]=4 709 B11R0.140 CCOC=CC(=O)NCCCF 1626a_100015189416_100016266692 [1,0,0,0,0,0|2,0,1]=4 710 B11R0.140 CCOC=CC(=O)NCCCF 240690a_100015189416_100016266692 [1,0,0,0,0,0|2,0,1]=4 711 B11R0.140 CCOC=CC(=O)NCCCO 240690a_100000182051_100016266692 [1,0,0,0,0,0|2,0,1]=4 712 B11R0.140 CCOC=CC(=O)NCCOC 1626a_100000209980_100016266692 [1,0,0,0,0,0|2,0,1]=4 713 B11R0.140 CCOC=CC(=O)NCCOC 240690a_100000209980_100016266692 [1,0,0,0,0,0|2,0,1]=4 714 B11R0.140 CCOC=CC(=O)NCCSC 11a_100020590264_100016266692 [1,0,0,0,0,0|2,0,1]=4 715 B11R0.140 CCOC=CC(=O)NCCSC 1626a_100020590264_100016266692 [1,0,0,0,0,0|2,0,1]=4 716 B11R0.140 CCOC=CC(=O)NCCSC 240690a_100020590264_100016266692 [1,0,0,0,0,0|2,0,1]=4 717 B11R0.140 CCOCCC(=O)CCCCF 1458a_100000749530_100000729493 [1,0,0,0,0,0|2,0,1]=4 718 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [1,0,0,0,0,0|2,0,1]=4 719 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [1,0,0,0,0,0|2,0,1]=4 720 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000741012_100011215890 [1,0,0,0,0,0|2,0,1]=4 721 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000749530_100000740836 [1,0,0,0,0,0|2,0,1]=4 722 B11R0.140 CCOCCC(=O)CCCSC 1458a_100000173376_100011215890 [1,0,0,0,0,0|2,0,1]=4 723 B11R0.140 CCOCCC(=O)CCOCC 1458a_100000749530_100011215890 [1,0,0,0,0,0|2,0,1]=4 724 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000230768_100011215890 [1,0,0,0,0,0|2,0,1]=4 725 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000749530_100000757381 [1,0,0,0,0,0|2,0,1]=4 726 B11R0.140 CCOCCC(=O)NCCCF 11a_100015189416_100000749530 [1,0,0,0,0,0|2,0,1]=4 727 B11R0.140 CCOCCC(=O)NCCCF 1626a_100015189416_100000749530 [1,0,0,0,0,0|2,0,1]=4 728 B11R0.140 CCOCCC(=O)NCCCF 240690a_100015189416_100000749530 [1,0,0,0,0,0|2,0,1]=4 729 B11R0.140 CCOCCC(=O)NCCCF 527a_100015189416_100000749530 [1,0,0,0,0,0|2,0,1]=4 730 B11R0.140 CCOCCC(=O)NCCCO 240690a_100000182051_100000749530 [1,0,0,0,0,0|2,0,1]=4 731 B11R0.140 CCOCCC(=O)NCCCO 527a_100000182051_100000749530 [1,0,0,0,0,0|2,0,1]=4 732 B11R0.140 CCOCCC(=O)NCCOC 1626a_100000209980_100000749530 [1,0,0,0,0,0|2,0,1]=4 733 B11R0.140 CCOCCC(=O)NCCOC 240690a_100000209980_100000749530 [1,0,0,0,0,0|2,0,1]=4 734 B11R0.140 CCOCCC(=O)NCCOC 527a_100000209980_100000749530 [1,0,0,0,0,0|2,0,1]=4 735 B11R0.140 CCOCCC(=O)NCCSC 11a_100020590264_100000749530 [1,0,0,0,0,0|2,0,1]=4 736 B11R0.140 CCOCCC(=O)NCCSC 1626a_100020590264_100000749530 [1,0,0,0,0,0|2,0,1]=4 737 B11R0.140 CCOCCC(=O)NCCSC 240690a_100020590264_100000749530 [1,0,0,0,0,0|2,0,1]=4 738 B11R0.140 CCOCCC(=O)NCCSC 527a_100020590264_100000749530 [1,0,0,0,0,0|2,0,1]=4 739 B11R0.154 C#CC(=O)CC(=O)CCCCC 1458a_100000211873_200012276598 [1,0,0,0,0,0|1,0,2]=4 740 B11R0.154 C#CC(=O)CC(=O)NCCCC 1458a_100000211873_100000182744 [1,0,0,0,0,0|1,0,2]=4 741 B11R0.154 C#CC(=O)CC(=O)OCCCC 1458a_100000211873_100000211628 [1,0,0,0,0,0|0,0,2]=3 742 B11R0.154 C#CC(=O)CC(=O)OCCOC 1458a_100000211873_200000040189 [1,0,0,0,0,0|1,0,2]=4 743 B11R0.154 C#CCCCC(=O)CC(=O)CC 1458a_100000690238_100000747405 [1,0,0,0,0,0|1,0,2]=4 744 B11R0.154 C#CCCCC(=O)CC(=O)OC 1458a_100000211351_100000731252 [1,0,0,0,0,0|1,0,2]=4 745 B11R0.154 C#CCCCC(=O)CC(=O)OC 1458a_100000690238_100000747449 [1,0,0,0,0,0|1,0,2]=4 746 B11R0.154 C#CCCNC(=O)CC(=O)OC 240690a_100000755551_100000211351 [1,0,0,0,0,0|1,0,2]=4 747 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [1,0,0,0,0,0|1,0,2]=4 748 B11R0.154 C=CC(=O)CC(=O)NCCCC 1458a_100000185746_100000182744 [1,0,0,0,0,0|1,0,2]=4 749 B11R0.154 C=CC(=O)CC(=O)OCCCC 1458a_100000185746_100000211628 [1,0,0,0,0,0|0,0,2]=3 750 B11R0.154 C=CC(=O)CC(=O)OCCOC 1458a_100000185746_200000040189 [1,0,0,0,0,0|1,0,2]=4 751 B11R0.154 C=CCCCC(=O)CC(=O)CC 1458a_100000766728_100000747405 [1,0,0,0,0,0|1,0,2]=4 752 B11R0.154 C=CCCCC(=O)CC(=O)OC 1458a_100000211351_100000757094 [1,0,0,0,0,0|1,0,2]=4 753 B11R0.154 C=CCCCC(=O)CC(=O)OC 1458a_100000766728_100000747449 [1,0,0,0,0,0|1,0,2]=4 754 B11R0.154 C=CCCNC(=O)CC(=O)OC 240690a_100015191253_100000211351 [1,0,0,0,0,0|1,0,2]=4 755 B11R0.154 CC/C=C/CC(=O)CC(=O)CC 1458a_100016274230_100000747405 [1,0,0,0,0,0|1,0,2]=4 756 B11R0.154 CC/C=C/CC(=O)CC(=O)OC 1458a_100016274230_100000747449 [1,0,0,0,0,0|1,0,2]=4 757 B11R0.154 CC/C=C\CC(=O)CC(=O)OC 1458a_100000211351_100103147603 [1,0,0,0,0,0|1,0,2]=4 758 B11R0.154 CCC#CCC(=O)CC(=O)OC 1458a_100000211351_100009813939 [1,0,0,0,0,0|1,0,2]=4 759 B11R0.154 CCC(=O)CC(=O)C=CCOC 1458a_100016285016_100000747405 [1,0,0,0,0,0|2,0,1]=4 760 B11R0.154 CCC(=O)CC(=O)CCCC#N 1458a_100000075515_100000747405 [1,0,0,0,0,0|2,0,1]=4 761 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [1,0,0,0,0,0|2,0,0]=3 762 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [1,0,0,0,0,0|2,0,0]=3 763 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [1,0,0,0,0,0|2,0,0]=3 764 B11R0.154 CCC(=O)CC(=O)COCCO 1458a_100000708028_100000747405 [1,0,0,0,0,0|3,0,0]=4 765 B11R0.154 CCC(=O)CC(=O)NCCOC 1458a_100000210414_100000183275 [1,0,0,0,0,0|2,0,0]=3 766 B11R0.154 CCC(=O)CC(=O)OCCOC 1458a_100000210414_200000040189 [1,0,0,0,0,0|1,0,0]=2 767 B11R0.154 CCCC#CC(=O)CC(=O)CC 1458a_200011218047_100000747405 [1,0,0,0,0,0|1,0,1]=3 768 B11R0.154 CCCC#CC(=O)CC(=O)NC 1458a_200011218047_100000183359 [1,0,0,0,0,0|2,0,1]=4 769 B11R0.154 CCCC#CC(=O)CC(=O)OC 1458a_200011218047_100000747449 [1,0,0,0,0,0|1,0,1]=3 770 B11R0.154 CCCC=CC(=O)CC(=O)CC 1458a_100000212230_100000747405 [1,0,0,0,0,0|1,0,1]=3 771 B11R0.154 CCCC=CC(=O)CC(=O)NC 1458a_100000212230_100000183359 [1,0,0,0,0,0|2,0,1]=4 772 B11R0.154 CCCC=CC(=O)CC(=O)OC 1458a_100000212230_100000747449 [1,0,0,0,0,0|1,0,1]=3 773 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [1,0,0,0,0,0|2,0,1]=4 774 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [1,0,0,0,0,0|1,0,0]=2 775 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [1,0,0,0,0,0|1,0,0]=2 776 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [1,0,0,0,0,0|2,0,0]=3 777 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [1,0,0,0,0,0|2,0,0]=3 778 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [1,0,0,0,0,0|1,0,0]=2 779 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [1,0,0,0,0,0|1,0,0]=2 780 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [1,0,0,0,0,0|2,0,1]=4 781 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [1,0,0,0,0,0|2,0,1]=4 782 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [1,0,0,0,0,0|1,0,2]=4 783 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [1,0,0,0,0,0|1,0,2]=4 784 B11R0.154 CCCCCC(=O)CN(C)CC 1458a_100116209913_100000210326 [1,0,0,0,0,0|3,0,0]=4 785 B11R0.154 CCCCCC(=O)CN(C)CC 2230a_100000225621_200012276598 [1,0,0,0,0,0|3,0,0]=4 786 B11R0.154 CCCCCC(=O)CN(C)CC 269982a_100000225621_200012276598 [1,0,0,0,0,0|3,0,0]=4 787 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [1,0,0,0,0,0|2,0,1]=4 788 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [1,0,0,0,0,0|3,0,0]=4 789 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [1,0,0,0,0,0|3,0,0]=4 790 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [1,0,0,0,0,0|3,0,0]=4 791 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [1,0,0,0,0,0|3,0,0]=4 792 B11R0.154 CCCCNC(=O)C=C(C)CC 11a_100000102301_100020758463 [1,0,0,0,0,0|2,0,1]=4 793 B11R0.154 CCCCNC(=O)C=C(C)CC 1626a_100000102301_100020758463 [1,0,0,0,0,0|2,0,1]=4 794 B11R0.154 CCCCNC(=O)C=C(C)CC 240690a_100000102301_100020758463 [1,0,0,0,0,0|2,0,1]=4 795 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [1,0,0,0,0,0|1,0,0]=2 796 B11R0.154 CCCCNC(=O)CC(=O)CO 1458a_100000210174_100000182744 [1,0,0,0,0,0|2,0,0]=3 797 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [1,0,0,0,0,0|1,0,0]=2 798 B11R0.154 CCCCNC(=O)CC(C)CC 11a_100000102301_100000708755 [1,0,0,0,0,0|2,0,1]=4 799 B11R0.154 CCCCNC(=O)CC(C)CC 1626a_100000102301_100000708755 [1,0,0,0,0,0|2,0,1]=4 800 B11R0.154 CCCCNC(=O)CC(C)CC 240690a_100000102301_100000708755 [1,0,0,0,0,0|2,0,1]=4 801 B11R0.154 CCCCNC(=O)CC(C)CC 527a_100000102301_100000708755 [1,0,0,0,0,0|2,0,1]=4 802 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [1,0,0,0,0,0|1,0,2]=4 803 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [1,0,0,0,0,0|1,0,2]=4 804 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_100000225621_100000182744 [1,0,0,0,0,0|3,0,0]=4 805 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_200000213093_100000210202 [1,0,0,0,0,0|3,0,0]=4 806 B11R0.154 CCCCNC(=O)CN(C)CC 240690a_100000102301_100116209913 [1,0,0,0,0,0|3,0,0]=4 807 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_100000225621_100000182744 [1,0,0,0,0,0|3,0,0]=4 808 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_200000213093_100000204670 [1,0,0,0,0,0|3,0,0]=4 809 B11R0.154 CCCCNC(=O)CN(C)CC 527a_100000102301_100116209913 [1,0,0,0,0,0|3,0,0]=4 810 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [1,0,0,0,0,0|2,0,1]=4 811 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [1,0,0,0,0,0|2,0,1]=4 812 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [1,0,0,0,0,0|0,0,0]=1 813 B11R0.154 CCCCOC(=O)CC(=O)CO 1458a_100000210174_100000211628 [1,0,0,0,0,0|1,0,0]=2 814 B11R0.154 CCCCOC(=O)CN(C)CC 2230a_100000225621_100000211628 [1,0,0,0,0,0|2,0,0]=3 815 B11R0.154 CCCCOC(=O)CN(C)CC 269982a_100000225621_100000211628 [1,0,0,0,0,0|2,0,0]=3 816 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [1,0,0,0,0,0|1,0,1]=3 817 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [1,0,0,0,0,0|1,0,1]=3 818 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [1,0,0,0,0,0|1,1,1]=4 819 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [1,0,0,0,0,0|1,1,1]=4 820 B11R0.154 CCCNN=C(C)CC(=O)OC 4a_100000740057_100000210079 [1,0,0,0,0,0|3,0,0]=4 821 B11R0.154 CCCNNC(=O)CC(=O)OC 22a_100000740057_100000211351 [1,0,0,0,0,0|2,0,0]=3 822 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [1,0,0,0,0,0|2,0,0]=3 823 B11R0.154 CCCOCC(=O)CC(=O)NC 1458a_100000745993_100000183359 [1,0,0,0,0,0|3,0,0]=4 824 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [1,0,0,0,0,0|2,0,0]=3 825 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [1,0,0,0,0,0|2,0,0]=3 826 B11R0.154 CCCSCC(=O)CC(=O)NC 1458a_100000217233_100000183359 [1,0,0,0,0,0|3,0,0]=4 827 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [1,0,0,0,0,0|2,0,0]=3 828 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [1,0,0,0,0,0|2,0,0]=3 829 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [1,0,0,0,0,0|2,0,0]=3 830 B11R0.154 CCCSCC(=O)NC(=O)OC 62a_100000210303_100000010850 [1,0,0,0,0,0|3,0,0]=4 831 B11R0.154 CCN(C)CC(=O)OCCOC 2230a_100000225621_200000040189 [1,0,0,0,0,0|3,0,0]=4 832 B11R0.154 CCN(C)CC(=O)OCCOC 269982a_100000225621_200000040189 [1,0,0,0,0,0|3,0,0]=4 833 B11R0.154 CCOC=CC(=O)CC(=O)CC 1458a_100016266692_100000747405 [1,0,0,0,0,0|2,0,1]=4 834 B11R0.154 CCOC=CC(=O)CC(=O)OC 1458a_100016266692_100000747449 [1,0,0,0,0,0|2,0,1]=4 835 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [1,0,0,0,0,0|2,0,0]=3 836 B11R0.154 CCOCCC(=O)CC(=O)NC 1458a_100000749530_100000183359 [1,0,0,0,0,0|3,0,0]=4 837 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [1,0,0,0,0,0|2,0,0]=3 838 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [1,0,0,0,0,0|2,0,0]=3 839 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [1,0,0,0,0,0|2,0,0]=3 840 B11R0.154 CCSCCC(=O)CC(=O)NC 1458a_100000230768_100000183359 [1,0,0,0,0,0|3,0,0]=4 841 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [1,0,0,0,0,0|2,0,0]=3 842 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [1,0,0,0,0,0|2,0,0]=3 843 B11R0.154 CNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183359 [1,0,0,0,0,0|3,0,0]=4 844 B11R0.154 CNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183359 [1,0,0,0,0,0|3,0,0]=4 845 B11R0.154 CNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183359 [1,0,0,0,0,0|3,0,0]=4 846 B11R0.154 COC(=O)CC(=O)CCCC#N 1458a_100000075515_100000747449 [1,0,0,0,0,0|2,0,1]=4 847 B11R0.154 COC(=O)CC(=O)CCCC#N 1458a_100000211351_100000211468 [1,0,0,0,0,0|2,0,1]=4 848 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [1,0,0,0,0,0|2,0,0]=3 849 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [1,0,0,0,0,0|2,0,0]=3 850 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [1,0,0,0,0,0|2,0,0]=3 851 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [1,0,0,0,0,0|2,0,0]=3 852 B11R0.154 COC(=O)CC(=O)COCCO 1458a_100000708028_100000747449 [1,0,0,0,0,0|3,0,0]=4 853 B11R0.154 COC(=O)CC(=O)CSCCF 62a_100000210525_100011217306 [1,0,0,0,0,0|3,0,0]=4 854 B11R0.154 COC(=O)CC(=O)CSCCF 62a_100011217306_100000210525 [1,0,0,0,0,0|3,0,0]=4 855 B11R0.154 COC(=O)CC(=O)CSCCO 62a_100000210525_100000211926 [1,0,0,0,0,0|3,0,0]=4 856 B11R0.154 COC(=O)CC(=O)CSCCO 62a_100000211926_100000210525 [1,0,0,0,0,0|3,0,0]=4 857 B11R0.154 COC(=O)CC(=O)CSCSC 62a_100000210525_100011218213 [1,0,0,0,0,0|3,0,0]=4 858 B11R0.154 COC(=O)CC(=O)CSCSC 62a_100011218213_100000210525 [1,0,0,0,0,0|3,0,0]=4 859 B11R0.154 COC(=O)CC(=O)NCCC#N 240690a_100000720768_100000211351 [1,0,0,0,0,0|2,0,1]=4 860 B11R0.154 COC(=O)CC(=O)NCCCF 240690a_100015189416_100000211351 [1,0,0,0,0,0|2,0,0]=3 861 B11R0.154 COC(=O)CC(=O)NCCCO 240690a_100000182051_100000211351 [1,0,0,0,0,0|2,0,0]=3 862 B11R0.154 COC(=O)CC(=O)NCCSC 240690a_100020590264_100000211351 [1,0,0,0,0,0|2,0,0]=3 863 B11R0.154 COC(=O)CC(=O)NNCCO 22a_100000210001_100000211351 [1,0,0,0,0,0|3,0,0]=4 864 B11R0.154 COC(=O)CC(C)OCCCBr 34a_100011217188_100009817358 [1,0,0,0,0,0|2,0,1]=4 865 B11R0.154 COC(=O)CC(C)OCCCCl 34a_100000230001_100009817358 [1,0,0,0,0,0|2,0,1]=4 866 B11R0.154 COC(=O)CC(C)OCCCF 34a_100000759539_100009817358 [1,0,0,0,0,0|2,0,1]=4 867 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [1,0,0,0,0,0|2,0,1]=4 868 B11R0.154 COC(=O)CC(C)OCCSC 34a_100000230434_100009817358 [1,0,0,0,0,0|2,0,1]=4 869 B11R0.154 COC(=O)CC(C)OCCSC 7a_100000230434_100009817358 [1,0,0,0,0,0|2,0,1]=4 870 B11R0.154 COCC=CC(=O)CC(=O)OC 1458a_100016285016_100000747449 [1,0,0,0,0,0|2,0,1]=4 871 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [1,0,0,0,0,0|2,0,0]=3 872 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [1,0,0,0,0,0|2,0,0]=3 873 B11R0.154 COCCNC(=O)CC(=O)CO 1458a_100000210174_100000183275 [1,0,0,0,0,0|3,0,0]=4 874 B11R0.154 COCCNC(=O)CC(=O)OC 240690a_100000209980_100000211351 [1,0,0,0,0,0|2,0,0]=3 875 B11R0.154 COCCOC(=O)CC(=O)CO 1458a_100000210174_200000040189 [1,0,0,0,0,0|2,0,0]=3 876 B11R0.154 COCCOC(C)CC(=O)OC 34a_100000210237_100009817358 [1,0,0,0,0,0|2,0,1]=4 877 B11R0.154 COCSCC(=O)CC(=O)OC 62a_100000210525_100000766300 [1,0,0,0,0,0|3,0,0]=4 878 B11R0.154 COCSCC(=O)CC(=O)OC 62a_100000766300_100000210525 [1,0,0,0,0,0|3,0,0]=4 879 B13R0.39 C=C(CC(=O)OCC)C(=O)NCCC 1626a_100020643023_200000043866 [0,1,0,0,0,0|3,0,0]=4 880 B13R0.39 C=C(CCC)CC(=O)C(C)CCCC 1458a_100000138376_200011215066 [0,1,0,0,0,0|3,0,0]=4 881 B13R0.39 C=C(CCC)CC(=O)N(C)CCCC 11a_100000207549_100000138376 [0,1,0,0,0,0|3,0,0]=4 882 B13R0.39 C=C(CCC)CC(=O)N(C)CCCC 240690a_100000207549_100000138376 [0,1,0,0,0,0|3,0,0]=4 883 B13R0.39 C=C(CCC)CC(=O)N(C)CCCC 527a_100000207549_100000138376 [0,1,0,0,0,0|3,0,0]=4 884 B13R0.39 C=CCCN(C)C(=O)CC(=O)OCC 240690a_100020639649_100000243816 [0,1,0,0,0,0|1,0,2]=4 885 B13R0.39 C=COC(=O)CC(=O)C(C)CCCC 1458a_100000725509_100000036128 [0,1,0,0,0,0|1,0,2]=4 886 B13R0.39 C=COC(=O)CC(=O)C(O)CCCC 1458a_100000720857_100000036128 [0,1,0,0,0,0|1,0,2]=4 887 B13R0.39 CC#CC(=O)CC(=O)N(C)CCCC 1458a_100000763181_100000230175 [0,1,0,0,0,0|2,0,1]=4 888 B13R0.39 CC=CC(=O)CC(=O)N(C)CCCC 1458a_100000210699_100000230175 [0,1,0,0,0,0|2,0,1]=4 889 B13R0.39 CCC/C=C(\C)/C(=O)CC(=O)CCC 1458a_200020648666_100000747444 [0,1,0,0,0,0|2,0,1]=4 890 B13R0.39 CCC/C=C(\C)/C(=O)CC(=O)NCC 1458a_200020648666_100000183381 [0,1,0,0,0,0|2,0,1]=4 891 B13R0.39 CCC/C=C(\C)/C(=O)CC(=O)OCC 1458a_200020648666_100000188475 [0,1,0,0,0,0|1,0,1]=3 892 B13R0.39 CCCC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000747444 [0,1,0,0,0,0|3,0,0]=4 893 B13R0.39 CCCCC(=O)C(C)CC(=O)OCC 1458a_100000210183_100009817359 [0,1,0,0,0,0|2,0,1]=4 894 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000210183 [0,1,0,0,0,0|3,0,0]=4 895 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000210183 [0,1,0,0,0,0|3,0,0]=4 896 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000210183 [0,1,0,0,0,0|3,0,0]=4 897 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000210183 [0,1,0,0,0,0|3,0,0]=4 898 B13R0.39 CCCCC(C)C(=O)CC(=O)CCC 1458a_100000725509_100000747444 [0,1,0,0,0,0|2,0,0]=3 899 B13R0.39 CCCCC(C)C(=O)CC(=O)NCC 1458a_100000725509_100000183381 [0,1,0,0,0,0|2,0,0]=3 900 B13R0.39 CCCCC(C)C(=O)CC(=O)NCO 1458a_100000725509_100000185155 [0,1,0,0,0,0|3,0,0]=4 901 B13R0.39 CCCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_200011215066 [0,1,0,0,0,0|1,0,0]=2 902 B13R0.39 CCCCC(C)C(=O)CC(=O)OCC 1458a_100000725509_100000188475 [0,1,0,0,0,0|1,0,0]=2 903 B13R0.39 CCCCC(C)C(=O)CS(=O)CCC 1458a_100011387404_200011215066 [0,1,0,0,0,0|3,0,0]=4 904 B13R0.39 CCCCC(C)N(C)CC(=O)OCC 2230a_100000220588_200011215066 [0,1,0,0,0,0|3,0,0]=4 905 B13R0.39 CCCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000210087 [0,1,0,0,0,0|3,0,0]=4 906 B13R0.39 CCCCC(O)C(=O)CC(=O)CCC 1458a_100000720857_100000747444 [0,1,0,0,0,0|2,0,0]=3 907 B13R0.39 CCCCC(O)C(=O)CC(=O)NCC 1458a_100000720857_100000183381 [0,1,0,0,0,0|2,0,0]=3 908 B13R0.39 CCCCC(O)C(=O)CC(=O)NCO 1458a_100000720857_100000185155 [0,1,0,0,0,0|3,0,0]=4 909 B13R0.39 CCCCC(O)C(=O)CC(=O)OCC 1458a_100000720857_100000188475 [0,1,0,0,0,0|1,0,0]=2 910 B13R0.39 CCCCN(C)C(=O)CC(=O)CCC 1458a_100000211992_100000230175 [0,1,0,0,0,0|2,0,0]=3 911 B13R0.39 CCCCN(C)C(=O)CC(=O)CCO 1458a_100011216618_100000230175 [0,1,0,0,0,0|3,0,0]=4 912 B13R0.39 CCCCN(C)C(=O)CC(=O)COC 1458a_100000210968_100000230175 [0,1,0,0,0,0|3,0,0]=4 913 B13R0.39 CCCCN(C)C(=O)CC(=O)CSC 1458a_100000184570_100000230175 [0,1,0,0,0,0|3,0,0]=4 914 B13R0.39 CCCCN(C)C(=O)CC(=O)OCC 240690a_100000207549_100000243816 [0,1,0,0,0,0|1,0,0]=2 915 B13R0.39 CCCCN(C)C(=O)CS(=O)CCC 11a_100000207549_100011387404 [0,1,0,0,0,0|3,0,0]=4 916 B13R0.39 CCCCN(C)C(=O)CS(=O)CCC 1626a_100000207549_100011387404 [0,1,0,0,0,0|3,0,0]=4 917 B13R0.39 CCCCN(C)C(=O)CS(=O)CCC 240690a_100000207549_100011387404 [0,1,0,0,0,0|3,0,0]=4 918 B13R0.39 CCCCN(C)C(=O)CS(=O)CCC 527a_100000207549_100011387404 [0,1,0,0,0,0|3,0,0]=4 919 B13R0.39 CCCCN(C)C(C)CC(=O)OCC 2230a_100000207549_100009817359 [0,1,0,0,0,0|2,0,1]=4 920 B13R0.39 CCCCN(C)C(C)CC(=O)OCC 269982a_100000207549_100009817359 [0,1,0,0,0,0|2,0,1]=4 921 B13R0.39 CCCNC(=O)C(=O)CC(=O)CCC 1458a_200011297150_100000747444 [0,1,0,0,0,0|3,0,0]=4 922 B13R0.39 CCCNC(=O)C(=O)CC(=O)NCC 1458a_200011297150_100000183381 [0,1,0,0,0,0|3,0,0]=4 923 B13R0.39 CCCNC(=O)C(=O)CC(=O)OCC 1458a_200011297150_100000188475 [0,1,0,0,0,0|2,0,0]=3 924 B13R0.39 CCCSC(C)C(=O)CC(=O)OCC 62a_100000210303_100010090504 [0,1,0,0,0,0|2,0,0]=3 925 B13R0.39 CCCSC(C)C(=O)CC(=O)OCC 62a_100010090504_100000210303 [0,1,0,0,0,0|2,0,0]=3 926 B13R0.39 CCNC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000183381 [0,1,0,0,0,0|3,0,0]=4 927 B13R0.39 CCOC(=O)CC(=O)C(C)SCCF 62a_100010090504_100011217306 [0,1,0,0,0,0|3,0,0]=4 928 B13R0.39 CCOC(=O)CC(=O)C(C)SCCF 62a_100011217306_100010090504 [0,1,0,0,0,0|3,0,0]=4 929 B13R0.39 CCOC(=O)CC(=O)C(C)SCCO 62a_100000211926_100010090504 [0,1,0,0,0,0|3,0,0]=4 930 B13R0.39 CCOC(=O)CC(=O)C(C)SCCO 62a_100010090504_100000211926 [0,1,0,0,0,0|3,0,0]=4 931 B13R0.39 CCOC(=O)CC(=O)C(C)SCOC 62a_100000766300_100010090504 [0,1,0,0,0,0|3,0,0]=4 932 B13R0.39 CCOC(=O)CC(=O)C(C)SCOC 62a_100010090504_100000766300 [0,1,0,0,0,0|3,0,0]=4 933 B13R0.39 CCOC(=O)CC(=O)C(C)SCSC 62a_100010090504_100011218213 [0,1,0,0,0,0|3,0,0]=4 934 B13R0.39 CCOC(=O)CC(=O)C(C)SCSC 62a_100011218213_100010090504 [0,1,0,0,0,0|3,0,0]=4 935 B13R0.39 CCOC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000188475 [0,1,0,0,0,0|2,0,0]=3 936 B13R0.39 CCOC(=O)CC(=O)N(C)CCC#N 240690a_100000184479_100000243816 [0,1,0,0,0,0|2,0,1]=4 937 B13R0.39 CCOC(=O)CC(=O)N(C)CCCO 240690a_100000213112_100000243816 [0,1,0,0,0,0|2,0,0]=3 938 B13R0.39 CCOC(=O)CC(=O)N(C)CCOC 240690a_100000743101_100000243816 [0,1,0,0,0,0|2,0,0]=3 939 B13R0.39 CCOC(=O)CC(=O)N(C)CCSC 240690a_100000686725_100000243816 [0,1,0,0,0,0|2,0,0]=3 940 B13R0.89 C=C(CCC)CC(=O)CC(=O)CCC 1458a_100000138376_100000747444 [0,1,0,0,0,0|2,0,1]=4 941 B13R0.89 C=C(CCC)CC(=O)CC(=O)NCC 1458a_100000138376_100000183381 [0,1,0,0,0,0|2,0,1]=4 942 B13R0.89 C=C(CCC)CC(=O)CC(=O)OCC 1458a_100000138376_100000188475 [0,1,0,0,0,0|1,0,1]=3 943 B13R0.89 C=C(CCC)CC(=O)CC(C)CCC 1458a_100000138376_100011216630 [0,1,0,0,0,0|3,0,0]=4 944 B13R0.89 C=C(CCC)CC(=O)NC(C)CCC 11a_100000741246_100000138376 [0,1,0,0,0,0|3,0,0]=4 945 B13R0.89 C=C(CCC)CC(=O)NC(C)CCC 240690a_100000741246_100000138376 [0,1,0,0,0,0|3,0,0]=4 946 B13R0.89 C=C(CCC)CC(=O)NC(C)CCC 527a_100000741246_100000138376 [0,1,0,0,0,0|3,0,0]=4 947 B13R0.89 C=COC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000036128 [0,1,0,0,0,0|1,0,2]=4 948 B13R0.89 CCCC(=CC(=O)CC(=O)NCC)C 1458a_100020676950_100000183381 [0,1,0,0,0,0|2,0,1]=4 949 B13R0.89 CCCC(=CC(=O)CC(=O)OCC)C 1458a_100020676950_100000188475 [0,1,0,0,0,0|1,0,1]=3 950 B13R0.89 CCCC(=O)CC(=O)C=C(C)CCC 1458a_100020676950_100000747444 [0,1,0,0,0,0|2,0,1]=4 951 B13R0.89 CCCC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000747444 [0,1,0,0,0,0|1,0,1]=3 952 B13R0.89 CCCC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000747444 [0,1,0,0,0,0|2,0,0]=3 953 B13R0.89 CCCC(=O)CC(=O)CC(C)SCC 1458a_200011311441_100000747444 [0,1,0,0,0,0|3,0,0]=4 954 B13R0.89 CCCC(=O)CC(=O)CS(=O)CCC 1458a_100011387404_100000747444 [0,1,0,0,0,0|3,0,0]=4 955 B13R0.89 CCCC(=O)CC(=O)NC(=O)OCC 1458a_100000211992_100000010344 [0,1,0,0,0,0|2,0,1]=4 956 B13R0.89 CCCC(C)CC(=O)CC(=O)NCC 1458a_100000748435_100000183381 [0,1,0,0,0,0|2,0,0]=3 957 B13R0.89 CCCC(C)CC(=O)CC(=O)NCO 1458a_100000748435_100000185155 [0,1,0,0,0,0|3,0,0]=4 958 B13R0.89 CCCC(C)CC(=O)CC(=O)OCC 1458a_100000243816_100011216630 [0,1,0,0,0,0|1,0,0]=2 959 B13R0.89 CCCC(C)CC(=O)CC(=O)OCC 1458a_100000748435_100000188475 [0,1,0,0,0,0|1,0,0]=2 960 B13R0.89 CCCC(C)CC(=O)CS(=O)CCC 1458a_100011387404_100011216630 [0,1,0,0,0,0|3,0,0]=4 961 B13R0.89 CCCC(C)CN(C)CC(=O)OCC 2230a_100000220588_100011216630 [0,1,0,0,0,0|3,0,0]=4 962 B13R0.89 CCCC(C)CN(C)CC(=O)OCC 270004a_100000220588_100000243154 [0,1,0,0,0,0|3,0,0]=4 963 B13R0.89 CCCC(C)NC(=O)CC(=O)OCC 240690a_100000741246_100000243816 [0,1,0,0,0,0|1,0,0]=2 964 B13R0.89 CCCC(C)NC(=O)CS(=O)CCC 11a_100000741246_100011387404 [0,1,0,0,0,0|3,0,0]=4 965 B13R0.89 CCCC(C)NC(=O)CS(=O)CCC 1626a_100000741246_100011387404 [0,1,0,0,0,0|3,0,0]=4 966 B13R0.89 CCCC(C)NC(=O)CS(=O)CCC 240690a_100000741246_100011387404 [0,1,0,0,0,0|3,0,0]=4 967 B13R0.89 CCCC(C)NC(=O)CS(=O)CCC 527a_100000741246_100011387404 [0,1,0,0,0,0|3,0,0]=4 968 B13R0.89 CCCC(C)NC(C)CC(=O)OCC 2230a_100000741246_100009817359 [0,1,0,0,0,0|2,0,1]=4 969 B13R0.89 CCCC(C)OC(C)CC(=O)OCC 7a_100000764384_100009817359 [0,1,0,0,0,0|1,0,1]=3 970 B13R0.89 CCCC(C)O[C@H](C)CC(=O)OCC 7a_100009816390_100000766640 [0,1,0,0,0,0|1,0,1]=3 971 B13R0.89 CCCC(C)SC(C)CC(=O)OCC 62a_100000766640_100009817359 [0,1,0,0,0,0|1,1,1]=4 972 B13R0.89 CCCC(C)SC(C)CC(=O)OCC 62a_100009817359_100000766640 [0,1,0,0,0,0|1,1,1]=4 973 B13R0.89 CCCN(C)CC(=O)CC(=O)OCC 269982a_100000747261_100000210311 [0,1,0,0,0,0|2,0,0]=3 974 B13R0.89 CCCN(C)CC(=O)NC(=O)OCC 269982a_100000747261_100000010344 [0,1,0,0,0,0|3,0,0]=4 975 B13R0.89 CCCS(=O)CC(=O)CC(=O)NCC 1458a_100011387404_100000183381 [0,1,0,0,0,0|3,0,0]=4 976 B13R0.89 CCCS(=O)CC(=O)CC(=O)OCC 1458a_100011387404_100000188475 [0,1,0,0,0,0|2,0,0]=3 977 B13R0.89 CCNC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000183381 [0,1,0,0,0,0|2,0,1]=4 978 B13R0.89 CCNC(=O)CC(=O)CC(C)SCC 1458a_200011311441_100000183381 [0,1,0,0,0,0|3,0,0]=4 979 B13R0.89 CCOC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000188475 [0,1,0,0,0,0|2,0,1]=4 980 B13R0.89 CCOC(=O)CC(=O)CC(C)SCC 1458a_200011311441_100000188475 [0,1,0,0,0,0|2,0,0]=3 981 B13R0.89 CCOC(=O)CC(=O)CN(C)CCO 269982a_100000210263_100000210311 [0,1,0,0,0,0|3,0,0]=4 982 B13R0.89 CCOC(=O)CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000243816 [0,1,0,0,0,0|2,0,1]=4 983 B13R0.89 CCOC(=O)CC(=O)N[C@H](C)CCO 240690a_100000706166_100000243816 [0,1,0,0,0,0|2,0,0]=3 984 B13R0.89 CCOC(=O)CC(=O)N[C@H](C)COC 240690a_100000764878_100000243816 [0,1,0,0,0,0|2,0,0]=3 985 B13R0.89 CCOC(=O)C[C@@H](C)OC(C)CCO 7a_100009816390_100009893172 [0,1,0,0,0,0|2,0,1]=4 986 B13R0.89 CCOC(=O)C[C@@H](C)OC(C)COC 7a_100009816390_100000765312 [0,1,0,0,0,0|2,0,1]=4 987 B13R0.195 C#CCCC(=O)CC(=O)CCCCC 1458a_100000692101_200012276598 [0,1,0,0,0,0|2,0,1]=4 988 B13R0.195 C#CCCC(=O)CC(=O)NCCCC 1458a_100000692101_100000182744 [0,1,0,0,0,0|2,0,1]=4 989 B13R0.195 C#CCCC(=O)CC(=O)OCCCC 1458a_100000692101_100000211628 [0,1,0,0,0,0|1,0,1]=3 990 B13R0.195 C#CCCC(=O)CC(=O)OCCOC 1458a_100000692101_200000040189 [0,1,0,0,0,0|2,0,1]=4 991 B13R0.195 C#CCCCC(=O)CC(=O)OCCC 1458a_100000690238_200011215008 [0,1,0,0,0,0|1,0,2]=4 992 B13R0.195 C=C(CC(=O)C#CCCC)OCOC 1458a_200011218047_100000042856 [0,1,0,0,0,0|2,0,1]=4 993 B13R0.195 C=C(CC(=O)C=CCCC)OCOC 1458a_100000212230_100000042856 [0,1,0,0,0,0|2,0,1]=4 994 B13R0.195 C=C(CC(=O)CCCCC)OCOC 1458a_100000212188_100000042856 [0,1,0,0,0,0|2,0,0]=3 995 B13R0.195 C=C(CC(=O)CCCCO)OCOC 1458a_100000695505_100000042856 [0,1,0,0,0,0|3,0,0]=4 996 B13R0.195 C=C(CC(=O)CCCOC)OCOC 1458a_100000741012_100000042856 [0,1,0,0,0,0|3,0,0]=4 997 B13R0.195 C=C(CC(=O)CCCSC)OCOC 1458a_100000173376_100000042856 [0,1,0,0,0,0|3,0,0]=4 998 B13R0.195 C=C(CC(=O)CCOCC)OCOC 1458a_100000749530_100000042856 [0,1,0,0,0,0|3,0,0]=4 999 B13R0.195 C=C(CC(=O)CCSCC)OCOC 1458a_100000230768_100000042856 [0,1,0,0,0,0|3,0,0]=4 1000 B13R0.195 C=C(CC(=O)COCCC)OCOC 1458a_100000745993_100000042856 [0,1,0,0,0,0|3,0,0]=4 1001 B13R0.195 C=C(CC(=O)CSCCC)OCOC 1458a_100000217233_100000042856 [0,1,0,0,0,0|3,0,0]=4 1002 B13R0.195 C=CC=CC(=O)CC(=O)OCCCC 1458a_100016291481_100000211628 [0,1,0,0,0,0|1,0,2]=4 1003 B13R0.195 C=CCCC(=O)CC(=O)CCCCC 1458a_100000749702_200012276598 [0,1,0,0,0,0|2,0,1]=4 1004 B13R0.195 C=CCCC(=O)CC(=O)NCCCC 1458a_100000749702_100000182744 [0,1,0,0,0,0|2,0,1]=4 1005 B13R0.195 C=CCCC(=O)CC(=O)OCCCC 1458a_100000749702_100000211628 [0,1,0,0,0,0|1,0,1]=3 1006 B13R0.195 C=CCCC(=O)CC(=O)OCCOC 1458a_100000749702_200000040189 [0,1,0,0,0,0|2,0,1]=4 1007 B13R0.195 C=CCCCC(=O)CC(=O)OCCC 1458a_100000766728_200011215008 [0,1,0,0,0,0|1,0,2]=4 1008 B13R0.195 C=CCNC(=O)CC(=O)CCCCC 1458a_100000212188_100000183597 [0,1,0,0,0,0|2,0,1]=4 1009 B13R0.195 C=CCOC(=O)CC(=O)C#CCCC 1458a_200011218047_100000033060 [0,1,0,0,0,0|1,0,2]=4 1010 B13R0.195 C=CCOC(=O)CC(=O)C=CCCC 1458a_100000212230_100000033060 [0,1,0,0,0,0|1,0,2]=4 1011 B13R0.195 C=CCOC(=O)CC(=O)CCCCC 1458a_100000212188_100000033060 [0,1,0,0,0,0|1,0,1]=3 1012 B13R0.195 C=CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000033060 [0,1,0,0,0,0|2,0,1]=4 1013 B13R0.195 C=CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000033060 [0,1,0,0,0,0|2,0,1]=4 1014 B13R0.195 C=CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000033060 [0,1,0,0,0,0|2,0,1]=4 1015 B13R0.195 C=CCOC(=O)CC(=O)CCOCC 1458a_100000749530_100000033060 [0,1,0,0,0,0|2,0,1]=4 1016 B13R0.195 C=CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000033060 [0,1,0,0,0,0|2,0,1]=4 1017 B13R0.195 C=CCOC(=O)CC(=O)COCCC 1458a_100000745993_100000033060 [0,1,0,0,0,0|2,0,1]=4 1018 B13R0.195 C=CCOC(=O)CC(=O)CSCCC 1458a_100000217233_100000033060 [0,1,0,0,0,0|2,0,1]=4 1019 B13R0.195 CC/C=C/CC(=O)CC(=O)OCCC 1458a_100016274230_200011215008 [0,1,0,0,0,0|1,0,2]=4 1020 B13R0.195 CC=CCC(=O)CC(=O)CCCCC 1458a_100121576822_200012276598 [0,1,0,0,0,0|2,0,1]=4 1021 B13R0.195 CC=CCC(=O)CC(=O)NCCCC 1458a_100121576822_100000182744 [0,1,0,0,0,0|2,0,1]=4 1022 B13R0.195 CC=CCC(=O)CC(=O)OCCCC 1458a_100121576822_100000211628 [0,1,0,0,0,0|1,0,1]=3 1023 B13R0.195 CC=CCC(=O)CC(=O)OCCOC 1458a_100121576822_200000040189 [0,1,0,0,0,0|2,0,1]=4 1024 B13R0.195 CCC#CC(=O)CC(=O)CCCCC 1458a_100011827653_200012276598 [0,1,0,0,0,0|2,0,0]=3 1025 B13R0.195 CCC#CC(=O)CC(=O)NCCCC 1458a_100011827653_100000182744 [0,1,0,0,0,0|2,0,0]=3 1026 B13R0.195 CCC#CC(=O)CC(=O)NCCOC 1458a_100011827653_100000183275 [0,1,0,0,0,0|3,0,0]=4 1027 B13R0.195 CCC#CC(=O)CC(=O)OCCCC 1458a_100011827653_100000211628 [0,1,0,0,0,0|1,0,0]=2 1028 B13R0.195 CCC#CC(=O)CC(=O)OCCOC 1458a_100011827653_200000040189 [0,1,0,0,0,0|2,0,0]=3 1029 B13R0.195 CCC=CC(=O)CC(=O)CCCCC 1458a_100000212282_200012276598 [0,1,0,0,0,0|2,0,0]=3 1030 B13R0.195 CCC=CC(=O)CC(=O)NCCCC 1458a_100000212282_100000182744 [0,1,0,0,0,0|2,0,0]=3 1031 B13R0.195 CCC=CC(=O)CC(=O)NCCOC 1458a_100000212282_100000183275 [0,1,0,0,0,0|3,0,0]=4 1032 B13R0.195 CCC=CC(=O)CC(=O)OCCCC 1458a_100000212282_100000211628 [0,1,0,0,0,0|1,0,0]=2 1033 B13R0.195 CCC=CC(=O)CC(=O)OCCOC 1458a_100000212282_200000040189 [0,1,0,0,0,0|2,0,0]=3 1034 B13R0.195 CCCC#CC(=O)CC(=O)NCCC 1458a_200011218047_100000183358 [0,1,0,0,0,0|2,0,1]=4 1035 B13R0.195 CCCC#CC(=O)CC(=O)OCCC 1458a_200011218047_200011215008 [0,1,0,0,0,0|1,0,1]=3 1036 B13R0.195 CCCC=CC(=O)CC(=O)NCCC 1458a_100000212230_100000183358 [0,1,0,0,0,0|2,0,1]=4 1037 B13R0.195 CCCC=CC(=O)CC(=O)OCCC 1458a_100000212230_200011215008 [0,1,0,0,0,0|1,0,1]=3 1038 B13R0.195 CCCCC(=O)CC(=O)NCCOC 1458a_100000210183_100000183275 [0,1,0,0,0,0|3,0,0]=4 1039 B13R0.195 CCCCC(=O)CC(=O)OCCOC 1458a_100000210183_200000040189 [0,1,0,0,0,0|2,0,0]=3 1040 B13R0.195 CCCCCC(=O)CC(=O)C#CCO 1458a_100000049017_200012276598 [0,1,0,0,0,0|2,0,1]=4 1041 B13R0.195 CCCCCC(=O)CC(=O)C=COC 1458a_100016268678_200012276598 [0,1,0,0,0,0|2,0,1]=4 1042 B13R0.195 CCCCCC(=O)CC(=O)CCC#N 1458a_100011934036_200012276598 [0,1,0,0,0,0|2,0,1]=4 1043 B13R0.195 CCCCCC(=O)CC(=O)CCCC 1458a_100000210183_200012276598 [0,1,0,0,0,0|2,0,0]=3 1044 B13R0.195 CCCCCC(=O)CC(=O)CCOC 1458a_100000749529_200012276598 [0,1,0,0,0,0|2,0,0]=3 1045 B13R0.195 CCCCCC(=O)CC(=O)CCSC 1458a_100000174002_200012276598 [0,1,0,0,0,0|2,0,0]=3 1046 B13R0.195 CCCCCC(=O)CC(=O)COCC 1458a_100000211967_200012276598 [0,1,0,0,0,0|1,0,0]=2 1047 B13R0.195 CCCCCC(=O)CC(=O)CSCC 1458a_100000230394_200012276598 [0,1,0,0,0,0|1,1,0]=3 1048 B13R0.195 CCCCCC(=O)CC(=O)NCC#N 1458a_100000212188_100000736037 [0,1,0,0,0,0|2,0,1]=4 1049 B13R0.195 CCCCCC(=O)CC(=O)NCCC 1458a_100000212188_100000183358 [0,1,0,0,0,0|2,0,0]=3 1050 B13R0.195 CCCCCC(=O)CC(=O)OCCC 1458a_100000212188_200011215008 [0,1,0,0,0,0|1,0,0]=2 1051 B13R0.195 CCCCCN(C)CC(=O)OCCC 2230a_100000223495_200011215008 [0,1,0,0,0,0|3,0,0]=4 1052 B13R0.195 CCCCCN(C)CC(=O)OCCC 269982a_100000223495_200011215008 [0,1,0,0,0,0|3,0,0]=4 1053 B13R0.195 CCCCNC(=O)CC(=O)C#CCO 1458a_100000049017_100000182744 [0,1,0,0,0,0|2,0,1]=4 1054 B13R0.195 CCCCNC(=O)CC(=O)C=COC 1458a_100016268678_100000182744 [0,1,0,0,0,0|2,0,1]=4 1055 B13R0.195 CCCCNC(=O)CC(=O)CCC#N 1458a_100011934036_100000182744 [0,1,0,0,0,0|2,0,1]=4 1056 B13R0.195 CCCCNC(=O)CC(=O)CCCC 1458a_100000210183_100000182744 [0,1,0,0,0,0|2,0,0]=3 1057 B13R0.195 CCCCNC(=O)CC(=O)CCOC 1458a_100000749529_100000182744 [0,1,0,0,0,0|2,0,0]=3 1058 B13R0.195 CCCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000182744 [0,1,0,0,0,0|2,0,0]=3 1059 B13R0.195 CCCCNC(=O)CC(=O)COCC 1458a_100000211967_100000182744 [0,1,0,0,0,0|1,0,0]=2 1060 B13R0.195 CCCCNC(=O)CC(=O)CSCC 1458a_100000230394_100000182744 [0,1,0,0,0,0|1,1,0]=3 1061 B13R0.195 CCCCNC(=O)CN(C)COCC 269982a_200000213093_100000739092 [0,1,0,0,0,0|3,0,0]=4 1062 B13R0.195 CCCCNC(=O)NC(=O)CNCC 2230a_100015525214_100000209831 [0,1,0,0,0,0|3,0,0]=4 1063 B13R0.195 CCCCNC(=O)NC(=O)CSCC 62a_100000210202_100000209831 [0,1,0,0,0,0|2,1,0]=4 1064 B13R0.195 CCCCOC(=O)CC(=NNCC)C 4a_100000756455_200000022843 [0,1,0,0,0,0|2,0,0]=3 1065 B13R0.195 CCCCOC(=O)CC(=O)C#CCO 1458a_100000049017_100000211628 [0,1,0,0,0,0|1,0,1]=3 1066 B13R0.195 CCCCOC(=O)CC(=O)C=COC 1458a_100016268678_100000211628 [0,1,0,0,0,0|1,0,1]=3 1067 B13R0.195 CCCCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000211628 [0,1,0,0,0,0|1,0,1]=3 1068 B13R0.195 CCCCOC(=O)CC(=O)CCCC 1458a_100000210183_100000211628 [0,1,0,0,0,0|1,0,0]=2 1069 B13R0.195 CCCCOC(=O)CC(=O)CCOC 1458a_100000749529_100000211628 [0,1,0,0,0,0|1,0,0]=2 1070 B13R0.195 CCCCOC(=O)CC(=O)CCSC 1458a_100000174002_100000211628 [0,1,0,0,0,0|1,0,0]=2 1071 B13R0.195 CCCCOC(=O)CC(=O)COCC 1458a_100000211967_100000211628 [0,1,0,0,0,0|0,0,0]=1 1072 B13R0.195 CCCCOC(=O)CC(=O)CSCC 1458a_100000230394_100000211628 [0,1,0,0,0,0|0,1,0]=2 1073 B13R0.195 CCCCOC(=O)CN(C)CCCC 2230a_100000207549_100000211628 [0,1,0,0,0,0|3,0,0]=4 1074 B13R0.195 CCCCOC(=O)CN(C)CCCC 269982a_100000207549_100000211628 [0,1,0,0,0,0|3,0,0]=4 1075 B13R0.195 CCCCOC(=O)CN(C)CCCO 2230a_100000213112_100000211628 [0,1,0,0,0,0|3,0,0]=4 1076 B13R0.195 CCCCOC(=O)CN(C)CCCO 269982a_100000213112_100000211628 [0,1,0,0,0,0|3,0,0]=4 1077 B13R0.195 CCCCOC(=O)CN(C)CCOC 2230a_100000743101_100000211628 [0,1,0,0,0,0|3,0,0]=4 1078 B13R0.195 CCCCOC(=O)CN(C)CCOC 269982a_100000743101_100000211628 [0,1,0,0,0,0|3,0,0]=4 1079 B13R0.195 CCCCOC(=O)CN(C)CCSC 2230a_100000686725_100000211628 [0,1,0,0,0,0|3,0,0]=4 1080 B13R0.195 CCCCOC(=O)CN(C)CCSC 269982a_100000686725_100000211628 [0,1,0,0,0,0|3,0,0]=4 1081 B13R0.195 CCCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183358 [0,1,0,0,0,0|3,0,0]=4 1082 B13R0.195 CCCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183358 [0,1,0,0,0,0|3,0,0]=4 1083 B13R0.195 CCCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183358 [0,1,0,0,0,0|3,0,0]=4 1084 B13R0.195 CCCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000183358 [0,1,0,0,0,0|3,0,0]=4 1085 B13R0.195 CCCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000183358 [0,1,0,0,0,0|3,0,0]=4 1086 B13R0.195 CCCNC(=O)CC(=O)COCCC 1458a_100000745993_100000183358 [0,1,0,0,0,0|3,0,0]=4 1087 B13R0.195 CCCNC(=O)CC(=O)CSCCC 1458a_100000217233_100000183358 [0,1,0,0,0,0|3,0,0]=4 1088 B13R0.195 CCCNN=C(C)CC(=O)OCCC 4a_100000740057_200000037925 [0,1,0,0,0,0|3,0,0]=4 1089 B13R0.195 CCCOC(=O)CC(=O)C=CCOC 1458a_100016285016_200011215008 [0,1,0,0,0,0|2,0,1]=4 1090 B13R0.195 CCCOC(=O)CC(=O)C=COCC 1458a_100016266692_200011215008 [0,1,0,0,0,0|2,0,1]=4 1091 B13R0.195 CCCOC(=O)CC(=O)CCCC#N 1458a_100000075515_200011215008 [0,1,0,0,0,0|2,0,1]=4 1092 B13R0.195 CCCOC(=O)CC(=O)CCCCO 1458a_100000695505_200011215008 [0,1,0,0,0,0|2,0,0]=3 1093 B13R0.195 CCCOC(=O)CC(=O)CCCOC 1458a_100000741012_200011215008 [0,1,0,0,0,0|2,0,0]=3 1094 B13R0.195 CCCOC(=O)CC(=O)CCCSC 1458a_100000173376_200011215008 [0,1,0,0,0,0|2,0,0]=3 1095 B13R0.195 CCCOC(=O)CC(=O)CCOCC 1458a_100000749530_200011215008 [0,1,0,0,0,0|2,0,0]=3 1096 B13R0.195 CCCOC(=O)CC(=O)CCSCC 1458a_100000230768_200011215008 [0,1,0,0,0,0|2,0,0]=3 1097 B13R0.195 CCCOC(=O)CC(=O)COCCO 1458a_100000708028_200011215008 [0,1,0,0,0,0|3,0,0]=4 1098 B13R0.195 CCCOC(=O)CC(=O)CSCCC 1458a_100000217233_200011215008 [0,1,0,0,0,0|2,0,0]=3 1099 B13R0.195 CCCOCC(=O)CC(=O)OCCC 1458a_100000745993_200011215008 [0,1,0,0,0,0|2,0,0]=3 1100 B13R0.195 CCNN=C(C)CC(=O)OCCOC 4a_100000756455_100000210960 [0,1,0,0,0,0|3,0,0]=4 1101 B13R0.195 CCOCC(=O)CC(=O)NCCOC 1458a_100000211967_100000183275 [0,1,0,0,0,0|2,0,0]=3 1102 B13R0.195 CCOCC(=O)CC(=O)OCCOC 1458a_100000211967_200000040189 [0,1,0,0,0,0|1,0,0]=2 1103 B13R0.195 CCOCC(=O)NC(=O)NCCOC 34a_100121572206_100000184195 [0,1,0,0,0,0|3,0,0]=4 1104 B13R0.195 CCSCC(=O)CC(=O)NCCOC 1458a_100000230394_100000183275 [0,1,0,0,0,0|2,1,0]=4 1105 B13R0.195 CCSCC(=O)CC(=O)OCCOC 1458a_100000230394_200000040189 [0,1,0,0,0,0|1,1,0]=3 1106 B13R0.195 COC=CC(=O)CC(=O)OCCOC 1458a_100016268678_200000040189 [0,1,0,0,0,0|2,0,1]=4 1107 B13R0.195 COCCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183275 [0,1,0,0,0,0|3,0,0]=4 1108 B13R0.195 COCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183275 [0,1,0,0,0,0|3,0,0]=4 1109 B13R0.195 COCCOC(=O)CC(=O)C#CCO 1458a_100000049017_200000040189 [0,1,0,0,0,0|2,0,1]=4 1110 B13R0.195 COCCOC(=O)CC(=O)CCC#N 1458a_100011934036_200000040189 [0,1,0,0,0,0|2,0,1]=4 1111 B13R0.195 COCCOC(=O)CC(=O)CCOC 1458a_100000749529_200000040189 [0,1,0,0,0,0|2,0,0]=3 1112 B13R0.195 COCCOC(=O)CC(=O)CCSC 1458a_100000174002_200000040189 [0,1,0,0,0,0|2,0,0]=3 1113 B13R0.330 C#CCC(=O)CC(=O)OCCOCC 1458a_100011220946_200000101388 [0,1,0,0,0,0|1,0,2]=4 1114 B13R0.330 C#CCCCCC(=O)CC(=O)CCC 1458a_100000696528_100000747444 [0,1,0,0,0,0|2,0,1]=4 1115 B13R0.330 C#CCCCCC(=O)CC(=O)NCC 1458a_100000696528_100000183381 [0,1,0,0,0,0|2,0,1]=4 1116 B13R0.330 C#CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100010269958 [0,1,0,0,0,0|1,0,1]=3 1117 B13R0.330 C#CCCCCC(=O)CC(=O)OCC 1458a_100000696528_100000188475 [0,1,0,0,0,0|1,0,1]=3 1118 B13R0.330 C#CCCCNC(=O)CC(=O)OCC 240690a_100000718082_100000243816 [0,1,0,0,0,0|1,0,1]=3 1119 B13R0.330 C#CCCCOC(C)CC(=O)OCC 7a_100000215630_100009817359 [0,1,0,0,0,0|1,0,2]=4 1120 B13R0.330 C#CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215417 [0,1,0,0,0,0|1,0,2]=4 1121 B13R0.330 C#CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000688953 [0,1,0,0,0,0|0,1,2]=4 1122 B13R0.330 C#CCCSCC(=O)CC(=O)OCC 62a_100000688953_100000210311 [0,1,0,0,0,0|0,1,2]=4 1123 B13R0.330 C#CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100010402529 [0,1,0,0,0,0|1,0,2]=4 1124 B13R0.330 C#CCOCCC(=O)CC(=O)OCC 1458a_100000693358_100000188475 [0,1,0,0,0,0|1,0,2]=4 1125 B13R0.330 C/C=C/CSCC(=O)CC(=O)OCC 62a_100000210311_100102629194 [0,1,0,0,0,0|0,1,2]=4 1126 B13R0.330 C/C=C/CSCC(=O)CC(=O)OCC 62a_100102629194_100000210311 [0,1,0,0,0,0|0,1,2]=4 1127 B13R0.330 C=C(CCC)CC(=O)CCCCCC 1458a_100000138376_100000210757 [0,1,0,0,0,0|3,0,0]=4 1128 B13R0.330 C=C(CCC)CC(=O)CCCCCF 1458a_100000138376_100000729378 [0,1,0,0,0,0|3,0,0]=4 1129 B13R0.330 C=C(CCC)CC(=O)CCCCCO 1458a_100000138376_100000746330 [0,1,0,0,0,0|3,0,0]=4 1130 B13R0.330 C=C(CCC)CC(=O)CCCCOC 1458a_100000138376_100000755781 [0,1,0,0,0,0|3,0,0]=4 1131 B13R0.330 C=C(CCC)CC(=O)CCCOCC 1458a_100000138376_100012232248 [0,1,0,0,0,0|3,0,0]=4 1132 B13R0.330 C=C(CCC)CC(=O)CCOCCC 1458a_100000138376_100011215938 [0,1,0,0,0,0|3,0,0]=4 1133 B13R0.330 C=C(CCC)CC(=O)COCCCC 1458a_100000138376_100011995733 [0,1,0,0,0,0|2,0,0]=3 1134 B13R0.330 C=C(CCC)CC(=O)NCCCCC 11a_100000209983_100000138376 [0,1,0,0,0,0|3,0,0]=4 1135 B13R0.330 C=C(CCC)CC(=O)NCCCCC 240690a_100000209983_100000138376 [0,1,0,0,0,0|3,0,0]=4 1136 B13R0.330 C=C(CCC)CC(=O)NCCCCC 527a_100000209983_100000138376 [0,1,0,0,0,0|3,0,0]=4 1137 B13R0.330 C=C(CCC)CC(=O)NCCCCO 240690a_100000750430_100000138376 [0,1,0,0,0,0|3,0,0]=4 1138 B13R0.330 C=C(CCC)CC(=O)NCCCCO 527a_100000750430_100000138376 [0,1,0,0,0,0|3,0,0]=4 1139 B13R0.330 C=C(CCC)CC(=O)NCCCOC 240690a_100150723488_100000138376 [0,1,0,0,0,0|3,0,0]=4 1140 B13R0.330 C=C(CCC)CC(=O)NCCCOC 527a_100150723488_100000138376 [0,1,0,0,0,0|3,0,0]=4 1141 B13R0.330 C=C(CCC)CC(=O)NCCCSC 11a_100000749238_100000138376 [0,1,0,0,0,0|3,0,0]=4 1142 B13R0.330 C=C(CCC)CC(=O)NCCCSC 240690a_100000749238_100000138376 [0,1,0,0,0,0|3,0,0]=4 1143 B13R0.330 C=C(CCC)CC(=O)NCCCSC 527a_100000749238_100000138376 [0,1,0,0,0,0|3,0,0]=4 1144 B13R0.330 C=C(CCC)CC(=O)NCCOCC 11a_100011200944_100000138376 [0,1,0,0,0,0|3,0,0]=4 1145 B13R0.330 C=C(CCC)CC(=O)NCCOCC 240690a_100011200944_100000138376 [0,1,0,0,0,0|3,0,0]=4 1146 B13R0.330 C=C(CCC)CC(=O)NCCOCC 527a_100011200944_100000138376 [0,1,0,0,0,0|3,0,0]=4 1147 B13R0.330 C=C(CCC)CC(=O)NCCSCC 11a_100000106463_100000138376 [0,1,0,0,0,0|3,0,0]=4 1148 B13R0.330 C=C(CCC)CC(=O)NCCSCC 240690a_100000106463_100000138376 [0,1,0,0,0,0|3,0,0]=4 1149 B13R0.330 C=C(CCC)CC(=O)NCCSCC 527a_100000106463_100000138376 [0,1,0,0,0,0|3,0,0]=4 1150 B13R0.330 C=C(CCC)CC(=O)NNCCCC 22a_100025702795_100000138376 [0,1,0,0,0,0|3,0,0]=4 1151 B13R0.330 C=CCC(=O)CC(=O)OCCOCC 1458a_100000210193_200000101388 [0,1,0,0,0,0|1,0,2]=4 1152 B13R0.330 C=CCCCCC(=O)CC(=O)CCC 1458a_100011215552_100000747444 [0,1,0,0,0,0|2,0,1]=4 1153 B13R0.330 C=CCCCCC(=O)CC(=O)NCC 1458a_100011215552_100000183381 [0,1,0,0,0,0|2,0,1]=4 1154 B13R0.330 C=CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100011215482 [0,1,0,0,0,0|1,0,1]=3 1155 B13R0.330 C=CCCCCC(=O)CC(=O)OCC 1458a_100011215552_100000188475 [0,1,0,0,0,0|1,0,1]=3 1156 B13R0.330 C=CCCCNC(=O)CC(=O)OCC 240690a_100000700776_100000243816 [0,1,0,0,0,0|1,0,1]=3 1157 B13R0.330 C=CCCCOC(C)CC(=O)OCC 7a_100000758997_100009817359 [0,1,0,0,0,0|1,0,2]=4 1158 B13R0.330 C=CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000757094 [0,1,0,0,0,0|1,0,2]=4 1159 B13R0.330 C=CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000754431 [0,1,0,0,0,0|0,1,2]=4 1160 B13R0.330 C=CCCSCC(=O)CC(=O)OCC 62a_100000754431_100000210311 [0,1,0,0,0,0|0,1,2]=4 1161 B13R0.330 C=CCOCCC(=O)CC(=O)OCC 1458a_200011217002_100000188475 [0,1,0,0,0,0|1,0,2]=4 1162 B13R0.330 C=COC(=O)CC(=O)C=CCCCC 1458a_100016266645_100000036128 [0,1,0,0,0,0|1,0,2]=4 1163 B13R0.330 C=COC(=O)CC(=O)CCCCCC 1458a_100102632555_100000036128 [0,1,0,0,0,0|1,0,2]=4 1164 B13R0.330 C=COC(=O)CC(=O)CCCCCO 1458a_100102619762_100000036128 [0,1,0,0,0,0|1,0,2]=4 1165 B13R0.330 C=COC(=O)CC(=O)COCCCC 1458a_100000757543_100000036128 [0,1,0,0,0,0|0,0,2]=3 1166 B13R0.330 C=COC(=O)CC(=O)COCCOC 1458a_100000211095_100000036128 [0,1,0,0,0,0|1,0,2]=4 1167 B13R0.330 C=COC(=O)CC(=O)CSCCCC 1458a_100000191162_100000036128 [0,1,0,0,0,0|0,1,2]=4 1168 B13R0.330 CC#CC(=O)CC(=O)NCCCCC 1458a_100000763181_100000230301 [0,1,0,0,0,0|2,0,1]=4 1169 B13R0.330 CC#CC(=O)CC(=O)NCCCOC 1458a_100000763181_100000183178 [0,1,0,0,0,0|2,0,1]=4 1170 B13R0.330 CC#CC(=O)CC(=O)OCCOCC 1458a_100000763181_200000101388 [0,1,0,0,0,0|1,0,1]=3 1171 B13R0.330 CC#CCSCC(=O)CC(=O)OCC 62a_100000210311_100000748600 [0,1,0,0,0,0|0,1,2]=4 1172 B13R0.330 CC#CCSCC(=O)CC(=O)OCC 62a_100000748600_100000210311 [0,1,0,0,0,0|0,1,2]=4 1173 B13R0.330 CC/C=C\CCC(=O)CC(=O)OCC 1458a_100000243816_100015370543 [0,1,0,0,0,0|1,0,1]=3 1174 B13R0.330 CC/C=C\CO[C@H](C)CC(=O)OCC 7a_100009816390_100103147603 [0,1,0,0,0,0|1,0,2]=4 1175 B13R0.330 CC=CC(=O)CC(=O)NCCCCC 1458a_100000210699_100000230301 [0,1,0,0,0,0|2,0,1]=4 1176 B13R0.330 CC=CC(=O)CC(=O)NCCCOC 1458a_100000210699_100000183178 [0,1,0,0,0,0|2,0,1]=4 1177 B13R0.330 CC=CC(=O)CC(=O)OCCOCC 1458a_100000210699_200000101388 [0,1,0,0,0,0|1,0,1]=3 1178 B13R0.330 CC=CCSCC(=O)CC(=O)OCC 62a_100000070051_100000210311 [0,1,0,0,0,0|0,1,2]=4 1179 B13R0.330 CC=CCSCC(=O)CC(=O)OCC 62a_100000210311_100000070051 [0,1,0,0,0,0|0,1,2]=4 1180 B13R0.330 CCC#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100009813939 [0,1,0,0,0,0|1,0,2]=4 1181 B13R0.330 CCC/C=C/CC(=O)CC(=O)CCC 1458a_200016266809_100000747444 [0,1,0,0,0,0|2,0,1]=4 1182 B13R0.330 CCC/C=C/CC(=O)CC(=O)NCC 1458a_200016266809_100000183381 [0,1,0,0,0,0|2,0,1]=4 1183 B13R0.330 CCC/C=C/CC(=O)CC(=O)OCC 1458a_200016266809_100000188475 [0,1,0,0,0,0|1,0,1]=3 1184 B13R0.330 CCCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747444 [0,1,0,0,0,0|2,0,0]=3 1185 B13R0.330 CCCC(=O)CC(=O)CCOCCO 1458a_100011229844_100000747444 [0,1,0,0,0,0|3,0,0]=4 1186 B13R0.330 CCCC(=O)CC(=O)COCCOC 1458a_100000211095_100000747444 [0,1,0,0,0,0|2,0,0]=3 1187 B13R0.330 CCCC(=O)CC(=O)NCCCOC 1458a_100000211992_100000183178 [0,1,0,0,0,0|2,0,0]=3 1188 B13R0.330 CCCC(=O)CC(=O)OCCOCC 1458a_100000211992_200000101388 [0,1,0,0,0,0|1,0,0]=2 1189 B13R0.330 CCCCC=CC(=O)CC(=O)CCC 1458a_100016266645_100000747444 [0,1,0,0,0,0|2,0,0]=3 1190 B13R0.330 CCCCC=CC(=O)CC(=O)NCC 1458a_100016266645_100000183381 [0,1,0,0,0,0|2,0,0]=3 1191 B13R0.330 CCCCC=CC(=O)CC(=O)NCO 1458a_100016266645_100000185155 [0,1,0,0,0,0|3,0,0]=4 1192 B13R0.330 CCCCC=CC(=O)CC(=O)OCC 1458a_100016266645_100000188475 [0,1,0,0,0,0|1,0,0]=2 1193 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [0,1,0,0,0,0|2,0,0]=3 1194 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [0,1,0,0,0,0|2,0,0]=3 1195 B13R0.330 CCCCCCC(=O)CC(=O)NCO 1458a_100102632555_100000185155 [0,1,0,0,0,0|3,0,0]=4 1196 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [0,1,0,0,0,0|1,0,0]=2 1197 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [0,1,0,0,0,0|1,0,0]=2 1198 B13R0.330 CCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210757 [0,1,0,0,0,0|3,0,0]=4 1199 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [0,1,0,0,0,0|3,0,0]=4 1200 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [0,1,0,0,0,0|3,0,0]=4 1201 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [0,1,0,0,0,0|3,0,0]=4 1202 B13R0.330 CCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230301 [0,1,0,0,0,0|2,0,0]=3 1203 B13R0.330 CCCCCNC(=O)CC(=O)CCO 1458a_100011216618_100000230301 [0,1,0,0,0,0|3,0,0]=4 1204 B13R0.330 CCCCCNC(=O)CC(=O)COC 1458a_100000210968_100000230301 [0,1,0,0,0,0|3,0,0]=4 1205 B13R0.330 CCCCCNC(=O)CC(=O)CSC 1458a_100000184570_100000230301 [0,1,0,0,0,0|3,0,0]=4 1206 B13R0.330 CCCCCNC(=O)CC(=O)OCC 240690a_100000209983_100000243816 [0,1,0,0,0,0|1,0,0]=2 1207 B13R0.330 CCCCCNC(=O)CS(=O)CCC 11a_100000209983_100011387404 [0,1,0,0,0,0|3,0,0]=4 1208 B13R0.330 CCCCCNC(=O)CS(=O)CCC 1626a_100000209983_100011387404 [0,1,0,0,0,0|3,0,0]=4 1209 B13R0.330 CCCCCNC(=O)CS(=O)CCC 240690a_100000209983_100011387404 [0,1,0,0,0,0|3,0,0]=4 1210 B13R0.330 CCCCCNC(=O)CS(=O)CCC 527a_100000209983_100011387404 [0,1,0,0,0,0|3,0,0]=4 1211 B13R0.330 CCCCCNC(C)CC(=O)OCC 2230a_100000209983_100009817359 [0,1,0,0,0,0|2,0,1]=4 1212 B13R0.330 CCCCCOC(C)CC(=O)OCC 7a_100000210253_100009817359 [0,1,0,0,0,0|1,0,1]=3 1213 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210326 [0,1,0,0,0,0|1,0,1]=3 1214 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100000210326_100009817359 [0,1,0,0,0,0|1,1,1]=4 1215 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210326 [0,1,0,0,0,0|1,1,1]=4 1216 B13R0.330 CCCCNCC(=CC(=O)OCC)C 2230a_100000102301_100135422193 [0,1,0,0,0,0|2,0,1]=4 1217 B13R0.330 CCCCNCC(=CC(=O)OCC)C 7a_106832991798_100135422193 [0,1,0,0,0,0|2,0,1]=4 1218 B13R0.330 CCCCNCC(=O)NC(=O)NCC 2230a_100000102301_100000183762 [0,1,0,0,0,0|3,0,0]=4 1219 B13R0.330 CCCCNCC(=O)NC(=O)NCC 7a_106832991798_100000183762 [0,1,0,0,0,0|3,0,0]=4 1220 B13R0.330 CCCCNCC(=O)NC(=O)OCC 7a_106832991798_100000010344 [0,1,0,0,0,0|2,0,0]=3 1221 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 7a_106832991798_100000688340 [0,1,0,0,0,0|1,0,2]=4 1222 B13R0.330 CCCCNNC(=O)CC(=O)OCC 22a_100025702795_100000243816 [0,1,0,0,0,0|1,0,0]=2 1223 B13R0.330 CCCCNNC(=O)CS(=O)CCC 22a_100025702795_100011387404 [0,1,0,0,0,0|3,0,0]=4 1224 B13R0.330 CCCCOCC(=CC(=O)OCC)C 34a_100000210227_100135422193 [0,1,0,0,0,0|1,0,1]=3 1225 B13R0.330 CCCCOCC(=CC(=O)OCC)C 7a_100000210227_100135422193 [0,1,0,0,0,0|1,0,1]=3 1226 B13R0.330 CCCCOCC(=O)C=C(C)CCC 1458a_100020676950_100011995733 [0,1,0,0,0,0|2,0,1]=4 1227 B13R0.330 CCCCOCC(=O)CC(=O)CCC 1458a_100000757543_100000747444 [0,1,0,0,0,0|1,0,0]=2 1228 B13R0.330 CCCCOCC(=O)CC(=O)NCC 1458a_100000757543_100000183381 [0,1,0,0,0,0|1,0,0]=2 1229 B13R0.330 CCCCOCC(=O)CC(=O)NCO 1458a_100000757543_100000185155 [0,1,0,0,0,0|2,0,0]=3 1230 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [0,1,0,0,0,0|0,0,0]=1 1231 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [0,1,0,0,0,0|0,0,0]=1 1232 B13R0.330 CCCCOCC(=O)CC(C)CCC 1458a_100000748435_100011995733 [0,1,0,0,0,0|2,0,1]=4 1233 B13R0.330 CCCCOCC(=O)CC(C)CCC 1458a_100000757543_100011216630 [0,1,0,0,0,0|2,0,1]=4 1234 B13R0.330 CCCCOCC(=O)CC(C)SCC 1458a_200011311441_100011995733 [0,1,0,0,0,0|1,1,1]=4 1235 B13R0.330 CCCCOCC(=O)CS(=O)CCC 1458a_100011387404_100011995733 [0,1,0,0,0,0|2,0,0]=3 1236 B13R0.330 CCCCOCC(=O)NC(=O)NCC 7a_100000210227_100000183762 [0,1,0,0,0,0|2,0,0]=3 1237 B13R0.330 CCCCOCC(=O)NC(=O)OCC 7a_100000210227_100000010344 [0,1,0,0,0,0|1,0,0]=2 1238 B13R0.330 CCCCOCN(C)CC(=O)NCC 2230a_100000741943_100011995733 [0,1,0,0,0,0|3,0,0]=4 1239 B13R0.330 CCCCOCN(C)CC(=O)NCC 269982a_100000741943_100011995733 [0,1,0,0,0,0|3,0,0]=4 1240 B13R0.330 CCCCOCN(C)CC(=O)OCC 2230a_100000220588_100011995733 [0,1,0,0,0,0|2,0,0]=3 1241 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 34a_100000210227_100000688340 [0,1,0,0,0,0|0,0,2]=3 1242 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 7a_100000210227_100000688340 [0,1,0,0,0,0|0,0,2]=3 1243 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100000210211_100135422193 [0,1,0,0,0,0|1,1,1]=4 1244 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210210 [0,1,0,0,0,0|1,1,1]=4 1245 B13R0.330 CCCCSCC(=O)CC(=O)CCC 1458a_100000191162_100000747444 [0,1,0,0,0,0|1,1,0]=3 1246 B13R0.330 CCCCSCC(=O)CC(=O)NCC 1458a_100000191162_100000183381 [0,1,0,0,0,0|1,1,0]=3 1247 B13R0.330 CCCCSCC(=O)CC(=O)NCO 1458a_100000191162_100000185155 [0,1,0,0,0,0|2,1,0]=4 1248 B13R0.330 CCCCSCC(=O)CC(=O)OCC 1458a_100000191162_100000188475 [0,1,0,0,0,0|0,1,0]=2 1249 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210211_100000210311 [0,1,0,0,0,0|0,1,0]=2 1250 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210210 [0,1,0,0,0,0|0,1,0]=2 1251 B13R0.330 CCCCSCC(=O)NC(=O)NCC 62a_100000210211_100000183762 [0,1,0,0,0,0|2,1,0]=4 1252 B13R0.330 CCCCSCC(=O)NC(=O)OCC 62a_100000210211_100000010344 [0,1,0,0,0,0|1,1,0]=3 1253 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000210211_100000688340 [0,1,0,0,0,0|0,1,2]=4 1254 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210210 [0,1,0,0,0,0|0,1,2]=4 1255 B13R0.330 CCCN(C)CC(=O)OCCOCC 2230a_100000747261_200000101388 [0,1,0,0,0,0|3,0,0]=4 1256 B13R0.330 CCCN(C)CC(=O)OCCOCC 269982a_100000747261_200000101388 [0,1,0,0,0,0|3,0,0]=4 1257 B13R0.330 CCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215938 [0,1,0,0,0,0|1,0,0]=2 1258 B13R0.330 CCCOCCC(=O)CS(=O)CCC 1458a_100011387404_100011215938 [0,1,0,0,0,0|3,0,0]=4 1259 B13R0.330 CCCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215938 [0,1,0,0,0,0|3,0,0]=4 1260 B13R0.330 CCCS(=O)CC(=O)CCCCCF 1458a_100011387404_100000729378 [0,1,0,0,0,0|3,0,0]=4 1261 B13R0.330 CCCS(=O)CC(=O)CCCCCO 1458a_100011387404_100000746330 [0,1,0,0,0,0|3,0,0]=4 1262 B13R0.330 CCCS(=O)CC(=O)CCCCOC 1458a_100011387404_100000755781 [0,1,0,0,0,0|3,0,0]=4 1263 B13R0.330 CCCS(=O)CC(=O)CCCOCC 1458a_100011387404_100012232248 [0,1,0,0,0,0|3,0,0]=4 1264 B13R0.330 CCCS(=O)CC(=O)NCCCCO 240690a_100000750430_100011387404 [0,1,0,0,0,0|3,0,0]=4 1265 B13R0.330 CCCS(=O)CC(=O)NCCCCO 527a_100000750430_100011387404 [0,1,0,0,0,0|3,0,0]=4 1266 B13R0.330 CCCS(=O)CC(=O)NCCCOC 1626a_100150723488_100011387404 [0,1,0,0,0,0|3,0,0]=4 1267 B13R0.330 CCCS(=O)CC(=O)NCCCOC 240690a_100150723488_100011387404 [0,1,0,0,0,0|3,0,0]=4 1268 B13R0.330 CCCS(=O)CC(=O)NCCCOC 527a_100150723488_100011387404 [0,1,0,0,0,0|3,0,0]=4 1269 B13R0.330 CCCS(=O)CC(=O)NCCCSC 11a_100000749238_100011387404 [0,1,0,0,0,0|3,0,0]=4 1270 B13R0.330 CCCS(=O)CC(=O)NCCCSC 1626a_100000749238_100011387404 [0,1,0,0,0,0|3,0,0]=4 1271 B13R0.330 CCCS(=O)CC(=O)NCCCSC 240690a_100000749238_100011387404 [0,1,0,0,0,0|3,0,0]=4 1272 B13R0.330 CCCS(=O)CC(=O)NCCCSC 527a_100000749238_100011387404 [0,1,0,0,0,0|3,0,0]=4 1273 B13R0.330 CCCS(=O)CC(=O)NCCOCC 11a_100011200944_100011387404 [0,1,0,0,0,0|3,0,0]=4 1274 B13R0.330 CCCS(=O)CC(=O)NCCOCC 1626a_102516460346_100011387404 [0,1,0,0,0,0|3,0,0]=4 1275 B13R0.330 CCCS(=O)CC(=O)NCCOCC 240690a_100011200944_100011387404 [0,1,0,0,0,0|3,0,0]=4 1276 B13R0.330 CCCS(=O)CC(=O)NCCOCC 527a_100011200944_100011387404 [0,1,0,0,0,0|3,0,0]=4 1277 B13R0.330 CCCS(=O)CC(=O)NCCSCC 11a_100000106463_100011387404 [0,1,0,0,0,0|3,0,0]=4 1278 B13R0.330 CCCS(=O)CC(=O)NCCSCC 1626a_100000106463_100011387404 [0,1,0,0,0,0|3,0,0]=4 1279 B13R0.330 CCCS(=O)CC(=O)NCCSCC 240690a_100000106463_100011387404 [0,1,0,0,0,0|3,0,0]=4 1280 B13R0.330 CCCS(=O)CC(=O)NCCSCC 527a_100000106463_100011387404 [0,1,0,0,0,0|3,0,0]=4 1281 B13R0.330 CCNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183381 [0,1,0,0,0,0|2,0,0]=3 1282 B13R0.330 CCNC(=O)CC(=O)CCOCCO 1458a_100011229844_100000183381 [0,1,0,0,0,0|3,0,0]=4 1283 B13R0.330 CCNC(=O)CC(=O)COCCOC 1458a_100000211095_100000183381 [0,1,0,0,0,0|2,0,0]=3 1284 B13R0.330 CCNC(=O)NC(=O)COCCSC 7a_100000230434_100000183762 [0,1,0,0,0,0|3,0,0]=4 1285 B13R0.330 CCOC(=O)C=C(C)COCCCBr 34a_100011217188_100135422193 [0,1,0,0,0,0|2,0,1]=4 1286 B13R0.330 CCOC(=O)C=C(C)COCCCCl 34a_100000230001_100135422193 [0,1,0,0,0,0|2,0,1]=4 1287 B13R0.330 CCOC(=O)C=C(C)COCCCF 34a_100000759539_100135422193 [0,1,0,0,0,0|2,0,1]=4 1288 B13R0.330 CCOC(=O)C=C(C)COCCCN 34a_100000182051_100135422193 [0,1,0,0,0,0|2,0,1]=4 1289 B13R0.330 CCOC(=O)C=C(C)COCCOC 34a_100000210237_100135422193 [0,1,0,0,0,0|2,0,1]=4 1290 B13R0.330 CCOC(=O)C=C(C)COCCSC 34a_100000230434_100135422193 [0,1,0,0,0,0|2,0,1]=4 1291 B13R0.330 CCOC(=O)C=C(C)COCCSC 7a_100000230434_100135422193 [0,1,0,0,0,0|2,0,1]=4 1292 B13R0.330 CCOC(=O)CC(=O)CCCCC#N 1458a_100000243816_100000211819 [0,1,0,0,0,0|1,0,1]=3 1293 B13R0.330 CCOC(=O)CC(=O)CCCCCF 1458a_100000243816_100000729378 [0,1,0,0,0,0|1,0,0]=2 1294 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100000243816_100000746330 [0,1,0,0,0,0|1,0,0]=2 1295 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000188475 [0,1,0,0,0,0|1,0,0]=2 1296 B13R0.330 CCOC(=O)CC(=O)CCCCOC 1458a_100000243816_100000755781 [0,1,0,0,0,0|1,0,0]=2 1297 B13R0.330 CCOC(=O)CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000188475 [0,1,0,0,0,0|3,0,0]=4 1298 B13R0.330 CCOC(=O)CC(=O)CCOCC#N 1458a_100000243816_200000047693 [0,1,0,0,0,0|2,0,1]=4 1299 B13R0.330 CCOC(=O)CC(=O)CCOCCO 1458a_100000243816_100011215305 [0,1,0,0,0,0|2,0,0]=3 1300 B13R0.330 CCOC(=O)CC(=O)CCOCCO 1458a_100011229844_100000188475 [0,1,0,0,0,0|2,0,0]=3 1301 B13R0.330 CCOC(=O)CC(=O)COCCOC 1458a_100000211095_100000188475 [0,1,0,0,0,0|1,0,0]=2 1302 B13R0.330 CCOC(=O)CC(=O)CSCCC#N 62a_100000210311_100011215226 [0,1,0,0,0,0|1,1,1]=4 1303 B13R0.330 CCOC(=O)CC(=O)CSCCC#N 62a_100011215226_100000210311 [0,1,0,0,0,0|1,1,1]=4 1304 B13R0.330 CCOC(=O)CC(=O)CSCCCF 62a_100000210311_100011934791 [0,1,0,0,0,0|1,1,0]=3 1305 B13R0.330 CCOC(=O)CC(=O)CSCCCF 62a_100011934791_100000210311 [0,1,0,0,0,0|1,1,0]=3 1306 B13R0.330 CCOC(=O)CC(=O)CSCCCO 62a_100000210311_100011215043 [0,1,0,0,0,0|1,1,0]=3 1307 B13R0.330 CCOC(=O)CC(=O)CSCCCO 62a_100011215043_100000210311 [0,1,0,0,0,0|1,1,0]=3 1308 B13R0.330 CCOC(=O)CC(=O)CSCCOC 62a_100000210311_100000233755 [0,1,0,0,0,0|1,1,0]=3 1309 B13R0.330 CCOC(=O)CC(=O)CSCCOC 62a_100000233755_100000210311 [0,1,0,0,0,0|1,1,0]=3 1310 B13R0.330 CCOC(=O)CC(=O)CSCCSC 62a_100000210311_100000751147 [0,1,0,0,0,0|1,1,0]=3 1311 B13R0.330 CCOC(=O)CC(=O)CSCCSC 62a_100000212216_100000210311 [0,1,0,0,0,0|1,1,0]=3 1312 B13R0.330 CCOC(=O)CC(=O)NCCCCO 240690a_100000750430_100000243816 [0,1,0,0,0,0|1,0,0]=2 1313 B13R0.330 CCOC(=O)CC(=O)NCCCOC 240690a_100150723488_100000243816 [0,1,0,0,0,0|1,0,0]=2 1314 B13R0.330 CCOC(=O)CC(=O)NCCCSC 240690a_100000749238_100000243816 [0,1,0,0,0,0|1,0,0]=2 1315 B13R0.330 CCOC(=O)CC(=O)NCCSCC 240690a_100000106463_100000243816 [0,1,0,0,0,0|1,0,0]=2 1316 B13R0.330 CCOC(=O)CC(=O)NNCCC#N 22a_100000229987_100000243816 [0,1,0,0,0,0|2,0,1]=4 1317 B13R0.330 CCOC(=O)CC(=O)NNCCOC 22a_100000741390_100000243816 [0,1,0,0,0,0|2,0,0]=3 1318 B13R0.330 CCOC(=O)CC(C)NCCCCO 2230a_100000750430_100009817359 [0,1,0,0,0,0|2,0,1]=4 1319 B13R0.330 CCOC(=O)CC(C)NCCCSC 2230a_100000749238_100009817359 [0,1,0,0,0,0|2,0,1]=4 1320 B13R0.330 CCOC(=O)CC(C)NCCSCC 2230a_100000106463_100009817359 [0,1,0,0,0,0|2,0,1]=4 1321 B13R0.330 CCOC(=O)CC(C)OCCCCCl 7a_100000210776_100009817359 [0,1,0,0,0,0|1,0,1]=3 1322 B13R0.330 CCOC(=O)CC(C)OCCCCF 7a_100011995726_100009817359 [0,1,0,0,0,0|1,0,1]=3 1323 B13R0.330 CCOC(=O)CC(C)OCCCSC 7a_100000690336_100009817359 [0,1,0,0,0,0|1,0,1]=3 1324 B13R0.330 CCOC(=O)CC(C)OCCSCC 7a_100000212035_100009817359 [0,1,0,0,0,0|1,0,1]=3 1325 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100000729493_100009817359 [0,1,0,0,0,0|1,1,1]=4 1326 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100009817359_100000729493 [0,1,0,0,0,0|1,1,1]=4 1327 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100000210776_100009817359 [0,1,0,0,0,0|1,1,1]=4 1328 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100009817359_100000210776 [0,1,0,0,0,0|1,1,1]=4 1329 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100000709357_100009817359 [0,1,0,0,0,0|1,1,1]=4 1330 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100009817359_100000709357 [0,1,0,0,0,0|1,1,1]=4 1331 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100000757381_100009817359 [0,1,0,0,0,0|1,1,1]=4 1332 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100009817359_100000757381 [0,1,0,0,0,0|1,1,1]=4 1333 B13R0.330 CCOC(=O)CN(C)CCCCCF 2230a_100000220588_100000729378 [0,1,0,0,0,0|3,0,0]=4 1334 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000220588_100000746330 [0,1,0,0,0,0|3,0,0]=4 1335 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000722520_100000188475 [0,1,0,0,0,0|3,0,0]=4 1336 B13R0.330 CCOC(=O)CN(C)CCCCCO 269982a_100000722520_100000188475 [0,1,0,0,0,0|3,0,0]=4 1337 B13R0.330 CCOC(=O)CN(C)CCCCOC 2230a_100000220588_100000730899 [0,1,0,0,0,0|3,0,0]=4 1338 B13R0.330 CCOC(=O)CN(C)COCCOC 2230a_100000220588_100000231047 [0,1,0,0,0,0|3,0,0]=4 1339 B13R0.330 CCOC(=O)C[C@@H](C)OCCCC#N 7a_100009816390_100000687738 [0,1,0,0,0,0|1,0,2]=4 1340 B13R0.330 CCOC(=O)C[C@@H](C)OCCCC=O 7a_100009816390_200011292268 [0,1,0,0,0,0|1,0,2]=4 1341 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCF 7a_100009816390_100000729493 [0,1,0,0,0,0|1,0,1]=3 1342 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCO 7a_100009816390_100000210776 [0,1,0,0,0,0|1,0,1]=3 1343 B13R0.330 CCOC(=O)C[C@@H](C)OCCCOC 7a_100009816390_100000740836 [0,1,0,0,0,0|1,0,1]=3 1344 B13R0.330 CCOC(=O)C[C@@H](C)OCCSCC 7a_100009816390_100000757381 [0,1,0,0,0,0|1,0,1]=3 1345 B13R0.330 CCOC(=O)C[C@H](O)COCCCBr 34a_100011217188_100000688340 [0,1,0,0,0,0|1,0,2]=4 1346 B13R0.330 CCOC(=O)C[C@H](O)COCCCCl 34a_100000230001_100000688340 [0,1,0,0,0,0|1,0,2]=4 1347 B13R0.330 CCOC(=O)C[C@H](O)COCCCF 34a_100000759539_100000688340 [0,1,0,0,0,0|1,0,2]=4 1348 B13R0.330 CCOC(=O)C[C@H](O)COCCCN 34a_100000182051_100000688340 [0,1,0,0,0,0|1,0,2]=4 1349 B13R0.330 CCOC(=O)C[C@H](O)COCCOC 34a_100000210237_100000688340 [0,1,0,0,0,0|1,0,2]=4 1350 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 34a_100000230434_100000688340 [0,1,0,0,0,0|1,0,2]=4 1351 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 7a_100000230434_100000688340 [0,1,0,0,0,0|1,0,2]=4 1352 B13R0.330 CCOC(=O)NC(=O)COCCSC 7a_100000230434_100000010344 [0,1,0,0,0,0|2,0,0]=3 1353 B13R0.330 CCOC(=O)NC(=O)CSCCCF 62a_100011934791_100000010344 [0,1,0,0,0,0|2,1,0]=4 1354 B13R0.330 CCOC(=O)NC(=O)CSCCCO 62a_100011215043_100000010344 [0,1,0,0,0,0|2,1,0]=4 1355 B13R0.330 CCOC(=O)NC(=O)CSCCOC 62a_100000233755_100000010344 [0,1,0,0,0,0|2,1,0]=4 1356 B13R0.330 CCOC(=O)NC(=O)CSCCSC 62a_100000212216_100000010344 [0,1,0,0,0,0|2,1,0]=4 1357 B13R0.330 CCOCCCC(=O)CC(=O)OCC 1458a_100000243816_100012232248 [0,1,0,0,0,0|1,0,0]=2 1358 B13R0.330 CCOCCCN(C)CC(=O)OCC 2230a_100000220588_100012232248 [0,1,0,0,0,0|3,0,0]=4 1359 B13R0.330 CCOCCNC(=O)CC(=O)OCC 240690a_100011200944_100000243816 [0,1,0,0,0,0|1,0,0]=2 1360 B13R0.330 CCOCCNC(C)CC(=O)OCC 2230a_102516460346_100009817359 [0,1,0,0,0,0|2,0,1]=4 1361 B13R0.330 CCOCCOC(=O)CC(=O)C=CBr 1458a_100016273825_200000101388 [0,1,0,0,0,0|2,0,1]=4 1362 B13R0.330 CCOCCOC(=O)CC(=O)C=CCl 1458a_200016279998_200000101388 [0,1,0,0,0,0|2,0,1]=4 1363 B13R0.330 CCOCCOC(=O)CC(=O)C=CI 1458a_100016256311_200000101388 [0,1,0,0,0,0|2,0,1]=4 1364 B13R0.330 CCOCCOC(=O)CC(=O)CC#N 1458a_100051588842_200000101388 [0,1,0,0,0,0|2,0,1]=4 1365 B13R0.330 CCOCCOC(=O)CC(=O)CCO 1458a_100011216618_200000101388 [0,1,0,0,0,0|2,0,0]=3 1366 B13R0.330 CCOCCOC(=O)CC(=O)COC 1458a_100000210968_200000101388 [0,1,0,0,0,0|2,0,0]=3 1367 B13R0.330 CCOCCOC(=O)CC(=O)CSC 1458a_100000184570_200000101388 [0,1,0,0,0,0|2,0,0]=3 1368 B13R0.330 CCOCCOC(C)CC(=O)OCC 7a_100000210136_100009817359 [0,1,0,0,0,0|1,0,1]=3 1369 B13R0.330 CCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215890 [0,1,0,0,0,0|1,0,1]=3 1370 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100000210147_100009817359 [0,1,0,0,0,0|1,1,1]=4 1371 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100009817359_100011215890 [0,1,0,0,0,0|1,1,1]=4 1372 B13R0.330 CCOCSCC(=O)CC(=O)OCC 62a_100000210311_100000739092 [0,1,0,0,0,0|1,1,0]=3 1373 B13R0.330 CCOCSCC(=O)CC(=O)OCC 62a_100000739092_100000210311 [0,1,0,0,0,0|1,1,0]=3 1374 B13R0.330 CCOCSCC(=O)NC(=O)OCC 62a_100000739092_100000010344 [0,1,0,0,0,0|2,1,0]=4 1375 B13R0.330 COCCCNC(=O)CC(=O)CCO 1458a_100011216618_100000183178 [0,1,0,0,0,0|3,0,0]=4 1376 B13R0.330 COCCCNC(=O)CC(=O)COC 1458a_100000210968_100000183178 [0,1,0,0,0,0|3,0,0]=4 1377 B13R0.330 COCCCNC(=O)CC(=O)CSC 1458a_100000184570_100000183178 [0,1,0,0,0,0|3,0,0]=4 1378 B13R0.330 COCCOCC(=O)CC(=O)NCO 1458a_100000211095_100000185155 [0,1,0,0,0,0|3,0,0]=4 1379 B13R0.330 O=C(CCCCCO)CC(=O)NCO 1458a_100102619762_100000185155 [0,1,0,0,0,0|3,0,0]=4 1380 B13R0.331 C=C(C)CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000730704 [0,1,0,0,0,0|1,0,2]=4 1381 B13R0.331 C=C(C)CNNC(=O)CC(=O)OCC 22a_100000729518_100000243816 [0,1,0,0,0,0|2,0,1]=4 1382 B13R0.331 C=C(C)CSCC(=O)CC(=O)OCC 62a_100000210311_100000211660 [0,1,0,0,0,0|2,0,1]=4 1383 B13R0.331 C=C(C)CSCC(=O)CC(=O)OCC 62a_100000748629_100000210311 [0,1,0,0,0,0|2,0,1]=4 1384 B13R0.331 C=C(CCC)CC(=O)CCCC(C)C 1458a_100000138376_100011214892 [0,1,0,0,0,0|3,0,0]=4 1385 B13R0.331 C=C(CCC)CC(=O)CCCC(C)O 1458a_100000138376_200000718107 [0,1,0,0,0,0|3,0,0]=4 1386 B13R0.331 C=C(CCC)CC(=O)NCCC(C)C 11a_100000210545_100000138376 [0,1,0,0,0,0|3,0,0]=4 1387 B13R0.331 C=C(CCC)CC(=O)NCCC(C)C 240690a_100000210545_100000138376 [0,1,0,0,0,0|3,0,0]=4 1388 B13R0.331 C=C(CCC)CC(=O)NCCC(C)C 527a_100000210545_100000138376 [0,1,0,0,0,0|3,0,0]=4 1389 B13R0.331 C=C(CCC)CC(=O)NCCC(C)O 240690a_200000755665_100000138376 [0,1,0,0,0,0|3,0,0]=4 1390 B13R0.331 C=C(CCC)CC(=O)NCCC(C)O 527a_200000755665_100000138376 [0,1,0,0,0,0|3,0,0]=4 1391 B13R0.331 C=COC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000036128 [0,1,0,0,0,0|1,0,2]=4 1392 B13R0.331 CC(C)CCCC(=O)CC(=O)NCO 1458a_100011216857_100000185155 [0,1,0,0,0,0|3,0,0]=4 1393 B13R0.331 CCCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747444 [0,1,0,0,0,0|2,0,0]=3 1394 B13R0.331 CCCC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747444 [0,1,0,0,0,0|3,0,0]=4 1395 B13R0.331 CCCS(=O)CC(=O)CCCC(C)C 1458a_100011387404_100011214892 [0,1,0,0,0,0|3,0,0]=4 1396 B13R0.331 CCCS(=O)CC(=O)CCCC(C)O 1458a_100011387404_200000718107 [0,1,0,0,0,0|3,0,0]=4 1397 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 11a_100000210545_100011387404 [0,1,0,0,0,0|3,0,0]=4 1398 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 1626a_100000210545_100011387404 [0,1,0,0,0,0|3,0,0]=4 1399 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 240690a_100000210545_100011387404 [0,1,0,0,0,0|3,0,0]=4 1400 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 527a_100000210545_100011387404 [0,1,0,0,0,0|3,0,0]=4 1401 B13R0.331 CCCS(=O)CC(=O)NCCC(C)O 240690a_200000755665_100011387404 [0,1,0,0,0,0|3,0,0]=4 1402 B13R0.331 CCCS(=O)CC(=O)NCCC(C)O 527a_200000755665_100011387404 [0,1,0,0,0,0|3,0,0]=4 1403 B13R0.331 CCNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183381 [0,1,0,0,0,0|2,0,0]=3 1404 B13R0.331 CCNC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000183381 [0,1,0,0,0,0|3,0,0]=4 1405 B13R0.331 CCOC(=O)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000188475 [0,1,0,0,0,0|1,0,2]=4 1406 B13R0.331 CCOC(=O)CC(=O)C=CCN(C)C 1458a_100000754359_100000188475 [0,1,0,0,0,0|2,0,1]=4 1407 B13R0.331 CCOC(=O)CC(=O)CCC=C(C)C 1458a_100000243816_100011217483 [0,1,0,0,0,0|1,0,2]=4 1408 B13R0.331 CCOC(=O)CC(=O)CCCC(=O)C 1458a_100000243816_100011215641 [0,1,0,0,0,0|1,0,1]=3 1409 B13R0.331 CCOC(=O)CC(=O)CCCC(=O)N 1458a_100000243816_100102525003 [0,1,0,0,0,0|2,0,1]=4 1410 B13R0.331 CCOC(=O)CC(=O)CCCC(C)C 1458a_100000243816_100011214892 [0,1,0,0,0,0|1,0,0]=2 1411 B13R0.331 CCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000188475 [0,1,0,0,0,0|1,0,0]=2 1412 B13R0.331 CCOC(=O)CC(=O)CCCC(C)O 1458a_100000243816_200000718107 [0,1,0,0,0,0|1,0,0]=2 1413 B13R0.331 CCOC(=O)CC(=O)CCCN(C)C 1458a_100000243816_100000695564 [0,1,0,0,0,0|2,0,0]=3 1414 B13R0.331 CCOC(=O)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000188475 [0,1,0,0,0,0|3,0,0]=4 1415 B13R0.331 CCOC(=O)CC(=O)CCNC(=O)C 1458a_100000183196_100000188475 [0,1,0,0,0,0|2,0,1]=4 1416 B13R0.331 CCOC(=O)CC(=O)CCNC(=O)C 1458a_100000243816_100000189650 [0,1,0,0,0,0|2,0,1]=4 1417 B13R0.331 CCOC(=O)CC(=O)CCOC(=O)C 1458a_100000243816_100009814007 [0,1,0,0,0,0|2,0,1]=4 1418 B13R0.331 CCOC(=O)CC(=O)CCOC(C)C 1458a_100000243816_100000211751 [0,1,0,0,0,0|2,0,0]=3 1419 B13R0.331 CCOC(=O)CC(=O)CCSC(=O)C 1458a_100000048949_100000188475 [0,1,0,0,0,0|2,0,1]=4 1420 B13R0.331 CCOC(=O)CC(=O)CCSC(C)C 1458a_100000243816_100000730970 [0,1,0,0,0,0|2,0,0]=3 1421 B13R0.331 CCOC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000188475 [0,1,0,0,0,0|2,0,0]=3 1422 B13R0.331 CCOC(=O)CC(=O)CSCC(C)C 62a_100000210311_100000210760 [0,1,0,0,0,0|2,0,0]=3 1423 B13R0.331 CCOC(=O)CC(=O)CSCC(C)C 62a_100000210624_100000210311 [0,1,0,0,0,0|2,0,0]=3 1424 B13R0.331 CCOC(=O)CC(=O)CSCC(C)O 62a_100000210311_100011218427 [0,1,0,0,0,0|2,0,0]=3 1425 B13R0.331 CCOC(=O)CC(=O)CSCC(C)O 62a_100011218427_100000210311 [0,1,0,0,0,0|2,0,0]=3 1426 B13R0.331 CCOC(=O)CC(=O)CSCC(F)F 62a_100000210311_100011934356 [0,1,0,0,0,0|3,0,0]=4 1427 B13R0.331 CCOC(=O)CC(=O)CSCC(F)F 62a_100011934356_100000210311 [0,1,0,0,0,0|3,0,0]=4 1428 B13R0.331 CCOC(=O)CC(=O)CSC[C@@H](C)O 62a_100000210311_100009817552 [0,1,0,0,0,0|2,0,0]=3 1429 B13R0.331 CCOC(=O)CC(=O)CSC[C@@H](C)O 62a_100009817552_100000210311 [0,1,0,0,0,0|2,0,0]=3 1430 B13R0.331 CCOC(=O)CC(=O)NCCC(=O)N 240690a_100000740010_100000243816 [0,1,0,0,0,0|2,0,1]=4 1431 B13R0.331 CCOC(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000243816 [0,1,0,0,0,0|1,0,0]=2 1432 B13R0.331 CCOC(=O)CC(=O)NCCC(C)O 240690a_200000755665_100000243816 [0,1,0,0,0,0|1,0,0]=2 1433 B13R0.331 CCOC(=O)CC(=O)NCCN(C)C 240690a_100000210585_100000243816 [0,1,0,0,0,0|2,0,0]=3 1434 B13R0.331 CCOC(=O)CC(=O)NNCC(C)C 22a_100000696102_100000243816 [0,1,0,0,0,0|2,0,0]=3 1435 B13R0.331 CCOC(=O)CC(=O)NNCC(C)O 22a_200000730056_100000243816 [0,1,0,0,0,0|2,0,0]=3 1436 B13R0.331 CCOC(=O)CC(C)NCCC(C)O 2230a_200000755665_100009817359 [0,1,0,0,0,0|2,0,1]=4 1437 B13R0.331 CCOC(=O)CC(C)OCCC(=O)C 7a_100000759926_100009817359 [0,1,0,0,0,0|1,0,2]=4 1438 B13R0.331 CCOC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817359 [0,1,0,0,0,0|1,0,1]=3 1439 B13R0.331 CCOC(=O)CC(C)SCCC(C)C 62a_100000210312_100009817359 [0,1,0,0,0,0|1,1,1]=4 1440 B13R0.331 CCOC(=O)CC(C)SCCC(C)C 62a_100009817359_100000210312 [0,1,0,0,0,0|1,1,1]=4 1441 B13R0.331 CCOC(=O)CC(C)SCCC(C)O 62a_100009817359_100012276601 [0,1,0,0,0,0|1,1,1]=4 1442 B13R0.331 CCOC(=O)CC(C)SCCC(C)O 62a_100012276601_100009817359 [0,1,0,0,0,0|1,1,1]=4 1443 B13R0.331 CCOC(=O)CN(C)CCCC(C)C 2230a_100000220588_100011214892 [0,1,0,0,0,0|3,0,0]=4 1444 B13R0.331 CCOC(=O)CN(C)CCCC(C)O 2230a_100000220588_200000718107 [0,1,0,0,0,0|3,0,0]=4 1445 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(=O)C 7a_100009816390_100000053229 [0,1,0,0,0,0|1,0,2]=4 1446 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(C)C 7a_100009816390_100000210626 [0,1,0,0,0,0|1,0,1]=3 1447 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(C)O 7a_100009816390_100012276601 [0,1,0,0,0,0|1,0,1]=3 1448 B13R0.331 CCOC(=O)C[C@@H](C)OCCN(C)C 7a_100009816390_100000755713 [0,1,0,0,0,0|2,0,1]=4 1449 B13R0.331 CCOC(=O)NC(=O)CSCC(C)C 62a_100000210624_100000010344 [0,1,0,0,0,0|3,0,0]=4 1450 B13R0.331 CCOC(=O)NC(=O)CSCC(C)O 62a_100011218427_100000010344 [0,1,0,0,0,0|3,0,0]=4 1451 B13R0.331 CCOC(=O)NC(=O)CSC[C@@H](C)O 62a_100009817552_100000010344 [0,1,0,0,0,0|3,0,0]=4 1452 B13R0.333 C#CCCCC(=O)CC(=O)OC(C)C 1458a_100000690238_100011215430 [0,1,0,0,0,0|1,0,2]=4 1453 B13R0.333 C=CCCCC(=O)CC(=O)OC(C)C 1458a_100000766728_100011215430 [0,1,0,0,0,0|1,0,2]=4 1454 B13R0.333 CC(C)NC(=O)CC(=O)CCCCO 1458a_100000695505_100000183996 [0,1,0,0,0,0|3,0,0]=4 1455 B13R0.333 CC(C)OC(=O)CC(=O)CCCC#N 1458a_100000075515_100011215430 [0,1,0,0,0,0|2,0,1]=4 1456 B13R0.333 CC(C)OC(=O)CC(=O)CCCCO 1458a_100000695505_100011215430 [0,1,0,0,0,0|2,0,0]=3 1457 B13R0.333 CC(C)OC(=O)CC(=O)COCCO 1458a_100000708028_100011215430 [0,1,0,0,0,0|3,0,0]=4 1458 B13R0.333 CC/C=C/CC(=O)CC(=O)OC(C)C 1458a_100016274230_100011215430 [0,1,0,0,0,0|1,0,2]=4 1459 B13R0.333 CCCC#CC(=O)CC(=O)NC(C)C 1458a_200011218047_100000183996 [0,1,0,0,0,0|2,0,1]=4 1460 B13R0.333 CCCC#CC(=O)CC(=O)OC(C)C 1458a_200011218047_100011215430 [0,1,0,0,0,0|1,0,1]=3 1461 B13R0.333 CCCC=CC(=O)CC(=O)NC(C)C 1458a_100000212230_100000183996 [0,1,0,0,0,0|2,0,1]=4 1462 B13R0.333 CCCC=CC(=O)CC(=O)OC(C)C 1458a_100000212230_100011215430 [0,1,0,0,0,0|1,0,1]=3 1463 B13R0.333 CCCCCC(=O)CC(=O)C=C(C)C 1458a_100000211388_200012276598 [0,1,0,0,0,0|2,0,1]=4 1464 B13R0.333 CCCCCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_200012276598 [0,1,0,0,0,0|2,0,1]=4 1465 B13R0.333 CCCCCC(=O)CC(=O)C=C(C)I 1458a_100025716642_200012276598 [0,1,0,0,0,0|2,0,1]=4 1466 B13R0.333 CCCCCC(=O)CC(=O)CC(C)C 1458a_100000210554_200012276598 [0,1,0,0,0,0|2,0,0]=3 1467 B13R0.333 CCCCCC(=O)CC(=O)CN(C)C 1458a_100000750896_200012276598 [0,1,0,0,0,0|3,0,0]=4 1468 B13R0.333 CCCCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200012276598 [0,1,0,0,0,0|2,0,0]=3 1469 B13R0.333 CCCCCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_200012276598 [0,1,0,0,0,0|3,0,0]=4 1470 B13R0.333 CCCCCC(=O)CC(=O)NC(=O)C 1458a_100000212188_100000183797 [0,1,0,0,0,0|2,0,1]=4 1471 B13R0.333 CCCCCC(=O)CC(=O)NC(C)C 1458a_100000212188_100000183996 [0,1,0,0,0,0|2,0,0]=3 1472 B13R0.333 CCCCCC(=O)CC(=O)OC(C)C 1458a_100000212188_100011215430 [0,1,0,0,0,0|1,0,0]=2 1473 B13R0.333 CCCCCN(C)CC(=O)OC(C)C 2230a_100000223495_100011215430 [0,1,0,0,0,0|3,0,0]=4 1474 B13R0.333 CCCCCN(C)CC(=O)OC(C)C 269982a_100000223495_100011215430 [0,1,0,0,0,0|3,0,0]=4 1475 B13R0.333 CCCCNC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000182744 [0,1,0,0,0,0|2,0,1]=4 1476 B13R0.333 CCCCNC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000182744 [0,1,0,0,0,0|2,0,1]=4 1477 B13R0.333 CCCCNC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000182744 [0,1,0,0,0,0|2,0,1]=4 1478 B13R0.333 CCCCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000182744 [0,1,0,0,0,0|2,0,0]=3 1479 B13R0.333 CCCCNC(=O)CC(=O)CN(C)C 1458a_100000750896_100000182744 [0,1,0,0,0,0|3,0,0]=4 1480 B13R0.333 CCCCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000182744 [0,1,0,0,0,0|2,0,0]=3 1481 B13R0.333 CCCCNC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000182744 [0,1,0,0,0,0|3,0,0]=4 1482 B13R0.333 CCCCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000211628 [0,1,0,0,0,0|1,0,1]=3 1483 B13R0.333 CCCCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000211628 [0,1,0,0,0,0|1,0,1]=3 1484 B13R0.333 CCCCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000211628 [0,1,0,0,0,0|1,0,1]=3 1485 B13R0.333 CCCCOC(=O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000211628 [0,1,0,0,0,0|2,0,1]=4 1486 B13R0.333 CCCCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000211628 [0,1,0,0,0,0|2,0,1]=4 1487 B13R0.333 CCCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000211628 [0,1,0,0,0,0|1,0,0]=2 1488 B13R0.333 CCCCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000211628 [0,1,0,0,0,0|2,0,0]=3 1489 B13R0.333 CCCCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000211628 [0,1,0,0,0,0|1,0,0]=2 1490 B13R0.333 CCCCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000211628 [0,1,0,0,0,0|2,0,0]=3 1491 B13R0.333 CCCCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000211628 [0,1,0,0,0,0|3,0,0]=4 1492 B13R0.333 CCCCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000211628 [0,1,0,0,0,0|3,0,0]=4 1493 B13R0.333 CCCCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000211628 [0,1,0,0,0,0|3,0,0]=4 1494 B13R0.333 CCCCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000211628 [0,1,0,0,0,0|3,0,0]=4 1495 B13R0.333 CCCCOC(C)OC(=O)OC(C)C 7a_100000210227_100000067433 [0,1,0,0,0,0|2,0,1]=4 1496 B13R0.333 CCCOCC(=O)CC(=O)NC(C)C 1458a_100000745993_100000183996 [0,1,0,0,0,0|3,0,0]=4 1497 B13R0.333 CCCOCC(=O)CC(=O)OC(C)C 1458a_100000745993_100011215430 [0,1,0,0,0,0|2,0,0]=3 1498 B13R0.333 CCCSCC(=O)CC(=O)NC(C)C 1458a_100000217233_100000183996 [0,1,0,0,0,0|3,0,0]=4 1499 B13R0.333 CCCSCC(=O)CC(=O)OC(C)C 1458a_100000217233_100011215430 [0,1,0,0,0,0|2,0,0]=3 1500 B13R0.333 CCOC=CC(=O)CC(=O)OC(C)C 1458a_100016266692_100011215430 [0,1,0,0,0,0|2,0,1]=4 1501 B13R0.333 CCOCCC(=O)CC(=O)NC(C)C 1458a_100000749530_100000183996 [0,1,0,0,0,0|3,0,0]=4 1502 B13R0.333 CCOCCC(=O)CC(=O)OC(C)C 1458a_100000749530_100011215430 [0,1,0,0,0,0|2,0,0]=3 1503 B13R0.333 CCSCCC(=O)CC(=O)NC(C)C 1458a_100000230768_100000183996 [0,1,0,0,0,0|3,0,0]=4 1504 B13R0.333 CCSCCC(=O)CC(=O)OC(C)C 1458a_100000230768_100011215430 [0,1,0,0,0,0|2,0,0]=3 1505 B13R0.333 COCC=CC(=O)CC(=O)OC(C)C 1458a_100016285016_100011215430 [0,1,0,0,0,0|2,0,1]=4 1506 B13R0.333 COCCCC(=O)CC(=O)NC(C)C 1458a_100000741012_100000183996 [0,1,0,0,0,0|3,0,0]=4 1507 B13R0.333 COCCCC(=O)CC(=O)OC(C)C 1458a_100000741012_100011215430 [0,1,0,0,0,0|2,0,0]=3 1508 B13R0.333 COCCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183275 [0,1,0,0,0,0|3,0,0]=4 1509 B13R0.333 COCCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183275 [0,1,0,0,0,0|3,0,0]=4 1510 B13R0.333 COCCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_200000040189 [0,1,0,0,0,0|2,0,1]=4 1511 B13R0.333 COCCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_200000040189 [0,1,0,0,0,0|2,0,1]=4 1512 B13R0.333 COCCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_200000040189 [0,1,0,0,0,0|2,0,1]=4 1513 B13R0.333 COCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_200000040189 [0,1,0,0,0,0|2,0,0]=3 1514 B13R0.333 COCCOC(=O)CC(=O)CN(C)C 1458a_100000750896_200000040189 [0,1,0,0,0,0|3,0,0]=4 1515 B13R0.333 COCCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200000040189 [0,1,0,0,0,0|2,0,0]=3 1516 B13R0.333 COCCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_200000040189 [0,1,0,0,0,0|3,0,0]=4 1517 B13R0.333 CSCCCC(=O)CC(=O)NC(C)C 1458a_100000173376_100000183996 [0,1,0,0,0,0|3,0,0]=4 1518 B13R0.333 CSCCCC(=O)CC(=O)OC(C)C 1458a_100000173376_100011215430 [0,1,0,0,0,0|2,0,0]=3 1519 B13R0.809 CCCCNS(=O)(=O)CC(=O)OCC 270084a_100000102301_100000738689 [0,1,0,0,0,0|2,0,0]=3 1520 B13R0.809 CCCCNS(=O)(=O)CC(=O)OCC 274078a_100000102301_100000738689 [0,1,0,0,0,0|2,0,0]=3 1521 B13R0.809 CCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210211 [0,1,0,0,0,0|1,0,1]=3 1522 B13R0.809 CCOC(=O)CC(C)(C)OCCCF 7a_100000765344_100011934791 [0,1,0,0,0,0|2,0,1]=4 1523 B13R0.809 CCOC(=O)CC(C)(C)OCCCO 7a_100000765344_100011215043 [0,1,0,0,0,0|2,0,1]=4 1524 B13R0.809 CCOC(=O)CC(C)(C)OCCOC 7a_100000765344_100000233755 [0,1,0,0,0,0|2,0,1]=4 1525 B13R0.809 CCOC(=O)CC(C)(C)OCCSC 7a_100000765344_100000212216 [0,1,0,0,0,0|2,0,1]=4 1526 B13R0.809 CCOC(=O)CS(=O)(=O)NCCCF 270084a_100015189416_100000738689 [0,1,0,0,0,0|3,0,0]=4 1527 B13R0.809 CCOC(=O)CS(=O)(=O)NCCCF 274078a_100015189416_100000738689 [0,1,0,0,0,0|3,0,0]=4 1528 B13R0.809 CCOC(=O)CS(=O)(=O)NCCCO 270084a_100000182051_100000738689 [0,1,0,0,0,0|3,0,0]=4 1529 B13R0.809 CCOC(=O)CS(=O)(=O)NCCCO 274078a_100000182051_100000738689 [0,1,0,0,0,0|3,0,0]=4 1530 B13R0.809 CCOC(=O)CS(=O)(=O)NCCOC 270084a_100000209980_100000738689 [0,1,0,0,0,0|3,0,0]=4 1531 B13R0.809 CCOC(=O)CS(=O)(=O)NCCOC 274078a_100000209980_100000738689 [0,1,0,0,0,0|3,0,0]=4 1532 B13R0.809 CCOC(=O)CS(=O)(=O)NCCSC 270084a_100020590264_100000738689 [0,1,0,0,0,0|3,0,0]=4 1533 B13R0.809 CCOC(=O)CS(=O)(=O)NCCSC 274078a_100020590264_100000738689 [0,1,0,0,0,0|3,0,0]=4 1534 B13R0.823 CCCCCC(=O)C[Si](C)(C)OCC 1458a_100000212188_200000065227 [0,1,0,0,0,0|2,1,0]=4 1535 B13R0.1051 CCCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210326 [0,1,0,0,0,0|3,0,0]=4 1536 B13R0.1051 CCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210215 [0,1,0,0,0,0|3,0,0]=4 1537 B13R0.1051 CCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210211 [0,1,0,0,0,0|1,0,1]=3 1538 B13R0.1051 CCCNN=C(CC)CC(=O)OCC 4a_100000740057_100000758052 [0,1,0,0,0,0|3,0,0]=4 1539 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCCF 7a_100000688340_100011934791 [0,1,0,0,0,0|2,0,1]=4 1540 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCCO 7a_100000688340_100011215043 [0,1,0,0,0,0|2,0,1]=4 1541 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCOC 7a_100000688340_100000233755 [0,1,0,0,0,0|2,0,1]=4 1542 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCSC 7a_100000688340_100000212216 [0,1,0,0,0,0|2,0,1]=4 1543 B13R0.1283 C#CCC(=O)C(C)C(=O)OCCCC 1458a_100011220946_100000759602 [0,1,0,0,0,0|1,0,2]=4 1544 B13R0.1283 C#CCCCC(=O)C(C)C(=O)OCC 1458a_100000690238_100011216346 [0,1,0,0,0,0|1,0,2]=4 1545 B13R0.1283 C#CCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000731252 [0,1,0,0,0,0|1,0,2]=4 1546 B13R0.1283 C#CCCCC(=O)C(F)C(=O)OCC 1458a_100000690238_100000760018 [0,1,0,0,0,0|1,0,2]=4 1547 B13R0.1283 C#CCCNC(=O)C(C)C(=O)OCC 11a_100000755551_100132301724 [0,1,0,0,0,0|1,0,2]=4 1548 B13R0.1283 C#CCCNC(=O)C(C)C(=O)OCC 1626a_100000755551_100132301724 [0,1,0,0,0,0|1,0,2]=4 1549 B13R0.1283 C#CCCNC(=O)C(C)C(=O)OCC 240690a_100000755551_100132301724 [0,1,0,0,0,0|1,0,2]=4 1550 B13R0.1283 C#CCCNC(=O)C(C)C(=O)OCC 527a_100000755551_100132301724 [0,1,0,0,0,0|1,0,2]=4 1551 B13R0.1283 C=CCC(=O)C(C)C(=O)OCCCC 1458a_100000210193_100000759602 [0,1,0,0,0,0|1,0,2]=4 1552 B13R0.1283 C=CCCCC(=O)C(C)C(=O)OCC 1458a_100000766728_100011216346 [0,1,0,0,0,0|1,0,2]=4 1553 B13R0.1283 C=CCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000757094 [0,1,0,0,0,0|1,0,2]=4 1554 B13R0.1283 C=CCCCC(=O)C(F)C(=O)OCC 1458a_100000766728_100000760018 [0,1,0,0,0,0|1,0,2]=4 1555 B13R0.1283 C=CCCNC(=O)C(C)C(=O)OCC 11a_100015191253_100132301724 [0,1,0,0,0,0|1,0,2]=4 1556 B13R0.1283 C=CCCNC(=O)C(C)C(=O)OCC 1626a_100015191253_100132301724 [0,1,0,0,0,0|1,0,2]=4 1557 B13R0.1283 C=CCCNC(=O)C(C)C(=O)OCC 240690a_100015191253_100132301724 [0,1,0,0,0,0|1,0,2]=4 1558 B13R0.1283 C=CCCNC(=O)C(C)C(=O)OCC 527a_100015191253_100132301724 [0,1,0,0,0,0|1,0,2]=4 1559 B13R0.1283 CC#CC(=O)C(C)C(=O)NCCCC 1458a_100000763181_100000735917 [0,1,0,0,0,0|2,0,1]=4 1560 B13R0.1283 CC#CC(=O)C(C)C(=O)OCCCC 1458a_100000763181_100000759602 [0,1,0,0,0,0|1,0,1]=3 1561 B13R0.1283 CC#CCNC(=O)C(C)C(=O)OCC 11a_100000685387_100132301724 [0,1,0,0,0,0|1,0,2]=4 1562 B13R0.1283 CC#CCNC(=O)C(C)C(=O)OCC 1626a_100000685387_100132301724 [0,1,0,0,0,0|1,0,2]=4 1563 B13R0.1283 CC#CCNC(=O)C(C)C(=O)OCC 527a_100000685387_100132301724 [0,1,0,0,0,0|1,0,2]=4 1564 B13R0.1283 CC/C=C/CC(=O)C(C)C(=O)OCC 1458a_100016274230_100011216346 [0,1,0,0,0,0|1,0,2]=4 1565 B13R0.1283 CC/C=C/CC(=O)C(F)C(=O)OCC 1458a_100016274230_100000760018 [0,1,0,0,0,0|1,0,2]=4 1566 B13R0.1283 CC/C=C\CC(=O)C(C)C(=O)OCC 1458a_100132301724_100103147603 [0,1,0,0,0,0|1,0,2]=4 1567 B13R0.1283 CC=CC(=O)C(C)C(=O)NCCCC 1458a_100000210699_100000735917 [0,1,0,0,0,0|2,0,1]=4 1568 B13R0.1283 CC=CC(=O)C(C)C(=O)OCCCC 1458a_100000210699_100000759602 [0,1,0,0,0,0|1,0,1]=3 1569 B13R0.1283 CCC#CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100009813939 [0,1,0,0,0,0|1,0,2]=4 1570 B13R0.1283 CCCC#CC(=O)C(C)C(=O)NCC 1458a_200011218047_100000230173 [0,1,0,0,0,0|2,0,1]=4 1571 B13R0.1283 CCCC#CC(=O)C(C)C(=O)OCC 1458a_200011218047_100011216346 [0,1,0,0,0,0|1,0,1]=3 1572 B13R0.1283 CCCC#CC(=O)C(F)C(=O)OCC 1458a_200011218047_100000760018 [0,1,0,0,0,0|1,0,1]=3 1573 B13R0.1283 CCCC(=O)C(C)C(=O)NCCOC 1458a_100000211992_100000230274 [0,1,0,0,0,0|3,0,0]=4 1574 B13R0.1283 CCCC=CC(=O)C(C)C(=O)NCC 1458a_100000212230_100000230173 [0,1,0,0,0,0|2,0,1]=4 1575 B13R0.1283 CCCC=CC(=O)C(C)C(=O)OCC 1458a_100000212230_100011216346 [0,1,0,0,0,0|1,0,1]=3 1576 B13R0.1283 CCCC=CC(=O)C(F)C(=O)OCC 1458a_100000212230_100000760018 [0,1,0,0,0,0|1,0,1]=3 1577 B13R0.1283 CCCCCC(=O)C(C)C(=O)NCC 1458a_100000212188_100000230173 [0,1,0,0,0,0|2,0,0]=3 1578 B13R0.1283 CCCCCC(=O)C(C)C(=O)OCC 1458a_100000212188_100011216346 [0,1,0,0,0,0|1,0,0]=2 1579 B13R0.1283 CCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210326 [0,1,0,0,0,0|1,0,0]=2 1580 B13R0.1283 CCCCCC(=O)C(F)C(=O)OCC 1458a_100000212188_100000760018 [0,1,0,0,0,0|1,0,0]=2 1581 B13R0.1283 CCCCCN(C)C(C)C(=O)OCC 2230a_100000223495_100011215307 [0,1,0,0,0,0|3,0,0]=4 1582 B13R0.1283 CCCCCN(C)C(C)C(=O)OCC 269982a_100000223495_100011216346 [0,1,0,0,0,0|3,0,0]=4 1583 B13R0.1283 CCCCCN(C)C(F)C(=O)OCC 2230a_100000223495_100000760018 [0,1,0,0,0,0|3,0,0]=4 1584 B13R0.1283 CCCCCN(C)C(F)C(=O)OCC 269982a_100000223495_100000760018 [0,1,0,0,0,0|3,0,0]=4 1585 B13R0.1283 CCCCNC(=O)C(C)C(=O)CCC 1458a_100000211992_100000735917 [0,1,0,0,0,0|2,0,0]=3 1586 B13R0.1283 CCCCNC(=O)C(C)C(=O)CCO 1458a_100011216618_100000735917 [0,1,0,0,0,0|3,0,0]=4 1587 B13R0.1283 CCCCNC(=O)C(C)C(=O)COC 1458a_100000210968_100000735917 [0,1,0,0,0,0|3,0,0]=4 1588 B13R0.1283 CCCCNC(=O)C(C)C(=O)CSC 1458a_100000184570_100000735917 [0,1,0,0,0,0|3,0,0]=4 1589 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 11a_100000102301_100132301724 [0,1,0,0,0,0|1,0,0]=2 1590 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 1626a_100000102301_100132301724 [0,1,0,0,0,0|1,0,0]=2 1591 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 240690a_100000102301_100132301724 [0,1,0,0,0,0|1,0,0]=2 1592 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 527a_100000102301_100132301724 [0,1,0,0,0,0|1,0,0]=2 1593 B13R0.1283 CCCCOC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100000759602 [0,1,0,0,0,0|2,0,1]=4 1594 B13R0.1283 CCCCOC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100000759602 [0,1,0,0,0,0|2,0,1]=4 1595 B13R0.1283 CCCCOC(=O)C(C)C(=O)C=CI 1458a_100016256311_100000759602 [0,1,0,0,0,0|2,0,1]=4 1596 B13R0.1283 CCCCOC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000759602 [0,1,0,0,0,0|2,0,1]=4 1597 B13R0.1283 CCCCOC(=O)C(C)C(=O)CCC 1458a_100000211992_100000759602 [0,1,0,0,0,0|1,0,0]=2 1598 B13R0.1283 CCCCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100000759602 [0,1,0,0,0,0|2,0,0]=3 1599 B13R0.1283 CCCCOC(=O)C(C)C(=O)COC 1458a_100000210968_100000759602 [0,1,0,0,0,0|2,0,0]=3 1600 B13R0.1283 CCCCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100000759602 [0,1,0,0,0,0|2,0,0]=3 1601 B13R0.1283 CCCCOC(=O)C(C)N(C)CCC 2230a_100000747261_100000759602 [0,1,0,0,0,0|3,0,0]=4 1602 B13R0.1283 CCCCOC(=O)C(C)N(C)CCC 269982a_100000747261_100000759602 [0,1,0,0,0,0|3,0,0]=4 1603 B13R0.1283 CCCNN=C(C)C(C)C(=O)OCC 4a_100000740057_100011215780 [0,1,0,0,0,0|3,0,0]=4 1604 B13R0.1283 CCCNN=C(C)C(F)C(=O)OCC 4a_100000740057_100011197482 [0,1,0,0,0,0|3,0,0]=4 1605 B13R0.1283 CCCNNC(=O)C(C)C(=O)OCC 22a_100000740057_100132301724 [0,1,0,0,0,0|2,0,0]=3 1606 B13R0.1283 CCCOCC(=O)C(C)C(=O)NCC 1458a_100000745993_100000230173 [0,1,0,0,0,0|3,0,0]=4 1607 B13R0.1283 CCCOCC(=O)C(C)C(=O)OCC 1458a_100000745993_100011216346 [0,1,0,0,0,0|2,0,0]=3 1608 B13R0.1283 CCCOCC(=O)C(F)C(=O)OCC 1458a_100000745993_100000760018 [0,1,0,0,0,0|2,0,0]=3 1609 B13R0.1283 CCCSCC(=O)C(C)C(=O)NCC 1458a_100000217233_100000230173 [0,1,0,0,0,0|3,0,0]=4 1610 B13R0.1283 CCCSCC(=O)C(C)C(=O)OCC 1458a_100000217233_100011216346 [0,1,0,0,0,0|2,0,0]=3 1611 B13R0.1283 CCCSCC(=O)C(F)C(=O)OCC 1458a_100000217233_100000760018 [0,1,0,0,0,0|2,0,0]=3 1612 B13R0.1283 CCNC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100000230173 [0,1,0,0,0,0|3,0,0]=4 1613 B13R0.1283 CCNC(=O)C(C)C(=O)CCCOC 1458a_100000741012_100000230173 [0,1,0,0,0,0|3,0,0]=4 1614 B13R0.1283 CCNC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100000230173 [0,1,0,0,0,0|3,0,0]=4 1615 B13R0.1283 CCNC(=O)C(C)C(=O)CCOCC 1458a_100000749530_100000230173 [0,1,0,0,0,0|3,0,0]=4 1616 B13R0.1283 CCNC(=O)C(C)C(=O)CCSCC 1458a_100000230768_100000230173 [0,1,0,0,0,0|3,0,0]=4 1617 B13R0.1283 CCOC(=O)C(C)C(=O)C=CCOC 1458a_100016285016_100011216346 [0,1,0,0,0,0|2,0,1]=4 1618 B13R0.1283 CCOC(=O)C(C)C(=O)CCCC#N 1458a_100000075515_100011216346 [0,1,0,0,0,0|2,0,1]=4 1619 B13R0.1283 CCOC(=O)C(C)C(=O)CCCC#N 1458a_100132301724_100000211468 [0,1,0,0,0,0|2,0,1]=4 1620 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCF 1458a_100132301724_100000729493 [0,1,0,0,0,0|2,0,0]=3 1621 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100011216346 [0,1,0,0,0,0|2,0,0]=3 1622 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCO 1458a_100132301724_100000210776 [0,1,0,0,0,0|2,0,0]=3 1623 B13R0.1283 CCOC(=O)C(C)C(=O)CCCOC 1458a_100000741012_100011216346 [0,1,0,0,0,0|2,0,0]=3 1624 B13R0.1283 CCOC(=O)C(C)C(=O)CCCOC 1458a_100132301724_100000740836 [0,1,0,0,0,0|2,0,0]=3 1625 B13R0.1283 CCOC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100011216346 [0,1,0,0,0,0|2,0,0]=3 1626 B13R0.1283 CCOC(=O)C(C)C(=O)CCSCC 1458a_100000230768_100011216346 [0,1,0,0,0,0|2,0,0]=3 1627 B13R0.1283 CCOC(=O)C(C)C(=O)CCSCC 1458a_100132301724_100000757381 [0,1,0,0,0,0|2,0,0]=3 1628 B13R0.1283 CCOC(=O)C(C)C(=O)COCCO 1458a_100000708028_100011216346 [0,1,0,0,0,0|3,0,0]=4 1629 B13R0.1283 CCOC(=O)C(C)C(=O)NCCC#N 11a_100000720768_100132301724 [0,1,0,0,0,0|2,0,1]=4 1630 B13R0.1283 CCOC(=O)C(C)C(=O)NCCC#N 1626a_100000720768_100132301724 [0,1,0,0,0,0|2,0,1]=4 1631 B13R0.1283 CCOC(=O)C(C)C(=O)NCCC#N 240690a_100000720768_100132301724 [0,1,0,0,0,0|2,0,1]=4 1632 B13R0.1283 CCOC(=O)C(C)C(=O)NCCC#N 527a_100000720768_100132301724 [0,1,0,0,0,0|2,0,1]=4 1633 B13R0.1283 CCOC(=O)C(C)C(=O)NCCCF 11a_100015189416_100132301724 [0,1,0,0,0,0|2,0,0]=3 1634 B13R0.1283 CCOC(=O)C(C)C(=O)NCCCF 1626a_100015189416_100132301724 [0,1,0,0,0,0|2,0,0]=3 1635 B13R0.1283 CCOC(=O)C(C)C(=O)NCCCF 240690a_100015189416_100132301724 [0,1,0,0,0,0|2,0,0]=3 1636 B13R0.1283 CCOC(=O)C(C)C(=O)NCCCF 527a_100015189416_100132301724 [0,1,0,0,0,0|2,0,0]=3 1637 B13R0.1283 CCOC(=O)C(C)C(=O)NCCCO 240690a_100000182051_100132301724 [0,1,0,0,0,0|2,0,0]=3 1638 B13R0.1283 CCOC(=O)C(C)C(=O)NCCCO 527a_100000182051_100132301724 [0,1,0,0,0,0|2,0,0]=3 1639 B13R0.1283 CCOC(=O)C(C)C(=O)NCCOC 1626a_100000209980_100132301724 [0,1,0,0,0,0|2,0,0]=3 1640 B13R0.1283 CCOC(=O)C(C)C(=O)NCCOC 240690a_100000209980_100132301724 [0,1,0,0,0,0|2,0,0]=3 1641 B13R0.1283 CCOC(=O)C(C)C(=O)NCCOC 527a_100000209980_100132301724 [0,1,0,0,0,0|2,0,0]=3 1642 B13R0.1283 CCOC(=O)C(C)C(=O)NCCSC 11a_100020590264_100132301724 [0,1,0,0,0,0|2,0,0]=3 1643 B13R0.1283 CCOC(=O)C(C)C(=O)NCCSC 1626a_100020590264_100132301724 [0,1,0,0,0,0|2,0,0]=3 1644 B13R0.1283 CCOC(=O)C(C)C(=O)NCCSC 240690a_100020590264_100132301724 [0,1,0,0,0,0|2,0,0]=3 1645 B13R0.1283 CCOC(=O)C(C)C(=O)NCCSC 527a_100020590264_100132301724 [0,1,0,0,0,0|2,0,0]=3 1646 B13R0.1283 CCOC(=O)C(C)C(=O)NNCCO 22a_100000210001_100132301724 [0,1,0,0,0,0|3,0,0]=4 1647 B13R0.1283 CCOC(=O)C(F)C(=O)C=CCOC 1458a_100016285016_100000760018 [0,1,0,0,0,0|2,0,1]=4 1648 B13R0.1283 CCOC(=O)C(F)C(=O)CCCC#N 1458a_100000075515_100000760018 [0,1,0,0,0,0|2,0,1]=4 1649 B13R0.1283 CCOC(=O)C(F)C(=O)CCCCO 1458a_100000695505_100000760018 [0,1,0,0,0,0|2,0,0]=3 1650 B13R0.1283 CCOC(=O)C(F)C(=O)CCCOC 1458a_100000741012_100000760018 [0,1,0,0,0,0|2,0,0]=3 1651 B13R0.1283 CCOC(=O)C(F)C(=O)CCCSC 1458a_100000173376_100000760018 [0,1,0,0,0,0|2,0,0]=3 1652 B13R0.1283 CCOC(=O)C(F)C(=O)CCSCC 1458a_100000230768_100000760018 [0,1,0,0,0,0|2,0,0]=3 1653 B13R0.1283 CCOC(=O)C(F)C(=O)COCCO 1458a_100000708028_100000760018 [0,1,0,0,0,0|3,0,0]=4 1654 B13R0.1283 CCOC=CC(=O)C(C)C(=O)OCC 1458a_100016266692_100011216346 [0,1,0,0,0,0|2,0,1]=4 1655 B13R0.1283 CCOC=CC(=O)C(F)C(=O)OCC 1458a_100016266692_100000760018 [0,1,0,0,0,0|2,0,1]=4 1656 B13R0.1283 CCOCCC(=O)C(C)C(=O)OCC 1458a_100000749530_100011216346 [0,1,0,0,0,0|2,0,0]=3 1657 B13R0.1283 CCOCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100011215890 [0,1,0,0,0,0|2,0,0]=3 1658 B13R0.1283 CCOCCC(=O)C(F)C(=O)OCC 1458a_100000749530_100000760018 [0,1,0,0,0,0|2,0,0]=3 1659 B13R0.1289 CCCCOC(=O)CN(CC)CCC 2230a_100000226822_100000211628 [0,1,0,0,0,0|3,0,0]=4 1660 B13R0.1289 CCCCOC(=O)CN(CC)CCC 269982a_100000226822_100000211628 [0,1,0,0,0,0|3,0,0]=4 1661 B13R0.1293 C/C=C(\C)/C(=O)CC(=O)CCCCC 1458a_100020587367_200012276598 [0,1,0,0,0,0|2,0,1]=4 1662 B13R0.1293 C/C=C(\C)/C(=O)CC(=O)NCCCC 1458a_100020587367_100000182744 [0,1,0,0,0,0|2,0,1]=4 1663 B13R0.1293 C/C=C(\C)/C(=O)CC(=O)OCCCC 1458a_100020587367_100000211628 [0,1,0,0,0,0|1,0,1]=3 1664 B13R0.1293 C/C=C(\C)/C(=O)CC(=O)OCCOC 1458a_100020587367_200000040189 [0,1,0,0,0,0|2,0,1]=4 1665 B13R0.1293 C=C(CC(=O)OCCCC)C(=O)NC 1626a_100102657272_100000049090 [0,1,0,0,0,0|3,0,0]=4 1666 B13R0.1293 C=C(CC(=O)OCCCC)C(=O)NC 240690a_100102657272_100000049090 [0,1,0,0,0,0|3,0,0]=4 1667 B13R0.1293 C=CC(C)C(=O)CC(=O)OCCCC 1458a_100011216780_100000211628 [0,1,0,0,0,0|1,0,2]=4 1668 B13R0.1293 CCC(C)C(=O)CC(=O)NCCOC 1458a_100011192722_100000183275 [0,1,0,0,0,0|3,0,0]=4 1669 B13R0.1293 CCC(C)C(=O)CC(=O)OCCOC 1458a_100011192722_200000040189 [0,1,0,0,0,0|2,0,0]=3 1670 B13R0.1293 CCC(O)C(=O)CC(=O)NCCOC 1458a_100011196387_100000183275 [0,1,0,0,0,0|3,0,0]=4 1671 B13R0.1293 CCC(O)C(=O)CC(=O)OCCOC 1458a_100011196387_200000040189 [0,1,0,0,0,0|2,0,0]=3 1672 B13R0.1293 CCCC#CC(=O)CC(=O)N(C)CC 1458a_200011218047_100011894763 [0,1,0,0,0,0|2,0,1]=4 1673 B13R0.1293 CCCC=CC(=O)CC(=O)N(C)CC 1458a_100000212230_100011894763 [0,1,0,0,0,0|2,0,1]=4 1674 B13R0.1293 CCCCCC(=O)CC(=O)C(=O)NC 1458a_100011218921_200012276598 [0,1,0,0,0,0|3,0,0]=4 1675 B13R0.1293 CCCCCC(=O)CC(=O)C(C)CC 1458a_100011192722_200012276598 [0,1,0,0,0,0|2,0,0]=3 1676 B13R0.1293 CCCCCC(=O)CC(=O)C(C)OC 1458a_100000743197_200012276598 [0,1,0,0,0,0|3,0,0]=4 1677 B13R0.1293 CCCCCC(=O)CC(=O)C(C)SC 1458a_100000149566_200012276598 [0,1,0,0,0,0|3,0,0]=4 1678 B13R0.1293 CCCCCC(=O)CC(=O)C(O)CC 1458a_100011196387_200012276598 [0,1,0,0,0,0|2,0,0]=3 1679 B13R0.1293 CCCCCC(=O)CC(=O)C(O)CO 1458a_100011215603_200012276598 [0,1,0,0,0,0|3,0,0]=4 1680 B13R0.1293 CCCCCC(=O)CC(=O)N(C)CC 1458a_100000212188_100011894763 [0,1,0,0,0,0|2,0,0]=3 1681 B13R0.1293 CCCCCC(=O)CC(=O)N(C)OC 1458a_100000212188_100000764215 [0,1,0,0,0,0|3,0,0]=4 1682 B13R0.1293 CCCCNC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000182744 [0,1,0,0,0,0|3,0,0]=4 1683 B13R0.1293 CCCCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000182744 [0,1,0,0,0,0|2,0,0]=3 1684 B13R0.1293 CCCCNC(=O)CC(=O)C(C)OC 1458a_100000743197_100000182744 [0,1,0,0,0,0|3,0,0]=4 1685 B13R0.1293 CCCCNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000182744 [0,1,0,0,0,0|3,0,0]=4 1686 B13R0.1293 CCCCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000182744 [0,1,0,0,0,0|2,0,0]=3 1687 B13R0.1293 CCCCNC(=O)CC(=O)C(O)CO 1458a_100011215603_100000182744 [0,1,0,0,0,0|3,0,0]=4 1688 B13R0.1293 CCCCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000211628 [0,1,0,0,0,0|2,0,0]=3 1689 B13R0.1293 CCCCOC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000211628 [0,1,0,0,0,0|2,0,1]=4 1690 B13R0.1293 CCCCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000211628 [0,1,0,0,0,0|1,0,0]=2 1691 B13R0.1293 CCCCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000211628 [0,1,0,0,0,0|2,0,0]=3 1692 B13R0.1293 CCCCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000211628 [0,1,0,0,0,0|2,0,0]=3 1693 B13R0.1293 CCCCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000211628 [0,1,0,0,0,0|1,0,0]=2 1694 B13R0.1293 CCCCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000211628 [0,1,0,0,0,0|2,0,0]=3 1695 B13R0.1293 CCCCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000211628 [0,1,0,0,0,0|3,0,0]=4 1696 B13R0.1293 CCCCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000211628 [0,1,0,0,0,0|3,0,0]=4 1697 B13R0.1293 CCCOCC(=O)CC(=O)N(C)CC 1458a_100000745993_100011894763 [0,1,0,0,0,0|3,0,0]=4 1698 B13R0.1293 CCCSCC(=O)CC(=O)N(C)CC 1458a_100000217233_100011894763 [0,1,0,0,0,0|3,0,0]=4 1699 B13R0.1293 CCN(C)C(=O)CC(=O)CCCCO 1458a_100000695505_100011894763 [0,1,0,0,0,0|3,0,0]=4 1700 B13R0.1293 CCN(C)C(=O)CC(=O)CCCOC 1458a_100000741012_100011894763 [0,1,0,0,0,0|3,0,0]=4 1701 B13R0.1293 CCN(C)C(=O)CC(=O)CCCSC 1458a_100000173376_100011894763 [0,1,0,0,0,0|3,0,0]=4 1702 B13R0.1293 CCOCCC(=O)CC(=O)N(C)CC 1458a_100000749530_100011894763 [0,1,0,0,0,0|3,0,0]=4 1703 B13R0.1293 CCSCCC(=O)CC(=O)N(C)CC 1458a_100000230768_100011894763 [0,1,0,0,0,0|3,0,0]=4 1704 B13R0.1293 CNC(=O)C(=O)CC(=O)OCCOC 1458a_100011218921_200000040189 [0,1,0,0,0,0|3,0,0]=4 1705 B13R0.1293 COCCOC(=O)CC(=O)C(C)OC 1458a_100000743197_200000040189 [0,1,0,0,0,0|3,0,0]=4 1706 B13R0.1293 COCCOC(=O)CC(=O)C(C)SC 1458a_100000149566_200000040189 [0,1,0,0,0,0|3,0,0]=4 1707 B13R0.1293 COCCOC(=O)CC(=O)C(O)CO 1458a_100011215603_200000040189 [0,1,0,0,0,0|3,0,0]=4 1708 B13R0.1521 C=C(CCC)CC(=O)NCC(C)CC 11a_100020588543_100000138376 [0,1,0,0,0,0|3,0,0]=4 1709 B13R0.1521 C=C(CCC)CC(=O)NCC(C)CC 240690a_100020588543_100000138376 [0,1,0,0,0,0|3,0,0]=4 1710 B13R0.1521 C=C(CCC)CC(=O)NCC(C)CC 527a_100020588543_100000138376 [0,1,0,0,0,0|3,0,0]=4 1711 B13R0.1521 C=C(CCC)CC(=O)NCC(O)CC 11a_100011218483_100000138376 [0,1,0,0,0,0|3,0,0]=4 1712 B13R0.1521 C=C(CCC)CC(=O)NCC(O)CC 240690a_100011218483_100000138376 [0,1,0,0,0,0|3,0,0]=4 1713 B13R0.1521 C=C(CCC)CC(=O)NCC(O)CC 527a_100011218483_100000138376 [0,1,0,0,0,0|3,0,0]=4 1714 B13R0.1521 C=COC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000036128 [0,1,0,0,0,0|1,0,2]=4 1715 B13R0.1521 CCC(C)CCC(=O)CC(=O)NCO 1458a_100000701222_100000185155 [0,1,0,0,0,0|3,0,0]=4 1716 B13R0.1521 CCCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747444 [0,1,0,0,0,0|2,0,0]=3 1717 B13R0.1521 CCCC(=O)CC(=O)CCN(C)CC 1458a_100000755305_100000747444 [0,1,0,0,0,0|3,0,0]=4 1718 B13R0.1521 CCCC(=O)CC(=O)CCS(=O)CC 1458a_100011387550_100000747444 [0,1,0,0,0,0|3,0,0]=4 1719 B13R0.1521 CCCC(=O)CC(=O)NCC(O)CO 1458a_100000211992_200012027429 [0,1,0,0,0,0|3,0,0]=4 1720 B13R0.1521 CCCS(=O)CC(=O)NCC(C)CC 11a_100020588543_100011387404 [0,1,0,0,0,0|3,0,0]=4 1721 B13R0.1521 CCCS(=O)CC(=O)NCC(C)CC 1626a_100020588543_100011387404 [0,1,0,0,0,0|3,0,0]=4 1722 B13R0.1521 CCCS(=O)CC(=O)NCC(C)CC 240690a_100020588543_100011387404 [0,1,0,0,0,0|3,0,0]=4 1723 B13R0.1521 CCCS(=O)CC(=O)NCC(C)CC 527a_100020588543_100011387404 [0,1,0,0,0,0|3,0,0]=4 1724 B13R0.1521 CCCS(=O)CC(=O)NCC(O)CC 11a_100011218483_100011387404 [0,1,0,0,0,0|3,0,0]=4 1725 B13R0.1521 CCCS(=O)CC(=O)NCC(O)CC 240690a_100011218483_100011387404 [0,1,0,0,0,0|3,0,0]=4 1726 B13R0.1521 CCCS(=O)CC(=O)NCC(O)CC 527a_100011218483_100011387404 [0,1,0,0,0,0|3,0,0]=4 1727 B13R0.1521 CCNC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000183381 [0,1,0,0,0,0|2,0,0]=3 1728 B13R0.1521 CCNC(=O)CC(=O)CCN(C)CC 1458a_100000755305_100000183381 [0,1,0,0,0,0|3,0,0]=4 1729 B13R0.1521 CCNC(=O)CC(=O)CCS(=O)CC 1458a_100011387550_100000183381 [0,1,0,0,0,0|3,0,0]=4 1730 B13R0.1521 CCOC(=O)CC(=O)CCC(=O)NC 1458a_100011309844_100000188475 [0,1,0,0,0,0|2,0,1]=4 1731 B13R0.1521 CCOC(=O)CC(=O)CCC(=O)OC 1458a_100000187943_100000188475 [0,1,0,0,0,0|2,0,1]=4 1732 B13R0.1521 CCOC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000188475 [0,1,0,0,0,0|1,0,0]=2 1733 B13R0.1521 CCOC(=O)CC(=O)CCN(C)CC 1458a_100000755305_100000188475 [0,1,0,0,0,0|2,0,0]=3 1734 B13R0.1521 CCOC(=O)CC(=O)CCS(=O)CC 1458a_100011387550_100000188475 [0,1,0,0,0,0|2,0,0]=3 1735 B13R0.1521 CCOC(=O)CC(=O)CNC(=O)CC 1458a_100000194589_100000188475 [0,1,0,0,0,0|2,0,1]=4 1736 B13R0.1521 CCOC(=O)CC(=O)CSC(C)CC 62a_100000210311_100000758301 [0,1,0,0,0,0|2,0,0]=3 1737 B13R0.1521 CCOC(=O)CC(=O)CSC(C)CC 62a_100000758301_100000210311 [0,1,0,0,0,0|2,0,0]=3 1738 B13R0.1521 CCOC(=O)CC(=O)CSC(C)CO 62a_100012180447_100000210311 [0,1,0,0,0,0|3,0,0]=4 1739 B13R0.1521 CCOC(=O)CC(=O)CSC(C)OC 62a_100000210311_100009879195 [0,1,0,0,0,0|3,0,0]=4 1740 B13R0.1521 CCOC(=O)CC(=O)CSC(C)OC 62a_100009879195_100000210311 [0,1,0,0,0,0|3,0,0]=4 1741 B13R0.1521 CCOC(=O)CC(=O)CS[C@H](C)CO 62a_100000210311_100016084084 [0,1,0,0,0,0|3,0,0]=4 1742 B13R0.1521 CCOC(=O)CC(=O)CS[C@H](C)CO 62a_100016084084_100000210311 [0,1,0,0,0,0|3,0,0]=4 1743 B13R0.1521 CCOC(=O)CC(=O)NCC(=O)NC 240690a_100000693194_100000243816 [0,1,0,0,0,0|2,0,1]=4 1744 B13R0.1521 CCOC(=O)CC(=O)NCC(C)CC 240690a_100020588543_100000243816 [0,1,0,0,0,0|1,0,0]=2 1745 B13R0.1521 CCOC(=O)CC(=O)NCC(C)CO 240690a_100000744482_100000243816 [0,1,0,0,0,0|2,0,0]=3 1746 B13R0.1521 CCOC(=O)CC(=O)NCC(O)CC 240690a_100011218483_100000243816 [0,1,0,0,0,0|1,0,0]=2 1747 B13R0.1521 CCOC(=O)CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000243816 [0,1,0,0,0,0|2,0,0]=3 1748 B13R0.1521 CCOC(=O)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000243816 [0,1,0,0,0,0|2,0,0]=3 1749 B13R0.1521 CCOC(=O)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000243816 [0,1,0,0,0,0|2,0,0]=3 1750 B13R0.1521 CCOC(=O)CC(=O)NNC(=O)CC 22a_100000183195_100000243816 [0,1,0,0,0,0|2,0,1]=4 1751 B13R0.1521 CCOC(=O)CC(=O)NNC(C)CC 22a_100000718999_100000243816 [0,1,0,0,0,0|2,0,0]=3 1752 B13R0.1521 CCOC(=O)CC(C)NCC(C)CC 2230a_100020588543_100009817359 [0,1,0,0,0,0|2,0,1]=4 1753 B13R0.1521 CCOC(=O)CC(C)NCC(O)CC 2230a_100011218483_100009817359 [0,1,0,0,0,0|2,0,1]=4 1754 B13R0.1521 CCOC(=O)CC(C)OC[C@@H](C)CC 7a_100009816381_100009817359 [0,1,0,0,0,0|1,0,1]=3 1755 B13R0.1521 CCOC(=O)CC(C)SCC(C)CC 62a_100000748023_100009817359 [0,1,0,0,0,0|1,1,1]=4 1756 B13R0.1521 CCOC(=O)CC(C)SCC(C)CC 62a_100009817359_100000748023 [0,1,0,0,0,0|1,1,1]=4 1757 B13R0.1521 CCOC(=O)CC(C)SCC(O)CC 62a_100009817359_100011218378 [0,1,0,0,0,0|1,1,1]=4 1758 B13R0.1521 CCOC(=O)CC(C)SCC(O)CC 62a_100011218378_100009817359 [0,1,0,0,0,0|1,1,1]=4 1759 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CC 62a_100009816398_100009817359 [0,1,0,0,0,0|1,1,1]=4 1760 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CC 62a_100009817359_100009816398 [0,1,0,0,0,0|1,1,1]=4 1761 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(=O)CC 7a_100009816390_100000747405 [0,1,0,0,0,0|1,0,2]=4 1762 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(C)CC 7a_100009816390_100000748023 [0,1,0,0,0,0|1,0,1]=3 1763 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(O)CC 7a_100009816390_100011218378 [0,1,0,0,0,0|1,0,1]=3 1764 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(O)CO 7a_100009816390_100011219619 [0,1,0,0,0,0|2,0,1]=4 1765 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](C)CC 7a_100009816390_100009816398 [0,1,0,0,0,0|1,0,1]=3 1766 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](C)CO 7a_100009816390_100000059175 [0,1,0,0,0,0|2,0,1]=4 1767 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](O)CF 7a_100009816390_100015614560 [0,1,0,0,0,0|2,0,1]=4 1768 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](O)CO 7a_100009816390_100009815848 [0,1,0,0,0,0|2,0,1]=4 1769 B13R0.1521 CCOC(=O)NC(=O)COC(C)CC 7a_100000210228_100000010344 [0,1,0,0,0,0|3,0,0]=4 1770 B13R0.1521 CCOC(=O)NC(=O)CSC(C)CC 62a_100000758301_100000010344 [0,1,0,0,0,0|3,0,0]=4 1771 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000188475 [0,0,0,1,0,0|3,0,0]=4 1772 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000188475 [0,0,0,1,0,0|3,0,0]=4 1773 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000188475 [0,0,0,1,0,0|3,0,0]=4 1774 B13R1.33 C=C(CCC)CC(=O)C1CCCC1 1458a_100000138376_100000179811 [0,0,0,1,0,0|3,0,0]=4 1775 B13R1.33 C=C(CCC)CC(=O)N1CCCC1 240690a_100000188435_100000138376 [0,0,0,1,0,0|3,0,0]=4 1776 B13R1.33 C=C(CCC)CC(=O)N1CCCC1 527a_100000188435_100000138376 [0,0,0,1,0,0|3,0,0]=4 1777 B13R1.33 C=COC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000036128 [0,0,0,1,0,0|1,0,2]=4 1778 B13R1.33 CC#CC(=O)CC(=O)N1CCCC1 1458a_100000763181_100000183516 [0,0,0,1,0,0|2,0,1]=4 1779 B13R1.33 CC=CC(=O)CC(=O)N1CCCC1 1458a_100000210699_100000183516 [0,0,0,1,0,0|2,0,1]=4 1780 B13R1.33 CCCC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000747444 [0,0,0,1,0,0|2,0,1]=4 1781 B13R1.33 CCCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747444 [0,0,0,1,0,0|2,0,0]=3 1782 B13R1.33 CCCC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000747444 [0,0,0,1,0,0|3,0,0]=4 1783 B13R1.33 CCCC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000747444 [0,0,0,1,0,0|3,0,0]=4 1784 B13R1.33 CCCC(=O)CC(=O)N1CCCC1 1458a_100000211992_100000183516 [0,0,0,1,0,0|2,0,0]=3 1785 B13R1.33 CCCC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000747444 [0,0,0,1,0,0|3,0,0]=4 1786 B13R1.33 CCCS(=O)CC(=O)C1CCCC1 1458a_100011387404_100000179811 [0,0,0,1,0,0|3,0,0]=4 1787 B13R1.33 CCCS(=O)CC(=O)N1CCCC1 240690a_100000188435_100011387404 [0,0,0,1,0,0|3,0,0]=4 1788 B13R1.33 CCCS(=O)CC(=O)N1CCCC1 527a_100000188435_100011387404 [0,0,0,1,0,0|3,0,0]=4 1789 B13R1.33 CCNC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000183381 [0,0,0,1,0,0|2,0,1]=4 1790 B13R1.33 CCNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000183381 [0,0,0,1,0,0|2,0,0]=3 1791 B13R1.33 CCNC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000183381 [0,0,0,1,0,0|3,0,0]=4 1792 B13R1.33 CCNC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000183381 [0,0,0,1,0,0|3,0,0]=4 1793 B13R1.33 CCNC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000183381 [0,0,0,1,0,0|3,0,0]=4 1794 B13R1.33 CCOC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000188475 [0,0,0,1,0,0|1,0,1]=3 1795 B13R1.33 CCOC(=O)CC(=O)C1=CCOC1 1458a_100000139269_100000188475 [0,0,0,1,0,0|2,0,1]=4 1796 B13R1.33 CCOC(=O)CC(=O)C1=COCC1 1458a_100000750620_100000188475 [0,0,0,1,0,0|2,0,1]=4 1797 B13R1.33 CCOC(=O)CC(=O)C1CC=CC1 1458a_100000759439_100000188475 [0,0,0,1,0,0|1,0,2]=4 1798 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000188475 [0,0,0,1,0,0|1,0,0]=2 1799 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 1458a_100000243816_100000179811 [0,0,0,1,0,0|1,0,0]=2 1800 B13R1.33 CCOC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000188475 [0,0,0,1,0,0|2,0,0]=3 1801 B13R1.33 CCOC(=O)CC(=O)C1CCOC1 1458a_100000243816_100000690089 [0,0,0,1,0,0|2,0,0]=3 1802 B13R1.33 CCOC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000188475 [0,0,0,1,0,0|2,0,0]=3 1803 B13R1.33 CCOC(=O)CC(=O)N1CC=CC1 240690a_100015195280_100000243816 [0,0,0,1,0,0|1,0,2]=4 1804 B13R1.33 CCOC(=O)CC(=O)N1CCCC1 240690a_100000188435_100000243816 [0,0,0,1,0,0|1,0,0]=2 1805 B13R1.33 CCOC(=O)CC(=O)N1CCSC1 240690a_100011215254_100000243816 [0,0,0,1,0,0|2,0,0]=3 1806 B13R1.33 CCOC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000188475 [0,0,0,1,0,0|2,0,0]=3 1807 B13R1.33 CCOC(=O)CC(C)N1CCCC1 2230a_100000188435_100009817359 [0,0,0,1,0,0|2,0,1]=4 1808 B13R1.33 CCOC(=O)CC(C)N1CCCC1 269982a_100000188435_100009817359 [0,0,0,1,0,0|2,0,1]=4 1809 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100000207505_100000188475 [0,0,0,1,0,0|3,0,0]=4 1810 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100000220588_100000179811 [0,0,0,1,0,0|3,0,0]=4 1811 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100025761507_200000210301 [0,0,0,1,0,0|3,0,0]=4 1812 B13R1.33 CCOC(=O)CN(C)C1CCCC1 269982a_100000207505_100000188475 [0,0,0,1,0,0|3,0,0]=4 1813 B13R1.33 CCOC(=O)CN(C)C1CCCC1 270004a_100000220588_100000210133 [0,0,0,1,0,0|3,0,0]=4 1814 B13R1.33 CCOC(=O)CN(C)C1CCCC1 34a_100000207505_100000188475 [0,0,0,1,0,0|3,0,0]=4 1815 B13R1.33 CCOC(=O)CN([13CH3])C1CCCC1 2230a_100025761507_200025704644 [0,0,0,1,0,0|3,0,0]=4 1816 B13R1.33 COCC(=O)CC(=O)N1CCCC1 1458a_100000210968_100000183516 [0,0,0,1,0,0|3,0,0]=4 1817 B13R1.33 CSCC(=O)CC(=O)N1CCCC1 1458a_100000184570_100000183516 [0,0,0,1,0,0|3,0,0]=4 1818 B13R1.33 O=C(CC(=O)C1CCCC1)NCO 1458a_100000210718_100000185155 [0,0,0,1,0,0|3,0,0]=4 1819 B13R1.33 O=C(CCO)CC(=O)N1CCCC1 1458a_100011216618_100000183516 [0,0,0,1,0,0|3,0,0]=4 1820 B13R1.55 CCCCOc1cc(oc(=O)c1)C 34a_100000210952_100000210210 [0,0,0,1,0,0|1,0,2]=4 1821 B13R1.55 CCCCOc1cc(oc(=O)c1)C 7a_100000210952_100000210211 [0,0,0,1,0,0|1,0,2]=4 1822 B13R1.156 CCCCCC(=O)CC1=CCCC1 1458a_100000050221_100000210326 [0,0,0,1,0,0|3,0,0]=4 1823 B13R1.156 CCCCCC(=O)CC1CCCO1 1458a_100000212188_100000203698 [0,0,0,1,0,0|2,0,1]=4 1824 B13R1.156 CCCCCC(=O)CC1OCCO1 1458a_100000212188_100000755774 [0,0,0,1,0,0|1,0,2]=4 1825 B13R1.156 CCCCNC(=O)CC1=CCCC1 11a_100000102301_100000050221 [0,0,0,1,0,0|3,0,0]=4 1826 B13R1.156 CCCCNC(=O)CC1=CCCC1 1626a_100000102301_100000050221 [0,0,0,1,0,0|3,0,0]=4 1827 B13R1.156 CCCCNC(=O)CC1=CCCC1 240690a_100000102301_100000050221 [0,0,0,1,0,0|3,0,0]=4 1828 B13R1.156 CCCCNC(=O)CC1=CCCC1 527a_100000102301_100000050221 [0,0,0,1,0,0|3,0,0]=4 1829 B13R1.156 CCCCOC(=O)CN1CCCC1 2230a_100000188435_100000211628 [0,0,0,1,0,0|3,0,0]=4 1830 B13R1.156 CCCCOC(=O)CN1CCCC1 269982a_100000188435_100000211628 [0,0,0,1,0,0|3,0,0]=4 1831 B13R1.463 CC#CC(=O)C1CCCCCC1=O 1458a_100000763181_100000243696 [0,0,0,1,0,0|2,0,1]=4 1832 B13R1.463 CC#CC(=O)C1CCCCNC1=O 1458a_100000763181_100000735217 [0,0,0,1,0,0|2,0,1]=4 1833 B13R1.463 CC=CC(=O)C1CCCCCC1=O 1458a_100000210699_100000243696 [0,0,0,1,0,0|2,0,1]=4 1834 B13R1.463 CC=CC(=O)C1CCCCNC1=O 1458a_100000210699_100000735217 [0,0,0,1,0,0|2,0,1]=4 1835 B13R1.463 CCCC(=O)C1CCCCCC1=O 1458a_100000211992_100000243696 [0,0,0,1,0,0|2,0,0]=3 1836 B13R1.463 CCCC(=O)C1CCCCNC1=O 1458a_100000211992_100000735217 [0,0,0,1,0,0|2,0,0]=3 1837 B13R1.463 COCC(=O)C1CCCCCC1=O 1458a_100000210968_100000243696 [0,0,0,1,0,0|3,0,0]=4 1838 B13R1.463 COCC(=O)C1CCCCNC1=O 1458a_100000210968_100000735217 [0,0,0,1,0,0|3,0,0]=4 1839 B13R1.463 CSCC(=O)C1CCCCCC1=O 1458a_100000184570_100000243696 [0,0,0,1,0,0|3,0,0]=4 1840 B13R1.463 CSCC(=O)C1CCCCNC1=O 1458a_100000184570_100000735217 [0,0,0,1,0,0|3,0,0]=4 1841 B13R1.463 O=C(CCO)C1CCCCCC1=O 1458a_100011216618_100000243696 [0,0,0,1,0,0|3,0,0]=4 1842 B13R1.463 O=C(CCO)C1CCCCNC1=O 1458a_100011216618_100000735217 [0,0,0,1,0,0|3,0,0]=4 1843 B13R1.725 C#CCCCC(=O)C1CCOC1=O 1458a_100000690238_100000211211 [0,0,0,1,0,0|1,0,2]=4 1844 B13R1.725 C=CCCCC(=O)C1CCOC1=O 1458a_100000766728_100000211211 [0,0,0,1,0,0|1,0,2]=4 1845 B13R1.725 CC/C=C/CC(=O)C1CCOC1=O 1458a_100016274230_100000211211 [0,0,0,1,0,0|1,0,2]=4 1846 B13R1.725 CCCC#CC(=O)C1CCCC1=O 1458a_200011218047_100000211823 [0,0,0,1,0,0|2,0,1]=4 1847 B13R1.725 CCCC#CC(=O)C1CCOC1=O 1458a_200011218047_100000211211 [0,0,0,1,0,0|1,0,1]=3 1848 B13R1.725 CCCC=CC(=O)C1CCCC1=O 1458a_100000212230_100000211823 [0,0,0,1,0,0|2,0,1]=4 1849 B13R1.725 CCCC=CC(=O)C1CCOC1=O 1458a_100000212230_100000211211 [0,0,0,1,0,0|1,0,1]=3 1850 B13R1.725 CCCCCC(=O)C1CCCC1=O 1458a_100000212188_100000211823 [0,0,0,1,0,0|2,0,0]=3 1851 B13R1.725 CCCCCC(=O)C1CCOC1=O 1458a_100000212188_100000211211 [0,0,0,1,0,0|1,0,0]=2 1852 B13R1.725 CCCCCN(C)C1CCOC1=O 2230a_100000223495_100000211211 [0,0,0,1,0,0|3,0,0]=4 1853 B13R1.725 CCCCCN(C)C1CCOC1=O 269982a_100000223495_100000211211 [0,0,0,1,0,0|3,0,0]=4 1854 B13R1.725 CCCNN=C(C)C1CCOC1=O 4a_100000740057_100000211971 [0,0,0,1,0,0|3,0,0]=4 1855 B13R1.725 CCCOCC(=O)C1CCCC1=O 1458a_100000745993_100000211823 [0,0,0,1,0,0|3,0,0]=4 1856 B13R1.725 CCCOCC(=O)C1CCOC1=O 1458a_100000745993_100000211211 [0,0,0,1,0,0|2,0,0]=3 1857 B13R1.725 CCCSCC(=O)C1CCCC1=O 1458a_100000217233_100000211823 [0,0,0,1,0,0|3,0,0]=4 1858 B13R1.725 CCCSCC(=O)C1CCOC1=O 1458a_100000217233_100000211211 [0,0,0,1,0,0|2,0,0]=3 1859 B13R1.725 CCOC=CC(=O)C1CCOC1=O 1458a_100016266692_100000211211 [0,0,0,1,0,0|2,0,1]=4 1860 B13R1.725 CCOCCC(=O)C1CCCC1=O 1458a_100000749530_100000211823 [0,0,0,1,0,0|3,0,0]=4 1861 B13R1.725 CCOCCC(=O)C1CCOC1=O 1458a_100000749530_100000211211 [0,0,0,1,0,0|2,0,0]=3 1862 B13R1.725 CCSCCC(=O)C1CCCC1=O 1458a_100000230768_100000211823 [0,0,0,1,0,0|3,0,0]=4 1863 B13R1.725 CCSCCC(=O)C1CCOC1=O 1458a_100000230768_100000211211 [0,0,0,1,0,0|2,0,0]=3 1864 B13R1.725 COCC=CC(=O)C1CCOC1=O 1458a_100016285016_100000211211 [0,0,0,1,0,0|2,0,1]=4 1865 B13R1.725 COCCCC(=O)C1CCCC1=O 1458a_100000741012_100000211823 [0,0,0,1,0,0|3,0,0]=4 1866 B13R1.725 COCCCC(=O)C1CCOC1=O 1458a_100000741012_100000211211 [0,0,0,1,0,0|2,0,0]=3 1867 B13R1.725 CSCCCC(=O)C1CCCC1=O 1458a_100000173376_100000211823 [0,0,0,1,0,0|3,0,0]=4 1868 B13R1.725 CSCCCC(=O)C1CCOC1=O 1458a_100000173376_100000211211 [0,0,0,1,0,0|2,0,0]=3 1869 B13R1.725 N#CCCCC(=O)C1CCOC1=O 1458a_100000075515_100000211211 [0,0,0,1,0,0|2,0,1]=4 1870 B13R1.725 O=C(CCCCO)C1CCCC1=O 1458a_100000695505_100000211823 [0,0,0,1,0,0|3,0,0]=4 1871 B13R1.725 O=C(CCCCO)C1CCOC1=O 1458a_100000695505_100000211211 [0,0,0,1,0,0|2,0,0]=3 1872 B13R1.725 O=C(COCCO)C1CCOC1=O 1458a_100000708028_100000211211 [0,0,0,1,0,0|3,0,0]=4 1873 B13R1.727 CCCCOC(=O)CN1CC(C1)C 2230a_100000702820_100000211628 [0,0,0,1,0,0|3,0,0]=4 1874 B13R1.727 CCCCOC(=O)CN1CC(C1)C 269982a_100000702820_100000211628 [0,0,0,1,0,0|3,0,0]=4 1875 B13R1.727 CCCCOC(=O)CN1CC(C1)C 34a_100000702820_100000211628 [0,0,0,1,0,0|3,0,0]=4 1876 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [0,0,0,1,0,0|3,0,0]=4 1877 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [0,0,0,1,0,0|3,0,0]=4 1878 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [0,0,0,1,0,0|3,0,0]=4 1879 B13R1.2844 C=COC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000036128 [0,0,0,1,0,0|1,0,2]=4 1880 B13R1.2844 CCC1CC1C(=O)CC(=O)NCO 1458a_200011661523_100000185155 [0,0,0,1,0,0|3,0,0]=4 1881 B13R1.2844 CCCC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000747444 [0,0,0,1,0,0|2,0,0]=3 1882 B13R1.2844 CCNC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000183381 [0,0,0,1,0,0|2,0,0]=3 1883 B13R1.2844 CCOC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000188475 [0,0,0,1,0,0|1,0,0]=2 1884 B13R1.2844 CCOC(=O)CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000188475 [0,0,0,1,0,0|2,0,1]=4 1885 B13R1.2845 CCOC(=O)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000243816 [0,0,0,1,0,0|2,0,0]=3 1886 B13R1.2845 CCOC(=O)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000243816 [0,0,0,1,0,0|2,0,0]=3 1887 B13R1.2846 C=C(CCC)CC(=O)CC1CCC1 1458a_100000138376_100000763275 [0,0,0,1,0,0|3,0,0]=4 1888 B13R1.2846 C=C(CCC)CC(=O)NC1CCC1 11a_100000749019_100000138376 [0,0,0,1,0,0|3,0,0]=4 1889 B13R1.2846 C=C(CCC)CC(=O)NC1CCC1 240690a_100000749019_100000138376 [0,0,0,1,0,0|3,0,0]=4 1890 B13R1.2846 C=C(CCC)CC(=O)NC1CCC1 527a_100000749019_100000138376 [0,0,0,1,0,0|3,0,0]=4 1891 B13R1.2846 C=COC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000036128 [0,0,0,1,0,0|1,0,2]=4 1892 B13R1.2846 CCCC(=O)CC(=O)C=C1CCC1 1458a_100000686340_100000747444 [0,0,0,1,0,0|2,0,1]=4 1893 B13R1.2846 CCCC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747444 [0,0,0,1,0,0|2,0,0]=3 1894 B13R1.2846 CCCC(=O)CC(=O)CC1COC1 1458a_100000687760_100000747444 [0,0,0,1,0,0|3,0,0]=4 1895 B13R1.2846 CCCS(=O)CC(=O)CC1CCC1 1458a_100011387404_100000763275 [0,0,0,1,0,0|3,0,0]=4 1896 B13R1.2846 CCCS(=O)CC(=O)NC1CCC1 11a_100000749019_100011387404 [0,0,0,1,0,0|3,0,0]=4 1897 B13R1.2846 CCCS(=O)CC(=O)NC1CCC1 1626a_100000749019_100011387404 [0,0,0,1,0,0|3,0,0]=4 1898 B13R1.2846 CCCS(=O)CC(=O)NC1CCC1 240690a_100000749019_100011387404 [0,0,0,1,0,0|3,0,0]=4 1899 B13R1.2846 CCCS(=O)CC(=O)NC1CCC1 527a_100000749019_100011387404 [0,0,0,1,0,0|3,0,0]=4 1900 B13R1.2846 CCNC(=O)CC(=O)C=C1CCC1 1458a_100000686340_100000183381 [0,0,0,1,0,0|2,0,1]=4 1901 B13R1.2846 CCNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000183381 [0,0,0,1,0,0|2,0,0]=3 1902 B13R1.2846 CCNC(=O)CC(=O)CC1COC1 1458a_100000687760_100000183381 [0,0,0,1,0,0|3,0,0]=4 1903 B13R1.2846 CCOC(=O)CC(=O)C=C1CCC1 1458a_100000686340_100000188475 [0,0,0,1,0,0|1,0,1]=3 1904 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 1458a_100000243816_100000763275 [0,0,0,1,0,0|1,0,0]=2 1905 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000188475 [0,0,0,1,0,0|1,0,0]=2 1906 B13R1.2846 CCOC(=O)CC(=O)CC1CCO1 1458a_100000243816_100000103362 [0,0,0,1,0,0|2,0,0]=3 1907 B13R1.2846 CCOC(=O)CC(=O)CC1COC1 1458a_100000243816_100010264016 [0,0,0,1,0,0|2,0,0]=3 1908 B13R1.2846 CCOC(=O)CC(=O)CC1COC1 1458a_100000687760_100000188475 [0,0,0,1,0,0|2,0,0]=3 1909 B13R1.2846 CCOC(=O)CC(=O)CN1CCC1 269982a_100000754969_100000210311 [0,0,0,1,0,0|2,0,0]=3 1910 B13R1.2846 CCOC(=O)CC(=O)NC1CCC1 240690a_100000749019_100000243816 [0,0,0,1,0,0|1,0,0]=2 1911 B13R1.2846 CCOC(=O)CC(=O)NC1COC1 240690a_100016991112_100000243816 [0,0,0,1,0,0|2,0,0]=3 1912 B13R1.2846 CCOC(=O)CC(=O)NC1CSC1 240690a_100016994217_100000243816 [0,0,0,1,0,0|2,0,0]=3 1913 B13R1.2846 CCOC(=O)CC(C)NC1CCC1 2230a_100000749019_100009817359 [0,0,0,1,0,0|2,0,1]=4 1914 B13R1.2846 CCOC(=O)CC(C)OC1CSC1 7a_100000072292_100009817359 [0,0,0,1,0,0|2,0,1]=4 1915 B13R1.2846 CCOC(=O)CC(C)SC1CCC1 62a_100009817359_100000749161 [0,0,0,1,0,0|1,1,1]=4 1916 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 2230a_100000220588_100000763275 [0,0,0,1,0,0|3,0,0]=4 1917 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 2230a_200000750244_100000188475 [0,0,0,1,0,0|3,0,0]=4 1918 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 269982a_200000750244_100000188475 [0,0,0,1,0,0|3,0,0]=4 1919 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 34a_200000750244_100000188475 [0,0,0,1,0,0|3,0,0]=4 1920 B13R1.2846 CCOC(=O)C[C@@H](C)OC1COC1 7a_100009816390_100009818527 [0,0,0,1,0,0|2,0,1]=4 1921 B13R1.2846 CCOC(=O)NC(=O)CN1CCC1 269982a_100000754969_100000010344 [0,0,0,1,0,0|3,0,0]=4 1922 B13R1.2846 O=C(CC(=O)NCO)CC1CCC1 1458a_100000763092_100000185155 [0,0,0,1,0,0|3,0,0]=4 1923 B13R1.2847 C=C(CCC)CC(=O)CCC1CC1 1458a_100000138376_100000694398 [0,0,0,1,0,0|3,0,0]=4 1924 B13R1.2847 C=C(CCC)CC(=O)NCC1CC1 11a_100000735609_100000138376 [0,0,0,1,0,0|3,0,0]=4 1925 B13R1.2847 C=C(CCC)CC(=O)NCC1CC1 240690a_100000735609_100000138376 [0,0,0,1,0,0|3,0,0]=4 1926 B13R1.2847 C=C(CCC)CC(=O)NCC1CC1 527a_100000735609_100000138376 [0,0,0,1,0,0|3,0,0]=4 1927 B13R1.2847 C=COC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000036128 [0,0,0,1,0,0|1,0,2]=4 1928 B13R1.2847 CCCC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000747444 [0,0,0,1,0,0|2,0,1]=4 1929 B13R1.2847 CCCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747444 [0,0,0,1,0,0|2,0,0]=3 1930 B13R1.2847 CCCS(=O)CC(=O)CCC1CC1 1458a_100011387404_100000694398 [0,0,0,1,0,0|3,0,0]=4 1931 B13R1.2847 CCCS(=O)CC(=O)NCC1CC1 11a_100000735609_100011387404 [0,0,0,1,0,0|3,0,0]=4 1932 B13R1.2847 CCCS(=O)CC(=O)NCC1CC1 1626a_100000735609_100011387404 [0,0,0,1,0,0|3,0,0]=4 1933 B13R1.2847 CCCS(=O)CC(=O)NCC1CC1 240690a_100000735609_100011387404 [0,0,0,1,0,0|3,0,0]=4 1934 B13R1.2847 CCCS(=O)CC(=O)NCC1CC1 527a_100000735609_100011387404 [0,0,0,1,0,0|3,0,0]=4 1935 B13R1.2847 CCNC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000183381 [0,0,0,1,0,0|2,0,1]=4 1936 B13R1.2847 CCNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183381 [0,0,0,1,0,0|2,0,0]=3 1937 B13R1.2847 CCOC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000188475 [0,0,0,1,0,0|1,0,1]=3 1938 B13R1.2847 CCOC(=O)CC(=O)CCC1CC1 1458a_100000243816_100000694398 [0,0,0,1,0,0|1,0,0]=2 1939 B13R1.2847 CCOC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000188475 [0,0,0,1,0,0|1,0,0]=2 1940 B13R1.2847 CCOC(=O)CC(=O)CCC1CO1 1458a_100000243816_100000732470 [0,0,0,1,0,0|2,0,0]=3 1941 B13R1.2847 CCOC(=O)CC(=O)CSC1CC1 62a_100000210311_100000211595 [0,0,0,1,0,0|2,0,0]=3 1942 B13R1.2847 CCOC(=O)CC(=O)NCC1CC1 240690a_100000735609_100000243816 [0,0,0,1,0,0|1,0,0]=2 1943 B13R1.2847 CCOC(=O)CC(=O)NNC1CC1 22a_100000701032_100000243816 [0,0,0,1,0,0|2,0,0]=3 1944 B13R1.2847 CCOC(=O)CC(C)NCC1CC1 2230a_100000735609_100009817359 [0,0,0,1,0,0|2,0,1]=4 1945 B13R1.2847 CCOC(=O)CC(C)SCC1CC1 62a_100000756562_100009817359 [0,0,0,1,0,0|1,1,1]=4 1946 B13R1.2847 CCOC(=O)CC(C)SCC1CC1 62a_100009817359_100000742324 [0,0,0,1,0,0|1,1,1]=4 1947 B13R1.2847 CCOC(=O)CN(C)CCC1CC1 2230a_100000220588_100000694398 [0,0,0,1,0,0|3,0,0]=4 1948 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CC1 7a_100009816390_100000742324 [0,0,0,1,0,0|1,0,1]=3 1949 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CO1 7a_100009816390_102125554688 [0,0,0,1,0,0|2,0,1]=4 1950 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CS1 7a_100009816390_100000031435 [0,0,0,1,0,0|2,0,1]=4 1951 B13R1.2847 CCOC(=O)C[C@@H](C)OC[C@@H]1CO1 7a_100009816390_100000745022 [0,0,0,1,0,0|2,0,1]=4 1952 B13R1.2847 O=C(CCC1CC1)CC(=O)NCO 1458a_100000756386_100000185155 [0,0,0,1,0,0|3,0,0]=4 1953 B13R1.2848 C=C(CCC)CC(=O)N1CCC1C 11a_100000755817_100000138376 [0,0,0,1,0,0|3,0,0]=4 1954 B13R1.2848 C=C(CCC)CC(=O)N1CCC1C 240690a_100000755817_100000138376 [0,0,0,1,0,0|3,0,0]=4 1955 B13R1.2848 C=C(CCC)CC(=O)N1CCC1C 527a_100000755817_100000138376 [0,0,0,1,0,0|3,0,0]=4 1956 B13R1.2848 CCCS(=O)CC(=O)N1CCC1C 11a_100000755817_100011387404 [0,0,0,1,0,0|3,0,0]=4 1957 B13R1.2848 CCCS(=O)CC(=O)N1CCC1C 240690a_100000755817_100011387404 [0,0,0,1,0,0|3,0,0]=4 1958 B13R1.2848 CCCS(=O)CC(=O)N1CCC1C 527a_100000755817_100011387404 [0,0,0,1,0,0|3,0,0]=4 1959 B13R1.2848 CCOC(=O)CC(=O)C1CCC1=O 1458a_100000243816_100009892977 [0,0,0,1,0,0|2,0,1]=4 1960 B13R1.2848 CCOC(=O)CC(=O)N1CCC1C 240690a_100000755817_100000243816 [0,0,0,1,0,0|1,0,0]=2 1961 B13R1.2848 CCOC(=O)CC(C)N1CCC1C 269982a_100000755817_100009817359 [0,0,0,1,0,0|2,0,1]=4 1962 B13R1.2969 CCCC#CC(=O)CC(=O)C1CC1 1458a_200011218047_100000746382 [0,0,0,1,0,0|2,0,1]=4 1963 B13R1.2969 CCCC=CC(=O)CC(=O)C1CC1 1458a_100000212230_100000746382 [0,0,0,1,0,0|2,0,1]=4 1964 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 1458a_100000210395_200012276598 [0,0,0,1,0,0|2,0,0]=3 1965 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 1458a_100000212188_100000746382 [0,0,0,1,0,0|2,0,0]=3 1966 B13R1.2969 CCCCCC(=O)CC(=O)C1CO1 1458a_100000701028_200012276598 [0,0,0,1,0,0|3,0,0]=4 1967 B13R1.2969 CCCCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000182744 [0,0,0,1,0,0|2,0,0]=3 1968 B13R1.2969 CCCCNC(=O)CC(=O)C1CO1 1458a_100000701028_100000182744 [0,0,0,1,0,0|3,0,0]=4 1969 B13R1.2969 CCCCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000211628 [0,0,0,1,0,0|1,0,0]=2 1970 B13R1.2969 CCCCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000211628 [0,0,0,1,0,0|2,0,0]=3 1971 B13R1.2969 CCCCOC(=O)CN(C)C1CC1 2230a_100000226674_100000211628 [0,0,0,1,0,0|3,0,0]=4 1972 B13R1.2969 CCCCOC(=O)CN(C)C1CC1 269982a_100000226674_100000211628 [0,0,0,1,0,0|3,0,0]=4 1973 B13R1.2969 CCCOCC(=O)CC(=O)C1CC1 1458a_100000745993_100000746382 [0,0,0,1,0,0|3,0,0]=4 1974 B13R1.2969 CCCSCC(=O)CC(=O)C1CC1 1458a_100000217233_100000746382 [0,0,0,1,0,0|3,0,0]=4 1975 B13R1.2969 CCOCCC(=O)CC(=O)C1CC1 1458a_100000749530_100000746382 [0,0,0,1,0,0|3,0,0]=4 1976 B13R1.2969 CCSCCC(=O)CC(=O)C1CC1 1458a_100000230768_100000746382 [0,0,0,1,0,0|3,0,0]=4 1977 B13R1.2969 COCCCC(=O)CC(=O)C1CC1 1458a_100000741012_100000746382 [0,0,0,1,0,0|3,0,0]=4 1978 B13R1.2969 COCCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183275 [0,0,0,1,0,0|3,0,0]=4 1979 B13R1.2969 COCCOC(=O)CC(=O)C1CC1 1458a_100000210395_200000040189 [0,0,0,1,0,0|2,0,0]=3 1980 B13R1.2969 COCCOC(=O)CC(=O)C1CO1 1458a_100000701028_200000040189 [0,0,0,1,0,0|3,0,0]=4 1981 B13R1.2969 CSCCCC(=O)CC(=O)C1CC1 1458a_100000173376_100000746382 [0,0,0,1,0,0|3,0,0]=4 1982 B13R1.2969 O=C(CCCCO)CC(=O)C1CC1 1458a_100000695505_100000746382 [0,0,0,1,0,0|3,0,0]=4 1983 B11R0.155 C#CCCNC(=O)C(=O)OCC 11a_100000755551_100014798877 [0,0,0,0,1,0|1,0,2]=4 1984 B11R0.155 C#CCCNC(=O)C(=O)OCC 1626a_100000755551_100014798877 [0,0,0,0,1,0|1,0,2]=4 1985 B11R0.155 C#CCCNC(=O)C(=O)OCC 240690a_100000755551_100014798877 [0,0,0,0,1,0|1,0,2]=4 1986 B11R0.155 C=C(COCCC)C(=O)OCC 34a_100000210258_100000755967 [0,0,0,0,1,0|3,0,0]=4 1987 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000210303_100000755967 [0,0,0,0,1,0|3,0,0]=4 1988 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000755967_100000210303 [0,0,0,0,1,0|3,0,0]=4 1989 B11R0.155 C=CCCNC(=O)C(=O)OCC 11a_100015191253_100014798877 [0,0,0,0,1,0|1,0,2]=4 1990 B11R0.155 C=CCCNC(=O)C(=O)OCC 1626a_100015191253_100014798877 [0,0,0,0,1,0|1,0,2]=4 1991 B11R0.155 C=CCCNC(=O)C(=O)OCC 240690a_100015191253_100014798877 [0,0,0,0,1,0|1,0,2]=4 1992 B11R0.155 CC#CCNC(=O)C(=O)OCC 11a_100000685387_100014798877 [0,0,0,0,1,0|1,0,2]=4 1993 B11R0.155 CC#CCNC(=O)C(=O)OCC 1626a_100000685387_100014798877 [0,0,0,0,1,0|1,0,2]=4 1994 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [0,0,0,0,1,0|3,0,0]=4 1995 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 11a_100000102301_100016988807 [0,0,0,0,1,0|3,0,0]=4 1996 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100016988807 [0,0,0,0,1,0|3,0,0]=4 1997 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 240690a_100000102301_100016988807 [0,0,0,0,1,0|3,0,0]=4 1998 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 527a_100000102301_100016988807 [0,0,0,0,1,0|3,0,0]=4 1999 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [0,0,0,0,1,0|2,0,0]=3 2000 B11R0.155 CCCCCC(=O)C(C)OCC 1458a_100000739345_100000210326 [0,0,0,0,1,0|2,0,1]=4 2001 B11R0.155 CCCCNC(=O)C(=O)NCC 1626a_100000102301_200011297158 [0,0,0,0,1,0|2,0,0]=3 2002 B11R0.155 CCCCNC(=O)C(=O)NCC 240690a_100000102301_200011297158 [0,0,0,0,1,0|2,0,0]=3 2003 B11R0.155 CCCCNC(=O)C(=O)NCC 527a_100000102301_200011297158 [0,0,0,0,1,0|2,0,0]=3 2004 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [0,0,0,0,1,0|1,0,0]=2 2005 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [0,0,0,0,1,0|1,0,0]=2 2006 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [0,0,0,0,1,0|1,0,0]=2 2007 B11R0.155 CCCCNC(=O)C(C)OCC 11a_100000102301_100000739345 [0,0,0,0,1,0|2,0,1]=4 2008 B11R0.155 CCCCNC(=O)C(C)OCC 1626a_100000102301_100000739345 [0,0,0,0,1,0|2,0,1]=4 2009 B11R0.155 CCCCNC(=O)C(C)OCC 240690a_100000102301_100000739345 [0,0,0,0,1,0|2,0,1]=4 2010 B11R0.155 CCCCNC(=O)C(C)OCC 34a_100121572206_100000735917 [0,0,0,0,1,0|2,0,1]=4 2011 B11R0.155 CCCCNC(=O)C(C)OCC 527a_100000102301_100000739345 [0,0,0,0,1,0|2,0,1]=4 2012 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [0,0,0,0,1,0|2,0,1]=4 2013 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [0,0,0,0,1,0|2,0,1]=4 2014 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [0,0,0,0,1,0|2,0,1]=4 2015 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [0,0,0,0,1,0|2,0,1]=4 2016 B11R0.155 CCCCOC(=O)C(C)NCC 2230a_100015525214_100000759602 [0,0,0,0,1,0|2,0,1]=4 2017 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100000038973_100000210202 [0,0,0,0,1,0|1,0,1]=3 2018 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100121572206_100000759602 [0,0,0,0,1,0|1,0,1]=3 2019 B11R0.155 CCCCOC(=O)C(C)OCC 7a_100000038973_100000210202 [0,0,0,0,1,0|1,0,1]=3 2020 B11R0.155 CCCCOC(=O)C(C)OCF 34a_100000038973_100015361967 [0,0,0,0,1,0|2,0,1]=4 2021 B11R0.155 CCCCOC(=O)C(C)OCF 7a_100000038973_100015361967 [0,0,0,0,1,0|2,0,1]=4 2022 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000210202_100000759602 [0,0,0,0,1,0|1,1,1]=4 2023 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000759602_100000210202 [0,0,0,0,1,0|1,1,1]=4 2024 B11R0.155 CCCCOC(C)C(=O)NCC 34a_100000210227_100000230173 [0,0,0,0,1,0|2,0,1]=4 2025 B11R0.155 CCCCOC(C)C(=O)NCC 7a_100000210227_100000230173 [0,0,0,0,1,0|2,0,1]=4 2026 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [0,0,0,0,1,0|1,0,1]=3 2027 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [0,0,0,0,1,0|1,0,1]=3 2028 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [0,0,0,0,1,0|1,0,1]=3 2029 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [0,0,0,0,1,0|1,0,1]=3 2030 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [0,0,0,0,1,0|1,0,1]=3 2031 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [0,0,0,0,1,0|1,1,1]=4 2032 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [0,0,0,0,1,0|1,1,1]=4 2033 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [0,0,0,0,1,0|1,1,1]=4 2034 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [0,0,0,0,1,0|1,1,1]=4 2035 B11R0.155 CCCNN=C(C)C(=O)OCC 4a_100000740057_100000209952 [0,0,0,0,1,0|3,0,0]=4 2036 B11R0.155 CCCNNC(=O)C(=O)NCC 22a_100000740057_200011297158 [0,0,0,0,1,0|3,0,0]=4 2037 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [0,0,0,0,1,0|2,0,0]=3 2038 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [0,0,0,0,1,0|2,0,0]=3 2039 B11R0.155 CCNC(=O)C(=O)CCCCF 1458a_200011297158_100000729493 [0,0,0,0,1,0|3,0,0]=4 2040 B11R0.155 CCNC(=O)C(=O)CCCCO 1458a_200011297158_100000210776 [0,0,0,0,1,0|3,0,0]=4 2041 B11R0.155 CCNC(=O)C(=O)CCCOC 1458a_200011297158_100000740836 [0,0,0,0,1,0|3,0,0]=4 2042 B11R0.155 CCNC(=O)C(=O)CCOCC 1458a_200011297158_100011215890 [0,0,0,0,1,0|3,0,0]=4 2043 B11R0.155 CCNC(=O)C(=O)CCSCC 1458a_200011297158_100000757381 [0,0,0,0,1,0|3,0,0]=4 2044 B11R0.155 CCNC(=O)C(=O)NCCCF 1626a_100015189416_200011297158 [0,0,0,0,1,0|3,0,0]=4 2045 B11R0.155 CCNC(=O)C(=O)NCCCF 240690a_100015189416_200011297158 [0,0,0,0,1,0|3,0,0]=4 2046 B11R0.155 CCNC(=O)C(=O)NCCCF 527a_100015189416_200011297158 [0,0,0,0,1,0|3,0,0]=4 2047 B11R0.155 CCNC(=O)C(=O)NCCCO 240690a_100000182051_200011297158 [0,0,0,0,1,0|3,0,0]=4 2048 B11R0.155 CCNC(=O)C(=O)NCCCO 527a_100000182051_200011297158 [0,0,0,0,1,0|3,0,0]=4 2049 B11R0.155 CCNC(=O)C(=O)NCCOC 1626a_100000209980_200011297158 [0,0,0,0,1,0|3,0,0]=4 2050 B11R0.155 CCNC(=O)C(=O)NCCOC 240690a_100000209980_200011297158 [0,0,0,0,1,0|3,0,0]=4 2051 B11R0.155 CCNC(=O)C(=O)NCCOC 527a_100000209980_200011297158 [0,0,0,0,1,0|3,0,0]=4 2052 B11R0.155 CCNC(=O)C(=O)NCCSC 1626a_100020590264_200011297158 [0,0,0,0,1,0|3,0,0]=4 2053 B11R0.155 CCNC(=O)C(=O)NCCSC 240690a_100020590264_200011297158 [0,0,0,0,1,0|3,0,0]=4 2054 B11R0.155 CCNC(=O)C(=O)NCCSC 527a_100020590264_200011297158 [0,0,0,0,1,0|3,0,0]=4 2055 B11R0.155 CCOC(=O)C(=O)CSCCF 62a_100000211299_100011217306 [0,0,0,0,1,0|3,0,0]=4 2056 B11R0.155 CCOC(=O)C(=O)CSCCF 62a_100011217306_100000211299 [0,0,0,0,1,0|3,0,0]=4 2057 B11R0.155 CCOC(=O)C(=O)CSCCO 62a_100000211299_100000211926 [0,0,0,0,1,0|3,0,0]=4 2058 B11R0.155 CCOC(=O)C(=O)CSCCO 62a_100000211926_100000211299 [0,0,0,0,1,0|3,0,0]=4 2059 B11R0.155 CCOC(=O)C(=O)CSCOC 62a_100000211299_100000766300 [0,0,0,0,1,0|3,0,0]=4 2060 B11R0.155 CCOC(=O)C(=O)CSCOC 62a_100000766300_100000211299 [0,0,0,0,1,0|3,0,0]=4 2061 B11R0.155 CCOC(=O)C(=O)CSCSC 62a_100000211299_100011218213 [0,0,0,0,1,0|3,0,0]=4 2062 B11R0.155 CCOC(=O)C(=O)CSCSC 62a_100011218213_100000211299 [0,0,0,0,1,0|3,0,0]=4 2063 B11R0.155 CCOC(=O)C(=O)NCCC#N 11a_100000720768_100014798877 [0,0,0,0,1,0|2,0,1]=4 2064 B11R0.155 CCOC(=O)C(=O)NCCC#N 1626a_100000720768_100014798877 [0,0,0,0,1,0|2,0,1]=4 2065 B11R0.155 CCOC(=O)C(=O)NCCC#N 240690a_100000720768_100014798877 [0,0,0,0,1,0|2,0,1]=4 2066 B11R0.155 CCOC(=O)C(=O)NCCCF 11a_100015189416_100014798877 [0,0,0,0,1,0|2,0,0]=3 2067 B11R0.155 CCOC(=O)C(=O)NCCCF 1626a_100015189416_100014798877 [0,0,0,0,1,0|2,0,0]=3 2068 B11R0.155 CCOC(=O)C(=O)NCCCF 240690a_100015189416_100014798877 [0,0,0,0,1,0|2,0,0]=3 2069 B11R0.155 CCOC(=O)C(=O)NCCCO 240690a_100000182051_100014798877 [0,0,0,0,1,0|2,0,0]=3 2070 B11R0.155 CCOC(=O)C(=O)NCCOC 1626a_100000209980_100014798877 [0,0,0,0,1,0|2,0,0]=3 2071 B11R0.155 CCOC(=O)C(=O)NCCOC 240690a_100000209980_100014798877 [0,0,0,0,1,0|2,0,0]=3 2072 B11R0.155 CCOC(=O)C(=O)NCCSC 11a_100020590264_100014798877 [0,0,0,0,1,0|2,0,0]=3 2073 B11R0.155 CCOC(=O)C(=O)NCCSC 1626a_100020590264_100014798877 [0,0,0,0,1,0|2,0,0]=3 2074 B11R0.155 CCOC(=O)C(=O)NCCSC 240690a_100020590264_100014798877 [0,0,0,0,1,0|2,0,0]=3 2075 B11R0.155 CCOC(=O)C(C)OCCCBr 34a_100011217188_100011216346 [0,0,0,0,1,0|2,0,1]=4 2076 B11R0.155 CCOC(=O)C(C)OCCCCl 34a_100000230001_100011216346 [0,0,0,0,1,0|2,0,1]=4 2077 B11R0.155 CCOC(=O)C(C)OCCCF 34a_100000759539_100011216346 [0,0,0,0,1,0|2,0,1]=4 2078 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [0,0,0,0,1,0|2,0,1]=4 2079 B11R0.155 CCOC(=O)C(C)OCCOC 34a_100000210237_100011216346 [0,0,0,0,1,0|2,0,1]=4 2080 B11R0.155 CCOC(=O)C(C)OCCSC 34a_100000230434_100011216346 [0,0,0,0,1,0|2,0,1]=4 2081 B11R0.155 CCOC(=O)C(C)OCCSC 7a_100000230434_100011216346 [0,0,0,0,1,0|2,0,1]=4 2082 B11R0.155 CCOC(=O)C(F)OCCCBr 34a_100011217188_100000760018 [0,0,0,0,1,0|2,0,1]=4 2083 B11R0.155 CCOC(=O)C(F)OCCCCl 34a_100000230001_100000760018 [0,0,0,0,1,0|2,0,1]=4 2084 B11R0.155 CCOC(=O)C(F)OCCCF 34a_100000759539_100000760018 [0,0,0,0,1,0|2,0,1]=4 2085 B11R0.155 CCOC(=O)C(F)OCCCN 34a_100000182051_100000760018 [0,0,0,0,1,0|2,0,1]=4 2086 B11R0.155 CCOC(=O)C(F)OCCOC 34a_100000210237_100000760018 [0,0,0,0,1,0|2,0,1]=4 2087 B11R0.155 CCOC(=O)C(F)OCCSC 34a_100000230434_100000760018 [0,0,0,0,1,0|2,0,1]=4 2088 B11R0.155 CCOC(=O)C(F)OCCSC 7a_100000230434_100000040065 [0,0,0,0,1,0|2,0,1]=4 2089 B11R0.155 CCOC(=O)[C@H](C)OCCCF 7a_100000751109_100011934791 [0,0,0,0,1,0|2,0,1]=4 2090 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [0,0,0,0,1,0|2,0,1]=4 2091 B11R0.155 CCOC(=O)[C@H](C)OCCOC 7a_100000751109_100000233755 [0,0,0,0,1,0|2,0,1]=4 2092 B11R0.155 CCOC(=O)[C@H](C)OCCSC 7a_100000751109_100000212216 [0,0,0,0,1,0|2,0,1]=4 2093 B13R0.193 C#CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000731252 [0,0,0,0,0,1|1,0,2]=4 2094 B13R0.193 C#CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000731252 [0,0,0,0,0,1|1,0,2]=4 2095 B13R0.193 C#CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000690238 [0,0,0,0,0,1|1,0,2]=4 2096 B13R0.193 C#CCCNC(=O)CCC(=O)OCC 11a_100000755551_100000183558 [0,0,0,0,0,1|1,0,2]=4 2097 B13R0.193 C#CCCNC(=O)CCC(=O)OCC 1626a_100000755551_100000183558 [0,0,0,0,0,1|1,0,2]=4 2098 B13R0.193 C#CCCNC(=O)CCC(=O)OCC 240690a_100000755551_100000183558 [0,0,0,0,0,1|1,0,2]=4 2099 B13R0.193 C#CCCNC(=O)CNC(=O)OCC 11a_100000755551_100000190774 [0,0,0,0,0,1|1,0,2]=4 2100 B13R0.193 C#CCCNC(=O)CNC(=O)OCC 1626a_100000755551_100000190774 [0,0,0,0,0,1|1,0,2]=4 2101 B13R0.193 C#CCCNC(=O)CNC(=O)OCC 240690a_100000755551_100000190774 [0,0,0,0,0,1|1,0,2]=4 2102 B13R0.193 C#CCCNC(=O)CNC(=O)OCC 527a_100000755551_100000190774 [0,0,0,0,0,1|1,0,2]=4 2103 B13R0.193 C=CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000757094 [0,0,0,0,0,1|1,0,2]=4 2104 B13R0.193 C=CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000757094 [0,0,0,0,0,1|1,0,2]=4 2105 B13R0.193 C=CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000766728 [0,0,0,0,0,1|1,0,2]=4 2106 B13R0.193 C=CCCNC(=O)CCC(=O)OCC 11a_100015191253_100000183558 [0,0,0,0,0,1|1,0,2]=4 2107 B13R0.193 C=CCCNC(=O)CCC(=O)OCC 1626a_100015191253_100000183558 [0,0,0,0,0,1|1,0,2]=4 2108 B13R0.193 C=CCCNC(=O)CCC(=O)OCC 240690a_100015191253_100000183558 [0,0,0,0,0,1|1,0,2]=4 2109 B13R0.193 C=CCCNC(=O)CNC(=O)OCC 11a_100015191253_100000190774 [0,0,0,0,0,1|1,0,2]=4 2110 B13R0.193 C=CCCNC(=O)CNC(=O)OCC 1626a_100015191253_100000190774 [0,0,0,0,0,1|1,0,2]=4 2111 B13R0.193 C=CCCNC(=O)CNC(=O)OCC 240690a_100015191253_100000190774 [0,0,0,0,0,1|1,0,2]=4 2112 B13R0.193 C=CCCNC(=O)CNC(=O)OCC 527a_100015191253_100000190774 [0,0,0,0,0,1|1,0,2]=4 2113 B13R0.193 CC#CCNC(=O)CCC(=O)OCC 11a_100000685387_100000183558 [0,0,0,0,0,1|1,0,2]=4 2114 B13R0.193 CC#CCNC(=O)CCC(=O)OCC 1626a_100000685387_100000183558 [0,0,0,0,0,1|1,0,2]=4 2115 B13R0.193 CC#CCNC(=O)CNC(=O)OCC 11a_100000685387_100000190774 [0,0,0,0,0,1|1,0,2]=4 2116 B13R0.193 CC#CCNC(=O)CNC(=O)OCC 1626a_100000685387_100000190774 [0,0,0,0,0,1|1,0,2]=4 2117 B13R0.193 CC#CCNC(=O)CNC(=O)OCC 527a_100000685387_100000190774 [0,0,0,0,0,1|1,0,2]=4 2118 B13R0.193 CC/C=C/CC(=O)NCC(=O)OCC 188690a_100000741813_100016274230 [0,0,0,0,0,1|1,0,2]=4 2119 B13R0.193 CC/C=C\CC(=O)CCC(=O)OCC 1458a_100000183558_100103147603 [0,0,0,0,0,1|1,0,2]=4 2120 B13R0.193 CC/C=C\CC(=O)CNC(=O)OCC 1458a_100000190774_100103147603 [0,0,0,0,0,1|1,0,2]=4 2121 B13R0.193 CCC#CCC(=O)CCC(=O)OCC 1458a_100000183558_100009813939 [0,0,0,0,0,1|1,0,2]=4 2122 B13R0.193 CCC#CCC(=O)CNC(=O)OCC 1458a_100000190774_100009813939 [0,0,0,0,0,1|1,0,2]=4 2123 B13R0.193 CCCC#CC(=O)COC(=O)CCC 1458a_200011218047_100000034017 [0,0,0,0,0,1|2,0,1]=4 2124 B13R0.193 CCCC#CC(=O)NCC(=O)NCC 240690a_100016988866_200011218047 [0,0,0,0,0,1|2,0,1]=4 2125 B13R0.193 CCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210303 [0,0,0,0,0,1|2,0,1]=4 2126 B13R0.193 CCCC(=O)NCC(=O)NCCOC 1626a_100000754632_100000211992 [0,0,0,0,0,1|3,0,0]=4 2127 B13R0.193 CCCC(=O)NCC(=O)NCCOC 240690a_100000754632_100000211992 [0,0,0,0,0,1|3,0,0]=4 2128 B13R0.193 CCCC(=O)NCC(=O)NCCOC 527a_100000754632_100000211992 [0,0,0,0,0,1|3,0,0]=4 2129 B13R0.193 CCCC(=O)OCC(=O)CCCCO 1458a_100000695505_100000034017 [0,0,0,0,0,1|3,0,0]=4 2130 B13R0.193 CCCC(=O)OCC(=O)CCCOC 1458a_100000741012_100000034017 [0,0,0,0,0,1|3,0,0]=4 2131 B13R0.193 CCCC(=O)OCC(=O)CCCSC 1458a_100000173376_100000034017 [0,0,0,0,0,1|3,0,0]=4 2132 B13R0.193 CCCC(=O)OCC(=O)CCOCC 1458a_100000749530_100000034017 [0,0,0,0,0,1|3,0,0]=4 2133 B13R0.193 CCCC(=O)OCC(=O)CCSCC 1458a_100000230768_100000034017 [0,0,0,0,0,1|3,0,0]=4 2134 B13R0.193 CCCC=CC(=O)COC(=O)CCC 1458a_100000212230_100000034017 [0,0,0,0,0,1|2,0,1]=4 2135 B13R0.193 CCCC=CC(=O)NCC(=O)NCC 11a_100016988866_100000212230 [0,0,0,0,0,1|2,0,1]=4 2136 B13R0.193 CCCC=CC(=O)NCC(=O)NCC 1626a_100016988866_100000212230 [0,0,0,0,0,1|2,0,1]=4 2137 B13R0.193 CCCC=CC(=O)NCC(=O)NCC 240690a_100016988866_100000212230 [0,0,0,0,0,1|2,0,1]=4 2138 B13R0.193 CCCC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000212230 [0,0,0,0,0,1|1,0,1]=3 2139 B13R0.193 CCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210326 [0,0,0,0,0,1|1,0,1]=3 2140 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [0,0,0,0,0,1|2,0,0]=3 2141 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [0,0,0,0,0,1|1,0,0]=2 2142 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [0,0,0,0,0,1|1,0,0]=2 2143 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [0,0,0,0,0,1|2,0,0]=3 2144 B13R0.193 CCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000212188 [0,0,0,0,0,1|2,0,0]=3 2145 B13R0.193 CCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000212188 [0,0,0,0,0,1|2,0,0]=3 2146 B13R0.193 CCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000212188 [0,0,0,0,0,1|2,0,0]=3 2147 B13R0.193 CCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000212188 [0,0,0,0,0,1|2,0,0]=3 2148 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [0,0,0,0,0,1|1,0,0]=2 2149 B13R0.193 CCCCCC(=O)NNC(=O)CCC 22a_100000189770_100000212188 [0,0,0,0,0,1|3,0,0]=4 2150 B13R0.193 CCCCCC(=O)NNC(=O)CCC 22a_100000189784_100000211992 [0,0,0,0,0,1|3,0,0]=4 2151 B13R0.193 CCCCCC(=O)NNC(=O)NCC 273464a_100015525214_100000189784 [0,0,0,0,0,1|3,0,0]=4 2152 B13R0.193 CCCCCC(=O)NNC(=O)NCC 512a_100000189784_100015525214 [0,0,0,0,0,1|3,0,0]=4 2153 B13R0.193 CCCCCC(=O)NNC(=O)NCC 512a_100015525214_100000189784 [0,0,0,0,0,1|3,0,0]=4 2154 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [0,0,0,0,0,1|2,0,1]=4 2155 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [0,0,0,0,0,1|2,0,1]=4 2156 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [0,0,0,0,0,1|2,0,1]=4 2157 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [0,0,0,0,0,1|2,0,1]=4 2158 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [0,0,0,0,0,1|2,0,1]=4 2159 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000223495_100011206558 [0,0,0,0,0,1|3,0,0]=4 2160 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210326 [0,0,0,0,0,1|3,0,0]=4 2161 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000223495_100011206558 [0,0,0,0,0,1|3,0,0]=4 2162 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210215 [0,0,0,0,0,1|3,0,0]=4 2163 B13R0.193 CCCCNC(=O)C=CC(=O)OCC 1626a_100000102301_100000210415 [0,0,0,0,0,1|1,0,1]=3 2164 B13R0.193 CCCCNC(=O)C=CC(=O)OCC 240690a_100000102301_100000210415 [0,0,0,0,0,1|1,0,1]=3 2165 B13R0.193 CCCCNC(=O)CCC(=O)NCC 11a_100000102301_100000199579 [0,0,0,0,0,1|2,0,0]=3 2166 B13R0.193 CCCCNC(=O)CCC(=O)NCC 1626a_100000102301_100000199579 [0,0,0,0,0,1|2,0,0]=3 2167 B13R0.193 CCCCNC(=O)CCC(=O)NCC 240690a_100000102301_100000199579 [0,0,0,0,0,1|2,0,0]=3 2168 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [0,0,0,0,0,1|1,0,0]=2 2169 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [0,0,0,0,0,1|1,0,0]=2 2170 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [0,0,0,0,0,1|1,0,0]=2 2171 B13R0.193 CCCCNC(=O)CNC(=O)OCC 11a_100000102301_100000190774 [0,0,0,0,0,1|1,0,0]=2 2172 B13R0.193 CCCCNC(=O)CNC(=O)OCC 1626a_100000102301_100000190774 [0,0,0,0,0,1|1,0,0]=2 2173 B13R0.193 CCCCNC(=O)CNC(=O)OCC 240690a_100000102301_100000190774 [0,0,0,0,0,1|1,0,0]=2 2174 B13R0.193 CCCCNC(=O)CNC(=O)OCC 527a_100000102301_100000190774 [0,0,0,0,0,1|1,0,0]=2 2175 B13R0.193 CCCCNC(=O)NCC(=O)NCC 2708a_100000102301_100016988866 [0,0,0,0,0,1|2,0,0]=3 2176 B13R0.193 CCCCNC(=O)NCC(=O)NCC 2708a_100016988866_100000102301 [0,0,0,0,0,1|2,0,0]=3 2177 B13R0.193 CCCCNC(=O)NCC(=O)NCC 273464a_100000102301_100016988866 [0,0,0,0,0,1|2,0,0]=3 2178 B13R0.193 CCCCNC(=O)NCC(=O)NCC 273464a_100016988866_100000102301 [0,0,0,0,0,1|2,0,0]=3 2179 B13R0.193 CCCCNC(=O)NCC(=O)NCC 512a_100000102301_100016988866 [0,0,0,0,0,1|2,0,0]=3 2180 B13R0.193 CCCCNC(=O)NCC(=O)NCC 512a_100016988866_100000102301 [0,0,0,0,0,1|2,0,0]=3 2181 B13R0.193 CCCCNC(=O)NNC(=O)CCC 273464a_100000102301_100000189770 [0,0,0,0,0,1|3,0,0]=4 2182 B13R0.193 CCCCNC(=O)NNC(=O)CCC 512a_100000189770_100000102301 [0,0,0,0,0,1|3,0,0]=4 2183 B13R0.193 CCCCNC(C)CCC(=O)OCC 2230a_100000102301_100000748298 [0,0,0,0,0,1|2,0,1]=4 2184 B13R0.193 CCCCNC(C)CCC(=O)OCC 7a_106832991798_100000748298 [0,0,0,0,0,1|2,0,1]=4 2185 B13R0.193 CCCCOC(=O)C=CC(=O)NCC 240690a_100015525214_100015195251 [0,0,0,0,0,1|1,0,1]=3 2186 B13R0.193 CCCCOC(=O)C=CC(=O)NNC 22a_100016993582_100015195251 [0,0,0,0,0,1|2,0,1]=4 2187 B13R0.193 CCCCOC(=O)CNC(C)CCC 2230a_100000741246_100000211628 [0,0,0,0,0,1|2,0,1]=4 2188 B13R0.193 CCCCOC(=O)COC(C)CCC 34a_100000764384_100000211628 [0,0,0,0,0,1|2,0,1]=4 2189 B13R0.193 CCCCOC(=O)COC(C)CCC 7a_100000764384_100000211628 [0,0,0,0,0,1|2,0,1]=4 2190 B13R0.193 CCCCOC(=O)CSC(C)CCC 62a_100000211628_100000766640 [0,0,0,0,0,1|2,0,1]=4 2191 B13R0.193 CCCCOC(=O)CSC(C)CCC 62a_100000766640_100000211628 [0,0,0,0,0,1|2,0,1]=4 2192 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [0,0,0,0,0,1|1,0,1]=3 2193 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [0,0,0,0,0,1|1,0,1]=3 2194 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000210211_100000748298 [0,0,0,0,0,1|1,1,1]=4 2195 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210210 [0,0,0,0,0,1|1,1,1]=4 2196 B13R0.193 CCCNN=C(C)CCC(=O)OCC 4a_100000740057_100011212338 [0,0,0,0,0,1|3,0,0]=4 2197 B13R0.193 CCCNNC(=O)CCC(=O)NCC 22a_100000740057_100000199579 [0,0,0,0,0,1|3,0,0]=4 2198 B13R0.193 CCCNNC(=O)CNC(=O)OCC 22a_100000740057_100000190774 [0,0,0,0,0,1|2,0,0]=3 2199 B13R0.193 CCCNNC(=O)NCC(=O)NCC 273464a_100016988866_100000740057 [0,0,0,0,0,1|3,0,0]=4 2200 B13R0.193 CCCNNC(=O)NCC(=O)NCC 512a_100000740057_100016988866 [0,0,0,0,0,1|3,0,0]=4 2201 B13R0.193 CCCNNC(=O)NCC(=O)NCC 512a_100016988866_100000740057 [0,0,0,0,0,1|3,0,0]=4 2202 B13R0.193 CCCOCC(=O)COC(=O)CCC 1458a_100000745993_100000034017 [0,0,0,0,0,1|3,0,0]=4 2203 B13R0.193 CCCOCC(=O)NCC(=O)NCC 11a_100016988866_100000745993 [0,0,0,0,0,1|3,0,0]=4 2204 B13R0.193 CCCOCC(=O)NCC(=O)NCC 1626a_100016988866_100000745993 [0,0,0,0,0,1|3,0,0]=4 2205 B13R0.193 CCCOCC(=O)NCC(=O)NCC 240690a_100016988866_100000745993 [0,0,0,0,0,1|3,0,0]=4 2206 B13R0.193 CCCOCC(=O)NCC(=O)NCC 527a_100016988866_100000745993 [0,0,0,0,0,1|3,0,0]=4 2207 B13R0.193 CCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000745993 [0,0,0,0,0,1|2,0,0]=3 2208 B13R0.193 CCCOCC(=O)NCC(=O)OCC 34a_100000210258_100011215850 [0,0,0,0,0,1|2,0,0]=3 2209 B13R0.193 CCCSCC(=O)COC(=O)CCC 1458a_100000217233_100000034017 [0,0,0,0,0,1|3,0,0]=4 2210 B13R0.193 CCCSCC(=O)NCC(=O)NCC 11a_100016988866_100000217233 [0,0,0,0,0,1|3,0,0]=4 2211 B13R0.193 CCCSCC(=O)NCC(=O)NCC 1626a_100016988866_100000217233 [0,0,0,0,0,1|3,0,0]=4 2212 B13R0.193 CCCSCC(=O)NCC(=O)NCC 240690a_100016988866_100000217233 [0,0,0,0,0,1|3,0,0]=4 2213 B13R0.193 CCCSCC(=O)NCC(=O)NCC 527a_100016988866_100000217233 [0,0,0,0,0,1|3,0,0]=4 2214 B13R0.193 CCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000217233 [0,0,0,0,0,1|2,0,0]=3 2215 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100000210303_100011215850 [0,0,0,0,0,1|2,0,0]=3 2216 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210303 [0,0,0,0,0,1|2,0,0]=3 2217 B13R0.193 CCNC(=O)CCC(=O)CCCCF 1458a_100000199579_100000729493 [0,0,0,0,0,1|3,0,0]=4 2218 B13R0.193 CCNC(=O)CCC(=O)CCCCO 1458a_100000199579_100000210776 [0,0,0,0,0,1|3,0,0]=4 2219 B13R0.193 CCNC(=O)CCC(=O)CCCOC 1458a_100000199579_100000740836 [0,0,0,0,0,1|3,0,0]=4 2220 B13R0.193 CCNC(=O)CCC(=O)CCOCC 1458a_100000199579_100011215890 [0,0,0,0,0,1|3,0,0]=4 2221 B13R0.193 CCNC(=O)CCC(=O)CCSCC 1458a_100000199579_100000757381 [0,0,0,0,0,1|3,0,0]=4 2222 B13R0.193 CCNC(=O)CCC(=O)NCCCF 11a_100015189416_100000199579 [0,0,0,0,0,1|3,0,0]=4 2223 B13R0.193 CCNC(=O)CCC(=O)NCCCF 1626a_100015189416_100000199579 [0,0,0,0,0,1|3,0,0]=4 2224 B13R0.193 CCNC(=O)CCC(=O)NCCCF 240690a_100015189416_100000199579 [0,0,0,0,0,1|3,0,0]=4 2225 B13R0.193 CCNC(=O)CCC(=O)NCCCO 240690a_100000182051_100000199579 [0,0,0,0,0,1|3,0,0]=4 2226 B13R0.193 CCNC(=O)CCC(=O)NCCOC 1626a_100000209980_100000199579 [0,0,0,0,0,1|3,0,0]=4 2227 B13R0.193 CCNC(=O)CCC(=O)NCCOC 240690a_100000209980_100000199579 [0,0,0,0,0,1|3,0,0]=4 2228 B13R0.193 CCNC(=O)CCC(=O)NCCSC 11a_100020590264_100000199579 [0,0,0,0,0,1|3,0,0]=4 2229 B13R0.193 CCNC(=O)CCC(=O)NCCSC 1626a_100020590264_100000199579 [0,0,0,0,0,1|3,0,0]=4 2230 B13R0.193 CCNC(=O)CCC(=O)NCCSC 240690a_100020590264_100000199579 [0,0,0,0,0,1|3,0,0]=4 2231 B13R0.193 CCNC(=O)CCC(=O)OCCC#N 240690a_100015525214_200009922858 [0,0,0,0,0,1|2,0,1]=4 2232 B13R0.193 CCNC(=O)CNC(=O)CCCCO 1626a_100016988866_100000695505 [0,0,0,0,0,1|3,0,0]=4 2233 B13R0.193 CCNC(=O)CNC(=O)CCCOC 11a_100016988866_100000741012 [0,0,0,0,0,1|3,0,0]=4 2234 B13R0.193 CCNC(=O)CNC(=O)CCCOC 1626a_100016988866_100000741012 [0,0,0,0,0,1|3,0,0]=4 2235 B13R0.193 CCNC(=O)CNC(=O)CCCOC 240690a_100016988866_100000741012 [0,0,0,0,0,1|3,0,0]=4 2236 B13R0.193 CCNC(=O)CNC(=O)CCCOC 527a_100016988866_100000741012 [0,0,0,0,0,1|3,0,0]=4 2237 B13R0.193 CCNC(=O)CNC(=O)CCCSC 11a_100016988866_100000173376 [0,0,0,0,0,1|3,0,0]=4 2238 B13R0.193 CCNC(=O)CNC(=O)CCCSC 1626a_100016988866_100000173376 [0,0,0,0,0,1|3,0,0]=4 2239 B13R0.193 CCNC(=O)CNC(=O)CCCSC 240690a_100016988866_100000173376 [0,0,0,0,0,1|3,0,0]=4 2240 B13R0.193 CCNC(=O)CNC(=O)CCCSC 527a_100016988866_100000173376 [0,0,0,0,0,1|3,0,0]=4 2241 B13R0.193 CCNC(=O)CNC(=O)CCOCC 11a_100016988866_100000749530 [0,0,0,0,0,1|3,0,0]=4 2242 B13R0.193 CCNC(=O)CNC(=O)CCOCC 1626a_100016988866_100000749530 [0,0,0,0,0,1|3,0,0]=4 2243 B13R0.193 CCNC(=O)CNC(=O)CCOCC 240690a_100016988866_100000749530 [0,0,0,0,0,1|3,0,0]=4 2244 B13R0.193 CCNC(=O)CNC(=O)CCOCC 527a_100016988866_100000749530 [0,0,0,0,0,1|3,0,0]=4 2245 B13R0.193 CCNC(=O)CNC(=O)CCSCC 11a_100016988866_100000230768 [0,0,0,0,0,1|3,0,0]=4 2246 B13R0.193 CCNC(=O)CNC(=O)CCSCC 1626a_100016988866_100000230768 [0,0,0,0,0,1|3,0,0]=4 2247 B13R0.193 CCNC(=O)CNC(=O)CCSCC 240690a_100016988866_100000230768 [0,0,0,0,0,1|3,0,0]=4 2248 B13R0.193 CCNC(=O)CNC(=O)CCSCC 527a_100016988866_100000230768 [0,0,0,0,0,1|3,0,0]=4 2249 B13R0.193 CCNC(=O)CNC(=O)NCCCF 2708a_100015189416_100016988866 [0,0,0,0,0,1|3,0,0]=4 2250 B13R0.193 CCNC(=O)CNC(=O)NCCCF 2708a_100016988866_100015189416 [0,0,0,0,0,1|3,0,0]=4 2251 B13R0.193 CCNC(=O)CNC(=O)NCCCF 273464a_100015189416_100016988866 [0,0,0,0,0,1|3,0,0]=4 2252 B13R0.193 CCNC(=O)CNC(=O)NCCCF 273464a_100016988866_100015189416 [0,0,0,0,0,1|3,0,0]=4 2253 B13R0.193 CCNC(=O)CNC(=O)NCCCF 512a_100015189416_100016988866 [0,0,0,0,0,1|3,0,0]=4 2254 B13R0.193 CCNC(=O)CNC(=O)NCCCF 512a_100016988866_100015189416 [0,0,0,0,0,1|3,0,0]=4 2255 B13R0.193 CCNC(=O)CNC(=O)NCCCO 2708a_100016988866_100000182051 [0,0,0,0,0,1|3,0,0]=4 2256 B13R0.193 CCNC(=O)CNC(=O)NCCCO 273464a_100000182051_100016988866 [0,0,0,0,0,1|3,0,0]=4 2257 B13R0.193 CCNC(=O)CNC(=O)NCCCO 273464a_100016988866_100000182051 [0,0,0,0,0,1|3,0,0]=4 2258 B13R0.193 CCNC(=O)CNC(=O)NCCCO 512a_100016988866_100000182051 [0,0,0,0,0,1|3,0,0]=4 2259 B13R0.193 CCNC(=O)CNC(=O)NCCOC 2708a_100016988866_100000209980 [0,0,0,0,0,1|3,0,0]=4 2260 B13R0.193 CCNC(=O)CNC(=O)NCCOC 273464a_100000209980_100016988866 [0,0,0,0,0,1|3,0,0]=4 2261 B13R0.193 CCNC(=O)CNC(=O)NCCOC 273464a_100016988866_100000209980 [0,0,0,0,0,1|3,0,0]=4 2262 B13R0.193 CCNC(=O)CNC(=O)NCCSC 2708a_100016988866_100020590264 [0,0,0,0,0,1|3,0,0]=4 2263 B13R0.193 CCNC(=O)CNC(=O)NCCSC 2708a_100020590264_100016988866 [0,0,0,0,0,1|3,0,0]=4 2264 B13R0.193 CCNC(=O)CNC(=O)NCCSC 273464a_100016988866_100020590264 [0,0,0,0,0,1|3,0,0]=4 2265 B13R0.193 CCNC(=O)CNC(=O)NCCSC 273464a_100020590264_100016988866 [0,0,0,0,0,1|3,0,0]=4 2266 B13R0.193 CCNC(=O)CNC(=O)NCCSC 512a_100016988866_100020590264 [0,0,0,0,0,1|3,0,0]=4 2267 B13R0.193 CCNC(=O)CNC(=O)NCCSC 512a_100020590264_100016988866 [0,0,0,0,0,1|3,0,0]=4 2268 B13R0.193 CCNC(=O)NCC(=O)NCCOC 2708a_100015525214_100000754632 [0,0,0,0,0,1|3,0,0]=4 2269 B13R0.193 CCNC(=O)NCC(=O)NCCOC 273464a_100000754632_100015525214 [0,0,0,0,0,1|3,0,0]=4 2270 B13R0.193 CCNC(=O)NCC(=O)NCCOC 273464a_100015525214_100000754632 [0,0,0,0,0,1|3,0,0]=4 2271 B13R0.193 CCNC(=O)NCC(=O)NCCOC 512a_100015525214_100000754632 [0,0,0,0,0,1|3,0,0]=4 2272 B13R0.193 CCOC(=O)C=CC(=O)CCCCF 1458a_100000210415_100000729493 [0,0,0,0,0,1|2,0,1]=4 2273 B13R0.193 CCOC(=O)C=CC(=O)CCCCO 1458a_100000210415_100000210776 [0,0,0,0,0,1|2,0,1]=4 2274 B13R0.193 CCOC(=O)C=CC(=O)CCCOC 1458a_100000210415_100000740836 [0,0,0,0,0,1|2,0,1]=4 2275 B13R0.193 CCOC(=O)C=CC(=O)CCSCC 1458a_100000210415_100000757381 [0,0,0,0,0,1|2,0,1]=4 2276 B13R0.193 CCOC(=O)C=CC(=O)NCCCF 1626a_100015189416_100000210415 [0,0,0,0,0,1|2,0,1]=4 2277 B13R0.193 CCOC(=O)C=CC(=O)NCCCF 240690a_100015189416_100000210415 [0,0,0,0,0,1|2,0,1]=4 2278 B13R0.193 CCOC(=O)C=CC(=O)NCCCO 240690a_100000182051_100000210415 [0,0,0,0,0,1|2,0,1]=4 2279 B13R0.193 CCOC(=O)C=CC(=O)NCCOC 1626a_100000209980_100000210415 [0,0,0,0,0,1|2,0,1]=4 2280 B13R0.193 CCOC(=O)C=CC(=O)NCCOC 240690a_100000209980_100000210415 [0,0,0,0,0,1|2,0,1]=4 2281 B13R0.193 CCOC(=O)C=CC(=O)NCCSC 1626a_100020590264_100000210415 [0,0,0,0,0,1|2,0,1]=4 2282 B13R0.193 CCOC(=O)C=CC(=O)NCCSC 240690a_100020590264_100000210415 [0,0,0,0,0,1|2,0,1]=4 2283 B13R0.193 CCOC(=O)CCC(=O)CCCC#N 1458a_100000183558_100000211468 [0,0,0,0,0,1|2,0,1]=4 2284 B13R0.193 CCOC(=O)CCC(=O)CCCCF 1458a_100000183558_100000729493 [0,0,0,0,0,1|2,0,0]=3 2285 B13R0.193 CCOC(=O)CCC(=O)CCCCO 1458a_100000183558_100000210776 [0,0,0,0,0,1|2,0,0]=3 2286 B13R0.193 CCOC(=O)CCC(=O)CCCOC 1458a_100000183558_100000740836 [0,0,0,0,0,1|2,0,0]=3 2287 B13R0.193 CCOC(=O)CCC(=O)CCSCC 1458a_100000183558_100000757381 [0,0,0,0,0,1|2,0,0]=3 2288 B13R0.193 CCOC(=O)CCC(=O)NCCC#N 11a_100000720768_100000183558 [0,0,0,0,0,1|2,0,1]=4 2289 B13R0.193 CCOC(=O)CCC(=O)NCCC#N 1626a_100000720768_100000183558 [0,0,0,0,0,1|2,0,1]=4 2290 B13R0.193 CCOC(=O)CCC(=O)NCCC#N 240690a_100000720768_100000183558 [0,0,0,0,0,1|2,0,1]=4 2291 B13R0.193 CCOC(=O)CCC(=O)NCCCF 11a_100015189416_100000183558 [0,0,0,0,0,1|2,0,0]=3 2292 B13R0.193 CCOC(=O)CCC(=O)NCCCF 1626a_100015189416_100000183558 [0,0,0,0,0,1|2,0,0]=3 2293 B13R0.193 CCOC(=O)CCC(=O)NCCCF 240690a_100015189416_100000183558 [0,0,0,0,0,1|2,0,0]=3 2294 B13R0.193 CCOC(=O)CCC(=O)NCCCO 240690a_100000182051_100000183558 [0,0,0,0,0,1|2,0,0]=3 2295 B13R0.193 CCOC(=O)CCC(=O)NCCOC 1626a_100000209980_100000183558 [0,0,0,0,0,1|2,0,0]=3 2296 B13R0.193 CCOC(=O)CCC(=O)NCCOC 240690a_100000209980_100000183558 [0,0,0,0,0,1|2,0,0]=3 2297 B13R0.193 CCOC(=O)CCC(=O)NCCSC 11a_100020590264_100000183558 [0,0,0,0,0,1|2,0,0]=3 2298 B13R0.193 CCOC(=O)CCC(=O)NCCSC 1626a_100020590264_100000183558 [0,0,0,0,0,1|2,0,0]=3 2299 B13R0.193 CCOC(=O)CCC(=O)NCCSC 240690a_100020590264_100000183558 [0,0,0,0,0,1|2,0,0]=3 2300 B13R0.193 CCOC(=O)CCC(C)OCCCBr 34a_100011217188_100000748298 [0,0,0,0,0,1|2,0,1]=4 2301 B13R0.193 CCOC(=O)CCC(C)OCCCCl 34a_100000230001_100000748298 [0,0,0,0,0,1|2,0,1]=4 2302 B13R0.193 CCOC(=O)CCC(C)OCCCF 34a_100000759539_100000748298 [0,0,0,0,0,1|2,0,1]=4 2303 B13R0.193 CCOC(=O)CCC(C)OCCCN 34a_100000182051_100000748298 [0,0,0,0,0,1|2,0,1]=4 2304 B13R0.193 CCOC(=O)CCC(C)OCCOC 34a_100000210237_100000748298 [0,0,0,0,0,1|2,0,1]=4 2305 B13R0.193 CCOC(=O)CCC(C)OCCSC 34a_100000230434_100000748298 [0,0,0,0,0,1|2,0,1]=4 2306 B13R0.193 CCOC(=O)CCC(C)OCCSC 7a_100000230434_100000748298 [0,0,0,0,0,1|2,0,1]=4 2307 B13R0.193 CCOC(=O)CNC(=O)C=CCOC 188690a_100000741813_100016285016 [0,0,0,0,0,1|2,0,1]=4 2308 B13R0.193 CCOC(=O)CNC(=O)CCCCO 188690a_100000741813_100000695505 [0,0,0,0,0,1|2,0,0]=3 2309 B13R0.193 CCOC(=O)CNC(=O)CCCOC 188690a_100000741813_100000741012 [0,0,0,0,0,1|2,0,0]=3 2310 B13R0.193 CCOC(=O)CNC(=O)CCCSC 188690a_100000741813_100000173376 [0,0,0,0,0,1|2,0,0]=3 2311 B13R0.193 CCOC(=O)CNC(=O)CCSCC 188690a_100000741813_100000230768 [0,0,0,0,0,1|2,0,0]=3 2312 B13R0.193 CCOC(=O)CNC(=O)CNCCF 34a_100000724931_100011215850 [0,0,0,0,0,1|3,0,0]=4 2313 B13R0.193 CCOC(=O)CNC(=O)CNCCO 2230a_100016997473_100011215850 [0,0,0,0,0,1|3,0,0]=4 2314 B13R0.193 CCOC(=O)CNC(=O)CNCCO 34a_100016990907_100011215850 [0,0,0,0,0,1|3,0,0]=4 2315 B13R0.193 CCOC(=O)CNC(=O)COCCBr 34a_100000211926_100011215850 [0,0,0,0,0,1|3,0,0]=4 2316 B13R0.193 CCOC(=O)CNC(=O)COCCN 34a_100000210304_100011215850 [0,0,0,0,0,1|3,0,0]=4 2317 B13R0.193 CCOC(=O)CNC(=O)COCCO 188690a_100000741813_100000708028 [0,0,0,0,0,1|3,0,0]=4 2318 B13R0.193 CCOC(=O)CNC(=O)CSCCF 62a_100011215850_100011217306 [0,0,0,0,0,1|3,0,0]=4 2319 B13R0.193 CCOC(=O)CNC(=O)CSCCF 62a_100011217306_100011215850 [0,0,0,0,0,1|3,0,0]=4 2320 B13R0.193 CCOC(=O)CNC(=O)CSCCO 62a_100000211926_100011215850 [0,0,0,0,0,1|3,0,0]=4 2321 B13R0.193 CCOC(=O)CNC(=O)CSCCO 62a_100011215850_100000211926 [0,0,0,0,0,1|3,0,0]=4 2322 B13R0.193 CCOC(=O)CNC(=O)CSCOC 62a_100000766300_100011215850 [0,0,0,0,0,1|3,0,0]=4 2323 B13R0.193 CCOC(=O)CNC(=O)CSCOC 62a_100011215850_100000766300 [0,0,0,0,0,1|3,0,0]=4 2324 B13R0.193 CCOC(=O)CNC(=O)CSCSC 62a_100011215850_100011218213 [0,0,0,0,0,1|3,0,0]=4 2325 B13R0.193 CCOC(=O)CNC(=O)CSCSC 62a_100011218213_100011215850 [0,0,0,0,0,1|3,0,0]=4 2326 B13R0.193 CCOC(=O)NCC(=O)CCCC#N 1458a_100000190774_100000211468 [0,0,0,0,0,1|2,0,1]=4 2327 B13R0.193 CCOC(=O)NCC(=O)CCCCF 1458a_100000190774_100000729493 [0,0,0,0,0,1|2,0,0]=3 2328 B13R0.193 CCOC(=O)NCC(=O)CCCCO 1458a_100000190774_100000210776 [0,0,0,0,0,1|2,0,0]=3 2329 B13R0.193 CCOC(=O)NCC(=O)CCCOC 1458a_100000190774_100000740836 [0,0,0,0,0,1|2,0,0]=3 2330 B13R0.193 CCOC(=O)NCC(=O)CCSCC 1458a_100000190774_100000757381 [0,0,0,0,0,1|2,0,0]=3 2331 B13R0.193 CCOC(=O)NCC(=O)NCCC#N 11a_100000720768_100000190774 [0,0,0,0,0,1|2,0,1]=4 2332 B13R0.193 CCOC(=O)NCC(=O)NCCC#N 1626a_100000720768_100000190774 [0,0,0,0,0,1|2,0,1]=4 2333 B13R0.193 CCOC(=O)NCC(=O)NCCC#N 240690a_100000720768_100000190774 [0,0,0,0,0,1|2,0,1]=4 2334 B13R0.193 CCOC(=O)NCC(=O)NCCC#N 527a_100000720768_100000190774 [0,0,0,0,0,1|2,0,1]=4 2335 B13R0.193 CCOC(=O)NCC(=O)NCCCF 11a_100015189416_100000190774 [0,0,0,0,0,1|2,0,0]=3 2336 B13R0.193 CCOC(=O)NCC(=O)NCCCF 1626a_100015189416_100000190774 [0,0,0,0,0,1|2,0,0]=3 2337 B13R0.193 CCOC(=O)NCC(=O)NCCCF 240690a_100015189416_100000190774 [0,0,0,0,0,1|2,0,0]=3 2338 B13R0.193 CCOC(=O)NCC(=O)NCCCF 527a_100015189416_100000190774 [0,0,0,0,0,1|2,0,0]=3 2339 B13R0.193 CCOC(=O)NCC(=O)NCCCO 240690a_100000182051_100000190774 [0,0,0,0,0,1|2,0,0]=3 2340 B13R0.193 CCOC(=O)NCC(=O)NCCCO 527a_100000182051_100000190774 [0,0,0,0,0,1|2,0,0]=3 2341 B13R0.193 CCOC(=O)NCC(=O)NCCOC 1626a_100000209980_100000190774 [0,0,0,0,0,1|2,0,0]=3 2342 B13R0.193 CCOC(=O)NCC(=O)NCCOC 240690a_100000209980_100000190774 [0,0,0,0,0,1|2,0,0]=3 2343 B13R0.193 CCOC(=O)NCC(=O)NCCOC 527a_100000209980_100000190774 [0,0,0,0,0,1|2,0,0]=3 2344 B13R0.193 CCOC(=O)NCC(=O)NCCSC 11a_100020590264_100000190774 [0,0,0,0,0,1|2,0,0]=3 2345 B13R0.193 CCOC(=O)NCC(=O)NCCSC 1626a_100020590264_100000190774 [0,0,0,0,0,1|2,0,0]=3 2346 B13R0.193 CCOC(=O)NCC(=O)NCCSC 240690a_100020590264_100000190774 [0,0,0,0,0,1|2,0,0]=3 2347 B13R0.193 CCOC(=O)NCC(=O)NCCSC 527a_100020590264_100000190774 [0,0,0,0,0,1|2,0,0]=3 2348 B13R0.193 CCOC(=O)NCC(=O)NNCCO 22a_100000210001_100000190774 [0,0,0,0,0,1|3,0,0]=4 2349 B13R0.193 CCOCCC(=O)C=CC(=O)OCC 1458a_100000210415_100011215890 [0,0,0,0,0,1|2,0,1]=4 2350 B13R0.193 CCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215890 [0,0,0,0,0,1|2,0,0]=3 2351 B13R0.193 CCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215890 [0,0,0,0,0,1|2,0,0]=3 2352 B13R0.193 CCOCCC(=O)NCC(=O)OCC 188690a_100000741813_100000749530 [0,0,0,0,0,1|2,0,0]=3 2353 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [2,0,0,0,0,0|0,0,2]=4 2354 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [2,0,0,0,0,0|0,0,2]=4 2355 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [2,0,0,0,0,0|0,0,2]=4 2356 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [2,0,0,0,0,0|0,0,2]=4 2357 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [2,0,0,0,0,0|1,0,1]=4 2358 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [2,0,0,0,0,0|0,0,2]=4 2359 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [2,0,0,0,0,0|1,0,1]=4 2360 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [2,0,0,0,0,0|1,0,1]=4 2361 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [2,0,0,0,0,0|1,0,1]=4 2362 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [2,0,0,0,0,0|1,0,1]=4 2363 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [2,0,0,0,0,0|1,0,1]=4 2364 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [2,0,0,0,0,0|2,0,0]=4 2365 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [2,0,0,0,0,0|2,0,0]=4 2366 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [2,0,0,0,0,0|1,0,1]=4 2367 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [2,0,0,0,0,0|1,0,1]=4 2368 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [2,0,0,0,0,0|1,0,1]=4 2369 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [2,0,0,0,0,0|1,0,1]=4 2370 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [2,0,0,0,0,0|1,0,1]=4 2371 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [2,0,0,0,0,0|1,0,1]=4 2372 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [2,0,0,0,0,0|1,0,1]=4 2373 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [2,0,0,0,0,0|1,0,1]=4 2374 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [2,0,0,0,0,0|2,0,0]=4 2375 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [2,0,0,0,0,0|2,0,0]=4 2376 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [2,0,0,0,0,0|2,0,0]=4 2377 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [2,0,0,0,0,0|2,0,0]=4 2378 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [2,0,0,0,0,0|2,0,0]=4 2379 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [2,0,0,0,0,0|1,0,0]=3 2380 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [2,0,0,0,0,0|1,0,0]=3 2381 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [2,0,0,0,0,0|1,0,0]=3 2382 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [2,0,0,0,0,0|1,0,0]=3 2383 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [2,0,0,0,0,0|1,0,0]=3 2384 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [2,0,0,0,0,0|2,0,0]=4 2385 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [2,0,0,0,0,0|2,0,0]=4 2386 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [2,0,0,0,0,0|2,0,0]=4 2387 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [2,0,0,0,0,0|2,0,0]=4 2388 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [2,0,0,0,0,0|2,0,0]=4 2389 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [2,0,0,0,0,0|1,0,0]=3 2390 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [2,0,0,0,0,0|1,0,0]=3 2391 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [2,0,0,0,0,0|1,0,0]=3 2392 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [2,0,0,0,0,0|1,0,0]=3 2393 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [2,0,0,0,0,0|1,0,0]=3 2394 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [2,0,0,0,0,0|2,0,0]=4 2395 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [2,0,0,0,0,0|2,0,0]=4 2396 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [2,0,0,0,0,0|2,0,0]=4 2397 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [2,0,0,0,0,0|0,0,0]=2 2398 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [2,0,0,0,0,0|0,0,0]=2 2399 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [2,0,0,0,0,0|1,0,1]=4 2400 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [2,0,0,0,0,0|1,0,1]=4 2401 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [2,0,0,0,0,0|1,1,0]=4 2402 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [2,0,0,0,0,0|1,1,0]=4 2403 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [2,0,0,0,0,0|1,1,0]=4 2404 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [2,0,0,0,0,0|1,1,0]=4 2405 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [2,0,0,0,0,0|1,1,0]=4 2406 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [2,0,0,0,0,0|1,1,0]=4 2407 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [2,0,0,0,0,0|1,1,0]=4 2408 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [2,0,0,0,0,0|1,1,0]=4 2409 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [2,0,0,0,0,0|0,1,0]=3 2410 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [2,0,0,0,0,0|0,1,0]=3 2411 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [2,0,0,0,0,0|2,0,0]=4 2412 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [2,0,0,0,0,0|1,0,1]=4 2413 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [2,0,0,0,0,0|0,0,1]=3 2414 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [2,0,0,0,0,0|0,1,1]=4 2415 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [2,0,0,0,0,0|0,1,1]=4 2416 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [2,0,0,0,0,0|2,0,0]=4 2417 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [2,0,0,0,0,0|2,0,0]=4 2418 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [2,0,0,0,0,0|2,0,0]=4 2419 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [2,0,0,0,0,0|2,0,0]=4 2420 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [2,0,0,0,0,0|2,0,0]=4 2421 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [2,0,0,0,0,0|2,0,0]=4 2422 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [2,0,0,0,0,0|2,0,0]=4 2423 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [2,0,0,0,0,0|2,0,0]=4 2424 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [2,0,0,0,0,0|2,0,0]=4 2425 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [2,0,0,0,0,0|2,0,0]=4 2426 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [2,0,0,0,0,0|1,0,1]=4 2427 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [2,0,0,0,0,0|1,0,1]=4 2428 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [2,0,0,0,0,0|1,0,1]=4 2429 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [2,0,0,0,0,0|1,0,1]=4 2430 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [2,0,0,0,0,0|1,0,1]=4 2431 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [2,0,0,0,0,0|1,0,1]=4 2432 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [2,0,0,0,0,0|1,0,1]=4 2433 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [2,0,0,0,0,0|1,0,1]=4 2434 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [2,0,0,0,0,0|1,0,1]=4 2435 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [2,0,0,0,0,0|1,0,1]=4 2436 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [2,0,0,0,0,0|1,0,1]=4 2437 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [2,0,0,0,0,0|1,0,1]=4 2438 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [2,0,0,0,0,0|1,0,1]=4 2439 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [2,0,0,0,0,0|1,0,1]=4 2440 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [2,0,0,0,0,0|1,0,1]=4 2441 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [2,0,0,0,0,0|1,0,1]=4 2442 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [2,0,0,0,0,0|2,0,0]=4 2443 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [2,0,0,0,0,0|2,0,0]=4 2444 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [2,0,0,0,0,0|2,0,0]=4 2445 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [2,0,0,0,0,0|2,0,0]=4 2446 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [2,0,0,0,0,0|1,0,0]=3 2447 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [2,0,0,0,0,0|1,0,0]=3 2448 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [2,0,0,0,0,0|1,0,0]=3 2449 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [2,0,0,0,0,0|1,0,0]=3 2450 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [2,0,0,0,0,0|1,0,0]=3 2451 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [2,0,0,0,0,0|1,0,0]=3 2452 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [2,0,0,0,0,0|1,0,0]=3 2453 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [2,0,0,0,0,0|1,0,0]=3 2454 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [2,0,0,0,0,0|1,0,0]=3 2455 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [2,0,0,0,0,0|2,0,0]=4 2456 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [2,0,0,0,0,0|1,0,0]=3 2457 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [2,0,0,0,0,0|1,0,0]=3 2458 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [2,0,0,0,0,0|1,0,0]=3 2459 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [2,0,0,0,0,0|1,0,0]=3 2460 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [2,0,0,0,0,0|1,0,0]=3 2461 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [2,0,0,0,0,0|1,0,0]=3 2462 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [2,0,0,0,0,0|1,1,0]=4 2463 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [2,0,0,0,0,0|1,1,0]=4 2464 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [2,0,0,0,0,0|1,1,0]=4 2465 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [2,0,0,0,0,0|1,1,0]=4 2466 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [2,0,0,0,0,0|1,1,0]=4 2467 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [2,0,0,0,0,0|1,1,0]=4 2468 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [2,0,0,0,0,0|1,1,0]=4 2469 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [2,0,0,0,0,0|1,1,0]=4 2470 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [2,0,0,0,0,0|1,1,0]=4 2471 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [2,0,0,0,0,0|1,1,0]=4 2472 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [2,0,0,0,0,0|1,0,1]=4 2473 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [2,0,0,0,0,0|1,0,1]=4 2474 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [2,0,0,0,0,0|1,0,1]=4 2475 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [2,0,0,0,0,0|1,1,0]=4 2476 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [2,0,0,0,0,0|1,1,0]=4 2477 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [2,0,0,0,0,0|1,0,1]=4 2478 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [2,0,0,0,0,0|1,0,1]=4 2479 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [2,0,0,0,0,0|1,0,1]=4 2480 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [2,0,0,0,0,0|1,0,1]=4 2481 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [2,0,0,0,0,0|1,0,1]=4 2482 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [2,0,0,0,0,0|1,0,1]=4 2483 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [2,0,0,0,0,0|0,0,2]=4 2484 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [2,0,0,0,0,0|0,0,2]=4 2485 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [2,0,0,0,0,0|0,0,2]=4 2486 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [2,0,0,0,0,0|0,0,2]=4 2487 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [2,0,0,0,0,0|0,0,2]=4 2488 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [2,0,0,0,0,0|0,0,2]=4 2489 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [2,0,0,0,0,0|1,0,1]=4 2490 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [2,0,0,0,0,0|1,0,1]=4 2491 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [2,0,0,0,0,0|1,0,0]=3 2492 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [2,0,0,0,0,0|2,0,0]=4 2493 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [2,0,0,0,0,0|2,0,0]=4 2494 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [2,0,0,0,0,0|2,0,0]=4 2495 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [2,0,0,0,0,0|2,0,0]=4 2496 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [2,0,0,0,0,0|2,0,0]=4 2497 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [2,0,0,0,0,0|1,0,1]=4 2498 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [2,0,0,0,0,0|1,0,1]=4 2499 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [2,0,0,0,0,0|1,0,1]=4 2500 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [2,0,0,0,0,0|2,0,0]=4 2501 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [2,0,0,0,0,0|2,0,0]=4 2502 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [2,0,0,0,0,0|2,0,0]=4 2503 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [2,0,0,0,0,0|2,0,0]=4 2504 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [2,0,0,0,0,0|2,0,0]=4 2505 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [2,0,0,0,0,0|2,0,0]=4 2506 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [2,0,0,0,0,0|2,0,0]=4 2507 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [2,0,0,0,0,0|2,0,0]=4 2508 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [2,0,0,0,0,0|2,0,0]=4 2509 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [2,0,0,0,0,0|1,0,1]=4 2510 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [2,0,0,0,0,0|1,0,1]=4 2511 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [2,0,0,0,0,0|0,0,1]=3 2512 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [2,0,0,0,0,0|1,0,1]=4 2513 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [2,0,0,0,0,0|1,0,1]=4 2514 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [2,0,0,0,0,0|1,0,1]=4 2515 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [2,0,0,0,0,0|1,0,1]=4 2516 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [2,0,0,0,0,0|0,0,1]=3 2517 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [2,0,0,0,0,0|0,0,1]=3 2518 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [2,0,0,0,0,0|0,1,1]=4 2519 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [2,0,0,0,0,0|0,1,1]=4 2520 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [2,0,0,0,0,0|2,0,0]=4 2521 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [2,0,0,0,0,0|1,0,1]=4 2522 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [2,0,0,0,0,0|1,0,1]=4 2523 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [2,0,0,0,0,0|1,0,1]=4 2524 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [2,0,0,0,0,0|1,0,1]=4 2525 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [2,0,0,0,0,0|1,0,1]=4 2526 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [2,0,0,0,0,0|1,0,1]=4 2527 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [2,0,0,0,0,0|1,0,1]=4 2528 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [2,0,0,0,0,0|0,0,2]=4 2529 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [2,0,0,0,0,0|0,0,2]=4 2530 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [2,0,0,0,0,0|2,0,0]=4 2531 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [2,0,0,0,0,0|2,0,0]=4 2532 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [2,0,0,0,0,0|2,0,0]=4 2533 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [2,0,0,0,0,0|2,0,0]=4 2534 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [2,0,0,0,0,0|0,0,2]=4 2535 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [2,0,0,0,0,0|0,0,2]=4 2536 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [2,0,0,0,0,0|0,0,2]=4 2537 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [2,0,0,0,0,0|1,0,1]=4 2538 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [2,0,0,0,0,0|0,0,2]=4 2539 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [2,0,0,0,0,0|1,0,1]=4 2540 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [2,0,0,0,0,0|0,0,2]=4 2541 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [2,0,0,0,0,0|1,0,0]=3 2542 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [2,0,0,0,0,0|2,0,0]=4 2543 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [2,0,0,0,0,0|2,0,0]=4 2544 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [2,0,0,0,0,0|2,0,0]=4 2545 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [2,0,0,0,0,0|1,0,0]=3 2546 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [2,0,0,0,0,0|2,0,0]=4 2547 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [2,0,0,0,0,0|0,0,0]=2 2548 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [2,0,0,0,0,0|0,0,0]=2 2549 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [2,0,0,0,0,0|2,0,0]=4 2550 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [2,0,0,0,0,0|2,0,0]=4 2551 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [2,0,0,0,0,0|2,0,0]=4 2552 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [2,0,0,0,0,0|2,0,0]=4 2553 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [2,0,0,0,0,0|2,0,0]=4 2554 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [2,0,0,0,0,0|2,0,0]=4 2555 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [2,0,0,0,0,0|2,0,0]=4 2556 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [2,0,0,0,0,0|2,0,0]=4 2557 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [2,0,0,0,0,0|2,0,0]=4 2558 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [2,0,0,0,0,0|2,0,0]=4 2559 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [2,0,0,0,0,0|2,0,0]=4 2560 B10R0.2 CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183381 [2,0,0,0,0,0|2,0,0]=4 2561 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [2,0,0,0,0,0|2,0,0]=4 2562 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [2,0,0,0,0,0|2,0,0]=4 2563 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [2,0,0,0,0,0|1,0,0]=3 2564 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [2,0,0,0,0,0|1,0,1]=4 2565 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [2,0,0,0,0,0|1,0,1]=4 2566 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [2,0,0,0,0,0|1,0,0]=3 2567 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [2,0,0,0,0,0|1,0,0]=3 2568 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [2,0,0,0,0,0|1,0,0]=3 2569 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [2,0,0,0,0,0|1,0,0]=3 2570 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [2,0,0,0,0,0|1,0,0]=3 2571 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [2,0,0,0,0,0|1,0,0]=3 2572 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [2,0,0,0,0,0|1,0,0]=3 2573 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [2,0,0,0,0,0|1,0,0]=3 2574 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [2,0,0,0,0,0|1,0,0]=3 2575 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [2,0,0,0,0,0|2,0,0]=4 2576 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [2,0,0,0,0,0|1,0,1]=4 2577 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [2,0,0,0,0,0|2,0,0]=4 2578 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [2,0,0,0,0,0|2,0,0]=4 2579 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [2,0,0,0,0,0|2,0,0]=4 2580 B10R0.18 C#CC(=O)CC(=O)OCCC 1458a_100000211873_200011215008 [2,0,0,0,0,0|0,0,2]=4 2581 B10R0.18 C#CCCC(=O)CC(=O)CC 1458a_100000692101_100000747405 [2,0,0,0,0,0|0,0,2]=4 2582 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000211351_100000753159 [2,0,0,0,0,0|0,0,2]=4 2583 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000692101_100000747449 [2,0,0,0,0,0|0,0,2]=4 2584 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [2,0,0,0,0,0|0,0,2]=4 2585 B10R0.18 C=C(CC(=O)CC)OCOC 1458a_100000210414_100000042856 [2,0,0,0,0,0|2,0,0]=4 2586 B10R0.18 C=CC(=O)CC(=O)OCCC 1458a_100000185746_200011215008 [2,0,0,0,0,0|0,0,2]=4 2587 B10R0.18 C=CCCC(=O)CC(=O)CC 1458a_100000749702_100000747405 [2,0,0,0,0,0|0,0,2]=4 2588 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [2,0,0,0,0,0|0,0,2]=4 2589 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [2,0,0,0,0,0|0,0,2]=4 2590 B10R0.18 C=CCOC(=O)CC(=O)CC 1458a_100000210414_100000033060 [2,0,0,0,0,0|0,0,2]=4 2591 B10R0.18 CC#CCC(=O)CC(=O)OC 1458a_100000211351_100000748600 [2,0,0,0,0,0|0,0,2]=4 2592 B10R0.18 CC=CCC(=O)CC(=O)CC 1458a_100121576822_100000747405 [2,0,0,0,0,0|0,0,2]=4 2593 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [2,0,0,0,0,0|0,0,2]=4 2594 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [2,0,0,0,0,0|0,0,2]=4 2595 B10R0.18 CCC#CC(=O)CC(=O)CC 1458a_100011827653_100000747405 [2,0,0,0,0,0|0,0,2]=4 2596 B10R0.18 CCC#CC(=O)CC(=O)OC 1458a_100011827653_100000747449 [2,0,0,0,0,0|0,0,2]=4 2597 B10R0.18 CCC(=O)CC(=O)CCC#N 1458a_100011934036_100000747405 [2,0,0,0,0,0|1,0,1]=4 2598 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [2,0,0,0,0,0|1,0,0]=3 2599 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [2,0,0,0,0,0|1,0,0]=3 2600 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [2,0,0,0,0,0|0,0,2]=4 2601 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [2,0,0,0,0,0|0,0,2]=4 2602 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [2,0,0,0,0,0|1,0,1]=4 2603 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [2,0,0,0,0,0|0,0,0]=2 2604 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [2,0,0,0,0,0|1,0,0]=3 2605 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [2,0,0,0,0,0|0,0,0]=2 2606 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [2,0,0,0,0,0|0,0,0]=2 2607 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [2,0,0,0,0,0|1,0,1]=4 2608 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [2,0,0,0,0,0|1,0,1]=4 2609 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [2,0,0,0,0,0|0,0,2]=4 2610 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [2,0,0,0,0,0|0,0,2]=4 2611 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [2,0,0,0,0,0|2,0,0]=4 2612 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [2,0,0,0,0,0|1,0,1]=4 2613 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [2,0,0,0,0,0|2,0,0]=4 2614 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [2,0,0,0,0,0|2,0,0]=4 2615 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [2,0,0,0,0,0|2,0,0]=4 2616 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [2,0,0,0,0,0|2,0,0]=4 2617 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [2,0,0,0,0,0|1,0,0]=3 2618 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [2,0,0,0,0,0|2,0,0]=4 2619 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [2,0,0,0,0,0|1,0,0]=3 2620 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [2,0,0,0,0,0|0,0,0]=2 2621 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [2,0,0,0,0,0|1,0,0]=3 2622 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [2,0,0,0,0,0|2,0,0]=4 2623 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [2,0,0,0,0,0|2,0,0]=4 2624 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [2,0,0,0,0,0|1,0,1]=4 2625 B10R0.18 CCNNC(=O)CC(=O)OC 22a_100000756455_100000211351 [2,0,0,0,0,0|2,0,0]=4 2626 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [2,0,0,0,0,0|1,0,0]=3 2627 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [2,0,0,0,0,0|2,0,0]=4 2628 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [2,0,0,0,0,0|1,0,0]=3 2629 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [2,0,0,0,0,0|1,0,0]=3 2630 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [2,0,0,0,0,0|2,0,0]=4 2631 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [2,0,0,0,0,0|1,0,0]=3 2632 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [2,0,0,0,0,0|1,0,0]=3 2633 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [2,0,0,0,0,0|1,0,0]=3 2634 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [2,0,0,0,0,0|2,0,0]=4 2635 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [2,0,0,0,0,0|2,0,0]=4 2636 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [2,0,0,0,0,0|2,0,0]=4 2637 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100000211351_100011215226 [2,0,0,0,0,0|1,0,1]=4 2638 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100011934036_100000747449 [2,0,0,0,0,0|1,0,1]=4 2639 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [2,0,0,0,0,0|1,0,0]=3 2640 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [2,0,0,0,0,0|1,0,0]=3 2641 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [2,0,0,0,0,0|1,0,0]=3 2642 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [2,0,0,0,0,0|1,0,0]=3 2643 B10R0.18 COC(=O)CC(=O)CSCF 62a_100000210525_100015361967 [2,0,0,0,0,0|2,0,0]=4 2644 B10R0.18 COC(=O)CC(=O)CSCF 62a_100015361967_100000210525 [2,0,0,0,0,0|2,0,0]=4 2645 B10R0.18 COC(=O)CC(=O)NCCF 240690a_100000724931_100000211351 [2,0,0,0,0,0|2,0,0]=4 2646 B10R0.18 COC(=O)CC(=O)NCCO 240690a_100000210304_100000211351 [2,0,0,0,0,0|2,0,0]=4 2647 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [2,0,0,0,0,0|1,0,0]=3 2648 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [2,0,0,0,0,0|1,0,0]=3 2649 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [2,0,0,0,0,0|1,0,1]=4 2650 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [2,0,0,0,0,0|1,0,0]=3 2651 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [2,0,0,0,0,0|2,0,0]=4 2652 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [2,0,0,0,0,0|2,0,0]=4 2653 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [2,0,0,0,0,0|2,0,0]=4 2654 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [2,0,0,0,0,0|2,0,0]=4 2655 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [2,0,0,0,0,0|2,0,0]=4 2656 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [2,0,0,0,0,0|2,0,0]=4 2657 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [2,0,0,0,0,0|2,0,0]=4 2658 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [2,0,0,0,0,0|2,0,0]=4 2659 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [2,0,0,0,0,0|1,0,0]=3 2660 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [2,0,0,0,0,0|2,0,0]=4 2661 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [2,0,0,0,0,0|2,0,0]=4 2662 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [2,0,0,0,0,0|2,0,0]=4 2663 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [2,0,0,0,0,0|2,0,0]=4 2664 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [2,0,0,0,0,0|1,0,1]=4 2665 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [2,0,0,0,0,0|1,0,1]=4 2666 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [2,0,0,0,0,0|1,0,1]=4 2667 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [2,0,0,0,0,0|1,0,1]=4 2668 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [2,0,0,0,0,0|1,0,1]=4 2669 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [2,0,0,0,0,0|1,0,1]=4 2670 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [2,0,0,0,0,0|1,0,1]=4 2671 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [2,0,0,0,0,0|1,0,1]=4 2672 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [2,0,0,0,0,0|1,0,1]=4 2673 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [2,0,0,0,0,0|1,0,1]=4 2674 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [2,0,0,0,0,0|1,0,1]=4 2675 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [2,0,0,0,0,0|1,0,1]=4 2676 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [2,0,0,0,0,0|0,0,1]=3 2677 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [2,0,0,0,0,0|0,0,1]=3 2678 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [2,0,0,0,0,0|0,0,1]=3 2679 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [2,0,0,0,0,0|0,1,1]=4 2680 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [2,0,0,0,0,0|0,1,1]=4 2681 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [2,0,0,0,0,0|2,0,0]=4 2682 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [2,0,0,0,0,0|2,0,0]=4 2683 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [2,0,0,0,0,0|1,0,1]=4 2684 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [2,0,0,0,0,0|1,0,1]=4 2685 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [2,0,0,0,0,0|1,0,1]=4 2686 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [2,0,0,0,0,0|1,0,1]=4 2687 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [2,0,0,0,0,0|1,0,1]=4 2688 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [2,0,0,0,0,0|2,0,0]=4 2689 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [2,0,0,0,0,0|1,0,0]=3 2690 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [2,0,0,0,0,0|1,0,0]=3 2691 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [2,0,0,0,0,0|1,1,0]=4 2692 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [2,0,0,0,0,0|1,1,0]=4 2693 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [2,0,0,0,0,0|1,1,0]=4 2694 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [2,0,0,0,0,0|1,0,1]=4 2695 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [2,0,0,0,0,0|1,0,1]=4 2696 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [2,0,0,0,0,0|1,0,1]=4 2697 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [2,0,0,0,0,0|1,0,1]=4 2698 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [2,0,0,0,0,0|1,0,1]=4 2699 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [2,0,0,0,0,0|1,0,1]=4 2700 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [2,0,0,0,0,0|1,0,1]=4 2701 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [2,0,0,0,0,0|1,0,1]=4 2702 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [2,0,0,0,0,0|1,0,1]=4 2703 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [2,0,0,0,0,0|1,0,1]=4 2704 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [2,0,0,0,0,0|2,0,0]=4 2705 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [2,0,0,0,0,0|1,0,0]=3 2706 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [2,0,0,0,0,0|1,0,0]=3 2707 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [2,0,0,0,0,0|1,0,0]=3 2708 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [2,0,0,0,0,0|1,0,0]=3 2709 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [2,0,0,0,0,0|1,0,0]=3 2710 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [2,0,0,0,0,0|1,1,0]=4 2711 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [2,0,0,0,0,0|1,1,0]=4 2712 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [2,0,0,0,0,0|1,1,0]=4 2713 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [2,0,0,0,0,0|1,1,0]=4 2714 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [2,0,0,0,0,0|1,1,0]=4 2715 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [2,0,0,0,0,0|1,1,0]=4 2716 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [2,0,0,0,0,0|1,0,0]=3 2717 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [2,0,0,0,0,0|0,0,0]=2 2718 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [2,0,0,0,0,0|0,1,0]=3 2719 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [2,0,0,0,0,0|0,1,0]=3 2720 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [2,0,0,0,0,0|1,1,0]=4 2721 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [2,0,0,0,0,0|1,1,0]=4 2722 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [2,0,0,0,0,0|1,0,1]=4 2723 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [2,0,0,0,0,0|1,0,1]=4 2724 B10R0.91 CCCNC(=O)C=COCC 11a_100020643023_100016266692 [2,0,0,0,0,0|1,0,1]=4 2725 B10R0.91 CCCNC(=O)C=COCC 1626a_100020643023_100016266692 [2,0,0,0,0,0|1,0,1]=4 2726 B10R0.91 CCCNC(=O)C=COCC 240690a_100020643023_100016266692 [2,0,0,0,0,0|1,0,1]=4 2727 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [2,0,0,0,0,0|1,0,1]=4 2728 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [2,0,0,0,0,0|1,0,1]=4 2729 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [2,0,0,0,0,0|1,0,1]=4 2730 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [2,0,0,0,0,0|1,0,1]=4 2731 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [2,0,0,0,0,0|2,0,0]=4 2732 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [2,0,0,0,0,0|2,0,0]=4 2733 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [2,0,0,0,0,0|2,0,0]=4 2734 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [2,0,0,0,0,0|1,0,1]=4 2735 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [2,0,0,0,0,0|2,0,0]=4 2736 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [2,0,0,0,0,0|2,0,0]=4 2737 B10R0.91 CCOC=CC(=O)CCCF 1458a_100016266692_100011934791 [2,0,0,0,0,0|1,0,1]=4 2738 B10R0.91 CCOC=CC(=O)CCCO 1458a_100016266692_100011215043 [2,0,0,0,0,0|1,0,1]=4 2739 B10R0.91 CCOC=CC(=O)CCOC 1458a_100016266692_100000233755 [2,0,0,0,0,0|1,0,1]=4 2740 B10R0.91 CCOC=CC(=O)CCSC 1458a_100016266692_100000751147 [2,0,0,0,0,0|1,0,1]=4 2741 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [2,0,0,0,0,0|2,0,0]=4 2742 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [2,0,0,0,0,0|2,0,0]=4 2743 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [2,0,0,0,0,0|2,0,0]=4 2744 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [2,0,0,0,0,0|2,0,0]=4 2745 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [2,0,0,0,0,0|2,0,0]=4 2746 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [2,0,0,0,0,0|2,0,0]=4 2747 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [2,0,0,0,0,0|2,0,0]=4 2748 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [2,0,0,0,0,0|2,0,0]=4 2749 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [2,0,0,0,0,0|2,0,0]=4 2750 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [2,0,0,0,0,0|2,0,0]=4 2751 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [2,0,0,0,0,0|2,0,0]=4 2752 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [2,0,0,0,0,0|2,0,0]=4 2753 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [2,0,0,0,0,0|2,0,0]=4 2754 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [2,0,0,0,0,0|2,0,0]=4 2755 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [2,0,0,0,0,0|2,0,0]=4 2756 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [2,0,0,0,0,0|2,0,0]=4 2757 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [2,0,0,0,0,0|2,0,0]=4 2758 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [2,0,0,0,0,0|2,0,0]=4 2759 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [2,0,0,0,0,0|1,0,0]=3 2760 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [2,0,0,0,0,0|1,0,1]=4 2761 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [2,0,0,0,0,0|1,0,1]=4 2762 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [2,0,0,0,0,0|1,0,1]=4 2763 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [2,0,0,0,0,0|1,0,1]=4 2764 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [2,0,0,0,0,0|1,0,1]=4 2765 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [2,0,0,0,0,0|1,0,1]=4 2766 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [2,0,0,0,0,0|1,0,1]=4 2767 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [2,0,0,0,0,0|1,0,1]=4 2768 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [2,0,0,0,0,0|1,1,0]=4 2769 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [2,0,0,0,0,0|1,1,0]=4 2770 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [2,0,0,0,0,0|2,0,0]=4 2771 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [2,0,0,0,0,0|1,0,0]=3 2772 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [2,0,0,0,0,0|1,0,0]=3 2773 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [2,0,0,0,0,0|1,0,0]=3 2774 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [2,0,0,0,0,0|2,0,0]=4 2775 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [2,0,0,0,0,0|2,0,0]=4 2776 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [2,0,0,0,0,0|1,0,1]=4 2777 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [2,0,0,0,0,0|1,0,0]=3 2778 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [2,0,0,0,0,0|2,0,0]=4 2779 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [2,0,0,0,0,0|2,0,0]=4 2780 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [2,0,0,0,0,0|0,0,0]=2 2781 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [2,0,0,0,0,0|2,0,0]=4 2782 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [2,0,0,0,0,0|2,0,0]=4 2783 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [2,0,0,0,0,0|1,0,0]=3 2784 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [2,0,0,0,0,0|2,0,0]=4 2785 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [2,0,0,0,0,0|1,0,0]=3 2786 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [2,0,0,0,0,0|1,0,0]=3 2787 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [2,0,0,0,0,0|1,0,0]=3 2788 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [2,0,0,0,0,0|1,0,0]=3 2789 B12R0.1 C#CCCCOCCC(=O)OCC 34a_100000215630_100000765890 [1,1,0,0,0,0|0,0,2]=4 2790 B12R0.1 C#CCCCOCCC(=O)OCC 7a_100000215630_100011206558 [1,1,0,0,0,0|0,0,2]=4 2791 B12R0.1 C/C=C/CCOCCC(=O)OCC 34a_100016278192_100000765890 [1,1,0,0,0,0|0,0,2]=4 2792 B12R0.1 C=CCCCOCCC(=O)OCC 34a_100000758997_100000765890 [1,1,0,0,0,0|0,0,2]=4 2793 B12R0.1 C=CCCCOCCC(=O)OCC 7a_100000758997_100011206558 [1,1,0,0,0,0|0,0,2]=4 2794 B12R0.1 CC#CCCOCCC(=O)OCC 34a_100000750427_100000765890 [1,1,0,0,0,0|0,0,2]=4 2795 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [1,1,0,0,0,0|0,0,2]=4 2796 B12R0.1 CCC#CCOCCC(=O)OCC 34a_100000032950_100000765890 [1,1,0,0,0,0|0,0,2]=4 2797 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [1,1,0,0,0,0|1,0,1]=4 2798 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [1,1,0,0,0,0|2,0,0]=4 2799 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [1,1,0,0,0,0|2,0,0]=4 2800 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [1,1,0,0,0,0|2,0,0]=4 2801 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [1,1,0,0,0,0|1,0,1]=4 2802 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [1,1,0,0,0,0|1,0,1]=4 2803 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [1,1,0,0,0,0|1,0,1]=4 2804 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [1,1,0,0,0,0|1,0,1]=4 2805 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [1,1,0,0,0,0|1,0,1]=4 2806 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [1,1,0,0,0,0|1,0,1]=4 2807 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [1,1,0,0,0,0|1,0,1]=4 2808 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [1,1,0,0,0,0|0,0,1]=3 2809 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [1,1,0,0,0,0|0,0,1]=3 2810 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [1,1,0,0,0,0|0,1,1]=4 2811 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [1,1,0,0,0,0|0,1,1]=4 2812 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [1,1,0,0,0,0|2,0,0]=4 2813 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [1,1,0,0,0,0|1,0,1]=4 2814 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [1,1,0,0,0,0|1,0,1]=4 2815 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [1,1,0,0,0,0|1,0,1]=4 2816 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [1,1,0,0,0,0|1,0,1]=4 2817 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [1,1,0,0,0,0|1,0,1]=4 2818 B12R0.1 CCCCNN=C[CH-]C(=O)OCC 4a_100025702795_100010622808 [1,1,0,0,0,0|1,0,1]=4 2819 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [1,1,0,0,0,0|0,0,1]=3 2820 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [1,1,0,0,0,0|0,0,1]=3 2821 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [1,1,0,0,0,0|0,0,1]=3 2822 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [1,1,0,0,0,0|0,0,1]=3 2823 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [1,1,0,0,0,0|0,0,1]=3 2824 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [1,1,0,0,0,0|0,0,1]=3 2825 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [1,1,0,0,0,0|0,0,1]=3 2826 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [1,1,0,0,0,0|1,0,1]=4 2827 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [1,1,0,0,0,0|1,0,1]=4 2828 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [1,1,0,0,0,0|1,0,1]=4 2829 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [1,1,0,0,0,0|1,0,1]=4 2830 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [1,1,0,0,0,0|1,0,1]=4 2831 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [1,1,0,0,0,0|0,0,1]=3 2832 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [1,1,0,0,0,0|0,0,1]=3 2833 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [1,1,0,0,0,0|0,1,1]=4 2834 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [1,1,0,0,0,0|0,1,1]=4 2835 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [1,1,0,0,0,0|0,1,1]=4 2836 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [1,1,0,0,0,0|0,1,1]=4 2837 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [1,1,0,0,0,0|0,1,1]=4 2838 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [1,1,0,0,0,0|1,0,1]=4 2839 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [1,1,0,0,0,0|2,0,0]=4 2840 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [1,1,0,0,0,0|2,0,0]=4 2841 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [1,1,0,0,0,0|2,0,0]=4 2842 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [1,1,0,0,0,0|2,0,0]=4 2843 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [1,1,0,0,0,0|2,0,0]=4 2844 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [1,1,0,0,0,0|2,0,0]=4 2845 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [1,1,0,0,0,0|2,0,0]=4 2846 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [1,1,0,0,0,0|2,0,0]=4 2847 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [1,1,0,0,0,0|1,0,1]=4 2848 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [1,1,0,0,0,0|1,0,1]=4 2849 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [1,1,0,0,0,0|2,0,0]=4 2850 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [1,1,0,0,0,0|2,0,0]=4 2851 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [1,1,0,0,0,0|2,0,0]=4 2852 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [1,1,0,0,0,0|2,0,0]=4 2853 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [1,1,0,0,0,0|2,0,0]=4 2854 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [1,1,0,0,0,0|1,0,1]=4 2855 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [1,1,0,0,0,0|1,0,1]=4 2856 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [1,1,0,0,0,0|1,0,1]=4 2857 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [1,1,0,0,0,0|1,0,1]=4 2858 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [1,1,0,0,0,0|1,0,1]=4 2859 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [1,1,0,0,0,0|1,0,1]=4 2860 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [1,1,0,0,0,0|2,0,0]=4 2861 B12R0.1 CCOC(=O)/C=C/COCCCBr 34a_100011217188_100016267167 [1,1,0,0,0,0|1,0,1]=4 2862 B12R0.1 CCOC(=O)/C=C/COCCCCl 34a_100000230001_100016267167 [1,1,0,0,0,0|1,0,1]=4 2863 B12R0.1 CCOC(=O)/C=C/COCCCF 34a_100000759539_100016267167 [1,1,0,0,0,0|1,0,1]=4 2864 B12R0.1 CCOC(=O)/C=C/COCCCN 34a_100000182051_100016267167 [1,1,0,0,0,0|1,0,1]=4 2865 B12R0.1 CCOC(=O)/C=C/COCCOC 34a_100000210237_100016267167 [1,1,0,0,0,0|1,0,1]=4 2866 B12R0.1 CCOC(=O)/C=C/COCCSC 34a_100000230434_100016267167 [1,1,0,0,0,0|1,0,1]=4 2867 B12R0.1 CCOC(=O)/C=C/COCCSC 7a_100000230434_100016267167 [1,1,0,0,0,0|1,0,1]=4 2868 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [1,1,0,0,0,0|1,0,1]=4 2869 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [1,1,0,0,0,0|1,0,1]=4 2870 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [1,1,0,0,0,0|1,0,1]=4 2871 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [1,1,0,0,0,0|1,0,1]=4 2872 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [1,1,0,0,0,0|1,0,1]=4 2873 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [1,1,0,0,0,0|1,0,1]=4 2874 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [1,1,0,0,0,0|1,0,1]=4 2875 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [1,1,0,0,0,0|1,0,1]=4 2876 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [1,1,0,0,0,0|1,0,1]=4 2877 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [1,1,0,0,0,0|1,0,1]=4 2878 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [1,1,0,0,0,0|1,0,1]=4 2879 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [1,1,0,0,0,0|1,0,1]=4 2880 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [1,1,0,0,0,0|1,0,1]=4 2881 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [1,1,0,0,0,0|1,0,1]=4 2882 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [1,1,0,0,0,0|1,0,1]=4 2883 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [1,1,0,0,0,0|1,0,1]=4 2884 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [1,1,0,0,0,0|1,0,1]=4 2885 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [1,1,0,0,0,0|1,0,1]=4 2886 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [1,1,0,0,0,0|1,0,1]=4 2887 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [1,1,0,0,0,0|1,0,1]=4 2888 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [1,1,0,0,0,0|1,0,1]=4 2889 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [1,1,0,0,0,0|1,0,1]=4 2890 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [1,1,0,0,0,0|1,0,1]=4 2891 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [1,1,0,0,0,0|1,0,1]=4 2892 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [1,1,0,0,0,0|0,0,1]=3 2893 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [1,1,0,0,0,0|0,0,1]=3 2894 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [1,1,0,0,0,0|0,0,1]=3 2895 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [1,1,0,0,0,0|0,0,1]=3 2896 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [1,1,0,0,0,0|0,0,1]=3 2897 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [1,1,0,0,0,0|0,0,1]=3 2898 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [1,1,0,0,0,0|0,0,1]=3 2899 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [1,1,0,0,0,0|0,0,1]=3 2900 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [1,1,0,0,0,0|0,0,1]=3 2901 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [1,1,0,0,0,0|0,0,1]=3 2902 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [1,1,0,0,0,0|0,0,1]=3 2903 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [1,1,0,0,0,0|0,0,1]=3 2904 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [1,1,0,0,0,0|0,0,1]=3 2905 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [1,1,0,0,0,0|0,1,1]=4 2906 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [1,1,0,0,0,0|0,1,1]=4 2907 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [1,1,0,0,0,0|0,1,1]=4 2908 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [1,1,0,0,0,0|0,1,1]=4 2909 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [1,1,0,0,0,0|0,1,1]=4 2910 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [1,1,0,0,0,0|0,1,1]=4 2911 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [1,1,0,0,0,0|0,1,1]=4 2912 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [1,1,0,0,0,0|0,1,1]=4 2913 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [1,1,0,0,0,0|2,0,0]=4 2914 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [1,1,0,0,0,0|2,0,0]=4 2915 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [1,1,0,0,0,0|2,0,0]=4 2916 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [1,1,0,0,0,0|2,0,0]=4 2917 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [1,1,0,0,0,0|2,0,0]=4 2918 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [1,1,0,0,0,0|2,0,0]=4 2919 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [1,1,0,0,0,0|2,0,0]=4 2920 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [1,1,0,0,0,0|2,0,0]=4 2921 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [1,1,0,0,0,0|2,0,0]=4 2922 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [1,1,0,0,0,0|2,0,0]=4 2923 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [1,1,0,0,0,0|2,0,0]=4 2924 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [1,1,0,0,0,0|2,0,0]=4 2925 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [1,1,0,0,0,0|2,0,0]=4 2926 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [1,1,0,0,0,0|2,0,0]=4 2927 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [1,1,0,0,0,0|2,0,0]=4 2928 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [1,1,0,0,0,0|2,0,0]=4 2929 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [1,1,0,0,0,0|2,0,0]=4 2930 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [1,1,0,0,0,0|2,0,0]=4 2931 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [1,1,0,0,0,0|2,0,0]=4 2932 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [1,1,0,0,0,0|2,0,0]=4 2933 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [1,1,0,0,0,0|2,0,0]=4 2934 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [1,1,0,0,0,0|2,0,0]=4 2935 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000188475_100000231047 [1,1,0,0,0,0|1,0,1]=4 2936 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000231047_100000188475 [1,1,0,0,0,0|1,0,1]=4 2937 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [1,1,0,0,0,0|1,0,1]=4 2938 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [1,1,0,0,0,0|1,0,1]=4 2939 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [1,1,0,0,0,0|1,0,1]=4 2940 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [1,1,0,0,0,0|1,0,1]=4 2941 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [1,1,0,0,0,0|1,0,1]=4 2942 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [1,1,0,0,0,0|1,0,1]=4 2943 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [1,1,0,0,0,0|1,0,1]=4 2944 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [1,1,0,0,0,0|2,0,0]=4 2945 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [1,1,0,0,0,0|2,0,0]=4 2946 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [1,1,0,0,0,0|2,0,0]=4 2947 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [1,1,0,0,0,0|2,0,0]=4 2948 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [1,1,0,0,0,0|2,0,0]=4 2949 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [1,1,0,0,0,0|2,0,0]=4 2950 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [1,1,0,0,0,0|2,0,0]=4 2951 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [1,1,0,0,0,0|1,0,1]=4 2952 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [1,1,0,0,0,0|1,0,1]=4 2953 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [1,1,0,0,0,0|0,0,1]=3 2954 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [1,1,0,0,0,0|0,0,1]=3 2955 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [1,1,0,0,0,0|0,1,1]=4 2956 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [1,1,0,0,0,0|0,1,1]=4 2957 B12R0.4 CCCC/C=C/CC(=O)CC(C)C 1458a_200016282684_100000210624 [1,1,0,0,0,0|2,0,0]=4 2958 B12R0.4 CCCC/C=C/CC(=O)CC(C)O 1458a_200016282684_100011218427 [1,1,0,0,0,0|2,0,0]=4 2959 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 11a_100138425928_200016282684 [1,1,0,0,0,0|2,0,0]=4 2960 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_200016282684 [1,1,0,0,0,0|2,0,0]=4 2961 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_200016282684 [1,1,0,0,0,0|2,0,0]=4 2962 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 527a_100138425928_200016282684 [1,1,0,0,0,0|2,0,0]=4 2963 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [1,1,0,0,0,0|2,0,0]=4 2964 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [1,1,0,0,0,0|2,0,0]=4 2965 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [1,1,0,0,0,0|2,0,0]=4 2966 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [1,1,0,0,0,0|2,0,0]=4 2967 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [1,1,0,0,0,0|2,0,0]=4 2968 B12R0.4 CCCCNCCC(=O)OC(C)C 2230a_100000102301_100000760027 [1,1,0,0,0,0|1,0,1]=4 2969 B12R0.4 CCCCNCCC(=O)OC(C)C 7a_106832991798_100000760027 [1,1,0,0,0,0|1,0,1]=4 2970 B12R0.4 CCCCOCCC(=O)CC(C)C 1458a_100000210554_100000743108 [1,1,0,0,0,0|1,0,1]=4 2971 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [1,1,0,0,0,0|1,0,1]=4 2972 B12R0.4 CCCCOCCC(=O)NC(C)C 7a_100000210227_100000737564 [1,1,0,0,0,0|1,0,1]=4 2973 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [1,1,0,0,0,0|0,0,1]=3 2974 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000210211_100000760027 [1,1,0,0,0,0|0,1,1]=4 2975 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000760027_100000210210 [1,1,0,0,0,0|0,1,1]=4 2976 B12R0.4 CSCCOCCC(=O)OC(C)C 7a_100000230434_100000760027 [1,1,0,0,0,0|1,0,1]=4 2977 B12R0.49 CCCC/C=C/CC(=O)C(C)CC 1458a_200016282684_100000758301 [1,1,0,0,0,0|2,0,0]=4 2978 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 11a_100000225621_200016282684 [1,1,0,0,0,0|2,0,0]=4 2979 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_200016282684 [1,1,0,0,0,0|2,0,0]=4 2980 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_200016282684 [1,1,0,0,0,0|2,0,0]=4 2981 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 527a_100000225621_200016282684 [1,1,0,0,0,0|2,0,0]=4 2982 B12R0.49 CCCCOCCC(=O)C(C)CC 1458a_100011192722_100000743108 [1,1,0,0,0,0|1,0,1]=4 2983 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [1,1,0,0,0,0|1,0,1]=4 2984 B12R0.101 CCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210211 [1,1,0,0,0,0|1,0,1]=4 2985 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [1,1,0,0,0,0|1,0,1]=4 2986 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [1,1,0,0,0,0|2,0,0]=4 2987 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [1,1,0,0,0,0|2,0,0]=4 2988 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [1,1,0,0,0,0|2,0,0]=4 2989 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [1,1,0,0,0,0|2,0,0]=4 2990 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [1,1,0,0,0,0|2,0,0]=4 2991 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [1,1,0,0,0,0|2,0,0]=4 2992 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [1,1,0,0,0,0|1,0,1]=4 2993 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [1,1,0,0,0,0|1,0,1]=4 2994 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [1,1,0,0,0,0|1,0,1]=4 2995 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [1,1,0,0,0,0|1,0,1]=4 2996 B12R0.114 C=C(COCCCC)C(=O)OCC 34a_100000210227_100000755967 [1,1,0,0,0,0|0,0,2]=4 2997 B12R0.114 C=C(COCCCC)C(=O)OCC 7a_100000210227_100000755967 [1,1,0,0,0,0|0,0,2]=4 2998 B12R0.114 CCCCCNC(C)C(=O)OCC 2230a_100000209983_100011215307 [1,1,0,0,0,0|2,0,0]=4 2999 B12R0.114 CCCCCNC(F)C(=O)OCC 2230a_100000209983_100000760018 [1,1,0,0,0,0|2,0,0]=4 3000 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [1,1,0,0,0,0|2,0,0]=4 3001 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [1,1,0,0,0,0|2,0,0]=4 3002 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [1,1,0,0,0,0|2,0,0]=4 3003 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [1,1,0,0,0,0|2,0,0]=4 3004 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [1,1,0,0,0,0|2,0,0]=4 3005 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100000210326_100011216346 [1,1,0,0,0,0|2,0,0]=4 3006 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100011216346_100000210326 [1,1,0,0,0,0|2,0,0]=4 3007 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000210326_100000760018 [1,1,0,0,0,0|2,0,0]=4 3008 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000760018_100000210326 [1,1,0,0,0,0|2,0,0]=4 3009 B12R0.206 CCC#CC(=O)CCOCCCC 1458a_100011827653_100000743108 [1,1,0,0,0,0|1,0,1]=4 3010 B12R0.206 CCC=CC(=O)CCOCCCC 1458a_100000212282_100000743108 [1,1,0,0,0,0|1,0,1]=4 3011 B12R0.206 CCCC/C=C/CC(=O)CCCC 1458a_200016282684_100000210211 [1,1,0,0,0,0|2,0,0]=4 3012 B12R0.206 CCCC/C=C/CC(=O)CCCF 1458a_200016282684_100011934791 [1,1,0,0,0,0|2,0,0]=4 3013 B12R0.206 CCCC/C=C/CC(=O)CCCO 1458a_200016282684_100011215043 [1,1,0,0,0,0|2,0,0]=4 3014 B12R0.206 CCCC/C=C/CC(=O)CCOC 1458a_200016282684_100000233755 [1,1,0,0,0,0|2,0,0]=4 3015 B12R0.206 CCCC/C=C/CC(=O)CCSC 1458a_200016282684_100000751147 [1,1,0,0,0,0|2,0,0]=4 3016 B12R0.206 CCCC/C=C/CC(=O)NCCC 11a_100020643023_200016282684 [1,1,0,0,0,0|2,0,0]=4 3017 B12R0.206 CCCC/C=C/CC(=O)NCCC 1626a_100020643023_200016282684 [1,1,0,0,0,0|2,0,0]=4 3018 B12R0.206 CCCC/C=C/CC(=O)NCCC 240690a_100020643023_200016282684 [1,1,0,0,0,0|2,0,0]=4 3019 B12R0.206 CCCC/C=C/CC(=O)NCCC 527a_100020643023_200016282684 [1,1,0,0,0,0|2,0,0]=4 3020 B12R0.206 CCCC/C=C/CC(=O)NCCF 11a_100000724931_200016282684 [1,1,0,0,0,0|2,0,0]=4 3021 B12R0.206 CCCC/C=C/CC(=O)NCCF 1626a_100000724931_200016282684 [1,1,0,0,0,0|2,0,0]=4 3022 B12R0.206 CCCC/C=C/CC(=O)NCCF 240690a_100000724931_200016282684 [1,1,0,0,0,0|2,0,0]=4 3023 B12R0.206 CCCC/C=C/CC(=O)NCCF 527a_100000724931_200016282684 [1,1,0,0,0,0|2,0,0]=4 3024 B12R0.206 CCCC/C=C/CC(=O)NCCO 240690a_100000210304_200016282684 [1,1,0,0,0,0|2,0,0]=4 3025 B12R0.206 CCCC/C=C/CC(=O)NCCO 527a_100000210304_200016282684 [1,1,0,0,0,0|2,0,0]=4 3026 B12R0.206 CCCC/C=C/CC(=O)NNCC 22a_100000756455_200016282684 [1,1,0,0,0,0|2,0,0]=4 3027 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [1,1,0,0,0,0|1,0,1]=4 3028 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [1,1,0,0,0,0|1,0,1]=4 3029 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [1,1,0,0,0,0|1,0,1]=4 3030 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [1,1,0,0,0,0|1,0,1]=4 3031 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [1,1,0,0,0,0|1,0,1]=4 3032 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [1,1,0,0,0,0|1,0,1]=4 3033 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [1,1,0,0,0,0|1,0,1]=4 3034 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [1,1,0,0,0,0|2,0,0]=4 3035 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [1,1,0,0,0,0|2,0,0]=4 3036 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [1,1,0,0,0,0|2,0,0]=4 3037 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [1,1,0,0,0,0|2,0,0]=4 3038 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [1,1,0,0,0,0|2,0,0]=4 3039 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [1,1,0,0,0,0|1,0,1]=4 3040 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [1,1,0,0,0,0|1,0,1]=4 3041 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [1,1,0,0,0,0|1,0,1]=4 3042 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [1,1,0,0,0,0|0,0,1]=3 3043 B12R0.206 CCCCOCCC(=O)CSCC 1458a_100000230394_100000743108 [1,1,0,0,0,0|0,1,1]=4 3044 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [1,1,0,0,0,0|1,0,1]=4 3045 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [1,1,0,0,0,0|1,0,1]=4 3046 B12R0.206 CCOCC(=O)CCOCCOC 1458a_100000211967_100000695917 [1,1,0,0,0,0|1,0,1]=4 3047 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100000737597 [1,1,0,0,0,0|1,0,1]=4 3048 B12R0.276 CCOC(=O)CCNCC(C)CC 2230a_100020588543_100011206558 [1,1,0,0,0,0|1,0,1]=4 3049 B12R0.276 CCOC(=O)CCNCC(O)CC 2230a_100011218483_100011206558 [1,1,0,0,0,0|1,0,1]=4 3050 B12R0.276 CCOC(=O)CCOCC(=O)CC 34a_100000725409_100000765890 [1,1,0,0,0,0|0,0,2]=4 3051 B12R0.276 CCOC(=O)CCOCC(C)CN 34a_100000744482_100000765890 [1,1,0,0,0,0|1,0,1]=4 3052 B12R0.276 CCOC(=O)CCOCC(C)OC 34a_100000690652_100000765890 [1,1,0,0,0,0|1,0,1]=4 3053 B12R0.276 CCOC(=O)CCOCC(Cl)CCl 34a_100000033668_100000765890 [1,1,0,0,0,0|1,0,1]=4 3054 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [1,1,0,0,0,0|0,0,1]=3 3055 B12R0.276 CCOC(=O)CCOC[C@H](F)CN 34a_100015665980_100000765890 [1,1,0,0,0,0|1,0,1]=4 3056 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000748023_100000765890 [1,1,0,0,0,0|0,1,1]=4 3057 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000765890_100000748023 [1,1,0,0,0,0|0,1,1]=4 3058 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100000765890_100011218378 [1,1,0,0,0,0|0,1,1]=4 3059 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100011218378_100000765890 [1,1,0,0,0,0|0,1,1]=4 3060 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100000765890_100009816398 [1,1,0,0,0,0|0,1,1]=4 3061 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000765890 [1,1,0,0,0,0|0,1,1]=4 3062 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [1,1,0,0,0,0|2,0,0]=4 3063 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [1,1,0,0,0,0|2,0,0]=4 3064 B12R0.277 C=C(C)CCOCCC(=O)OCC 34a_100000764851_100000765890 [1,1,0,0,0,0|0,0,2]=4 3065 B12R0.277 CCNC(=O)CCOCCC(C)C 7a_100000210254_100000737597 [1,1,0,0,0,0|1,0,1]=4 3066 B12R0.277 CCOC(=O)CCNCCC(C)O 2230a_200000755665_100011206558 [1,1,0,0,0,0|1,0,1]=4 3067 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [1,1,0,0,0,0|0,0,2]=4 3068 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [1,1,0,0,0,0|0,0,2]=4 3069 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [1,1,0,0,0,0|0,0,1]=3 3070 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [1,1,0,0,0,0|0,0,1]=3 3071 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [1,1,0,0,0,0|0,0,1]=3 3072 B12R0.277 CCOC(=O)CCOCCC(F)F 34a_100103093639_100000765890 [1,1,0,0,0,0|1,0,1]=4 3073 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [1,1,0,0,0,0|0,0,1]=3 3074 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000210312_100000765890 [1,1,0,0,0,0|0,1,1]=4 3075 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000765890_100000210312 [1,1,0,0,0,0|0,1,1]=4 3076 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100000765890_100012276601 [1,1,0,0,0,0|0,1,1]=4 3077 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100012276601_100000765890 [1,1,0,0,0,0|0,1,1]=4 3078 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [1,1,0,0,0,0|2,0,0]=4 3079 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [1,1,0,0,0,0|2,0,0]=4 3080 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [1,1,0,0,0,0|2,0,0]=4 3081 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [1,1,0,0,0,0|2,0,0]=4 3082 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [1,1,0,0,0,0|2,0,0]=4 3083 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [1,1,0,0,0,0|2,0,0]=4 3084 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_100000188475_200000718107 [1,1,0,0,0,0|2,0,0]=4 3085 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_200000718107_100000188475 [1,1,0,0,0,0|2,0,0]=4 3086 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [1,1,0,0,0,0|2,0,0]=4 3087 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [1,1,0,0,0,0|2,0,0]=4 3088 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [1,1,0,0,0,0|2,0,0]=4 3089 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [1,1,0,0,0,0|2,0,0]=4 3090 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [1,1,0,0,0,0|1,0,1]=4 3091 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [1,1,0,0,0,0|1,0,1]=4 3092 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [1,1,0,0,0,0|0,0,1]=3 3093 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [1,1,0,0,0,0|0,0,1]=3 3094 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [1,1,0,0,0,0|0,1,1]=4 3095 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [1,1,0,0,0,0|0,1,1]=4 3096 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [1,1,0,0,0,0|2,0,0]=4 3097 B12R0.285 CCOC(=O)CCOC(C)CCBr 34a_100012276601_100000765890 [1,1,0,0,0,0|1,0,1]=4 3098 B12R0.285 CCOC(=O)CCO[C@H](C)COC 34a_100011934205_100000765890 [1,1,0,0,0,0|1,0,1]=4 3099 B12R0.2 C#CCCC(=O)CC(=O)OC(C)C 1458a_100000692101_100011215430 [1,1,0,0,0,0|0,0,2]=4 3100 B12R0.2 C=CCCC(=O)CC(=O)OC(C)C 1458a_100000749702_100011215430 [1,1,0,0,0,0|0,0,2]=4 3101 B12R0.2 CC(C)OC(=O)CC(=O)CCC#N 1458a_100011934036_100011215430 [1,1,0,0,0,0|1,0,1]=4 3102 B12R0.2 CC=CCC(=O)CC(=O)OC(C)C 1458a_100121576822_100011215430 [1,1,0,0,0,0|0,0,2]=4 3103 B12R0.2 CCC#CC(=O)CC(=O)OC(C)C 1458a_100011827653_100011215430 [1,1,0,0,0,0|0,0,2]=4 3104 B12R0.2 CCC=CC(=O)CC(=O)OC(C)C 1458a_100000212282_100011215430 [1,1,0,0,0,0|0,0,2]=4 3105 B12R0.2 CCCCC(=O)CC(=O)NC(=O)C 1458a_100000210183_100000183797 [1,1,0,0,0,0|1,0,1]=4 3106 B12R0.2 CCCCC(=O)CC(=O)NC(C)C 1458a_100000210183_100000183996 [1,1,0,0,0,0|1,0,0]=3 3107 B12R0.2 CCCCC(=O)CC(=O)OC(C)C 1458a_100000210183_100011215430 [1,1,0,0,0,0|0,0,0]=2 3108 B12R0.2 CCCCN(C)CC(=O)OC(C)C 2230a_100000207549_100011215430 [1,1,0,0,0,0|2,0,0]=4 3109 B12R0.2 CCCCN(C)CC(=O)OC(C)C 269982a_100000207549_100011215430 [1,1,0,0,0,0|2,0,0]=4 3110 B12R0.2 CCCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183358 [1,1,0,0,0,0|2,0,0]=4 3111 B12R0.2 CCCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183358 [1,1,0,0,0,0|2,0,0]=4 3112 B12R0.2 CCCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_200011215008 [1,1,0,0,0,0|1,0,1]=4 3113 B12R0.2 CCCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_200011215008 [1,1,0,0,0,0|1,0,1]=4 3114 B12R0.2 CCCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_200011215008 [1,1,0,0,0,0|1,0,1]=4 3115 B12R0.2 CCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_200011215008 [1,1,0,0,0,0|1,0,0]=3 3116 B12R0.2 CCCOC(=O)CC(=O)CN(C)C 1458a_100000750896_200011215008 [1,1,0,0,0,0|2,0,0]=4 3117 B12R0.2 CCCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200011215008 [1,1,0,0,0,0|1,0,0]=3 3118 B12R0.2 CCCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_200011215008 [1,1,0,0,0,0|2,0,0]=4 3119 B12R0.2 CCOCC(=O)CC(=O)NC(C)C 1458a_100000211967_100000183996 [1,1,0,0,0,0|2,0,0]=4 3120 B12R0.2 CCOCC(=O)CC(=O)OC(C)C 1458a_100000211967_100011215430 [1,1,0,0,0,0|1,0,0]=3 3121 B12R0.2 CCSCC(=O)CC(=O)NC(C)C 1458a_100000230394_100000183996 [1,1,0,0,0,0|2,0,0]=4 3122 B12R0.2 CCSCC(=O)CC(=O)OC(C)C 1458a_100000230394_100011215430 [1,1,0,0,0,0|1,0,0]=3 3123 B12R0.2 COCCC(=O)CC(=O)NC(C)C 1458a_100000749529_100000183996 [1,1,0,0,0,0|2,0,0]=4 3124 B12R0.2 COCCC(=O)CC(=O)OC(C)C 1458a_100000749529_100011215430 [1,1,0,0,0,0|1,0,0]=3 3125 B12R0.2 CSCCC(=O)CC(=O)NC(C)C 1458a_100000174002_100000183996 [1,1,0,0,0,0|2,0,0]=4 3126 B12R0.2 CSCCC(=O)CC(=O)OC(C)C 1458a_100000174002_100011215430 [1,1,0,0,0,0|1,0,0]=3 3127 B12R0.68 C=C(CCC)CC(=O)CC(C)CC 1458a_100000138376_100000748023 [1,1,0,0,0,0|2,0,0]=4 3128 B12R0.68 C=C(CCC)CC(=O)CC(O)CC 1458a_100000138376_100011218378 [1,1,0,0,0,0|2,0,0]=4 3129 B12R0.68 C=C(CCC)CC(=O)C[C@@H](C)CC 1458a_100000138376_100009816398 [1,1,0,0,0,0|2,0,0]=4 3130 B12R0.68 C=CC(C)CC(=O)CC(=O)OCC 1458a_100011934298_100000188475 [1,1,0,0,0,0|0,0,2]=4 3131 B12R0.68 C=COC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000036128 [1,1,0,0,0,0|0,0,2]=4 3132 B12R0.68 C=COC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000036128 [1,1,0,0,0,0|0,0,2]=4 3133 B12R0.68 CCC(C)CC(=O)CC(=O)NCO 1458a_100000708755_100000185155 [1,1,0,0,0,0|2,0,0]=4 3134 B12R0.68 CCC(O)CC(=O)CC(=O)NCO 1458a_100011667805_100000185155 [1,1,0,0,0,0|2,0,0]=4 3135 B12R0.68 CCCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747444 [1,1,0,0,0,0|1,0,0]=3 3136 B12R0.68 CCCC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000747444 [1,1,0,0,0,0|1,0,0]=3 3137 B12R0.68 CCCC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000747444 [1,1,0,0,0,0|2,0,0]=4 3138 B12R0.68 CCCC(=O)CC(=O)NC(C)CC 1458a_100000211992_100000182745 [1,1,0,0,0,0|2,0,0]=4 3139 B12R0.68 CCCS(=O)CC(=O)CC(C)CC 1458a_100011387404_100000748023 [1,1,0,0,0,0|2,0,0]=4 3140 B12R0.68 CCCS(=O)CC(=O)CC(O)CC 1458a_100011387404_100011218378 [1,1,0,0,0,0|2,0,0]=4 3141 B12R0.68 CCCS(=O)CC(=O)C[C@@H](C)CC 1458a_100011387404_100009816398 [1,1,0,0,0,0|2,0,0]=4 3142 B12R0.68 CCNC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000183381 [1,1,0,0,0,0|1,0,0]=3 3143 B12R0.68 CCNC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000183381 [1,1,0,0,0,0|1,0,0]=3 3144 B12R0.68 CCNC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000183381 [1,1,0,0,0,0|2,0,0]=4 3145 B12R0.68 CCOC(=O)CC(=O)C=C(C)CC 1458a_100020758463_100000188475 [1,1,0,0,0,0|0,0,2]=4 3146 B12R0.68 CCOC(=O)CC(=O)CC(=O)CC 1458a_100000243816_100000747405 [1,1,0,0,0,0|0,0,1]=3 3147 B12R0.68 CCOC(=O)CC(=O)CC(=O)NC 1458a_100000243816_100000183359 [1,1,0,0,0,0|1,0,1]=4 3148 B12R0.68 CCOC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000188475 [1,1,0,0,0,0|1,0,1]=4 3149 B12R0.68 CCOC(=O)CC(=O)CC(=O)OC 1458a_100000243816_100000747449 [1,1,0,0,0,0|1,0,1]=4 3150 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000243816_100000748023 [1,1,0,0,0,0|0,0,0]=2 3151 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000188475 [1,1,0,0,0,0|0,0,0]=2 3152 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100000243816_100011218378 [1,1,0,0,0,0|0,0,0]=2 3153 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000188475 [1,1,0,0,0,0|0,0,0]=2 3154 B12R0.68 CCOC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000188475 [1,1,0,0,0,0|1,0,0]=3 3155 B12R0.68 CCOC(=O)CC(=O)CN(C)CC 269982a_100000225621_100000210311 [1,1,0,0,0,0|1,0,0]=3 3156 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CC 1458a_100000243816_100009816398 [1,1,0,0,0,0|0,0,0]=2 3157 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CO 1458a_100000243816_100000059175 [1,1,0,0,0,0|1,0,0]=3 3158 B12R0.68 CCOC(=O)CC(=O)NC(C)CC 240690a_100000209981_100000243816 [1,1,0,0,0,0|1,0,0]=3 3159 B12R0.68 CCOC(=O)CC(=O)N[C@H](C)CF 240690a_100102880703_100000243816 [1,1,0,0,0,0|2,0,0]=4 3160 B12R0.68 CCOC(=O)CC(=O)N[C@H](C)CO 240690a_100000737577_100000243816 [1,1,0,0,0,0|2,0,0]=4 3161 B12R0.68 CCOC(=O)CC(C)OC(C)CC 7a_100000210228_100009817359 [1,1,0,0,0,0|1,0,1]=4 3162 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000220588_100000748023 [1,1,0,0,0,0|2,0,0]=4 3163 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000753921_100000188475 [1,1,0,0,0,0|2,0,0]=4 3164 B12R0.68 CCOC(=O)CN(C)CC(C)CC 269982a_100000753921_100000188475 [1,1,0,0,0,0|2,0,0]=4 3165 B12R0.68 CCOC(=O)CN(C)CC(C)CC 270004a_100000220588_100000243153 [1,1,0,0,0,0|2,0,0]=4 3166 B12R0.68 CCOC(=O)CN(C)CC(O)CC 2230a_100000220588_100011218378 [1,1,0,0,0,0|2,0,0]=4 3167 B12R0.68 CCOC(=O)CN(C)C[C@@H](C)CC 2230a_100000220588_100009816398 [1,1,0,0,0,0|2,0,0]=4 3168 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CC 7a_100009816390_100000758301 [1,1,0,0,0,0|1,0,1]=4 3169 B12R0.68 CCOC(=O)NC(=O)CC(=O)CC 1458a_100000210414_100000010344 [1,1,0,0,0,0|1,0,1]=4 3170 B12R0.68 CCOC(=O)NC(=O)CN(C)CC 269982a_100000225621_100000010344 [1,1,0,0,0,0|2,0,0]=4 3171 B12R0.69 C=C(CCC)CC(=O)C(C)CCC 1458a_100000138376_100000766640 [1,1,0,0,0,0|2,0,0]=4 3172 B12R0.69 C=CCC(C)C(=O)CC(=O)OCC 1458a_100011216819_100000188475 [1,1,0,0,0,0|0,0,2]=4 3173 B12R0.69 C=COC(=O)CC(=O)C(C)CCC 1458a_100000210906_100000036128 [1,1,0,0,0,0|0,0,2]=4 3174 B12R0.69 C=COC(=O)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000036128 [1,1,0,0,0,0|0,0,2]=4 3175 B12R0.69 CC/C=C(\C)/C(=O)CC(=O)OCC 1458a_100016988807_100000188475 [1,1,0,0,0,0|0,0,2]=4 3176 B12R0.69 CCCC(=O)CC(=O)C(C)CCC 1458a_100000210906_100000747444 [1,1,0,0,0,0|1,0,0]=3 3177 B12R0.69 CCCC(=O)CC(=O)C(C)COC 1458a_100000751857_100000747444 [1,1,0,0,0,0|2,0,0]=4 3178 B12R0.69 CCCC(=O)CC(=O)C(C)CSC 1458a_100000753918_100000747444 [1,1,0,0,0,0|2,0,0]=4 3179 B12R0.69 CCCC(=O)CC(=O)C(C)OCC 1458a_100000739345_100000747444 [1,1,0,0,0,0|2,0,0]=4 3180 B12R0.69 CCCC(=O)CC(=O)C(C)SCC 1458a_100000230601_100000747444 [1,1,0,0,0,0|2,0,0]=4 3181 B12R0.69 CCCC(=O)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000747444 [1,1,0,0,0,0|1,0,0]=3 3182 B12R0.69 CCCC(C)C(=O)CC(=O)NCC 1458a_100000210906_100000183381 [1,1,0,0,0,0|1,0,0]=3 3183 B12R0.69 CCCC(C)C(=O)CC(=O)NCO 1458a_100000210906_100000185155 [1,1,0,0,0,0|2,0,0]=4 3184 B12R0.69 CCCC(C)C(=O)CC(=O)OCC 1458a_100000210906_100000188475 [1,1,0,0,0,0|0,0,0]=2 3185 B12R0.69 CCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_100000766640 [1,1,0,0,0,0|0,0,0]=2 3186 B12R0.69 CCCC(C)C(=O)CS(=O)CCC 1458a_100011387404_100000766640 [1,1,0,0,0,0|2,0,0]=4 3187 B12R0.69 CCCC(C)N(C)CC(=O)OCC 2230a_100000220588_100000766640 [1,1,0,0,0,0|2,0,0]=4 3188 B12R0.69 CCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000211909 [1,1,0,0,0,0|2,0,0]=4 3189 B12R0.69 CCCN(C)C(=O)CC(=O)OCC 240690a_100000747261_100000243816 [1,1,0,0,0,0|1,0,0]=3 3190 B12R0.69 CCC[C@H](O)C(=O)CC(=O)NCC 1458a_100009822183_100000183381 [1,1,0,0,0,0|1,0,0]=3 3191 B12R0.69 CCC[C@H](O)C(=O)CC(=O)NCO 1458a_100009822183_100000185155 [1,1,0,0,0,0|2,0,0]=4 3192 B12R0.69 CCC[C@H](O)C(=O)CC(=O)OCC 1458a_100009822183_100000188475 [1,1,0,0,0,0|0,0,0]=2 3193 B12R0.69 CCNC(=O)C(=O)CC(=O)OCC 1458a_200011297158_100000188475 [1,1,0,0,0,0|1,0,1]=4 3194 B12R0.69 CCNC(=O)CC(=O)C(C)COC 1458a_100000751857_100000183381 [1,1,0,0,0,0|2,0,0]=4 3195 B12R0.69 CCNC(=O)CC(=O)C(C)CSC 1458a_100000753918_100000183381 [1,1,0,0,0,0|2,0,0]=4 3196 B12R0.69 CCNC(=O)CC(=O)C(C)OCC 1458a_100000739345_100000183381 [1,1,0,0,0,0|2,0,0]=4 3197 B12R0.69 CCNC(=O)CC(=O)C(C)SCC 1458a_100000230601_100000183381 [1,1,0,0,0,0|2,0,0]=4 3198 B12R0.69 CCOC(=O)CC(=O)C(C)CC#N 1458a_100000243816_100009813641 [1,1,0,0,0,0|1,0,1]=4 3199 B12R0.69 CCOC(=O)CC(=O)C(C)CCO 1458a_100000243816_100009893172 [1,1,0,0,0,0|1,0,0]=3 3200 B12R0.69 CCOC(=O)CC(=O)C(C)COC 1458a_100000243816_100000765312 [1,1,0,0,0,0|1,0,0]=3 3201 B12R0.69 CCOC(=O)CC(=O)C(C)COC 1458a_100000751857_100000188475 [1,1,0,0,0,0|1,0,0]=3 3202 B12R0.69 CCOC(=O)CC(=O)C(C)CSC 1458a_100000753918_100000188475 [1,1,0,0,0,0|1,0,0]=3 3203 B12R0.69 CCOC(=O)CC(=O)C(C)OCC 1458a_100000739345_100000188475 [1,1,0,0,0,0|1,0,0]=3 3204 B12R0.69 CCOC(=O)CC(=O)C(C)SCC 1458a_100000230601_100000188475 [1,1,0,0,0,0|1,0,0]=3 3205 B12R0.69 CCOC(=O)CC(=O)C(C)SCC 62a_100000210202_100010090504 [1,1,0,0,0,0|1,0,0]=3 3206 B12R0.69 CCOC(=O)CC(=O)C(C)SCC 62a_100010090504_100000210202 [1,1,0,0,0,0|1,0,0]=3 3207 B12R0.69 CCOC(=O)CC(=O)C(C)SCF 62a_100010090504_100015361967 [1,1,0,0,0,0|2,0,0]=4 3208 B12R0.69 CCOC(=O)CC(=O)C(C)SCF 62a_100015361967_100010090504 [1,1,0,0,0,0|2,0,0]=4 3209 B12R0.69 CCOC(=O)CC(=O)N(C)CCO 240690a_100000210263_100000243816 [1,1,0,0,0,0|2,0,0]=4 3210 B12R0.103 C#CCCC(=O)CC(=O)OCCC 1458a_100000692101_200011215008 [1,1,0,0,0,0|0,0,2]=4 3211 B12R0.103 C=C(CC(=O)CCCC)OCOC 1458a_100000210183_100000042856 [1,1,0,0,0,0|1,0,0]=3 3212 B12R0.103 C=C(CC(=O)CCOC)OCOC 1458a_100000749529_100000042856 [1,1,0,0,0,0|2,0,0]=4 3213 B12R0.103 C=C(CC(=O)CCSC)OCOC 1458a_100000174002_100000042856 [1,1,0,0,0,0|2,0,0]=4 3214 B12R0.103 C=C(CC(=O)COCC)OCOC 1458a_100000211967_100000042856 [1,1,0,0,0,0|2,0,0]=4 3215 B12R0.103 C=C(CC(=O)CSCC)OCOC 1458a_100000230394_100000042856 [1,1,0,0,0,0|2,0,0]=4 3216 B12R0.103 C=CCCC(=O)CC(=O)OCCC 1458a_100000749702_200011215008 [1,1,0,0,0,0|0,0,2]=4 3217 B12R0.103 C=CCNC(=O)CC(=O)CCCC 1458a_100000210183_100000183597 [1,1,0,0,0,0|1,0,1]=4 3218 B12R0.103 C=CCOC(=O)CC(=O)CCCC 1458a_100000210183_100000033060 [1,1,0,0,0,0|0,0,1]=3 3219 B12R0.103 C=CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000033060 [1,1,0,0,0,0|1,0,1]=4 3220 B12R0.103 C=CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000033060 [1,1,0,0,0,0|1,0,1]=4 3221 B12R0.103 C=CCOC(=O)CC(=O)COCC 1458a_100000211967_100000033060 [1,1,0,0,0,0|0,0,2]=4 3222 B12R0.103 C=CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000033060 [1,1,0,0,0,0|1,0,1]=4 3223 B12R0.103 CC=CCC(=O)CC(=O)OCCC 1458a_100121576822_200011215008 [1,1,0,0,0,0|0,0,2]=4 3224 B12R0.103 CCC#CC(=O)CC(=O)NCCC 1458a_100011827653_100000183358 [1,1,0,0,0,0|2,0,0]=4 3225 B12R0.103 CCC#CC(=O)CC(=O)OCCC 1458a_100011827653_200011215008 [1,1,0,0,0,0|1,0,0]=3 3226 B12R0.103 CCC=CC(=O)CC(=O)NCCC 1458a_100000212282_100000183358 [1,1,0,0,0,0|2,0,0]=4 3227 B12R0.103 CCC=CC(=O)CC(=O)OCCC 1458a_100000212282_200011215008 [1,1,0,0,0,0|1,0,0]=3 3228 B12R0.103 CCCCC(=O)CC(=O)NCC#N 1458a_100000210183_100000736037 [1,1,0,0,0,0|1,0,1]=4 3229 B12R0.103 CCCCC(=O)CC(=O)NCCC 1458a_100000210183_100000183358 [1,1,0,0,0,0|1,0,0]=3 3230 B12R0.103 CCCCC(=O)CC(=O)OCCC 1458a_100000210183_200011215008 [1,1,0,0,0,0|0,0,0]=2 3231 B12R0.103 CCCCN(C)CC(=O)OCCC 2230a_100000207549_200011215008 [1,1,0,0,0,0|2,0,0]=4 3232 B12R0.103 CCCCN(C)CC(=O)OCCC 269982a_100000207549_200011215008 [1,1,0,0,0,0|2,0,0]=4 3233 B12R0.103 CCCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183358 [1,1,0,0,0,0|2,0,0]=4 3234 B12R0.103 CCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183358 [1,1,0,0,0,0|2,0,0]=4 3235 B12R0.103 CCCNC(=O)CC(=O)COCC 1458a_100000211967_100000183358 [1,1,0,0,0,0|1,0,0]=3 3236 B12R0.103 CCCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183358 [1,1,0,0,0,0|1,1,0]=4 3237 B12R0.103 CCCOC(=O)CC(=NNCC)C 4a_100000756455_200000037925 [1,1,0,0,0,0|2,0,0]=4 3238 B12R0.103 CCCOC(=O)CC(=O)C#CCO 1458a_100000049017_200011215008 [1,1,0,0,0,0|1,0,1]=4 3239 B12R0.103 CCCOC(=O)CC(=O)C=COC 1458a_100016268678_200011215008 [1,1,0,0,0,0|1,0,1]=4 3240 B12R0.103 CCCOC(=O)CC(=O)CCC#N 1458a_100011934036_200011215008 [1,1,0,0,0,0|1,0,1]=4 3241 B12R0.103 CCCOC(=O)CC(=O)CCOC 1458a_100000749529_200011215008 [1,1,0,0,0,0|1,0,0]=3 3242 B12R0.103 CCCOC(=O)CC(=O)CCSC 1458a_100000174002_200011215008 [1,1,0,0,0,0|1,0,0]=3 3243 B12R0.103 CCCOC(=O)CC(=O)COCC 1458a_100000211967_200011215008 [1,1,0,0,0,0|0,0,0]=2 3244 B12R0.103 CCCOC(=O)CC(=O)CSCC 1458a_100000230394_200011215008 [1,1,0,0,0,0|0,1,0]=3 3245 B12R0.134 C/C=C(\C)/C(=O)CC(=O)OCCC 1458a_100020587367_200011215008 [1,1,0,0,0,0|1,0,1]=4 3246 B12R0.134 CCCCC(=O)CC(=O)N(C)CC 1458a_100000210183_100011894763 [1,1,0,0,0,0|1,0,0]=3 3247 B12R0.134 CCCCC(=O)CC(=O)N(C)OC 1458a_100000210183_100000764215 [1,1,0,0,0,0|2,0,0]=4 3248 B12R0.134 CCCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183358 [1,1,0,0,0,0|2,0,0]=4 3249 B12R0.134 CCCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183358 [1,1,0,0,0,0|2,0,0]=4 3250 B12R0.134 CCCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_200011215008 [1,1,0,0,0,0|2,0,0]=4 3251 B12R0.134 CCCOC(=O)CC(=O)C(C)CC 1458a_100011192722_200011215008 [1,1,0,0,0,0|1,0,0]=3 3252 B12R0.134 CCCOC(=O)CC(=O)C(C)OC 1458a_100000743197_200011215008 [1,1,0,0,0,0|2,0,0]=4 3253 B12R0.134 CCCOC(=O)CC(=O)C(C)SC 1458a_100000149566_200011215008 [1,1,0,0,0,0|2,0,0]=4 3254 B12R0.134 CCCOC(=O)CC(=O)C(O)CC 1458a_100011196387_200011215008 [1,1,0,0,0,0|1,0,0]=3 3255 B12R0.134 CCCOC(=O)CC(=O)C(O)CO 1458a_100011215603_200011215008 [1,1,0,0,0,0|2,0,0]=4 3256 B12R0.134 CCN(C)C(=O)CC(=O)CCOC 1458a_100000749529_100011894763 [1,1,0,0,0,0|2,0,0]=4 3257 B12R0.134 CCN(C)C(=O)CC(=O)CCSC 1458a_100000174002_100011894763 [1,1,0,0,0,0|2,0,0]=4 3258 B12R0.134 CCOCC(=O)CC(=O)N(C)CC 1458a_100000211967_100011894763 [1,1,0,0,0,0|2,0,0]=4 3259 B12R0.134 CCSCC(=O)CC(=O)N(C)CC 1458a_100000230394_100011894763 [1,1,0,0,0,0|2,0,0]=4 3260 B12R0.283 C=C(C)CCC(=O)CC(=O)CCC 1458a_200000688413_100000747444 [1,1,0,0,0,0|1,0,1]=4 3261 B12R0.283 C=C(C)CCC(=O)CC(=O)NCC 1458a_200000688413_100000183381 [1,1,0,0,0,0|1,0,1]=4 3262 B12R0.283 C=C(C)CCC(=O)CC(=O)OCC 1458a_100000243816_100000730704 [1,1,0,0,0,0|0,0,1]=3 3263 B12R0.283 C=C(C)CCC(=O)CC(=O)OCC 1458a_200000688413_100000188475 [1,1,0,0,0,0|0,0,1]=3 3264 B12R0.283 C=C(C)CNC(=O)CC(=O)OCC 240690a_100000765925_100000243816 [1,1,0,0,0,0|1,0,1]=4 3265 B12R0.283 C=C(CCC)CC(=O)CCC(C)C 1458a_100000138376_100000210312 [1,1,0,0,0,0|2,0,0]=4 3266 B12R0.283 C=C(CCC)CC(=O)CCC(C)O 1458a_100000138376_100012276601 [1,1,0,0,0,0|2,0,0]=4 3267 B12R0.283 C=COC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000036128 [1,1,0,0,0,0|0,0,2]=4 3268 B12R0.283 CC(C)CCC(=O)CC(=O)NCO 1458a_100000181311_100000185155 [1,1,0,0,0,0|2,0,0]=4 3269 B12R0.283 CCCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747444 [1,1,0,0,0,0|1,0,0]=3 3270 B12R0.283 CCCC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747444 [1,1,0,0,0,0|2,0,0]=4 3271 B12R0.283 CCCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747444 [1,1,0,0,0,0|2,0,0]=4 3272 B12R0.283 CCCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747444 [1,1,0,0,0,0|2,0,0]=4 3273 B12R0.283 CCCC(=O)CC(=O)NCC(C)C 1458a_100000211992_100000183291 [1,1,0,0,0,0|2,0,0]=4 3274 B12R0.283 CCCS(=O)CC(=O)CCC(C)C 1458a_100011387404_100000210312 [1,1,0,0,0,0|2,0,0]=4 3275 B12R0.283 CCCS(=O)CC(=O)CCC(C)O 1458a_100011387404_100012276601 [1,1,0,0,0,0|2,0,0]=4 3276 B12R0.283 CCNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183381 [1,1,0,0,0,0|1,0,0]=3 3277 B12R0.283 CCNC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000183381 [1,1,0,0,0,0|2,0,0]=4 3278 B12R0.283 CCNC(=O)CC(=O)COC(C)C 1458a_100000745533_100000183381 [1,1,0,0,0,0|2,0,0]=4 3279 B12R0.283 CCNC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000183381 [1,1,0,0,0,0|2,0,0]=4 3280 B12R0.283 CCOC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000188475 [1,1,0,0,0,0|0,0,2]=4 3281 B12R0.283 CCOC(=O)CC(=O)CC=C(C)C 1458a_100000243816_100000761012 [1,1,0,0,0,0|0,0,2]=4 3282 B12R0.283 CCOC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000188475 [1,1,0,0,0,0|0,0,2]=4 3283 B12R0.283 CCOC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000188475 [1,1,0,0,0,0|1,0,1]=4 3284 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000188475 [1,1,0,0,0,0|0,0,0]=2 3285 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000243816_100000210312 [1,1,0,0,0,0|0,0,0]=2 3286 B12R0.283 CCOC(=O)CC(=O)CCC(C)O 1458a_100000243816_100012276601 [1,1,0,0,0,0|0,0,0]=2 3287 B12R0.283 CCOC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000188475 [1,1,0,0,0,0|2,0,0]=4 3288 B12R0.283 CCOC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000188475 [1,1,0,0,0,0|1,0,0]=3 3289 B12R0.283 CCOC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000188475 [1,1,0,0,0,0|1,0,1]=4 3290 B12R0.283 CCOC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000188475 [1,1,0,0,0,0|1,0,1]=4 3291 B12R0.283 CCOC(=O)CC(=O)COC(C)C 1458a_100000745533_100000188475 [1,1,0,0,0,0|1,0,0]=3 3292 B12R0.283 CCOC(=O)CC(=O)COC(F)F 1458a_200000719455_100000188475 [1,1,0,0,0,0|2,0,0]=4 3293 B12R0.283 CCOC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000188475 [1,1,0,0,0,0|1,0,1]=4 3294 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000188475 [1,1,0,0,0,0|1,0,0]=3 3295 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210206_100000210311 [1,1,0,0,0,0|1,0,0]=3 3296 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210311_100000210206 [1,1,0,0,0,0|1,0,0]=3 3297 B12R0.283 CCOC(=O)CC(=O)CSC(F)F 1458a_114828291038_100000188475 [1,1,0,0,0,0|2,0,0]=4 3298 B12R0.283 CCOC(=O)CC(=O)NCC(C)C 240690a_100000210953_100000243816 [1,1,0,0,0,0|1,0,0]=3 3299 B12R0.283 CCOC(=O)CC(=O)NCC(C)O 240690a_100000210904_100000243816 [1,1,0,0,0,0|1,0,0]=3 3300 B12R0.283 CCOC(=O)CC(=O)NCC(F)F 240690a_100000765723_100000243816 [1,1,0,0,0,0|2,0,0]=4 3301 B12R0.283 CCOC(=O)CC(=O)NNC(C)C 22a_100000741168_100000243816 [1,1,0,0,0,0|2,0,0]=4 3302 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000220588_100000210312 [1,1,0,0,0,0|2,0,0]=4 3303 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000742789_100000188475 [1,1,0,0,0,0|2,0,0]=4 3304 B12R0.283 CCOC(=O)CN(C)CCC(C)C 269982a_100000742789_100000188475 [1,1,0,0,0,0|2,0,0]=4 3305 B12R0.283 CCOC(=O)CN(C)CCC(C)O 2230a_100000220588_100012276601 [1,1,0,0,0,0|2,0,0]=4 3306 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)C 7a_100009816390_100000210760 [1,1,0,0,0,0|1,0,1]=4 3307 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)O 7a_100009816390_100011218427 [1,1,0,0,0,0|1,0,1]=4 3308 B12R0.283 CCOC(=O)C[C@@H](C)OC[C@@H](C)O 7a_100009816390_100009817552 [1,1,0,0,0,0|1,0,1]=4 3309 B12R0.283 CCOC(=O)NC(=O)CSC(C)C 62a_100000210206_100000010344 [1,1,0,0,0,0|2,0,0]=4 3310 B12R0.353 C#CCCC(=O)C(C)C(=O)OCC 1458a_100000692101_100011216346 [1,1,0,0,0,0|0,0,2]=4 3311 B12R0.353 C#CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000753159 [1,1,0,0,0,0|0,0,2]=4 3312 B12R0.353 C#CCCC(=O)C(F)C(=O)OCC 1458a_100000692101_100000760018 [1,1,0,0,0,0|0,0,2]=4 3313 B12R0.353 C/C=C/CC(=O)C(C)C(=O)OCC 1458a_100132301724_100102629194 [1,1,0,0,0,0|0,0,2]=4 3314 B12R0.353 C=CCCC(=O)C(C)C(=O)OCC 1458a_100000749702_100011216346 [1,1,0,0,0,0|0,0,2]=4 3315 B12R0.353 C=CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000754431 [1,1,0,0,0,0|0,0,2]=4 3316 B12R0.353 C=CCCC(=O)C(F)C(=O)OCC 1458a_100000749702_100000760018 [1,1,0,0,0,0|0,0,2]=4 3317 B12R0.353 CC#CC(=O)C(C)C(=O)OCCC 1458a_100000763181_100000760410 [1,1,0,0,0,0|1,0,1]=4 3318 B12R0.353 CC#CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000748600 [1,1,0,0,0,0|0,0,2]=4 3319 B12R0.353 CC=CC(=O)C(C)C(=O)OCCC 1458a_100000210699_100000760410 [1,1,0,0,0,0|1,0,1]=4 3320 B12R0.353 CC=CCC(=O)C(C)C(=O)OCC 1458a_100121576822_100011216346 [1,1,0,0,0,0|0,0,2]=4 3321 B12R0.353 CC=CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000070051 [1,1,0,0,0,0|0,0,2]=4 3322 B12R0.353 CC=CCC(=O)C(F)C(=O)OCC 1458a_100121576822_100000760018 [1,1,0,0,0,0|0,0,2]=4 3323 B12R0.353 CCC#CC(=O)C(C)C(=O)OCC 1458a_100011827653_100011216346 [1,1,0,0,0,0|0,0,2]=4 3324 B12R0.353 CCC#CC(=O)C(F)C(=O)OCC 1458a_100011827653_100000760018 [1,1,0,0,0,0|0,0,2]=4 3325 B12R0.353 CCC=CC(=O)C(C)C(=O)OCC 1458a_100000212282_100011216346 [1,1,0,0,0,0|0,0,2]=4 3326 B12R0.353 CCC=CC(=O)C(F)C(=O)OCC 1458a_100000212282_100000760018 [1,1,0,0,0,0|0,0,2]=4 3327 B12R0.353 CCCCC(=O)C(C)C(=O)NCC 1458a_100000210183_100000230173 [1,1,0,0,0,0|1,0,0]=3 3328 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100000210183_100011216346 [1,1,0,0,0,0|0,0,0]=2 3329 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210211 [1,1,0,0,0,0|0,0,0]=2 3330 B12R0.353 CCCCC(=O)C(F)C(=O)OCC 1458a_100000210183_100000760018 [1,1,0,0,0,0|0,0,0]=2 3331 B12R0.353 CCCCN(C)C(C)C(=O)OCC 2230a_100000207549_100011215307 [1,1,0,0,0,0|2,0,0]=4 3332 B12R0.353 CCCCN(C)C(C)C(=O)OCC 269982a_100000207549_100011216346 [1,1,0,0,0,0|2,0,0]=4 3333 B12R0.353 CCCCN(C)C(F)C(=O)OCC 2230a_100000207549_100000760018 [1,1,0,0,0,0|2,0,0]=4 3334 B12R0.353 CCCCN(C)C(F)C(=O)OCC 269982a_100000207549_100000760018 [1,1,0,0,0,0|2,0,0]=4 3335 B12R0.353 CCCNC(=O)C(C)C(=O)CCC 1458a_100000211992_100000230305 [1,1,0,0,0,0|2,0,0]=4 3336 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 11a_100020643023_100132301724 [1,1,0,0,0,0|1,0,0]=3 3337 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 1626a_100020643023_100132301724 [1,1,0,0,0,0|1,0,0]=3 3338 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 240690a_100020643023_100132301724 [1,1,0,0,0,0|1,0,0]=3 3339 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 527a_100020643023_100132301724 [1,1,0,0,0,0|1,0,0]=3 3340 B12R0.353 CCCOC(=O)C(C)C(=O)CCC 1458a_100000211992_100000760410 [1,1,0,0,0,0|1,0,0]=3 3341 B12R0.353 CCCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100000760410 [1,1,0,0,0,0|2,0,0]=4 3342 B12R0.353 CCCOC(=O)C(C)C(=O)COC 1458a_100000210968_100000760410 [1,1,0,0,0,0|2,0,0]=4 3343 B12R0.353 CCCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100000760410 [1,1,0,0,0,0|2,0,0]=4 3344 B12R0.353 CCNC(=O)C(C)C(=O)CCOC 1458a_100000749529_100000230173 [1,1,0,0,0,0|2,0,0]=4 3345 B12R0.353 CCNC(=O)C(C)C(=O)CCSC 1458a_100000174002_100000230173 [1,1,0,0,0,0|2,0,0]=4 3346 B12R0.353 CCNC(=O)C(C)C(=O)COCC 1458a_100000211967_100000230173 [1,1,0,0,0,0|2,0,0]=4 3347 B12R0.353 CCNC(=O)C(C)C(=O)CSCC 1458a_100000230394_100000230173 [1,1,0,0,0,0|2,0,0]=4 3348 B12R0.353 CCNNC(=O)C(C)C(=O)OCC 22a_100000756455_100132301724 [1,1,0,0,0,0|2,0,0]=4 3349 B12R0.353 CCOC(=O)C(C)C(=O)CCC#N 1458a_100011934036_100011216346 [1,1,0,0,0,0|1,0,1]=4 3350 B12R0.353 CCOC(=O)C(C)C(=O)CCC#N 1458a_100132301724_100011215226 [1,1,0,0,0,0|1,0,1]=4 3351 B12R0.353 CCOC(=O)C(C)C(=O)CCCF 1458a_100132301724_100011934791 [1,1,0,0,0,0|1,0,0]=3 3352 B12R0.353 CCOC(=O)C(C)C(=O)CCCO 1458a_100132301724_100011215043 [1,1,0,0,0,0|1,0,0]=3 3353 B12R0.353 CCOC(=O)C(C)C(=O)CCOC 1458a_100000749529_100011216346 [1,1,0,0,0,0|1,0,0]=3 3354 B12R0.353 CCOC(=O)C(C)C(=O)CCOC 1458a_100132301724_100000233755 [1,1,0,0,0,0|1,0,0]=3 3355 B12R0.353 CCOC(=O)C(C)C(=O)CCSC 1458a_100000174002_100011216346 [1,1,0,0,0,0|1,0,0]=3 3356 B12R0.353 CCOC(=O)C(C)C(=O)CCSC 1458a_100132301724_100000751147 [1,1,0,0,0,0|1,0,0]=3 3357 B12R0.353 CCOC(=O)C(C)C(=O)CSCC 1458a_100000230394_100011216346 [1,1,0,0,0,0|1,0,0]=3 3358 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 11a_100000724931_100132301724 [1,1,0,0,0,0|2,0,0]=4 3359 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 1626a_100000724931_100132301724 [1,1,0,0,0,0|2,0,0]=4 3360 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 240690a_100000724931_100132301724 [1,1,0,0,0,0|2,0,0]=4 3361 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 527a_100000724931_100132301724 [1,1,0,0,0,0|2,0,0]=4 3362 B12R0.353 CCOC(=O)C(C)C(=O)NCCO 240690a_100000210304_100132301724 [1,1,0,0,0,0|2,0,0]=4 3363 B12R0.353 CCOC(=O)C(C)C(=O)NCCO 527a_100000210304_100132301724 [1,1,0,0,0,0|2,0,0]=4 3364 B12R0.353 CCOC(=O)C(F)C(=O)CCC#N 1458a_100011934036_100000760018 [1,1,0,0,0,0|1,0,1]=4 3365 B12R0.353 CCOC(=O)C(F)C(=O)CCOC 1458a_100000749529_100000760018 [1,1,0,0,0,0|1,0,0]=3 3366 B12R0.353 CCOC(=O)C(F)C(=O)CCSC 1458a_100000174002_100000760018 [1,1,0,0,0,0|1,0,0]=3 3367 B12R0.353 CCOC(=O)C(F)C(=O)CSCC 1458a_100000230394_100000760018 [1,1,0,0,0,0|1,0,0]=3 3368 B12R0.353 CCOCC(=O)C(C)C(=O)OCC 1458a_100000211967_100011216346 [1,1,0,0,0,0|1,0,0]=3 3369 B12R0.353 CCOCC(=O)C(F)C(=O)OCC 1458a_100000211967_100000760018 [1,1,0,0,0,0|1,0,0]=3 3370 B12R0.453 CCCCC(=O)C[Si](C)(C)OCC 1458a_100000210183_200000065227 [1,1,0,0,0,0|1,1,0]=4 3371 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000207695_100000188475 [1,1,0,0,0,0|2,0,0]=4 3372 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210211 [1,1,0,0,0,0|2,0,0]=4 3373 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000207695_100000188475 [1,1,0,0,0,0|2,0,0]=4 3374 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210211 [1,1,0,0,0,0|2,0,0]=4 3375 B12R0.607 CCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210303 [1,1,0,0,0,0|1,0,1]=4 3376 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC 270084a_100020643023_100000738689 [1,1,0,0,0,0|2,0,0]=4 3377 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC 274078a_100020643023_100000738689 [1,1,0,0,0,0|2,0,0]=4 3378 B12R0.661 CCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210303 [1,1,0,0,0,0|1,0,1]=4 3379 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [1,1,0,0,0,0|2,0,0]=4 3380 B12R0.47 CC/C=C/CC(=O)CCCCCF 1458a_100016274230_100000729378 [1,1,0,0,0,0|2,0,0]=4 3381 B12R0.47 CC/C=C/CC(=O)CCCCCO 1458a_100016274230_100000746330 [1,1,0,0,0,0|2,0,0]=4 3382 B12R0.47 CC/C=C/CC(=O)CCCCOC 1458a_100016274230_100000755781 [1,1,0,0,0,0|2,0,0]=4 3383 B12R0.47 CC/C=C/CC(=O)CCCOCC 1458a_100016274230_100012232248 [1,1,0,0,0,0|2,0,0]=4 3384 B12R0.47 CC/C=C/CC(=O)CCOCCC 1458a_100016274230_100011215938 [1,1,0,0,0,0|2,0,0]=4 3385 B12R0.47 CC/C=C/CC(=O)COCCCC 1458a_100016274230_100011995733 [1,1,0,0,0,0|1,0,0]=3 3386 B12R0.47 CC/C=C/CC(=O)NCCCCC 11a_100000209983_100016274230 [1,1,0,0,0,0|2,0,0]=4 3387 B12R0.47 CC/C=C/CC(=O)NCCCCC 1626a_100000209983_100016274230 [1,1,0,0,0,0|2,0,0]=4 3388 B12R0.47 CC/C=C/CC(=O)NCCCCC 240690a_100000209983_100016274230 [1,1,0,0,0,0|2,0,0]=4 3389 B12R0.47 CC/C=C/CC(=O)NCCCCC 527a_100000209983_100016274230 [1,1,0,0,0,0|2,0,0]=4 3390 B12R0.47 CC/C=C/CC(=O)NCCCCO 240690a_100000750430_100016274230 [1,1,0,0,0,0|2,0,0]=4 3391 B12R0.47 CC/C=C/CC(=O)NCCCCO 527a_100000750430_100016274230 [1,1,0,0,0,0|2,0,0]=4 3392 B12R0.47 CC/C=C/CC(=O)NCCCOC 1626a_100150723488_100016274230 [1,1,0,0,0,0|2,0,0]=4 3393 B12R0.47 CC/C=C/CC(=O)NCCCOC 240690a_100150723488_100016274230 [1,1,0,0,0,0|2,0,0]=4 3394 B12R0.47 CC/C=C/CC(=O)NCCCOC 527a_100150723488_100016274230 [1,1,0,0,0,0|2,0,0]=4 3395 B12R0.47 CC/C=C/CC(=O)NCCCSC 11a_100000749238_100016274230 [1,1,0,0,0,0|2,0,0]=4 3396 B12R0.47 CC/C=C/CC(=O)NCCCSC 1626a_100000749238_100016274230 [1,1,0,0,0,0|2,0,0]=4 3397 B12R0.47 CC/C=C/CC(=O)NCCCSC 240690a_100000749238_100016274230 [1,1,0,0,0,0|2,0,0]=4 3398 B12R0.47 CC/C=C/CC(=O)NCCCSC 527a_100000749238_100016274230 [1,1,0,0,0,0|2,0,0]=4 3399 B12R0.47 CC/C=C/CC(=O)NCCOCC 11a_100011200944_100016274230 [1,1,0,0,0,0|2,0,0]=4 3400 B12R0.47 CC/C=C/CC(=O)NCCOCC 1626a_102516460346_100016274230 [1,1,0,0,0,0|2,0,0]=4 3401 B12R0.47 CC/C=C/CC(=O)NCCOCC 240690a_100011200944_100016274230 [1,1,0,0,0,0|2,0,0]=4 3402 B12R0.47 CC/C=C/CC(=O)NCCOCC 527a_100011200944_100016274230 [1,1,0,0,0,0|2,0,0]=4 3403 B12R0.47 CC/C=C/CC(=O)NCCSCC 11a_100000106463_100016274230 [1,1,0,0,0,0|2,0,0]=4 3404 B12R0.47 CC/C=C/CC(=O)NCCSCC 1626a_100000106463_100016274230 [1,1,0,0,0,0|2,0,0]=4 3405 B12R0.47 CC/C=C/CC(=O)NCCSCC 240690a_100000106463_100016274230 [1,1,0,0,0,0|2,0,0]=4 3406 B12R0.47 CC/C=C/CC(=O)NCCSCC 527a_100000106463_100016274230 [1,1,0,0,0,0|2,0,0]=4 3407 B12R0.47 CC/C=C/CC(=O)NNCCCC 22a_100025702795_100016274230 [1,1,0,0,0,0|2,0,0]=4 3408 B12R0.47 CC/C=C\CC(=O)C=CCCCC 1458a_100016266645_100103147603 [1,1,0,0,0,0|2,0,0]=4 3409 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [1,1,0,0,0,0|2,0,0]=4 3410 B12R0.47 CC/C=C\CC(=O)CCCCCO 1458a_100102619762_100103147603 [1,1,0,0,0,0|2,0,0]=4 3411 B12R0.47 CC/C=C\CC(=O)COCCCC 1458a_100000757543_100103147603 [1,1,0,0,0,0|1,0,0]=3 3412 B12R0.47 CC/C=C\CC(=O)COCCOC 1458a_100000211095_100103147603 [1,1,0,0,0,0|2,0,0]=4 3413 B12R0.47 CC/C=C\CC(=O)CSCCCC 1458a_100000191162_100103147603 [1,1,0,0,0,0|1,1,0]=4 3414 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [1,1,0,0,0,0|2,0,0]=4 3415 B12R0.47 CCC#CCC(=O)COCCCC 1458a_100000757543_100009813939 [1,1,0,0,0,0|1,0,1]=4 3416 B12R0.47 CCC/C=C/CC(=O)CCCCC 1458a_200016266809_100000210326 [1,1,0,0,0,0|2,0,0]=4 3417 B12R0.47 CCC/C=C/CC(=O)NCCCC 11a_100000102301_200016266809 [1,1,0,0,0,0|2,0,0]=4 3418 B12R0.47 CCC/C=C/CC(=O)NCCCC 1626a_100000102301_200016266809 [1,1,0,0,0,0|2,0,0]=4 3419 B12R0.47 CCC/C=C/CC(=O)NCCCC 240690a_100000102301_200016266809 [1,1,0,0,0,0|2,0,0]=4 3420 B12R0.47 CCC/C=C/CC(=O)NCCCC 527a_100000102301_200016266809 [1,1,0,0,0,0|2,0,0]=4 3421 B12R0.47 CCCC=CC(=O)COCCCC 1458a_100000212230_100011995733 [1,1,0,0,0,0|1,0,1]=4 3422 B12R0.47 CCCCC=CC(=O)CCOCC 1458a_100016266645_100011215890 [1,1,0,0,0,0|1,0,1]=4 3423 B12R0.47 CCCCCC(=O)CCCOCC 1458a_100000212188_100012232248 [1,1,0,0,0,0|1,0,1]=4 3424 B12R0.47 CCCCCC(=O)CCOCCC 1458a_100000212188_100011215938 [1,1,0,0,0,0|1,0,1]=4 3425 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100000212188_100011215305 [1,1,0,0,0,0|1,0,1]=4 3426 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100011229844_100000210326 [1,1,0,0,0,0|1,0,1]=4 3427 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [1,1,0,0,0,0|1,0,1]=4 3428 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [1,1,0,0,0,0|1,0,1]=4 3429 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [1,1,0,0,0,0|1,0,1]=4 3430 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [1,1,0,0,0,0|1,0,1]=4 3431 B12R0.47 CCCCCC(=O)CSCOCC 62a_100000739092_200012276598 [1,1,0,0,0,0|1,0,1]=4 3432 B12R0.47 CCCCCC(=O)CSCOCC 62a_200012276598_100000739092 [1,1,0,0,0,0|1,0,1]=4 3433 B12R0.47 CCCCCC(=O)NCCOCC 11a_100011200944_100000212188 [1,1,0,0,0,0|1,0,1]=4 3434 B12R0.47 CCCCCC(=O)NCCOCC 1626a_102516460346_100000212188 [1,1,0,0,0,0|1,0,1]=4 3435 B12R0.47 CCCCCC(=O)NCCOCC 240690a_100011200944_100000212188 [1,1,0,0,0,0|1,0,1]=4 3436 B12R0.47 CCCCCC(=O)NCCOCC 527a_100011200944_100000212188 [1,1,0,0,0,0|1,0,1]=4 3437 B12R0.47 CCCCCCC(=O)C=COCC 1458a_100016266692_100000210757 [1,1,0,0,0,0|1,0,1]=4 3438 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [1,1,0,0,0,0|1,0,1]=4 3439 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [1,1,0,0,0,0|1,0,1]=4 3440 B12R0.47 CCCCCNC(=O)C=COCC 11a_100000209983_100016266692 [1,1,0,0,0,0|1,0,1]=4 3441 B12R0.47 CCCCCNC(=O)C=COCC 1626a_100000209983_100016266692 [1,1,0,0,0,0|1,0,1]=4 3442 B12R0.47 CCCCCNC(=O)C=COCC 240690a_100000209983_100016266692 [1,1,0,0,0,0|1,0,1]=4 3443 B12R0.47 CCCCCNC(=O)CCOCC 11a_100000209983_100000749530 [1,1,0,0,0,0|1,0,1]=4 3444 B12R0.47 CCCCCNC(=O)CCOCC 1626a_100000209983_100000749530 [1,1,0,0,0,0|1,0,1]=4 3445 B12R0.47 CCCCCNC(=O)CCOCC 240690a_100000209983_100000749530 [1,1,0,0,0,0|1,0,1]=4 3446 B12R0.47 CCCCCNC(=O)CCOCC 527a_100000209983_100000749530 [1,1,0,0,0,0|1,0,1]=4 3447 B12R0.47 CCCCNC(=O)CCOCCO 1626a_100000102301_100011229844 [1,1,0,0,0,0|1,0,1]=4 3448 B12R0.47 CCCCNC(=O)CCOCCO 240690a_100000102301_100011229844 [1,1,0,0,0,0|1,0,1]=4 3449 B12R0.47 CCCCNC(=O)CSCOCC 62a_100000182744_100000739092 [1,1,0,0,0,0|1,0,1]=4 3450 B12R0.47 CCCCNC(=O)CSCOCC 62a_100000739092_100000182744 [1,1,0,0,0,0|1,0,1]=4 3451 B12R0.47 CCCCNC(=O)NCCOCC 2708a_100000102301_100011200944 [1,1,0,0,0,0|1,0,1]=4 3452 B12R0.47 CCCCNC(=O)NCCOCC 2708a_100011200944_100000102301 [1,1,0,0,0,0|1,0,1]=4 3453 B12R0.47 CCCCNC(=O)NCCOCC 273464a_100000102301_102516460346 [1,1,0,0,0,0|1,0,1]=4 3454 B12R0.47 CCCCNC(=O)NCCOCC 273464a_102516460346_100000102301 [1,1,0,0,0,0|1,0,1]=4 3455 B12R0.47 CCCCNC(=O)NCCOCC 512a_100000102301_100011200944 [1,1,0,0,0,0|1,0,1]=4 3456 B12R0.47 CCCCNC(=O)NCCOCC 512a_100011200944_100000102301 [1,1,0,0,0,0|1,0,1]=4 3457 B12R0.47 CCCCNCC(=O)OCCCC 2230a_100000102301_100000211628 [1,1,0,0,0,0|1,0,1]=4 3458 B12R0.47 CCCCNCC(=O)OCCCC 7a_106832991798_100000211628 [1,1,0,0,0,0|1,0,1]=4 3459 B12R0.47 CCCCNNC(=O)C=COCC 22a_100025702795_100016266692 [1,1,0,0,0,0|1,0,1]=4 3460 B12R0.47 CCCCNNC(=O)CCOCC 22a_100025702795_100000749530 [1,1,0,0,0,0|1,0,1]=4 3461 B12R0.47 CCCCOC(=O)CNCCCF 2230a_100015189416_100000211628 [1,1,0,0,0,0|2,0,0]=4 3462 B12R0.47 CCCCOC(=O)CNCCCF 34a_100015189416_100000211628 [1,1,0,0,0,0|2,0,0]=4 3463 B12R0.47 CCCCOC(=O)CNCCOC 2230a_100000209980_100000211628 [1,1,0,0,0,0|2,0,0]=4 3464 B12R0.47 CCCCOC(=O)CNCCSC 2230a_100020590264_100000211628 [1,1,0,0,0,0|2,0,0]=4 3465 B12R0.47 CCCCOC(=O)COCCCBr 34a_100011217188_100000211628 [1,1,0,0,0,0|2,0,0]=4 3466 B12R0.47 CCCCOC(=O)COCCCCl 34a_100000230001_100000211628 [1,1,0,0,0,0|2,0,0]=4 3467 B12R0.47 CCCCOC(=O)COCCCF 34a_100000759539_100000211628 [1,1,0,0,0,0|2,0,0]=4 3468 B12R0.47 CCCCOC(=O)COCCCN 34a_100000182051_100000211628 [1,1,0,0,0,0|2,0,0]=4 3469 B12R0.47 CCCCOC(=O)COCCOC 34a_100000210237_100000211628 [1,1,0,0,0,0|2,0,0]=4 3470 B12R0.47 CCCCOC(=O)COCCSC 34a_100000230434_100000211628 [1,1,0,0,0,0|2,0,0]=4 3471 B12R0.47 CCCCOC(=O)COCCSC 7a_100000230434_100000211628 [1,1,0,0,0,0|2,0,0]=4 3472 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000210211_100000211628 [1,1,0,0,0,0|1,0,1]=4 3473 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000211628_100000210210 [1,1,0,0,0,0|1,0,1]=4 3474 B12R0.47 CCCCOC(=O)CSCCCF 62a_100000211628_100011934791 [1,1,0,0,0,0|2,0,0]=4 3475 B12R0.47 CCCCOC(=O)CSCCCF 62a_100011934791_100000211628 [1,1,0,0,0,0|2,0,0]=4 3476 B12R0.47 CCCCOC(=O)CSCCCO 62a_100000211628_100011215043 [1,1,0,0,0,0|2,0,0]=4 3477 B12R0.47 CCCCOC(=O)CSCCCO 62a_100011215043_100000211628 [1,1,0,0,0,0|2,0,0]=4 3478 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000211628_100000233755 [1,1,0,0,0,0|2,0,0]=4 3479 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000233755_100000211628 [1,1,0,0,0,0|2,0,0]=4 3480 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000211628_100000751147 [1,1,0,0,0,0|2,0,0]=4 3481 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000212216_100000211628 [1,1,0,0,0,0|2,0,0]=4 3482 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000211628_100000739092 [1,1,0,0,0,0|0,0,1]=3 3483 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000739092_100000211628 [1,1,0,0,0,0|0,0,1]=3 3484 B12R0.47 CCCCOCC(=O)C=COCC 1458a_100016266692_100011995733 [1,1,0,0,0,0|0,0,1]=3 3485 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000749530_100011995733 [1,1,0,0,0,0|0,0,1]=3 3486 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000757543_100011215890 [1,1,0,0,0,0|0,0,1]=3 3487 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000230768_100011995733 [1,1,0,0,0,0|0,1,1]=4 3488 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000757543_100000757381 [1,1,0,0,0,0|0,1,1]=4 3489 B12R0.47 CCCCOCC(=O)COCCC 1458a_100000745993_100011995733 [1,1,0,0,0,0|2,0,0]=4 3490 B12R0.47 CCCCOCC(=O)CSCCC 1458a_100000217233_100011995733 [1,1,0,0,0,0|2,0,0]=4 3491 B12R0.47 CCCCOCC(=O)OCCCC 34a_100000210227_100000211628 [1,1,0,0,0,0|1,0,1]=4 3492 B12R0.47 CCCCOCC(=O)OCCCC 7a_100000210227_100000211628 [1,1,0,0,0,0|1,0,1]=4 3493 B12R0.47 CCCCSCC(=O)CCOCC 1458a_100000191162_100011215890 [1,1,0,0,0,0|0,1,1]=4 3494 B12R0.47 CCCOCC(=O)OCCOCC 34a_100000210258_200000101388 [1,1,0,0,0,0|2,0,0]=4 3495 B12R0.47 CCCOCCC(=O)C=COCC 1458a_100016266692_100011215938 [1,1,0,0,0,0|1,0,1]=4 3496 B12R0.47 CCCOCCC(=O)CCOCC 1458a_100000749530_100011215938 [1,1,0,0,0,0|1,0,1]=4 3497 B12R0.47 CCCSCC(=O)OCCOCC 62a_100000210303_200000101388 [1,1,0,0,0,0|2,0,0]=4 3498 B12R0.47 CCCSCC(=O)OCCOCC 62a_200000101388_100000210303 [1,1,0,0,0,0|2,0,0]=4 3499 B12R0.47 CCOC=CC(=O)CCCCCF 1458a_100016266692_100000729378 [1,1,0,0,0,0|1,0,1]=4 3500 B12R0.47 CCOC=CC(=O)CCCCCO 1458a_100016266692_100000746330 [1,1,0,0,0,0|1,0,1]=4 3501 B12R0.47 CCOC=CC(=O)CCCCOC 1458a_100016266692_100000755781 [1,1,0,0,0,0|1,0,1]=4 3502 B12R0.47 CCOC=CC(=O)CCCOCC 1458a_100016266692_100012232248 [1,1,0,0,0,0|1,0,1]=4 3503 B12R0.47 CCOC=CC(=O)NCCCCO 240690a_100000750430_100016266692 [1,1,0,0,0,0|1,0,1]=4 3504 B12R0.47 CCOC=CC(=O)NCCCOC 1626a_100150723488_100016266692 [1,1,0,0,0,0|1,0,1]=4 3505 B12R0.47 CCOC=CC(=O)NCCCOC 240690a_100150723488_100016266692 [1,1,0,0,0,0|1,0,1]=4 3506 B12R0.47 CCOC=CC(=O)NCCCSC 11a_100000749238_100016266692 [1,1,0,0,0,0|1,0,1]=4 3507 B12R0.47 CCOC=CC(=O)NCCCSC 1626a_100000749238_100016266692 [1,1,0,0,0,0|1,0,1]=4 3508 B12R0.47 CCOC=CC(=O)NCCCSC 240690a_100000749238_100016266692 [1,1,0,0,0,0|1,0,1]=4 3509 B12R0.47 CCOC=CC(=O)NCCOCC 11a_100011200944_100016266692 [1,1,0,0,0,0|1,0,1]=4 3510 B12R0.47 CCOC=CC(=O)NCCOCC 1626a_102516460346_100016266692 [1,1,0,0,0,0|1,0,1]=4 3511 B12R0.47 CCOC=CC(=O)NCCOCC 240690a_100011200944_100016266692 [1,1,0,0,0,0|1,0,1]=4 3512 B12R0.47 CCOC=CC(=O)NCCSCC 11a_100000106463_100016266692 [1,1,0,0,0,0|1,0,1]=4 3513 B12R0.47 CCOC=CC(=O)NCCSCC 1626a_100000106463_100016266692 [1,1,0,0,0,0|1,0,1]=4 3514 B12R0.47 CCOC=CC(=O)NCCSCC 240690a_100000106463_100016266692 [1,1,0,0,0,0|1,0,1]=4 3515 B12R0.47 CCOCCC(=O)CCCCCF 1458a_100000749530_100000729378 [1,1,0,0,0,0|1,0,1]=4 3516 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100000749530_100000746330 [1,1,0,0,0,0|1,0,1]=4 3517 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100102619762_100011215890 [1,1,0,0,0,0|1,0,1]=4 3518 B12R0.47 CCOCCC(=O)CCCCOC 1458a_100000749530_100000755781 [1,1,0,0,0,0|1,0,1]=4 3519 B12R0.47 CCOCCC(=O)COCCOC 1458a_100000211095_100011215890 [1,1,0,0,0,0|1,0,1]=4 3520 B12R0.47 CCOCCC(=O)NCCCCO 240690a_100000750430_100000749530 [1,1,0,0,0,0|1,0,1]=4 3521 B12R0.47 CCOCCC(=O)NCCCCO 527a_100000750430_100000749530 [1,1,0,0,0,0|1,0,1]=4 3522 B12R0.47 CCOCCC(=O)NCCCOC 1626a_100150723488_100000749530 [1,1,0,0,0,0|1,0,1]=4 3523 B12R0.47 CCOCCC(=O)NCCCOC 240690a_100150723488_100000749530 [1,1,0,0,0,0|1,0,1]=4 3524 B12R0.47 CCOCCC(=O)NCCCOC 527a_100150723488_100000749530 [1,1,0,0,0,0|1,0,1]=4 3525 B12R0.47 CCOCCC(=O)NCCCSC 11a_100000749238_100000749530 [1,1,0,0,0,0|1,0,1]=4 3526 B12R0.47 CCOCCC(=O)NCCCSC 1626a_100000749238_100000749530 [1,1,0,0,0,0|1,0,1]=4 3527 B12R0.47 CCOCCC(=O)NCCCSC 240690a_100000749238_100000749530 [1,1,0,0,0,0|1,0,1]=4 3528 B12R0.47 CCOCCC(=O)NCCCSC 527a_100000749238_100000749530 [1,1,0,0,0,0|1,0,1]=4 3529 B12R0.47 CCOCCC(=O)NCCSCC 11a_100000106463_100000749530 [1,1,0,0,0,0|1,0,1]=4 3530 B12R0.47 CCOCCC(=O)NCCSCC 1626a_100000106463_100000749530 [1,1,0,0,0,0|1,0,1]=4 3531 B12R0.47 CCOCCC(=O)NCCSCC 240690a_100000106463_100000749530 [1,1,0,0,0,0|1,0,1]=4 3532 B12R0.47 CCOCCC(=O)NCCSCC 527a_100000106463_100000749530 [1,1,0,0,0,0|1,0,1]=4 3533 B12R0.47 CCOCCCC(=O)CCOCC 1458a_100000749530_100012232248 [1,1,0,0,0,0|1,0,1]=4 3534 B12R0.47 CCOCCNC(=O)CCOCC 11a_100011200944_100000749530 [1,1,0,0,0,0|1,0,1]=4 3535 B12R0.47 CCOCCNC(=O)CCOCC 1626a_102516460346_100000749530 [1,1,0,0,0,0|1,0,1]=4 3536 B12R0.47 CCOCCNC(=O)CCOCC 240690a_100011200944_100000749530 [1,1,0,0,0,0|1,0,1]=4 3537 B12R0.47 CCOCCNC(=O)CCOCC 527a_100011200944_100000749530 [1,1,0,0,0,0|1,0,1]=4 3538 B12R0.47 CCOCSCC(=O)OCCOC 62a_100000739092_200000040189 [1,1,0,0,0,0|1,0,1]=4 3539 B12R0.47 CCOCSCC(=O)OCCOC 62a_200000040189_100000739092 [1,1,0,0,0,0|1,0,1]=4 3540 B12R0.142 CC/C=C/CC(=O)NCC(C)CC 11a_100020588543_100016274230 [1,1,0,0,0,0|2,0,0]=4 3541 B12R0.142 CC/C=C/CC(=O)NCC(C)CC 1626a_100020588543_100016274230 [1,1,0,0,0,0|2,0,0]=4 3542 B12R0.142 CC/C=C/CC(=O)NCC(C)CC 240690a_100020588543_100016274230 [1,1,0,0,0,0|2,0,0]=4 3543 B12R0.142 CC/C=C/CC(=O)NCC(C)CC 527a_100020588543_100016274230 [1,1,0,0,0,0|2,0,0]=4 3544 B12R0.142 CC/C=C/CC(=O)NCC(O)CC 11a_100011218483_100016274230 [1,1,0,0,0,0|2,0,0]=4 3545 B12R0.142 CC/C=C/CC(=O)NCC(O)CC 240690a_100011218483_100016274230 [1,1,0,0,0,0|2,0,0]=4 3546 B12R0.142 CC/C=C/CC(=O)NCC(O)CC 527a_100011218483_100016274230 [1,1,0,0,0,0|2,0,0]=4 3547 B12R0.142 CC/C=C\CC(=O)CCC(C)CC 1458a_100000701222_100103147603 [1,1,0,0,0,0|2,0,0]=4 3548 B12R0.142 CCCCOC(=O)CNC(C)CC 2230a_100000209981_100000211628 [1,1,0,0,0,0|2,0,0]=4 3549 B12R0.142 CCCCOC(=O)COC(C)CC 7a_100000210228_100000211628 [1,1,0,0,0,0|2,0,0]=4 3550 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000211628_100000758301 [1,1,0,0,0,0|2,0,0]=4 3551 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000758301_100000211628 [1,1,0,0,0,0|2,0,0]=4 3552 B12R0.142 CCOC=CC(=O)NCC(C)CC 11a_100020588543_100016266692 [1,1,0,0,0,0|1,0,1]=4 3553 B12R0.142 CCOC=CC(=O)NCC(C)CC 1626a_100020588543_100016266692 [1,1,0,0,0,0|1,0,1]=4 3554 B12R0.142 CCOC=CC(=O)NCC(C)CC 240690a_100020588543_100016266692 [1,1,0,0,0,0|1,0,1]=4 3555 B12R0.142 CCOC=CC(=O)NCC(O)CC 11a_100011218483_100016266692 [1,1,0,0,0,0|1,0,1]=4 3556 B12R0.142 CCOC=CC(=O)NCC(O)CC 240690a_100011218483_100016266692 [1,1,0,0,0,0|1,0,1]=4 3557 B12R0.142 CCOCCC(=O)CCC(C)CC 1458a_100000701222_100011215890 [1,1,0,0,0,0|1,0,1]=4 3558 B12R0.142 CCOCCC(=O)NCC(C)CC 11a_100020588543_100000749530 [1,1,0,0,0,0|1,0,1]=4 3559 B12R0.142 CCOCCC(=O)NCC(C)CC 1626a_100020588543_100000749530 [1,1,0,0,0,0|1,0,1]=4 3560 B12R0.142 CCOCCC(=O)NCC(C)CC 240690a_100020588543_100000749530 [1,1,0,0,0,0|1,0,1]=4 3561 B12R0.142 CCOCCC(=O)NCC(C)CC 527a_100020588543_100000749530 [1,1,0,0,0,0|1,0,1]=4 3562 B12R0.142 CCOCCC(=O)NCC(O)CC 11a_100011218483_100000749530 [1,1,0,0,0,0|1,0,1]=4 3563 B12R0.142 CCOCCC(=O)NCC(O)CC 240690a_100011218483_100000749530 [1,1,0,0,0,0|1,0,1]=4 3564 B12R0.142 CCOCCC(=O)NCC(O)CC 527a_100011218483_100000749530 [1,1,0,0,0,0|1,0,1]=4 3565 B12R0.233 CC/C=C/CC(=O)CCCC(C)C 1458a_100016274230_100011214892 [1,1,0,0,0,0|2,0,0]=4 3566 B12R0.233 CC/C=C/CC(=O)CCCC(C)O 1458a_100016274230_200000718107 [1,1,0,0,0,0|2,0,0]=4 3567 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 11a_100000210545_100016274230 [1,1,0,0,0,0|2,0,0]=4 3568 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 1626a_100000210545_100016274230 [1,1,0,0,0,0|2,0,0]=4 3569 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 240690a_100000210545_100016274230 [1,1,0,0,0,0|2,0,0]=4 3570 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 527a_100000210545_100016274230 [1,1,0,0,0,0|2,0,0]=4 3571 B12R0.233 CC/C=C/CC(=O)NCCC(C)O 240690a_200000755665_100016274230 [1,1,0,0,0,0|2,0,0]=4 3572 B12R0.233 CC/C=C/CC(=O)NCCC(C)O 527a_200000755665_100016274230 [1,1,0,0,0,0|2,0,0]=4 3573 B12R0.233 CC/C=C\CC(=O)CCCC(C)C 1458a_100011216857_100103147603 [1,1,0,0,0,0|2,0,0]=4 3574 B12R0.233 CCCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210326 [1,1,0,0,0,0|2,0,0]=4 3575 B12R0.233 CCCCCC(=O)CCOC(C)C 1458a_100000212188_100000211751 [1,1,0,0,0,0|1,0,1]=4 3576 B12R0.233 CCCCNC(=O)C/C=C/C(C)C 11a_100000102301_100016292215 [1,1,0,0,0,0|2,0,0]=4 3577 B12R0.233 CCCCNC(=O)C/C=C/C(C)C 1626a_100000102301_100016292215 [1,1,0,0,0,0|2,0,0]=4 3578 B12R0.233 CCCCNC(=O)C/C=C/C(C)C 240690a_100000102301_100016292215 [1,1,0,0,0,0|2,0,0]=4 3579 B12R0.233 CCCCOC(=O)CNCC(C)C 2230a_100000210953_100000211628 [1,1,0,0,0,0|2,0,0]=4 3580 B12R0.233 CCCCOC(=O)CNCC(C)C 34a_100000210953_100000211628 [1,1,0,0,0,0|2,0,0]=4 3581 B12R0.233 CCCCOC(=O)CNCC(C)O 2230a_100000210904_100000211628 [1,1,0,0,0,0|2,0,0]=4 3582 B12R0.233 CCCCOC(=O)CNCC(C)O 34a_100000210904_100000211628 [1,1,0,0,0,0|2,0,0]=4 3583 B12R0.233 CCCCOC(=O)COCC(C)Br 34a_100012180447_100000211628 [1,1,0,0,0,0|2,0,0]=4 3584 B12R0.233 CCCCOC(=O)COCC(C)C 34a_100000210257_100000211628 [1,1,0,0,0,0|2,0,0]=4 3585 B12R0.233 CCCCOC(=O)COCC(C)F 34a_100015925927_100000211628 [1,1,0,0,0,0|2,0,0]=4 3586 B12R0.233 CCCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000211628 [1,1,0,0,0,0|2,0,0]=4 3587 B12R0.233 CCCCOC(=O)COC[C@@H](C)N 34a_100000737577_100000211628 [1,1,0,0,0,0|2,0,0]=4 3588 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000210624_100000211628 [1,1,0,0,0,0|2,0,0]=4 3589 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000211628_100000210760 [1,1,0,0,0,0|2,0,0]=4 3590 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100000211628_100011218427 [1,1,0,0,0,0|2,0,0]=4 3591 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100011218427_100000211628 [1,1,0,0,0,0|2,0,0]=4 3592 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100000211628_100009817552 [1,1,0,0,0,0|2,0,0]=4 3593 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000211628 [1,1,0,0,0,0|2,0,0]=4 3594 B12R0.233 CCOC=CC(=O)CCCC(C)C 1458a_100016266692_100011214892 [1,1,0,0,0,0|1,0,1]=4 3595 B12R0.233 CCOC=CC(=O)CCCC(C)O 1458a_100016266692_200000718107 [1,1,0,0,0,0|1,0,1]=4 3596 B12R0.233 CCOC=CC(=O)NCCC(C)C 11a_100000210545_100016266692 [1,1,0,0,0,0|1,0,1]=4 3597 B12R0.233 CCOC=CC(=O)NCCC(C)C 1626a_100000210545_100016266692 [1,1,0,0,0,0|1,0,1]=4 3598 B12R0.233 CCOC=CC(=O)NCCC(C)C 240690a_100000210545_100016266692 [1,1,0,0,0,0|1,0,1]=4 3599 B12R0.233 CCOC=CC(=O)NCCC(C)O 240690a_200000755665_100016266692 [1,1,0,0,0,0|1,0,1]=4 3600 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100000749530_100011214892 [1,1,0,0,0,0|1,0,1]=4 3601 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215890 [1,1,0,0,0,0|1,0,1]=4 3602 B12R0.233 CCOCCC(=O)CCCC(C)O 1458a_100000749530_200000718107 [1,1,0,0,0,0|1,0,1]=4 3603 B12R0.233 CCOCCC(=O)NCCC(C)C 11a_100000210545_100000749530 [1,1,0,0,0,0|1,0,1]=4 3604 B12R0.233 CCOCCC(=O)NCCC(C)C 1626a_100000210545_100000749530 [1,1,0,0,0,0|1,0,1]=4 3605 B12R0.233 CCOCCC(=O)NCCC(C)C 240690a_100000210545_100000749530 [1,1,0,0,0,0|1,0,1]=4 3606 B12R0.233 CCOCCC(=O)NCCC(C)C 527a_100000210545_100000749530 [1,1,0,0,0,0|1,0,1]=4 3607 B12R0.233 CCOCCC(=O)NCCC(C)O 240690a_200000755665_100000749530 [1,1,0,0,0,0|1,0,1]=4 3608 B12R0.233 CCOCCC(=O)NCCC(C)O 527a_200000755665_100000749530 [1,1,0,0,0,0|1,0,1]=4 3609 B12R0.648 CC/C=C/CC(=O)C(C)CCCC 1458a_100016274230_200011215066 [1,1,0,0,0,0|2,0,0]=4 3610 B12R0.648 CC/C=C/CC(=O)N(C)CCCC 11a_100000207549_100016274230 [1,1,0,0,0,0|2,0,0]=4 3611 B12R0.648 CC/C=C/CC(=O)N(C)CCCC 1626a_100000207549_100016274230 [1,1,0,0,0,0|2,0,0]=4 3612 B12R0.648 CC/C=C/CC(=O)N(C)CCCC 240690a_100000207549_100016274230 [1,1,0,0,0,0|2,0,0]=4 3613 B12R0.648 CC/C=C/CC(=O)N(C)CCCC 527a_100000207549_100016274230 [1,1,0,0,0,0|2,0,0]=4 3614 B12R0.648 CC/C=C\CC(=O)C(C)CCCC 1458a_100000725509_100103147603 [1,1,0,0,0,0|2,0,0]=4 3615 B12R0.648 CC/C=C\CC(=O)C(O)CCCC 1458a_100000720857_100103147603 [1,1,0,0,0,0|2,0,0]=4 3616 B12R0.648 CCCCC(C)C(=O)C=COCC 1458a_100016266692_200011215066 [1,1,0,0,0,0|1,0,1]=4 3617 B12R0.648 CCCCC(C)C(=O)CCOCC 1458a_100000725509_100011215890 [1,1,0,0,0,0|1,0,1]=4 3618 B12R0.648 CCCCC(C)C(=O)CCOCC 1458a_100000749530_200011215066 [1,1,0,0,0,0|1,0,1]=4 3619 B12R0.648 CCCCC(O)C(=O)CCOCC 1458a_100000720857_100011215890 [1,1,0,0,0,0|1,0,1]=4 3620 B12R0.648 CCCCN(C)C(=O)C=COCC 11a_100000207549_100016266692 [1,1,0,0,0,0|1,0,1]=4 3621 B12R0.648 CCCCN(C)C(=O)C=COCC 1626a_100000207549_100016266692 [1,1,0,0,0,0|1,0,1]=4 3622 B12R0.648 CCCCN(C)C(=O)C=COCC 240690a_100000207549_100016266692 [1,1,0,0,0,0|1,0,1]=4 3623 B12R0.648 CCCCN(C)C(=O)CCOCC 11a_100000207549_100000749530 [1,1,0,0,0,0|1,0,1]=4 3624 B12R0.648 CCCCN(C)C(=O)CCOCC 1626a_100000207549_100000749530 [1,1,0,0,0,0|1,0,1]=4 3625 B12R0.648 CCCCN(C)C(=O)CCOCC 240690a_100000207549_100000749530 [1,1,0,0,0,0|1,0,1]=4 3626 B12R0.648 CCCCN(C)C(=O)CCOCC 527a_100000207549_100000749530 [1,1,0,0,0,0|1,0,1]=4 3627 B12R0.648 CCCCOC(=O)C(C)OCCC 34a_100000038973_100000210303 [1,1,0,0,0,0|2,0,0]=4 3628 B12R0.648 CCCCOC(=O)C(C)OCCC 34a_100000210258_100000759602 [1,1,0,0,0,0|2,0,0]=4 3629 B12R0.648 CCCCOC(=O)C(C)OCCC 7a_100000038973_100000210303 [1,1,0,0,0,0|2,0,0]=4 3630 B12R0.648 CCCCOC(=O)C(C)SCCC 62a_100000210303_100000759602 [1,1,0,0,0,0|2,0,0]=4 3631 B12R0.648 CCCCOC(=O)C(C)SCCC 62a_100000759602_100000210303 [1,1,0,0,0,0|2,0,0]=4 3632 B12R0.110 C#CC(=O)C(C)C(=O)OCCCC 1458a_100000211873_100000759602 [1,1,0,0,0,0|0,0,2]=4 3633 B12R0.110 C=CC(=O)C(C)C(=O)OCCCC 1458a_100000185746_100000759602 [1,1,0,0,0,0|0,0,2]=4 3634 B12R0.110 CCC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100000742827 [1,1,0,0,0,0|2,0,0]=4 3635 B12R0.110 CCC(=O)C(C)C(=O)CCCOC 1458a_100000741012_100000742827 [1,1,0,0,0,0|2,0,0]=4 3636 B12R0.110 CCC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100000742827 [1,1,0,0,0,0|2,0,0]=4 3637 B12R0.110 CCC(=O)C(C)C(=O)NCCOC 1458a_100000210414_100000230274 [1,1,0,0,0,0|2,0,0]=4 3638 B12R0.110 CCCC#CC(=O)C(C)C(=O)CC 1458a_200011218047_100000742827 [1,1,0,0,0,0|1,0,1]=4 3639 B12R0.110 CCCC#CC(=O)C(C)C(=O)OC 1458a_200011218047_100000211248 [1,1,0,0,0,0|1,0,1]=4 3640 B12R0.110 CCCC=CC(=O)C(C)C(=O)CC 1458a_100000212230_100000742827 [1,1,0,0,0,0|1,0,1]=4 3641 B12R0.110 CCCC=CC(=O)C(C)C(=O)OC 1458a_100000212230_100000211248 [1,1,0,0,0,0|1,0,1]=4 3642 B12R0.110 CCCCCC(=O)C(C)C(=O)CC 1458a_100000212188_100000742827 [1,1,0,0,0,0|1,0,0]=3 3643 B12R0.110 CCCCCC(=O)C(C)C(=O)NC 1458a_100000212188_100000209862 [1,1,0,0,0,0|2,0,0]=4 3644 B12R0.110 CCCCCC(=O)C(C)C(=O)OC 1458a_100000212188_100000211248 [1,1,0,0,0,0|1,0,0]=3 3645 B12R0.110 CCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210326 [1,1,0,0,0,0|1,0,0]=3 3646 B12R0.110 CCCCCC(=O)C(F)C(=O)NC 1458a_100000212188_100009813575 [1,1,0,0,0,0|2,0,0]=4 3647 B12R0.110 CCCCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000735917 [1,1,0,0,0,0|1,0,0]=3 3648 B12R0.110 CCCCNC(=O)C(C)C(=O)CO 1458a_100000210174_100000735917 [1,1,0,0,0,0|2,0,0]=4 3649 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 11a_100000102301_100012027023 [1,1,0,0,0,0|1,0,0]=3 3650 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 1626a_100000102301_100012027023 [1,1,0,0,0,0|1,0,0]=3 3651 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 240690a_100000102301_100012027023 [1,1,0,0,0,0|1,0,0]=3 3652 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 527a_100000102301_100012027023 [1,1,0,0,0,0|1,0,0]=3 3653 B12R0.110 CCCCOC(=O)C(C)C(=O)CC 1458a_100000210414_100000759602 [1,1,0,0,0,0|0,0,0]=2 3654 B12R0.110 CCCCOC(=O)C(C)C(=O)CO 1458a_100000210174_100000759602 [1,1,0,0,0,0|1,0,0]=3 3655 B12R0.110 CCCCOC(=O)C(C)N(C)CC 2230a_100000225621_100000759602 [1,1,0,0,0,0|2,0,0]=4 3656 B12R0.110 CCCCOC(=O)C(C)N(C)CC 269982a_100000225621_100000759602 [1,1,0,0,0,0|2,0,0]=4 3657 B12R0.110 CCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210210 [1,1,0,0,0,0|1,0,1]=4 3658 B12R0.110 CCCNNC(=O)C(C)C(=O)OC 22a_100000740057_100012027023 [1,1,0,0,0,0|2,0,0]=4 3659 B12R0.110 CCCOCC(=O)C(C)C(=O)CC 1458a_100000745993_100000742827 [1,1,0,0,0,0|2,0,0]=4 3660 B12R0.110 CCCOCC(=O)C(C)C(=O)OC 1458a_100000745993_100000211248 [1,1,0,0,0,0|2,0,0]=4 3661 B12R0.110 CCCSCC(=O)C(C)C(=O)CC 1458a_100000217233_100000742827 [1,1,0,0,0,0|2,0,0]=4 3662 B12R0.110 CCCSCC(=O)C(C)C(=O)OC 1458a_100000217233_100000211248 [1,1,0,0,0,0|2,0,0]=4 3663 B12R0.110 CCOCCC(=O)C(C)C(=O)CC 1458a_100000749530_100000742827 [1,1,0,0,0,0|2,0,0]=4 3664 B12R0.110 CCOCCC(=O)C(C)C(=O)OC 1458a_100000749530_100000211248 [1,1,0,0,0,0|2,0,0]=4 3665 B12R0.110 CCOCCC(=O)C(C)C(=O)OC 1458a_100012027023_100011215890 [1,1,0,0,0,0|2,0,0]=4 3666 B12R0.110 CCSCCC(=O)C(C)C(=O)CC 1458a_100000230768_100000742827 [1,1,0,0,0,0|2,0,0]=4 3667 B12R0.110 CCSCCC(=O)C(C)C(=O)OC 1458a_100000230768_100000211248 [1,1,0,0,0,0|2,0,0]=4 3668 B12R0.110 CCSCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000757381 [1,1,0,0,0,0|2,0,0]=4 3669 B12R0.110 COC(=O)C(C)C(=O)CCCCF 1458a_100012027023_100000729493 [1,1,0,0,0,0|2,0,0]=4 3670 B12R0.110 COC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100000211248 [1,1,0,0,0,0|2,0,0]=4 3671 B12R0.110 COC(=O)C(C)C(=O)CCCCO 1458a_100012027023_100000210776 [1,1,0,0,0,0|2,0,0]=4 3672 B12R0.110 COC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100000211248 [1,1,0,0,0,0|2,0,0]=4 3673 B12R0.110 COC(=O)C(C)C(=O)NCCCF 11a_100015189416_100012027023 [1,1,0,0,0,0|2,0,0]=4 3674 B12R0.110 COC(=O)C(C)C(=O)NCCCF 1626a_100015189416_100012027023 [1,1,0,0,0,0|2,0,0]=4 3675 B12R0.110 COC(=O)C(C)C(=O)NCCCF 240690a_100015189416_100012027023 [1,1,0,0,0,0|2,0,0]=4 3676 B12R0.110 COC(=O)C(C)C(=O)NCCCF 527a_100015189416_100012027023 [1,1,0,0,0,0|2,0,0]=4 3677 B12R0.110 COC(=O)C(C)C(=O)NCCCO 240690a_100000182051_100012027023 [1,1,0,0,0,0|2,0,0]=4 3678 B12R0.110 COC(=O)C(C)C(=O)NCCCO 527a_100000182051_100012027023 [1,1,0,0,0,0|2,0,0]=4 3679 B12R0.110 COC(=O)C(C)C(=O)NCCSC 11a_100020590264_100012027023 [1,1,0,0,0,0|2,0,0]=4 3680 B12R0.110 COC(=O)C(C)C(=O)NCCSC 1626a_100020590264_100012027023 [1,1,0,0,0,0|2,0,0]=4 3681 B12R0.110 COC(=O)C(C)C(=O)NCCSC 240690a_100020590264_100012027023 [1,1,0,0,0,0|2,0,0]=4 3682 B12R0.110 COC(=O)C(C)C(=O)NCCSC 527a_100020590264_100012027023 [1,1,0,0,0,0|2,0,0]=4 3683 B12R0.110 COCCCC(=O)C(C)C(=O)OC 1458a_100000741012_100000211248 [1,1,0,0,0,0|2,0,0]=4 3684 B12R0.110 COCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000740836 [1,1,0,0,0,0|2,0,0]=4 3685 B12R0.110 COCCNC(=O)C(C)C(=O)OC 1626a_100000209980_100012027023 [1,1,0,0,0,0|2,0,0]=4 3686 B12R0.110 COCCNC(=O)C(C)C(=O)OC 240690a_100000209980_100012027023 [1,1,0,0,0,0|2,0,0]=4 3687 B12R0.110 COCCNC(=O)C(C)C(=O)OC 527a_100000209980_100012027023 [1,1,0,0,0,0|2,0,0]=4 3688 B12R0.113 C#CC(=O)CC(=O)OCCOCC 1458a_100000211873_200000101388 [1,1,0,0,0,0|0,0,2]=4 3689 B12R0.113 C#CCCCCC(=O)CC(=O)CC 1458a_100000696528_100000747405 [1,1,0,0,0,0|1,0,1]=4 3690 B12R0.113 C#CCCCCC(=O)CC(=O)OC 1458a_100000211351_100010269958 [1,1,0,0,0,0|1,0,1]=4 3691 B12R0.113 C#CCCCCC(=O)CC(=O)OC 1458a_100000696528_100000747449 [1,1,0,0,0,0|1,0,1]=4 3692 B12R0.113 C#CCCCNC(=O)CC(=O)OC 240690a_100000718082_100000211351 [1,1,0,0,0,0|1,0,1]=4 3693 B12R0.113 C=CC(=O)CC(=O)OCCOCC 1458a_100000185746_200000101388 [1,1,0,0,0,0|0,0,2]=4 3694 B12R0.113 C=CCCCCC(=O)CC(=O)CC 1458a_100011215552_100000747405 [1,1,0,0,0,0|1,0,1]=4 3695 B12R0.113 C=CCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215482 [1,1,0,0,0,0|1,0,1]=4 3696 B12R0.113 C=CCCCCC(=O)CC(=O)OC 1458a_100011215552_100000747449 [1,1,0,0,0,0|1,0,1]=4 3697 B12R0.113 C=CCCCNC(=O)CC(=O)OC 240690a_100000700776_100000211351 [1,1,0,0,0,0|1,0,1]=4 3698 B12R0.113 CC/C=C\CCC(=O)CC(=O)OC 1458a_100000211351_100015370543 [1,1,0,0,0,0|1,0,1]=4 3699 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [1,1,0,0,0,0|1,0,0]=3 3700 B12R0.113 CCC(=O)CC(=O)CCOCCO 1458a_100011229844_100000747405 [1,1,0,0,0,0|2,0,0]=4 3701 B12R0.113 CCC(=O)CC(=O)COCCOC 1458a_100000211095_100000747405 [1,1,0,0,0,0|1,0,0]=3 3702 B12R0.113 CCC(=O)CC(=O)NCCCOC 1458a_100000210414_100000183178 [1,1,0,0,0,0|1,0,0]=3 3703 B12R0.113 CCC/C=C/CC(=O)CC(=O)CC 1458a_200016266809_100000747405 [1,1,0,0,0,0|1,0,1]=4 3704 B12R0.113 CCC/C=C/CC(=O)CC(=O)OC 1458a_200016266809_100000747449 [1,1,0,0,0,0|1,0,1]=4 3705 B12R0.113 CCCCC=CC(=O)CC(=O)CC 1458a_100016266645_100000747405 [1,1,0,0,0,0|1,0,0]=3 3706 B12R0.113 CCCCC=CC(=O)CC(=O)NC 1458a_100016266645_100000183359 [1,1,0,0,0,0|2,0,0]=4 3707 B12R0.113 CCCCC=CC(=O)CC(=O)OC 1458a_100016266645_100000747449 [1,1,0,0,0,0|1,0,0]=3 3708 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [1,1,0,0,0,0|1,0,0]=3 3709 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [1,1,0,0,0,0|2,0,0]=4 3710 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [1,1,0,0,0,0|1,0,0]=3 3711 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [1,1,0,0,0,0|1,0,0]=3 3712 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [1,1,0,0,0,0|1,0,0]=3 3713 B12R0.113 CCCCCNC(=O)CC(=O)CO 1458a_100000210174_100000230301 [1,1,0,0,0,0|2,0,0]=4 3714 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [1,1,0,0,0,0|1,0,0]=3 3715 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [1,1,0,0,0,0|1,0,1]=4 3716 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [1,1,0,0,0,0|1,0,1]=4 3717 B12R0.113 CCCCNN=C(C)CC(=O)OC 4a_100025702795_100000210079 [1,1,0,0,0,0|2,0,0]=4 3718 B12R0.113 CCCCNNC(=O)CC(=O)OC 22a_100025702795_100000211351 [1,1,0,0,0,0|1,0,0]=3 3719 B12R0.113 CCCCOCC(=O)C=C(C)CC 1458a_100020758463_100011995733 [1,1,0,0,0,0|1,0,1]=4 3720 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [1,1,0,0,0,0|0,0,0]=2 3721 B12R0.113 CCCCOCC(=O)CC(=O)NC 1458a_100000757543_100000183359 [1,1,0,0,0,0|1,0,0]=3 3722 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000211351_100011995733 [1,1,0,0,0,0|0,0,0]=2 3723 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000757543_100000747449 [1,1,0,0,0,0|0,0,0]=2 3724 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000708755_100011995733 [1,1,0,0,0,0|1,0,1]=4 3725 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000757543_100000748023 [1,1,0,0,0,0|1,0,1]=4 3726 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100000757543_100011218378 [1,1,0,0,0,0|0,0,2]=4 3727 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100011667805_100011995733 [1,1,0,0,0,0|0,0,2]=4 3728 B12R0.113 CCCCOCC(=O)CN(C)CC 1458a_100116209913_100011995733 [1,1,0,0,0,0|2,0,0]=4 3729 B12R0.113 CCCCOCC(=O)C[C@@H](C)CC 1458a_100000757543_100009816398 [1,1,0,0,0,0|1,0,1]=4 3730 B12R0.113 CCCCOCN(C)CC(=O)OC 2230a_100000198492_100011995733 [1,1,0,0,0,0|2,0,0]=4 3731 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [1,1,0,0,0,0|0,0,2]=4 3732 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [1,1,0,0,0,0|0,0,2]=4 3733 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [1,1,0,0,0,0|0,1,0]=3 3734 B12R0.113 CCCCSCC(=O)CC(=O)NC 1458a_100000191162_100000183359 [1,1,0,0,0,0|1,1,0]=4 3735 B12R0.113 CCCCSCC(=O)CC(=O)OC 1458a_100000191162_100000747449 [1,1,0,0,0,0|0,1,0]=3 3736 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210211_100000210525 [1,1,0,0,0,0|0,1,0]=3 3737 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210210 [1,1,0,0,0,0|0,1,0]=3 3738 B12R0.113 CCCCSCC(=O)NC(=O)OC 62a_100000210211_100000010850 [1,1,0,0,0,0|1,1,0]=4 3739 B12R0.113 CCCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215938 [1,1,0,0,0,0|1,0,0]=3 3740 B12R0.113 CCOCCCC(=O)CC(=O)OC 1458a_100000211351_100012232248 [1,1,0,0,0,0|1,0,0]=3 3741 B12R0.113 CCOCCNC(=O)CC(=O)OC 240690a_100011200944_100000211351 [1,1,0,0,0,0|1,0,0]=3 3742 B12R0.113 CCOCCOC(=O)CC(=O)CC 1458a_100000210414_200000101388 [1,1,0,0,0,0|0,0,0]=2 3743 B12R0.113 CCOCCOC(=O)CC(=O)CO 1458a_100000210174_200000101388 [1,1,0,0,0,0|1,0,0]=3 3744 B12R0.113 CCOCCOC(=O)CN(C)CC 2230a_100000225621_200000101388 [1,1,0,0,0,0|2,0,0]=4 3745 B12R0.113 CCOCCOC(=O)CN(C)CC 269982a_100000225621_200000101388 [1,1,0,0,0,0|2,0,0]=4 3746 B12R0.113 CCOCCOC(C)CC(=O)OC 34a_100000210136_100009817358 [1,1,0,0,0,0|1,0,1]=4 3747 B12R0.113 CCOCCOC(C)CC(=O)OC 7a_100000210136_100009817358 [1,1,0,0,0,0|1,0,1]=4 3748 B12R0.113 CCOCSCC(=O)CC(=O)OC 62a_100000210525_100000739092 [1,1,0,0,0,0|1,1,0]=4 3749 B12R0.113 CCOCSCC(=O)CC(=O)OC 62a_100000739092_100000210525 [1,1,0,0,0,0|1,1,0]=4 3750 B12R0.113 CCSCCNC(=O)CC(=O)OC 240690a_100000106463_100000211351 [1,1,0,0,0,0|1,0,0]=3 3751 B12R0.113 CCSCCOC(C)CC(=O)OC 34a_100000212035_100009817358 [1,1,0,0,0,0|1,0,1]=4 3752 B12R0.113 CCSCCOC(C)CC(=O)OC 7a_100000212035_100009817358 [1,1,0,0,0,0|1,0,1]=4 3753 B12R0.113 CNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183359 [1,1,0,0,0,0|2,0,0]=4 3754 B12R0.113 CNC(=O)CC(=O)COCCOC 1458a_100000211095_100000183359 [1,1,0,0,0,0|2,0,0]=4 3755 B12R0.113 CNCCCOC(C)CC(=O)OC 34a_100000213112_100009817358 [1,1,0,0,0,0|1,0,1]=4 3756 B12R0.113 COC(=O)CC(=O)CCCCC#N 1458a_100000211351_100000211819 [1,1,0,0,0,0|1,0,1]=4 3757 B12R0.113 COC(=O)CC(=O)CCCCCF 1458a_100000211351_100000729378 [1,1,0,0,0,0|1,0,0]=3 3758 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100000211351_100000746330 [1,1,0,0,0,0|1,0,0]=3 3759 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747449 [1,1,0,0,0,0|1,0,0]=3 3760 B12R0.113 COC(=O)CC(=O)CCOCCO 1458a_100000211351_100011215305 [1,1,0,0,0,0|2,0,0]=4 3761 B12R0.113 COC(=O)CC(=O)CCOCCO 1458a_100011229844_100000747449 [1,1,0,0,0,0|2,0,0]=4 3762 B12R0.113 COC(=O)CC(=O)CSCCCF 62a_100000210525_100011934791 [1,1,0,0,0,0|1,1,0]=4 3763 B12R0.113 COC(=O)CC(=O)CSCCCF 62a_100011934791_100000210525 [1,1,0,0,0,0|1,1,0]=4 3764 B12R0.113 COC(=O)CC(=O)CSCCCO 62a_100000210525_100011215043 [1,1,0,0,0,0|1,1,0]=4 3765 B12R0.113 COC(=O)CC(=O)CSCCCO 62a_100011215043_100000210525 [1,1,0,0,0,0|1,1,0]=4 3766 B12R0.113 COC(=O)CC(=O)CSCCSC 62a_100000210525_100000751147 [1,1,0,0,0,0|1,1,0]=4 3767 B12R0.113 COC(=O)CC(=O)CSCCSC 62a_100000212216_100000210525 [1,1,0,0,0,0|1,1,0]=4 3768 B12R0.113 COC(=O)CC(=O)NCCCCO 240690a_100000750430_100000211351 [1,1,0,0,0,0|1,0,0]=3 3769 B12R0.113 COC(=O)CC(=O)NCCCSC 240690a_100000749238_100000211351 [1,1,0,0,0,0|1,0,0]=3 3770 B12R0.113 COC(=O)CC(C)OCCCCBr 34a_100011216708_100009817358 [1,1,0,0,0,0|1,0,1]=4 3771 B12R0.113 COC(=O)CC(C)OCCCCCl 34a_100000210776_100009817358 [1,1,0,0,0,0|1,0,1]=4 3772 B12R0.113 COC(=O)CC(C)OCCCCCl 7a_100000210776_100009817358 [1,1,0,0,0,0|1,0,1]=4 3773 B12R0.113 COC(=O)CC(C)OCCCCF 34a_100011995726_100009817358 [1,1,0,0,0,0|1,0,1]=4 3774 B12R0.113 COC(=O)CC(C)OCCCCF 7a_100011995726_100009817358 [1,1,0,0,0,0|1,0,1]=4 3775 B12R0.113 COC(=O)CC(C)OCCCCI 34a_200012148704_100009817358 [1,1,0,0,0,0|1,0,1]=4 3776 B12R0.113 COC(=O)CC(C)OCCCCN 34a_100000750430_100009817358 [1,1,0,0,0,0|1,0,1]=4 3777 B12R0.113 COC(=O)CC(C)OCCCSC 34a_100000690336_100009817358 [1,1,0,0,0,0|1,0,1]=4 3778 B12R0.113 COC(=O)CC(C)OCCCSC 7a_100000690336_100009817358 [1,1,0,0,0,0|1,0,1]=4 3779 B12R0.113 COCCCCC(=O)CC(=O)OC 1458a_100000211351_100000755781 [1,1,0,0,0,0|1,0,0]=3 3780 B12R0.113 COCCCNC(=O)CC(=O)CO 1458a_100000210174_100000183178 [1,1,0,0,0,0|2,0,0]=4 3781 B12R0.113 COCCCNC(=O)CC(=O)OC 240690a_100150723488_100000211351 [1,1,0,0,0,0|1,0,0]=3 3782 B12R0.113 COCCCOC(C)CC(=O)OC 34a_100000740835_100009817358 [1,1,0,0,0,0|1,0,1]=4 3783 B12R0.113 COCCNNC(=O)CC(=O)OC 22a_100000741390_100000211351 [1,1,0,0,0,0|2,0,0]=4 3784 B12R0.113 COCCOCC(=O)CC(=O)OC 1458a_100000211095_100000747449 [1,1,0,0,0,0|1,0,0]=3 3785 B12R0.113 COCCSCC(=O)CC(=O)OC 62a_100000210525_100000233755 [1,1,0,0,0,0|1,1,0]=4 3786 B12R0.113 COCCSCC(=O)CC(=O)OC 62a_100000233755_100000210525 [1,1,0,0,0,0|1,1,0]=4 3787 B12R0.123 C=C(C)C(=O)CC(=O)CCCCC 1458a_100000185857_200012276598 [1,1,0,0,0,0|1,0,1]=4 3788 B12R0.123 C=C(C)C(=O)CC(=O)NCCCC 1458a_100000185857_100000182744 [1,1,0,0,0,0|1,0,1]=4 3789 B12R0.123 C=C(C)C(=O)CC(=O)OCCCC 1458a_100000185857_100000211628 [1,1,0,0,0,0|0,0,1]=3 3790 B12R0.123 C=C(C)C(=O)CC(=O)OCCOC 1458a_100000185857_200000040189 [1,1,0,0,0,0|1,0,1]=4 3791 B12R0.123 CC(C)C(=O)CC(=O)CCCCO 1458a_100000695505_100000753385 [1,1,0,0,0,0|2,0,0]=4 3792 B12R0.123 CCCC#CC(=O)CC(=O)C(C)C 1458a_200011218047_100000753385 [1,1,0,0,0,0|1,0,1]=4 3793 B12R0.123 CCCC=CC(=O)CC(=O)C(C)C 1458a_100000212230_100000753385 [1,1,0,0,0,0|1,0,1]=4 3794 B12R0.123 CCCCCC(=O)CC(=O)C(=O)C 1458a_100000212188_100011261029 [1,1,0,0,0,0|1,0,1]=4 3795 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000210198_200012276598 [1,1,0,0,0,0|1,0,0]=3 3796 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000212188_100000753385 [1,1,0,0,0,0|1,0,0]=3 3797 B12R0.123 CCCCCC(=O)CC(=O)C(C)F 1458a_100000062450_200012276598 [1,1,0,0,0,0|1,0,0]=3 3798 B12R0.123 CCCCCC(=O)CC(=O)C(O)O 1458a_100000233687_200012276598 [1,1,0,0,0,0|2,0,0]=4 3799 B12R0.123 CCCCCC(=O)CC(=O)N(C)C 1458a_100000212188_100000185267 [1,1,0,0,0,0|2,0,0]=4 3800 B12R0.123 CCCCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200012276598 [1,1,0,0,0,0|1,0,0]=3 3801 B12R0.123 CCCCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200012276598 [1,1,0,0,0,0|1,0,0]=3 3802 B12R0.123 CCCCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000182744 [1,1,0,0,0,0|1,0,0]=3 3803 B12R0.123 CCCCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000182744 [1,1,0,0,0,0|1,0,0]=3 3804 B12R0.123 CCCCNC(=O)CC(=O)C(O)O 1458a_100000233687_100000182744 [1,1,0,0,0,0|2,0,0]=4 3805 B12R0.123 CCCCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000182744 [1,1,0,0,0,0|1,0,0]=3 3806 B12R0.123 CCCCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000182744 [1,1,0,0,0,0|1,0,0]=3 3807 B12R0.123 CCCCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000211628 [1,1,0,0,0,0|0,0,0]=2 3808 B12R0.123 CCCCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000211628 [1,1,0,0,0,0|0,0,0]=2 3809 B12R0.123 CCCCOC(=O)CC(=O)C(O)O 1458a_100000233687_100000211628 [1,1,0,0,0,0|1,0,0]=3 3810 B12R0.123 CCCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000211628 [1,1,0,0,0,0|0,0,0]=2 3811 B12R0.123 CCCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000211628 [1,1,0,0,0,0|0,0,0]=2 3812 B12R0.123 CCCCOC(=O)CN(C)C(C)C 269982a_200000211004_100000211628 [1,1,0,0,0,0|2,0,0]=4 3813 B12R0.123 CCCOCC(=O)CC(=O)C(C)C 1458a_100000745993_100000753385 [1,1,0,0,0,0|2,0,0]=4 3814 B12R0.123 CCCSCC(=O)CC(=O)C(C)C 1458a_100000217233_100000753385 [1,1,0,0,0,0|2,0,0]=4 3815 B12R0.123 CCOCCC(=O)CC(=O)C(C)C 1458a_100000749530_100000753385 [1,1,0,0,0,0|2,0,0]=4 3816 B12R0.123 CCSCCC(=O)CC(=O)C(C)C 1458a_100000230768_100000753385 [1,1,0,0,0,0|2,0,0]=4 3817 B12R0.123 COCCCC(=O)CC(=O)C(C)C 1458a_100000741012_100000753385 [1,1,0,0,0,0|2,0,0]=4 3818 B12R0.123 COCCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183275 [1,1,0,0,0,0|2,0,0]=4 3819 B12R0.123 COCCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183275 [1,1,0,0,0,0|2,0,0]=4 3820 B12R0.123 COCCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183275 [1,1,0,0,0,0|2,0,0]=4 3821 B12R0.123 COCCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183275 [1,1,0,0,0,0|2,0,0]=4 3822 B12R0.123 COCCOC(=O)CC(=O)C(C)C 1458a_100000210198_200000040189 [1,1,0,0,0,0|1,0,0]=3 3823 B12R0.123 COCCOC(=O)CC(=O)C(C)F 1458a_100000062450_200000040189 [1,1,0,0,0,0|1,0,0]=3 3824 B12R0.123 COCCOC(=O)CC(=O)C(O)O 1458a_100000233687_200000040189 [1,1,0,0,0,0|2,0,0]=4 3825 B12R0.123 COCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200000040189 [1,1,0,0,0,0|1,0,0]=3 3826 B12R0.123 COCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200000040189 [1,1,0,0,0,0|1,0,0]=3 3827 B12R0.123 CSCCCC(=O)CC(=O)C(C)C 1458a_100000173376_100000753385 [1,1,0,0,0,0|2,0,0]=4 3828 B12R0.126 CCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210211 [1,1,0,0,0,0|1,0,1]=4 3829 B12R0.126 CCCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210211 [1,1,0,0,0,0|1,0,1]=4 3830 B12R0.144 CCCCOC(=O)CN(CC)CC 2230a_100000724800_100000211628 [1,1,0,0,0,0|2,0,0]=4 3831 B12R0.144 CCCCOC(=O)CN(CC)CC 269956a_100000042499_100000211628 [1,1,0,0,0,0|2,0,0]=4 3832 B12R0.144 CCCCOC(=O)CN(CC)CC 269982a_100000724800_100000211628 [1,1,0,0,0,0|2,0,0]=4 3833 B12R0.147 CCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747405 [1,1,0,0,0,0|1,0,0]=3 3834 B12R0.147 CCC(=O)CC(=O)CCN(C)CC 1458a_100000755305_100000747405 [1,1,0,0,0,0|2,0,0]=4 3835 B12R0.147 CCC(=O)CC(=O)CCS(=O)CC 1458a_100011387550_100000747405 [1,1,0,0,0,0|2,0,0]=4 3836 B12R0.147 CCC(=O)CC(=O)NCC(O)CO 1458a_100000210414_200012027429 [1,1,0,0,0,0|2,0,0]=4 3837 B12R0.147 CCC(C)CCC(=O)CC(=O)NC 1458a_100000701222_100000183359 [1,1,0,0,0,0|2,0,0]=4 3838 B12R0.147 CCC(C)CCC(=O)CC(=O)OC 1458a_100000701222_100000747449 [1,1,0,0,0,0|1,0,0]=3 3839 B12R0.147 CCC(C)CNC(=O)CC(=O)OC 240690a_100020588543_100000211351 [1,1,0,0,0,0|1,0,0]=3 3840 B12R0.147 CCC(C)NNC(=O)CC(=O)OC 22a_100000718999_100000211351 [1,1,0,0,0,0|2,0,0]=4 3841 B12R0.147 CCC(C)SCC(=O)CC(=O)OC 62a_100000210525_100000758301 [1,1,0,0,0,0|2,0,0]=4 3842 B12R0.147 CCC(C)SCC(=O)CC(=O)OC 62a_100000758301_100000210525 [1,1,0,0,0,0|2,0,0]=4 3843 B12R0.147 CCC(O)CNC(=O)CC(=O)OC 240690a_100011218483_100000211351 [1,1,0,0,0,0|1,0,0]=3 3844 B12R0.147 CCN(C)CCC(=O)CC(=O)OC 1458a_100000755305_100000747449 [1,1,0,0,0,0|2,0,0]=4 3845 B12R0.147 CCS(=O)CCC(=O)CC(=O)OC 1458a_100011387550_100000747449 [1,1,0,0,0,0|2,0,0]=4 3846 B12R0.147 CC[C@H](C)COC(C)CC(=O)OC 7a_100009816381_100009817358 [1,1,0,0,0,0|1,0,1]=4 3847 B12R0.147 COC(=O)CC(=O)NCC(C)CO 240690a_100000744482_100000211351 [1,1,0,0,0,0|2,0,0]=4 3848 B12R0.147 COC(=O)CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211351 [1,1,0,0,0,0|2,0,0]=4 3849 B12R0.147 COC(=O)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211351 [1,1,0,0,0,0|2,0,0]=4 3850 B12R0.147 COC(=O)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000211351 [1,1,0,0,0,0|2,0,0]=4 3851 B12R0.240 CCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747405 [1,1,0,0,0,0|1,0,0]=3 3852 B12R0.240 CCC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747405 [1,1,0,0,0,0|2,0,0]=4 3853 B12R0.240 CNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183359 [1,1,0,0,0,0|2,0,0]=4 3854 B12R0.240 COC(=O)CC(=O)CCCC(=O)C 1458a_100000211351_100011215641 [1,1,0,0,0,0|1,0,1]=4 3855 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100000211351_100011214892 [1,1,0,0,0,0|1,0,0]=3 3856 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747449 [1,1,0,0,0,0|1,0,0]=3 3857 B12R0.240 COC(=O)CC(=O)CCCC(C)O 1458a_100000211351_200000718107 [1,1,0,0,0,0|1,0,0]=3 3858 B12R0.240 COC(=O)CC(=O)CCCN(C)C 1458a_100000211351_100000695564 [1,1,0,0,0,0|2,0,0]=4 3859 B12R0.240 COC(=O)CC(=O)CCOC(C)C 1458a_100000211351_100000211751 [1,1,0,0,0,0|2,0,0]=4 3860 B12R0.240 COC(=O)CC(=O)CCSC(C)C 1458a_100000211351_100000730970 [1,1,0,0,0,0|2,0,0]=4 3861 B12R0.240 COC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747449 [1,1,0,0,0,0|2,0,0]=4 3862 B12R0.240 COC(=O)CC(=O)CSCC(C)C 62a_100000210525_100000210760 [1,1,0,0,0,0|2,0,0]=4 3863 B12R0.240 COC(=O)CC(=O)CSCC(C)C 62a_100000210624_100000210525 [1,1,0,0,0,0|2,0,0]=4 3864 B12R0.240 COC(=O)CC(=O)CSCC(C)O 62a_100000210525_100011218427 [1,1,0,0,0,0|2,0,0]=4 3865 B12R0.240 COC(=O)CC(=O)CSCC(C)O 62a_100011218427_100000210525 [1,1,0,0,0,0|2,0,0]=4 3866 B12R0.240 COC(=O)CC(=O)CSC[C@@H](C)O 62a_100000210525_100009817552 [1,1,0,0,0,0|2,0,0]=4 3867 B12R0.240 COC(=O)CC(=O)CSC[C@@H](C)O 62a_100009817552_100000210525 [1,1,0,0,0,0|2,0,0]=4 3868 B12R0.240 COC(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000211351 [1,1,0,0,0,0|1,0,0]=3 3869 B12R0.240 COC(=O)CC(=O)NCCC(C)O 240690a_200000755665_100000211351 [1,1,0,0,0,0|1,0,0]=3 3870 B12R0.240 COC(=O)CC(=O)NCCN(C)C 240690a_100000210585_100000211351 [1,1,0,0,0,0|2,0,0]=4 3871 B12R0.240 COC(=O)CC(=O)NNCC(C)C 22a_100000696102_100000211351 [1,1,0,0,0,0|2,0,0]=4 3872 B12R0.240 COC(=O)CC(=O)NNCC(C)O 22a_200000730056_100000211351 [1,1,0,0,0,0|2,0,0]=4 3873 B12R0.240 COC(=O)CC(C)OCCC(C)Br 34a_100009893172_100009817358 [1,1,0,0,0,0|1,0,1]=4 3874 B12R0.240 COC(=O)CC(C)OCCC(C)C 34a_100000210254_100009817358 [1,1,0,0,0,0|1,0,1]=4 3875 B12R0.240 COC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817358 [1,1,0,0,0,0|1,0,1]=4 3876 B12R0.240 COC(=O)CC(C)OCC[C@@H](C)N 34a_100000706166_100009817358 [1,1,0,0,0,0|1,0,1]=4 3877 B12R0.252 CCC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000747405 [1,1,0,0,0,0|2,0,0]=4 3878 B12R0.252 CCC/C=C(\C)/C(=O)CC(=O)CC 1458a_200020648666_100000747405 [1,1,0,0,0,0|1,0,1]=4 3879 B12R0.252 CCC/C=C(\C)/C(=O)CC(=O)OC 1458a_200020648666_100000747449 [1,1,0,0,0,0|1,0,1]=4 3880 B12R0.252 CCCCC(C)C(=O)CC(=O)CC 1458a_100000725509_100000747405 [1,1,0,0,0,0|1,0,0]=3 3881 B12R0.252 CCCCC(C)C(=O)CC(=O)NC 1458a_100000725509_100000183359 [1,1,0,0,0,0|2,0,0]=4 3882 B12R0.252 CCCCC(C)C(=O)CC(=O)OC 1458a_100000211351_200011215066 [1,1,0,0,0,0|1,0,0]=3 3883 B12R0.252 CCCCC(C)C(=O)CC(=O)OC 1458a_100000725509_100000747449 [1,1,0,0,0,0|1,0,0]=3 3884 B12R0.252 CCCCC(O)C(=O)CC(=O)CC 1458a_100000720857_100000747405 [1,1,0,0,0,0|1,0,0]=3 3885 B12R0.252 CCCCC(O)C(=O)CC(=O)NC 1458a_100000720857_100000183359 [1,1,0,0,0,0|2,0,0]=4 3886 B12R0.252 CCCCC(O)C(=O)CC(=O)OC 1458a_100000720857_100000747449 [1,1,0,0,0,0|1,0,0]=3 3887 B12R0.252 CCCCN(C)C(=O)CC(=O)CC 1458a_100000210414_100000230175 [1,1,0,0,0,0|1,0,0]=3 3888 B12R0.252 CCCCN(C)C(=O)CC(=O)CO 1458a_100000210174_100000230175 [1,1,0,0,0,0|2,0,0]=4 3889 B12R0.252 CCCCN(C)C(=O)CC(=O)OC 240690a_100000207549_100000211351 [1,1,0,0,0,0|1,0,0]=3 3890 B12R0.252 CCCNC(=O)C(=O)CC(=O)CC 1458a_200011297150_100000747405 [1,1,0,0,0,0|2,0,0]=4 3891 B12R0.252 CCCNC(=O)C(=O)CC(=O)OC 1458a_200011297150_100000747449 [1,1,0,0,0,0|2,0,0]=4 3892 B12R0.252 CCCSC(C)C(=O)CC(=O)OC 62a_100000210303_100009997173 [1,1,0,0,0,0|2,0,0]=4 3893 B12R0.252 CCCSC(C)C(=O)CC(=O)OC 62a_100009997173_100000210303 [1,1,0,0,0,0|2,0,0]=4 3894 B12R0.252 COC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000747449 [1,1,0,0,0,0|2,0,0]=4 3895 B12R0.252 COC(=O)CC(=O)N(C)CCCO 240690a_100000213112_100000211351 [1,1,0,0,0,0|2,0,0]=4 3896 B12R0.252 COC(=O)CC(=O)N(C)CCSC 240690a_100000686725_100000211351 [1,1,0,0,0,0|2,0,0]=4 3897 B12R0.252 COCCN(C)C(=O)CC(=O)OC 240690a_100000743101_100000211351 [1,1,0,0,0,0|2,0,0]=4 3898 B12R0.318 CCCCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210326 [1,1,0,0,0,0|2,0,0]=4 3899 B12R0.318 CCCCNC(=O)CS(=O)(=O)CC 11a_100000102301_100000744335 [1,1,0,0,0,0|2,0,0]=4 3900 B12R0.318 CCCCNC(=O)CS(=O)(=O)CC 1626a_100000102301_100000744335 [1,1,0,0,0,0|2,0,0]=4 3901 B12R0.318 CCCCNC(=O)CS(=O)(=O)CC 240690a_100000102301_100000744335 [1,1,0,0,0,0|2,0,0]=4 3902 B12R0.318 CCCCNC(=O)CS(=O)(=O)CC 527a_100000102301_100000744335 [1,1,0,0,0,0|2,0,0]=4 3903 B12R0.657 CCCCNS(=O)(=O)CC(=O)OC 270084a_100000102301_100000736875 [1,1,0,0,0,0|2,0,0]=4 3904 B12R0.657 CCCCNS(=O)(=O)CC(=O)OC 274078a_100000102301_100000736875 [1,1,0,0,0,0|2,0,0]=4 3905 B12R0.657 CCCCOC(C)(C)CC(=O)OC 7a_100015205050_100000210211 [1,1,0,0,0,0|1,0,1]=4 3906 B12R0.54 CCNC(=O)C(=O)CCCC(C)C 1458a_200011297158_100011214892 [0,1,0,0,1,0|2,0,0]=4 3907 B12R0.54 CCNC(=O)C(=O)CCCC(C)O 1458a_200011297158_200000718107 [0,1,0,0,1,0|2,0,0]=4 3908 B12R0.54 CCNC(=O)C(=O)NCCC(C)C 1626a_100000210545_200011297158 [0,1,0,0,1,0|2,0,0]=4 3909 B12R0.54 CCNC(=O)C(=O)NCCC(C)C 240690a_100000210545_200011297158 [0,1,0,0,1,0|2,0,0]=4 3910 B12R0.54 CCNC(=O)C(=O)NCCC(C)C 527a_100000210545_200011297158 [0,1,0,0,1,0|2,0,0]=4 3911 B12R0.54 CCNC(=O)C(=O)NCCC(C)O 240690a_200000755665_200011297158 [0,1,0,0,1,0|2,0,0]=4 3912 B12R0.54 CCNC(=O)C(=O)NCCC(C)O 527a_200000755665_200011297158 [0,1,0,0,1,0|2,0,0]=4 3913 B12R0.54 CCOC(=O)C(=O)CSCC(C)C 62a_100000210624_100000211299 [0,1,0,0,1,0|2,0,0]=4 3914 B12R0.54 CCOC(=O)C(=O)CSCC(C)C 62a_100000211299_100000210760 [0,1,0,0,1,0|2,0,0]=4 3915 B12R0.54 CCOC(=O)C(=O)CSCC(C)O 62a_100000211299_100011218427 [0,1,0,0,1,0|2,0,0]=4 3916 B12R0.54 CCOC(=O)C(=O)CSCC(C)O 62a_100011218427_100000211299 [0,1,0,0,1,0|2,0,0]=4 3917 B12R0.54 CCOC(=O)C(=O)CSC[C@@H](C)O 62a_100000211299_100009817552 [0,1,0,0,1,0|2,0,0]=4 3918 B12R0.54 CCOC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100000211299 [0,1,0,0,1,0|2,0,0]=4 3919 B12R0.54 CCOC(=O)C(=O)NCCC(C)C 11a_100000210545_100014798877 [0,1,0,0,1,0|1,0,0]=3 3920 B12R0.54 CCOC(=O)C(=O)NCCC(C)C 1626a_100000210545_100014798877 [0,1,0,0,1,0|1,0,0]=3 3921 B12R0.54 CCOC(=O)C(=O)NCCC(C)C 240690a_100000210545_100014798877 [0,1,0,0,1,0|1,0,0]=3 3922 B12R0.54 CCOC(=O)C(=O)NCCC(C)O 240690a_200000755665_100014798877 [0,1,0,0,1,0|1,0,0]=3 3923 B12R0.54 CCOC(=O)C(=O)NCCN(C)C 240690a_100000210585_100014798877 [0,1,0,0,1,0|2,0,0]=4 3924 B12R0.54 CCOC(=O)C(C)OCCC(C)Br 34a_100009893172_100011216346 [0,1,0,0,1,0|1,0,1]=4 3925 B12R0.54 CCOC(=O)C(C)OCCC(C)C 34a_100000210254_100011216346 [0,1,0,0,1,0|1,0,1]=4 3926 B12R0.54 CCOC(=O)C(C)OCCC(C)C 7a_100000210254_100011216346 [0,1,0,0,1,0|1,0,1]=4 3927 B12R0.54 CCOC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100011216346 [0,1,0,0,1,0|1,0,1]=4 3928 B12R0.54 CCOC(=O)C(F)OCCC(C)Br 34a_100009893172_100000760018 [0,1,0,0,1,0|1,0,1]=4 3929 B12R0.54 CCOC(=O)C(F)OCCC(C)C 34a_100000210254_100000760018 [0,1,0,0,1,0|1,0,1]=4 3930 B12R0.54 CCOC(=O)C(F)OCCC(C)C 7a_100000210254_100000040065 [0,1,0,0,1,0|1,0,1]=4 3931 B12R0.54 CCOC(=O)C(F)OCC[C@@H](C)N 34a_100000706166_100000760018 [0,1,0,0,1,0|1,0,1]=4 3932 B12R0.54 CCOC(=O)[C@H](C)OCCC(C)C 7a_100000751109_100000210626 [0,1,0,0,1,0|1,0,1]=4 3933 B12R0.54 CCOC(=O)[C@H](C)OCCC(C)O 7a_100000751109_100012276601 [0,1,0,0,1,0|1,0,1]=4 3934 B12R0.54 CCOC(C)C(=O)OCCC(C)C 34a_200000034679_100000210202 [0,1,0,0,1,0|1,0,1]=4 3935 B12R0.54 CCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000210202 [0,1,0,0,1,0|1,0,1]=4 3936 B12R0.109 CCCCOC(=O)[C@H](CC)OCC 34a_100020628826_100000210202 [0,1,0,0,1,0|1,0,1]=4 3937 B12R0.109 CCCCOC(=O)[C@H](CC)OCC 7a_100020628826_100000210202 [0,1,0,0,1,0|1,0,1]=4 3938 B12R0.141 CCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210326 [0,1,0,0,1,0|2,0,0]=4 3939 B12R0.141 CCCCNC(=O)C(=O)NC(C)C 1626a_100000102301_100011220036 [0,1,0,0,1,0|2,0,0]=4 3940 B12R0.141 CCCCNC(=O)C(=O)NC(C)C 240690a_100000102301_100011220036 [0,1,0,0,1,0|2,0,0]=4 3941 B12R0.141 CCCCNC(=O)C(=O)NC(C)C 527a_100000102301_100011220036 [0,1,0,0,1,0|2,0,0]=4 3942 B12R0.141 CCCCOC(=O)C(C)OC(C)C 34a_100000038973_100000210206 [0,1,0,0,1,0|1,0,1]=4 3943 B12R0.141 CCCCOC(=O)C(C)OC(C)C 34a_100000212225_100000759602 [0,1,0,0,1,0|1,0,1]=4 3944 B12R0.141 CCCCOC(=O)C(C)OC(C)C 7a_100000038973_100000210206 [0,1,0,0,1,0|1,0,1]=4 3945 B12R0.141 CCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210210 [0,1,0,0,1,0|1,0,1]=4 3946 B12R0.141 CCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210211 [0,1,0,0,1,0|1,0,1]=4 3947 B12R0.193 CCNC(=O)C(=O)NCC(C)CC 1626a_100020588543_200011297158 [0,1,0,0,1,0|2,0,0]=4 3948 B12R0.193 CCNC(=O)C(=O)NCC(C)CC 240690a_100020588543_200011297158 [0,1,0,0,1,0|2,0,0]=4 3949 B12R0.193 CCNC(=O)C(=O)NCC(C)CC 527a_100020588543_200011297158 [0,1,0,0,1,0|2,0,0]=4 3950 B12R0.193 CCNC(=O)C(=O)NCC(O)CC 240690a_100011218483_200011297158 [0,1,0,0,1,0|2,0,0]=4 3951 B12R0.193 CCNC(=O)C(=O)NCC(O)CC 527a_100011218483_200011297158 [0,1,0,0,1,0|2,0,0]=4 3952 B12R0.193 CCOC(=O)C(=O)CSC(C)CC 62a_100000211299_100000758301 [0,1,0,0,1,0|2,0,0]=4 3953 B12R0.193 CCOC(=O)C(=O)CSC(C)CC 62a_100000758301_100000211299 [0,1,0,0,1,0|2,0,0]=4 3954 B12R0.193 CCOC(=O)C(=O)NCC(C)CC 11a_100020588543_100014798877 [0,1,0,0,1,0|1,0,0]=3 3955 B12R0.193 CCOC(=O)C(=O)NCC(C)CC 1626a_100020588543_100014798877 [0,1,0,0,1,0|1,0,0]=3 3956 B12R0.193 CCOC(=O)C(=O)NCC(C)CC 240690a_100020588543_100014798877 [0,1,0,0,1,0|1,0,0]=3 3957 B12R0.193 CCOC(=O)C(=O)NCC(C)CO 240690a_100000744482_100014798877 [0,1,0,0,1,0|2,0,0]=4 3958 B12R0.193 CCOC(=O)C(=O)NCC(O)CC 11a_100011218483_100014798877 [0,1,0,0,1,0|1,0,0]=3 3959 B12R0.193 CCOC(=O)C(=O)NCC(O)CC 240690a_100011218483_100014798877 [0,1,0,0,1,0|1,0,0]=3 3960 B12R0.193 CCOC(=O)C(=O)NC[C@@H](C)OC 11a_100020591295_100014798877 [0,1,0,0,1,0|2,0,0]=4 3961 B12R0.193 CCOC(=O)C(=O)NC[C@@H](C)OC 1626a_100020591295_100014798877 [0,1,0,0,1,0|2,0,0]=4 3962 B12R0.193 CCOC(=O)C(=O)NC[C@@H](C)OC 240690a_100020591295_100014798877 [0,1,0,0,1,0|2,0,0]=4 3963 B12R0.193 CCOC(=O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100014798877 [0,1,0,0,1,0|2,0,0]=4 3964 B12R0.193 CCOC(=O)C(=O)NC[C@H](O)CO 240690a_100020644852_100014798877 [0,1,0,0,1,0|2,0,0]=4 3965 B12R0.193 CCOC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100011216346 [0,1,0,0,1,0|1,0,1]=4 3966 B12R0.193 CCOC(=O)C(F)OC[C@@H](C)CC 7a_100009816381_100000040065 [0,1,0,0,1,0|1,0,1]=4 3967 B12R0.193 CCOC(=O)[C@H](C)OCC(C)CC 7a_100000751109_100000748023 [0,1,0,0,1,0|1,0,1]=4 3968 B12R0.193 CCOC(=O)[C@H](C)OCC(O)CC 7a_100000751109_100011218378 [0,1,0,0,1,0|1,0,1]=4 3969 B12R0.193 CCOC(=O)[C@H](C)OC[C@@H](C)CC 7a_100000751109_100009816398 [0,1,0,0,1,0|1,0,1]=4 3970 B12R0.363 CCCCOC(CC)C(=O)OCC 34a_100000210227_100000212269 [0,1,0,0,1,0|1,0,1]=4 3971 B12R0.363 CCCCOC(CC)C(=O)OCC 34a_100011216719_100000210210 [0,1,0,0,1,0|1,0,1]=4 3972 B12R0.363 CCCCOC(CC)C(=O)OCC 7a_100000210227_100000212269 [0,1,0,0,1,0|1,0,1]=4 3973 B12R0.363 CCCCOC(CC)C(=O)OCC 7a_100011216719_100000210211 [0,1,0,0,1,0|1,0,1]=4 3974 B12R0.363 CCCCOC(SC)C(=O)OCC 34a_100000210227_100009893047 [0,1,0,0,1,0|0,1,1]=4 3975 B12R0.363 CCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210210 [0,1,0,0,1,0|0,1,1]=4 3976 B12R0.363 CCCCSC(C=O)C(=O)OCC 62a_100000210211_100000053139 [0,1,0,0,1,0|0,1,1]=4 3977 B12R0.658 CCCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210210 [0,1,0,0,1,0|1,0,1]=4 3978 B12R0.658 CCCCOC(C)(C)C(=O)OCC 7a_100000210227_100011216345 [0,1,0,0,1,0|1,0,1]=4 3979 B12R0.658 CCCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210211 [0,1,0,0,1,0|1,0,1]=4 3980 B12R0.658 CCCCOC(F)(F)C(=O)OCC 34a_100000210227_100000210910 [0,1,0,0,1,0|1,0,1]=4 3981 B12R0.658 CCCCOC(F)(F)C(=O)OCC 7a_100000210227_100000210910 [0,1,0,0,1,0|1,0,1]=4 3982 B14R0.33 C=C(CCC)CC(=O)NCC(=O)OCC 188690a_100000741813_100000138376 [0,1,0,0,0,1|1,0,1]=4 3983 B14R0.33 CCCC(=CC(=O)NCC(=O)OCC)C 188690a_100000741813_100020676950 [0,1,0,0,0,1|1,0,1]=4 3984 B14R0.33 CCCC(=O)CC(=O)CCC(=O)OCC 1458a_100000183558_100000747444 [0,1,0,0,0,1|1,0,1]=4 3985 B14R0.33 CCCC(=O)CC(=O)CNC(=O)OCC 1458a_100000190774_100000747444 [0,1,0,0,0,1|1,0,1]=4 3986 B14R0.33 CCCC(=O)CC(=O)NCC(=O)OCC 1458a_100000211992_100011215850 [0,1,0,0,0,1|1,0,1]=4 3987 B14R0.33 CCCC(=O)OCC(=O)CC(C)CCC 1458a_100000748435_100000034017 [0,1,0,0,0,1|2,0,0]=4 3988 B14R0.33 CCCC(C)CC(=O)C=CC(=O)OCC 1458a_100000210415_100011216630 [0,1,0,0,0,1|1,0,1]=4 3989 B14R0.33 CCCC(C)CC(=O)CCC(=O)NCC 1458a_100000199579_100011216630 [0,1,0,0,0,1|2,0,0]=4 3990 B14R0.33 CCCC(C)CC(=O)CCC(=O)OCC 1458a_100000183558_100011216630 [0,1,0,0,0,1|1,0,0]=3 3991 B14R0.33 CCCC(C)CC(=O)CNC(=O)OCC 1458a_100000190774_100011216630 [0,1,0,0,0,1|1,0,0]=3 3992 B14R0.33 CCCC(C)CC(=O)NCC(=O)NCC 11a_100016988866_100000748435 [0,1,0,0,0,1|2,0,0]=4 3993 B14R0.33 CCCC(C)CC(=O)NCC(=O)NCC 1626a_100016988866_100000748435 [0,1,0,0,0,1|2,0,0]=4 3994 B14R0.33 CCCC(C)CC(=O)NCC(=O)NCC 240690a_100016988866_100000748435 [0,1,0,0,0,1|2,0,0]=4 3995 B14R0.33 CCCC(C)CC(=O)NCC(=O)NCC 527a_100016988866_100000748435 [0,1,0,0,0,1|2,0,0]=4 3996 B14R0.33 CCCC(C)CC(=O)NCC(=O)OCC 188690a_100000741813_100000748435 [0,1,0,0,0,1|1,0,0]=3 3997 B14R0.33 CCCC(C)NC(=O)C=CC(=O)OCC 1626a_100000741246_100000210415 [0,1,0,0,0,1|1,0,1]=4 3998 B14R0.33 CCCC(C)NC(=O)C=CC(=O)OCC 240690a_100000741246_100000210415 [0,1,0,0,0,1|1,0,1]=4 3999 B14R0.33 CCCC(C)NC(=O)CCC(=O)NCC 11a_100000741246_100000199579 [0,1,0,0,0,1|2,0,0]=4 4000 B14R0.33 CCCC(C)NC(=O)CCC(=O)NCC 1626a_100000741246_100000199579 [0,1,0,0,0,1|2,0,0]=4 4001 B14R0.33 CCCC(C)NC(=O)CCC(=O)NCC 240690a_100000741246_100000199579 [0,1,0,0,0,1|2,0,0]=4 4002 B14R0.33 CCCC(C)NC(=O)CCC(=O)OCC 11a_100000741246_100000183558 [0,1,0,0,0,1|1,0,0]=3 4003 B14R0.33 CCCC(C)NC(=O)CCC(=O)OCC 1626a_100000741246_100000183558 [0,1,0,0,0,1|1,0,0]=3 4004 B14R0.33 CCCC(C)NC(=O)CCC(=O)OCC 240690a_100000741246_100000183558 [0,1,0,0,0,1|1,0,0]=3 4005 B14R0.33 CCCC(C)NC(=O)CNC(=O)OCC 11a_100000741246_100000190774 [0,1,0,0,0,1|1,0,0]=3 4006 B14R0.33 CCCC(C)NC(=O)CNC(=O)OCC 1626a_100000741246_100000190774 [0,1,0,0,0,1|1,0,0]=3 4007 B14R0.33 CCCC(C)NC(=O)CNC(=O)OCC 240690a_100000741246_100000190774 [0,1,0,0,0,1|1,0,0]=3 4008 B14R0.33 CCCC(C)NC(=O)CNC(=O)OCC 527a_100000741246_100000190774 [0,1,0,0,0,1|1,0,0]=3 4009 B14R0.33 CCCC(C)NC(=O)NCC(=O)NCC 2708a_100000741246_100016988866 [0,1,0,0,0,1|2,0,0]=4 4010 B14R0.33 CCCC(C)NC(=O)NCC(=O)NCC 2708a_100016988866_100000741246 [0,1,0,0,0,1|2,0,0]=4 4011 B14R0.33 CCCC(C)NC(=O)NCC(=O)NCC 273464a_100000741246_100016988866 [0,1,0,0,0,1|2,0,0]=4 4012 B14R0.33 CCCC(C)NC(=O)NCC(=O)NCC 512a_100000741246_100016988866 [0,1,0,0,0,1|2,0,0]=4 4013 B14R0.33 CCCC(C)NC(=O)NCC(=O)NCC 512a_100016988866_100000741246 [0,1,0,0,0,1|2,0,0]=4 4014 B14R0.33 CCCC(C)OC(C)CCC(=O)OCC 34a_100000764384_100000748298 [0,1,0,0,0,1|1,0,1]=4 4015 B14R0.33 CCCC(C)OC(C)CCC(=O)OCC 7a_100000764384_100000748298 [0,1,0,0,0,1|1,0,1]=4 4016 B14R0.33 CCCN(C)CC(=O)NCC(=O)OCC 2230a_100000747261_100011215850 [0,1,0,0,0,1|2,0,0]=4 4017 B14R0.33 CCCN(C)CC(=O)NCC(=O)OCC 269982a_100000747261_100011215850 [0,1,0,0,0,1|2,0,0]=4 4018 B14R0.33 CCCS(=O)CC(=O)NCC(=O)OCC 188690a_100000741813_100011387404 [0,1,0,0,0,1|2,0,0]=4 4019 B14R0.33 CCOC(=O)CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000183558 [0,1,0,0,0,1|2,0,0]=4 4020 B14R0.33 CCOC(=O)CCC(=O)N[C@H](C)COC 11a_100000764878_100000183558 [0,1,0,0,0,1|2,0,0]=4 4021 B14R0.33 CCOC(=O)CCC(=O)N[C@H](C)COC 1626a_100000764878_100000183558 [0,1,0,0,0,1|2,0,0]=4 4022 B14R0.33 CCOC(=O)CCC(=O)N[C@H](C)COC 240690a_100000764878_100000183558 [0,1,0,0,0,1|2,0,0]=4 4023 B14R0.33 CCOC(=O)CNC(=O)CC(C)SCC 188690a_100000741813_200011311441 [0,1,0,0,0,1|2,0,0]=4 4024 B14R0.33 CCOC(=O)NCC(=O)N[C@H](C)CCO 240690a_100000706166_100000190774 [0,1,0,0,0,1|2,0,0]=4 4025 B14R0.33 CCOC(=O)NCC(=O)N[C@H](C)CCO 527a_100000706166_100000190774 [0,1,0,0,0,1|2,0,0]=4 4026 B14R0.33 CCOC(=O)NCC(=O)N[C@H](C)COC 11a_100000764878_100000190774 [0,1,0,0,0,1|2,0,0]=4 4027 B14R0.33 CCOC(=O)NCC(=O)N[C@H](C)COC 1626a_100000764878_100000190774 [0,1,0,0,0,1|2,0,0]=4 4028 B14R0.33 CCOC(=O)NCC(=O)N[C@H](C)COC 240690a_100000764878_100000190774 [0,1,0,0,0,1|2,0,0]=4 4029 B14R0.33 CCOC(=O)NCC(=O)N[C@H](C)COC 527a_100000764878_100000190774 [0,1,0,0,0,1|2,0,0]=4 4030 B14R0.199 C#CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100010269958 [0,1,0,0,0,1|1,0,1]=4 4031 B14R0.199 C#CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100010269958 [0,1,0,0,0,1|1,0,1]=4 4032 B14R0.199 C#CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000696528 [0,1,0,0,0,1|1,0,1]=4 4033 B14R0.199 C#CCCCNC(=O)CCC(=O)OCC 11a_100000718082_100000183558 [0,1,0,0,0,1|1,0,1]=4 4034 B14R0.199 C#CCCCNC(=O)CCC(=O)OCC 1626a_100000718082_100000183558 [0,1,0,0,0,1|1,0,1]=4 4035 B14R0.199 C#CCCCNC(=O)CCC(=O)OCC 240690a_100000718082_100000183558 [0,1,0,0,0,1|1,0,1]=4 4036 B14R0.199 C#CCCCNC(=O)CNC(=O)OCC 11a_100000718082_100000190774 [0,1,0,0,0,1|1,0,1]=4 4037 B14R0.199 C#CCCCNC(=O)CNC(=O)OCC 1626a_100000718082_100000190774 [0,1,0,0,0,1|1,0,1]=4 4038 B14R0.199 C#CCCCNC(=O)CNC(=O)OCC 240690a_100000718082_100000190774 [0,1,0,0,0,1|1,0,1]=4 4039 B14R0.199 C#CCCCNC(=O)CNC(=O)OCC 527a_100000718082_100000190774 [0,1,0,0,0,1|1,0,1]=4 4040 B14R0.199 C#CCCOCC(=O)NCC(=O)OCC 34a_100011215631_100011215850 [0,1,0,0,0,1|0,0,2]=4 4041 B14R0.199 C/C=C/COCC(=O)NCC(=O)OCC 34a_100016270725_100011215850 [0,1,0,0,0,1|0,0,2]=4 4042 B14R0.199 C=CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215482 [0,1,0,0,0,1|1,0,1]=4 4043 B14R0.199 C=CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215482 [0,1,0,0,0,1|1,0,1]=4 4044 B14R0.199 C=CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100011215552 [0,1,0,0,0,1|1,0,1]=4 4045 B14R0.199 C=CCCCNC(=O)CCC(=O)OCC 11a_100000700776_100000183558 [0,1,0,0,0,1|1,0,1]=4 4046 B14R0.199 C=CCCCNC(=O)CCC(=O)OCC 1626a_100000700776_100000183558 [0,1,0,0,0,1|1,0,1]=4 4047 B14R0.199 C=CCCCNC(=O)CCC(=O)OCC 240690a_100000700776_100000183558 [0,1,0,0,0,1|1,0,1]=4 4048 B14R0.199 C=CCCCNC(=O)CNC(=O)OCC 11a_100000700776_100000190774 [0,1,0,0,0,1|1,0,1]=4 4049 B14R0.199 C=CCCCNC(=O)CNC(=O)OCC 1626a_100000700776_100000190774 [0,1,0,0,0,1|1,0,1]=4 4050 B14R0.199 C=CCCCNC(=O)CNC(=O)OCC 240690a_100000700776_100000190774 [0,1,0,0,0,1|1,0,1]=4 4051 B14R0.199 C=CCCCNC(=O)CNC(=O)OCC 527a_100000700776_100000190774 [0,1,0,0,0,1|1,0,1]=4 4052 B14R0.199 C=CCCOCC(=O)NCC(=O)OCC 34a_100011205117_100011215850 [0,1,0,0,0,1|0,0,2]=4 4053 B14R0.199 CC#CCOCC(=O)NCC(=O)OCC 34a_100000761923_100011215850 [0,1,0,0,0,1|0,0,2]=4 4054 B14R0.199 CC/C=C\CCC(=O)CCC(=O)OCC 1458a_100000183558_100015370543 [0,1,0,0,0,1|1,0,1]=4 4055 B14R0.199 CC/C=C\CCC(=O)CNC(=O)OCC 1458a_100000190774_100015370543 [0,1,0,0,0,1|1,0,1]=4 4056 B14R0.199 CCC/C=C/CC(=O)NCC(=O)OCC 188690a_100000741813_200016266809 [0,1,0,0,0,1|1,0,1]=4 4057 B14R0.199 CCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000210303 [0,1,0,0,0,1|1,0,0]=3 4058 B14R0.199 CCCC(=O)OCC(=O)CCCCCO 1458a_100102619762_100000034017 [0,1,0,0,0,1|2,0,0]=4 4059 B14R0.199 CCCC(=O)OCC(=O)COCCOC 1458a_100000211095_100000034017 [0,1,0,0,0,1|2,0,0]=4 4060 B14R0.199 CCCCC=CC(=O)COC(=O)CCC 1458a_100016266645_100000034017 [0,1,0,0,0,1|2,0,0]=4 4061 B14R0.199 CCCCC=CC(=O)NCC(=O)NCC 11a_100016988866_100016266645 [0,1,0,0,0,1|2,0,0]=4 4062 B14R0.199 CCCCC=CC(=O)NCC(=O)NCC 1626a_100016988866_100016266645 [0,1,0,0,0,1|2,0,0]=4 4063 B14R0.199 CCCCC=CC(=O)NCC(=O)NCC 240690a_100016988866_100016266645 [0,1,0,0,0,1|2,0,0]=4 4064 B14R0.199 CCCCC=CC(=O)NCC(=O)OCC 188690a_100000741813_100016266645 [0,1,0,0,0,1|1,0,0]=3 4065 B14R0.199 CCCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210757 [0,1,0,0,0,1|1,0,1]=4 4066 B14R0.199 CCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210757 [0,1,0,0,0,1|2,0,0]=4 4067 B14R0.199 CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210757 [0,1,0,0,0,1|1,0,0]=3 4068 B14R0.199 CCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210757 [0,1,0,0,0,1|1,0,0]=3 4069 B14R0.199 CCCCCCC(=O)COC(=O)CCC 1458a_100102632555_100000034017 [0,1,0,0,0,1|2,0,0]=4 4070 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100102632555 [0,1,0,0,0,1|2,0,0]=4 4071 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100102632555 [0,1,0,0,0,1|2,0,0]=4 4072 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100102632555 [0,1,0,0,0,1|2,0,0]=4 4073 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 527a_100016988866_100102632555 [0,1,0,0,0,1|2,0,0]=4 4074 B14R0.199 CCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100102632555 [0,1,0,0,0,1|1,0,0]=3 4075 B14R0.199 CCCCCNC(=O)C=CC(=O)OCC 1626a_100000209983_100000210415 [0,1,0,0,0,1|1,0,1]=4 4076 B14R0.199 CCCCCNC(=O)C=CC(=O)OCC 240690a_100000209983_100000210415 [0,1,0,0,0,1|1,0,1]=4 4077 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 11a_100000209983_100000199579 [0,1,0,0,0,1|2,0,0]=4 4078 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 1626a_100000209983_100000199579 [0,1,0,0,0,1|2,0,0]=4 4079 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 240690a_100000209983_100000199579 [0,1,0,0,0,1|2,0,0]=4 4080 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 11a_100000209983_100000183558 [0,1,0,0,0,1|1,0,0]=3 4081 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 1626a_100000209983_100000183558 [0,1,0,0,0,1|1,0,0]=3 4082 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 240690a_100000209983_100000183558 [0,1,0,0,0,1|1,0,0]=3 4083 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 11a_100000209983_100000190774 [0,1,0,0,0,1|1,0,0]=3 4084 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 1626a_100000209983_100000190774 [0,1,0,0,0,1|1,0,0]=3 4085 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 240690a_100000209983_100000190774 [0,1,0,0,0,1|1,0,0]=3 4086 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 527a_100000209983_100000190774 [0,1,0,0,0,1|1,0,0]=3 4087 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 2708a_100000209983_100016988866 [0,1,0,0,0,1|2,0,0]=4 4088 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 2708a_100016988866_100000209983 [0,1,0,0,0,1|2,0,0]=4 4089 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 273464a_100000209983_100016988866 [0,1,0,0,0,1|2,0,0]=4 4090 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 273464a_100016988866_100000209983 [0,1,0,0,0,1|2,0,0]=4 4091 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 512a_100000209983_100016988866 [0,1,0,0,0,1|2,0,0]=4 4092 B14R0.199 CCCCCNC(=O)NCC(=O)NCC 512a_100016988866_100000209983 [0,1,0,0,0,1|2,0,0]=4 4093 B14R0.199 CCCCCOC(C)CCC(=O)OCC 34a_100000210253_100000748298 [0,1,0,0,0,1|1,0,1]=4 4094 B14R0.199 CCCCCOC(C)CCC(=O)OCC 7a_100000210253_100000748298 [0,1,0,0,0,1|1,0,1]=4 4095 B14R0.199 CCCCNCC(=O)NCC(=O)OCC 2230a_100000102301_100011215850 [0,1,0,0,0,1|1,0,0]=3 4096 B14R0.199 CCCCNCC(=O)NCC(=O)OCC 7a_106832991798_100011215850 [0,1,0,0,0,1|1,0,0]=3 4097 B14R0.199 CCCCNN=C(C)CCC(=O)OCC 4a_100025702795_100011212338 [0,1,0,0,0,1|2,0,0]=4 4098 B14R0.199 CCCCNNC(=O)CCC(=O)NCC 22a_100025702795_100000199579 [0,1,0,0,0,1|2,0,0]=4 4099 B14R0.199 CCCCNNC(=O)CNC(=O)OCC 22a_100025702795_100000190774 [0,1,0,0,0,1|1,0,0]=3 4100 B14R0.199 CCCCNNC(=O)NCC(=O)NCC 273464a_100016988866_100025702795 [0,1,0,0,0,1|2,0,0]=4 4101 B14R0.199 CCCCNNC(=O)NCC(=O)NCC 512a_100016988866_100025702795 [0,1,0,0,0,1|2,0,0]=4 4102 B14R0.199 CCCCNNC(=O)NCC(=O)NCC 512a_100025702795_100016988866 [0,1,0,0,0,1|2,0,0]=4 4103 B14R0.199 CCCCOCC(=O)C=CC(=O)OCC 1458a_100000210415_100011995733 [0,1,0,0,0,1|0,0,1]=3 4104 B14R0.199 CCCCOCC(=O)CCC(=O)NCC 1458a_100000199579_100011995733 [0,1,0,0,0,1|1,0,0]=3 4105 B14R0.199 CCCCOCC(=O)CCC(=O)OCC 1458a_100000183558_100011995733 [0,1,0,0,0,1|0,0,0]=2 4106 B14R0.199 CCCCOCC(=O)CNC(=O)OCC 1458a_100000190774_100011995733 [0,1,0,0,0,1|0,0,0]=2 4107 B14R0.199 CCCCOCC(=O)COC(=O)CCC 1458a_100000757543_100000034017 [0,1,0,0,0,1|1,0,0]=3 4108 B14R0.199 CCCCOCC(=O)NCC(=O)NCC 11a_100016988866_100000757543 [0,1,0,0,0,1|1,0,0]=3 4109 B14R0.199 CCCCOCC(=O)NCC(=O)NCC 1626a_100016988866_100000757543 [0,1,0,0,0,1|1,0,0]=3 4110 B14R0.199 CCCCOCC(=O)NCC(=O)NCC 240690a_100016988866_100000757543 [0,1,0,0,0,1|1,0,0]=3 4111 B14R0.199 CCCCOCC(=O)NCC(=O)NCC 527a_100016988866_100000757543 [0,1,0,0,0,1|1,0,0]=3 4112 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000757543 [0,1,0,0,0,1|0,0,0]=2 4113 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 34a_100000210227_100011215850 [0,1,0,0,0,1|0,0,0]=2 4114 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 7a_100000210227_100011215850 [0,1,0,0,0,1|0,0,0]=2 4115 B14R0.199 CCCCOCC(=O)NNC(=O)CCC 22a_100000189770_100000757543 [0,1,0,0,0,1|2,0,0]=4 4116 B14R0.199 CCCCOCC(C)OCC(=O)OCC 34a_100011217071_100000188475 [0,1,0,0,0,1|1,0,1]=4 4117 B14R0.199 CCCCOCC(C)OCC(=O)OCC 7a_100011217071_100000188475 [0,1,0,0,0,1|1,0,1]=4 4118 B14R0.199 CCCCOCN(C)CCC(=O)OCC 2230a_100000745921_100011995733 [0,1,0,0,0,1|2,0,0]=4 4119 B14R0.199 CCCCOCN(C)CCC(=O)OCC 269982a_100000745921_100011995733 [0,1,0,0,0,1|2,0,0]=4 4120 B14R0.199 CCCCSCC(=O)COC(=O)CCC 1458a_100000191162_100000034017 [0,1,0,0,0,1|1,1,0]=4 4121 B14R0.199 CCCCSCC(=O)NCC(=O)NCC 11a_100016988866_100000191162 [0,1,0,0,0,1|1,1,0]=4 4122 B14R0.199 CCCCSCC(=O)NCC(=O)NCC 1626a_100016988866_100000191162 [0,1,0,0,0,1|1,1,0]=4 4123 B14R0.199 CCCCSCC(=O)NCC(=O)NCC 240690a_100016988866_100000191162 [0,1,0,0,0,1|1,1,0]=4 4124 B14R0.199 CCCCSCC(=O)NCC(=O)NCC 527a_100016988866_100000191162 [0,1,0,0,0,1|1,1,0]=4 4125 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000191162 [0,1,0,0,0,1|0,1,0]=3 4126 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 62a_100000210211_100011215850 [0,1,0,0,0,1|0,1,0]=3 4127 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210210 [0,1,0,0,0,1|0,1,0]=3 4128 B14R0.199 CCCOCCC(=O)C=CC(=O)OCC 1458a_100000210415_100011215938 [0,1,0,0,0,1|1,0,1]=4 4129 B14R0.199 CCCOCCC(=O)CCC(=O)NCC 1458a_100000199579_100011215938 [0,1,0,0,0,1|2,0,0]=4 4130 B14R0.199 CCCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215938 [0,1,0,0,0,1|1,0,0]=3 4131 B14R0.199 CCCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215938 [0,1,0,0,0,1|1,0,0]=3 4132 B14R0.199 CCNC(=O)CCC(=O)CCCCCF 1458a_100000199579_100000729378 [0,1,0,0,0,1|2,0,0]=4 4133 B14R0.199 CCNC(=O)CCC(=O)CCCCCO 1458a_100000199579_100000746330 [0,1,0,0,0,1|2,0,0]=4 4134 B14R0.199 CCNC(=O)CCC(=O)CCCCOC 1458a_100000199579_100000755781 [0,1,0,0,0,1|2,0,0]=4 4135 B14R0.199 CCNC(=O)CCC(=O)CCCOCC 1458a_100000199579_100012232248 [0,1,0,0,0,1|2,0,0]=4 4136 B14R0.199 CCNC(=O)CCC(=O)NCCCCO 240690a_100000750430_100000199579 [0,1,0,0,0,1|2,0,0]=4 4137 B14R0.199 CCNC(=O)CCC(=O)NCCCOC 1626a_100150723488_100000199579 [0,1,0,0,0,1|2,0,0]=4 4138 B14R0.199 CCNC(=O)CCC(=O)NCCCOC 240690a_100150723488_100000199579 [0,1,0,0,0,1|2,0,0]=4 4139 B14R0.199 CCNC(=O)CCC(=O)NCCCSC 11a_100000749238_100000199579 [0,1,0,0,0,1|2,0,0]=4 4140 B14R0.199 CCNC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000199579 [0,1,0,0,0,1|2,0,0]=4 4141 B14R0.199 CCNC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000199579 [0,1,0,0,0,1|2,0,0]=4 4142 B14R0.199 CCNC(=O)CCC(=O)NCCOCC 11a_100011200944_100000199579 [0,1,0,0,0,1|2,0,0]=4 4143 B14R0.199 CCNC(=O)CCC(=O)NCCOCC 1626a_102516460346_100000199579 [0,1,0,0,0,1|2,0,0]=4 4144 B14R0.199 CCNC(=O)CCC(=O)NCCOCC 240690a_100011200944_100000199579 [0,1,0,0,0,1|2,0,0]=4 4145 B14R0.199 CCNC(=O)CCC(=O)NCCSCC 11a_100000106463_100000199579 [0,1,0,0,0,1|2,0,0]=4 4146 B14R0.199 CCNC(=O)CCC(=O)NCCSCC 1626a_100000106463_100000199579 [0,1,0,0,0,1|2,0,0]=4 4147 B14R0.199 CCNC(=O)CCC(=O)NCCSCC 240690a_100000106463_100000199579 [0,1,0,0,0,1|2,0,0]=4 4148 B14R0.199 CCNC(=O)CCC(=O)OCCCCO 240690a_100015525214_200009914559 [0,1,0,0,0,1|1,0,0]=3 4149 B14R0.199 CCNC(=O)CNC(=O)CCCCCO 240690a_100016988866_100102619762 [0,1,0,0,0,1|2,0,0]=4 4150 B14R0.199 CCNC(=O)CNC(=O)COCCOC 11a_100016988866_100000211095 [0,1,0,0,0,1|2,0,0]=4 4151 B14R0.199 CCNC(=O)CNC(=O)COCCOC 1626a_100016988866_100000211095 [0,1,0,0,0,1|2,0,0]=4 4152 B14R0.199 CCNC(=O)CNC(=O)COCCOC 240690a_100016988866_100000211095 [0,1,0,0,0,1|2,0,0]=4 4153 B14R0.199 CCNC(=O)CNC(=O)COCCOC 527a_100016988866_100000211095 [0,1,0,0,0,1|2,0,0]=4 4154 B14R0.199 CCNC(=O)CNC(=O)NCCCCO 2708a_100000750430_100016988866 [0,1,0,0,0,1|2,0,0]=4 4155 B14R0.199 CCNC(=O)CNC(=O)NCCCCO 2708a_100016988866_100000750430 [0,1,0,0,0,1|2,0,0]=4 4156 B14R0.199 CCNC(=O)CNC(=O)NCCCCO 273464a_100000750430_100016988866 [0,1,0,0,0,1|2,0,0]=4 4157 B14R0.199 CCNC(=O)CNC(=O)NCCCCO 273464a_100016988866_100000750430 [0,1,0,0,0,1|2,0,0]=4 4158 B14R0.199 CCNC(=O)CNC(=O)NCCCCO 512a_100000750430_100016988866 [0,1,0,0,0,1|2,0,0]=4 4159 B14R0.199 CCNC(=O)CNC(=O)NCCCCO 512a_100016988866_100000750430 [0,1,0,0,0,1|2,0,0]=4 4160 B14R0.199 CCNC(=O)CNC(=O)NCCCOC 2708a_100016988866_100150723488 [0,1,0,0,0,1|2,0,0]=4 4161 B14R0.199 CCNC(=O)CNC(=O)NCCCOC 2708a_100150723488_100016988866 [0,1,0,0,0,1|2,0,0]=4 4162 B14R0.199 CCNC(=O)CNC(=O)NCCCOC 273464a_100016988866_100150723488 [0,1,0,0,0,1|2,0,0]=4 4163 B14R0.199 CCNC(=O)CNC(=O)NCCCOC 273464a_100150723488_100016988866 [0,1,0,0,0,1|2,0,0]=4 4164 B14R0.199 CCNC(=O)CNC(=O)NCCCOC 512a_100016988866_100150723488 [0,1,0,0,0,1|2,0,0]=4 4165 B14R0.199 CCNC(=O)CNC(=O)NCCCSC 2708a_100000749238_100016988866 [0,1,0,0,0,1|2,0,0]=4 4166 B14R0.199 CCNC(=O)CNC(=O)NCCCSC 2708a_100016988866_100000749238 [0,1,0,0,0,1|2,0,0]=4 4167 B14R0.199 CCNC(=O)CNC(=O)NCCCSC 273464a_100000749238_100016988866 [0,1,0,0,0,1|2,0,0]=4 4168 B14R0.199 CCNC(=O)CNC(=O)NCCCSC 273464a_100016988866_100000749238 [0,1,0,0,0,1|2,0,0]=4 4169 B14R0.199 CCNC(=O)CNC(=O)NCCCSC 512a_100000749238_100016988866 [0,1,0,0,0,1|2,0,0]=4 4170 B14R0.199 CCNC(=O)CNC(=O)NCCCSC 512a_100016988866_100000749238 [0,1,0,0,0,1|2,0,0]=4 4171 B14R0.199 CCNC(=O)CNC(=O)NCCOCC 2708a_100011200944_100016988866 [0,1,0,0,0,1|2,0,0]=4 4172 B14R0.199 CCNC(=O)CNC(=O)NCCOCC 2708a_100016988866_100011200944 [0,1,0,0,0,1|2,0,0]=4 4173 B14R0.199 CCNC(=O)CNC(=O)NCCOCC 273464a_100016988866_102516460346 [0,1,0,0,0,1|2,0,0]=4 4174 B14R0.199 CCNC(=O)CNC(=O)NCCOCC 273464a_102516460346_100016988866 [0,1,0,0,0,1|2,0,0]=4 4175 B14R0.199 CCNC(=O)CNC(=O)NCCOCC 512a_100011200944_100016988866 [0,1,0,0,0,1|2,0,0]=4 4176 B14R0.199 CCNC(=O)CNC(=O)NCCOCC 512a_100016988866_100011200944 [0,1,0,0,0,1|2,0,0]=4 4177 B14R0.199 CCNC(=O)CNC(=O)NCCSCC 2708a_100000106463_100016988866 [0,1,0,0,0,1|2,0,0]=4 4178 B14R0.199 CCNC(=O)CNC(=O)NCCSCC 2708a_100016988866_100000106463 [0,1,0,0,0,1|2,0,0]=4 4179 B14R0.199 CCNC(=O)CNC(=O)NCCSCC 273464a_100000106463_100016988866 [0,1,0,0,0,1|2,0,0]=4 4180 B14R0.199 CCNC(=O)CNC(=O)NCCSCC 273464a_100016988866_100000106463 [0,1,0,0,0,1|2,0,0]=4 4181 B14R0.199 CCNC(=O)CNC(=O)NCCSCC 512a_100000106463_100016988866 [0,1,0,0,0,1|2,0,0]=4 4182 B14R0.199 CCNC(=O)CNC(=O)NCCSCC 512a_100016988866_100000106463 [0,1,0,0,0,1|2,0,0]=4 4183 B14R0.199 CCOC(=O)C=CC(=O)CCCCCF 1458a_100000210415_100000729378 [0,1,0,0,0,1|1,0,1]=4 4184 B14R0.199 CCOC(=O)C=CC(=O)CCCCCO 1458a_100000210415_100000746330 [0,1,0,0,0,1|1,0,1]=4 4185 B14R0.199 CCOC(=O)C=CC(=O)CCCCOC 1458a_100000210415_100000755781 [0,1,0,0,0,1|1,0,1]=4 4186 B14R0.199 CCOC(=O)C=CC(=O)NCCCCO 240690a_100000750430_100000210415 [0,1,0,0,0,1|1,0,1]=4 4187 B14R0.199 CCOC(=O)C=CC(=O)NCCCOC 1626a_100150723488_100000210415 [0,1,0,0,0,1|1,0,1]=4 4188 B14R0.199 CCOC(=O)C=CC(=O)NCCCOC 240690a_100150723488_100000210415 [0,1,0,0,0,1|1,0,1]=4 4189 B14R0.199 CCOC(=O)C=CC(=O)NCCCSC 1626a_100000749238_100000210415 [0,1,0,0,0,1|1,0,1]=4 4190 B14R0.199 CCOC(=O)C=CC(=O)NCCCSC 240690a_100000749238_100000210415 [0,1,0,0,0,1|1,0,1]=4 4191 B14R0.199 CCOC(=O)C=CC(=O)NCCSCC 1626a_100000106463_100000210415 [0,1,0,0,0,1|1,0,1]=4 4192 B14R0.199 CCOC(=O)C=CC(=O)NCCSCC 240690a_100000106463_100000210415 [0,1,0,0,0,1|1,0,1]=4 4193 B14R0.199 CCOC(=O)CCC(=O)CCCCC#N 1458a_100000183558_100000211819 [0,1,0,0,0,1|1,0,1]=4 4194 B14R0.199 CCOC(=O)CCC(=O)CCCCCF 1458a_100000183558_100000729378 [0,1,0,0,0,1|1,0,0]=3 4195 B14R0.199 CCOC(=O)CCC(=O)CCCCCO 1458a_100000183558_100000746330 [0,1,0,0,0,1|1,0,0]=3 4196 B14R0.199 CCOC(=O)CCC(=O)CCCCOC 1458a_100000183558_100000755781 [0,1,0,0,0,1|1,0,0]=3 4197 B14R0.199 CCOC(=O)CCC(=O)CCOCCO 1458a_100000183558_100011215305 [0,1,0,0,0,1|2,0,0]=4 4198 B14R0.199 CCOC(=O)CCC(=O)NCCCCO 240690a_100000750430_100000183558 [0,1,0,0,0,1|1,0,0]=3 4199 B14R0.199 CCOC(=O)CCC(=O)NCCCOC 1626a_100150723488_100000183558 [0,1,0,0,0,1|1,0,0]=3 4200 B14R0.199 CCOC(=O)CCC(=O)NCCCOC 240690a_100150723488_100000183558 [0,1,0,0,0,1|1,0,0]=3 4201 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 11a_100000749238_100000183558 [0,1,0,0,0,1|1,0,0]=3 4202 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000183558 [0,1,0,0,0,1|1,0,0]=3 4203 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000183558 [0,1,0,0,0,1|1,0,0]=3 4204 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 11a_100000106463_100000183558 [0,1,0,0,0,1|1,0,0]=3 4205 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 1626a_100000106463_100000183558 [0,1,0,0,0,1|1,0,0]=3 4206 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 240690a_100000106463_100000183558 [0,1,0,0,0,1|1,0,0]=3 4207 B14R0.199 CCOC(=O)CCC(C)OCCCCBr 34a_100011216708_100000748298 [0,1,0,0,0,1|1,0,1]=4 4208 B14R0.199 CCOC(=O)CCC(C)OCCCCCl 34a_100000210776_100000748298 [0,1,0,0,0,1|1,0,1]=4 4209 B14R0.199 CCOC(=O)CCC(C)OCCCCCl 7a_100000210776_100000748298 [0,1,0,0,0,1|1,0,1]=4 4210 B14R0.199 CCOC(=O)CCC(C)OCCCCF 34a_100011995726_100000748298 [0,1,0,0,0,1|1,0,1]=4 4211 B14R0.199 CCOC(=O)CCC(C)OCCCCF 7a_100011995726_100000748298 [0,1,0,0,0,1|1,0,1]=4 4212 B14R0.199 CCOC(=O)CCC(C)OCCCCI 34a_200012148704_100000748298 [0,1,0,0,0,1|1,0,1]=4 4213 B14R0.199 CCOC(=O)CCC(C)OCCCCN 34a_100000750430_100000748298 [0,1,0,0,0,1|1,0,1]=4 4214 B14R0.199 CCOC(=O)CCC(C)OCCCNC 34a_100000213112_100000748298 [0,1,0,0,0,1|1,0,1]=4 4215 B14R0.199 CCOC(=O)CCC(C)OCCCOC 34a_100000740835_100000748298 [0,1,0,0,0,1|1,0,1]=4 4216 B14R0.199 CCOC(=O)CCC(C)OCCCSC 34a_100000690336_100000748298 [0,1,0,0,0,1|1,0,1]=4 4217 B14R0.199 CCOC(=O)CCC(C)OCCCSC 7a_100000690336_100000748298 [0,1,0,0,0,1|1,0,1]=4 4218 B14R0.199 CCOC(=O)CCC(C)OCCSCC 34a_100000212035_100000748298 [0,1,0,0,0,1|1,0,1]=4 4219 B14R0.199 CCOC(=O)CCC(C)OCCSCC 7a_100000212035_100000748298 [0,1,0,0,0,1|1,0,1]=4 4220 B14R0.199 CCOC(=O)CNC(=O)CCCCCO 188690a_100000741813_100102619762 [0,1,0,0,0,1|1,0,0]=3 4221 B14R0.199 CCOC(=O)CNC(=O)CCOCCO 188690a_100000741813_100011229844 [0,1,0,0,0,1|2,0,0]=4 4222 B14R0.199 CCOC(=O)CNC(=O)CNCCCF 2230a_100015189416_100011215850 [0,1,0,0,0,1|2,0,0]=4 4223 B14R0.199 CCOC(=O)CNC(=O)CNCCCF 34a_100015189416_100011215850 [0,1,0,0,0,1|2,0,0]=4 4224 B14R0.199 CCOC(=O)CNC(=O)CNCCOC 2230a_100000209980_100011215850 [0,1,0,0,0,1|2,0,0]=4 4225 B14R0.199 CCOC(=O)CNC(=O)CNCCSC 2230a_100020590264_100011215850 [0,1,0,0,0,1|2,0,0]=4 4226 B14R0.199 CCOC(=O)CNC(=O)COCCCBr 34a_100011217188_100011215850 [0,1,0,0,0,1|1,0,0]=3 4227 B14R0.199 CCOC(=O)CNC(=O)COCCCCl 34a_100000230001_100011215850 [0,1,0,0,0,1|1,0,0]=3 4228 B14R0.199 CCOC(=O)CNC(=O)COCCCF 34a_100000759539_100011215850 [0,1,0,0,0,1|1,0,0]=3 4229 B14R0.199 CCOC(=O)CNC(=O)COCCCN 34a_100000182051_100011215850 [0,1,0,0,0,1|1,0,0]=3 4230 B14R0.199 CCOC(=O)CNC(=O)COCCOC 188690a_100000741813_100000211095 [0,1,0,0,0,1|1,0,0]=3 4231 B14R0.199 CCOC(=O)CNC(=O)COCCOC 34a_100000210237_100011215850 [0,1,0,0,0,1|1,0,0]=3 4232 B14R0.199 CCOC(=O)CNC(=O)COCCON 34a_100000700252_100011215850 [0,1,0,0,0,1|2,0,0]=4 4233 B14R0.199 CCOC(=O)CNC(=O)COCCSC 34a_100000230434_100011215850 [0,1,0,0,0,1|1,0,0]=3 4234 B14R0.199 CCOC(=O)CNC(=O)COCCSC 7a_100000230434_100011215850 [0,1,0,0,0,1|1,0,0]=3 4235 B14R0.199 CCOC(=O)CNC(=O)CSCCCF 62a_100011215850_100011934791 [0,1,0,0,0,1|1,1,0]=4 4236 B14R0.199 CCOC(=O)CNC(=O)CSCCCF 62a_100011934791_100011215850 [0,1,0,0,0,1|1,1,0]=4 4237 B14R0.199 CCOC(=O)CNC(=O)CSCCCO 62a_100011215043_100011215850 [0,1,0,0,0,1|1,1,0]=4 4238 B14R0.199 CCOC(=O)CNC(=O)CSCCCO 62a_100011215850_100011215043 [0,1,0,0,0,1|1,1,0]=4 4239 B14R0.199 CCOC(=O)CNC(=O)CSCCOC 62a_100000233755_100011215850 [0,1,0,0,0,1|1,1,0]=4 4240 B14R0.199 CCOC(=O)CNC(=O)CSCCOC 62a_100011215850_100000233755 [0,1,0,0,0,1|1,1,0]=4 4241 B14R0.199 CCOC(=O)CNC(=O)CSCCSC 62a_100000212216_100011215850 [0,1,0,0,0,1|1,1,0]=4 4242 B14R0.199 CCOC(=O)CNC(=O)CSCCSC 62a_100011215850_100000751147 [0,1,0,0,0,1|1,1,0]=4 4243 B14R0.199 CCOC(=O)NCC(=O)CCCCC#N 1458a_100000190774_100000211819 [0,1,0,0,0,1|1,0,1]=4 4244 B14R0.199 CCOC(=O)NCC(=O)CCCCCF 1458a_100000190774_100000729378 [0,1,0,0,0,1|1,0,0]=3 4245 B14R0.199 CCOC(=O)NCC(=O)CCCCCO 1458a_100000190774_100000746330 [0,1,0,0,0,1|1,0,0]=3 4246 B14R0.199 CCOC(=O)NCC(=O)CCCCOC 1458a_100000190774_100000755781 [0,1,0,0,0,1|1,0,0]=3 4247 B14R0.199 CCOC(=O)NCC(=O)CCOCCO 1458a_100000190774_100011215305 [0,1,0,0,0,1|2,0,0]=4 4248 B14R0.199 CCOC(=O)NCC(=O)NCCCCO 240690a_100000750430_100000190774 [0,1,0,0,0,1|1,0,0]=3 4249 B14R0.199 CCOC(=O)NCC(=O)NCCCCO 527a_100000750430_100000190774 [0,1,0,0,0,1|1,0,0]=3 4250 B14R0.199 CCOC(=O)NCC(=O)NCCCOC 1626a_100150723488_100000190774 [0,1,0,0,0,1|1,0,0]=3 4251 B14R0.199 CCOC(=O)NCC(=O)NCCCOC 240690a_100150723488_100000190774 [0,1,0,0,0,1|1,0,0]=3 4252 B14R0.199 CCOC(=O)NCC(=O)NCCCOC 527a_100150723488_100000190774 [0,1,0,0,0,1|1,0,0]=3 4253 B14R0.199 CCOC(=O)NCC(=O)NCCCSC 11a_100000749238_100000190774 [0,1,0,0,0,1|1,0,0]=3 4254 B14R0.199 CCOC(=O)NCC(=O)NCCCSC 1626a_100000749238_100000190774 [0,1,0,0,0,1|1,0,0]=3 4255 B14R0.199 CCOC(=O)NCC(=O)NCCCSC 240690a_100000749238_100000190774 [0,1,0,0,0,1|1,0,0]=3 4256 B14R0.199 CCOC(=O)NCC(=O)NCCCSC 527a_100000749238_100000190774 [0,1,0,0,0,1|1,0,0]=3 4257 B14R0.199 CCOC(=O)NCC(=O)NCCSCC 11a_100000106463_100000190774 [0,1,0,0,0,1|1,0,0]=3 4258 B14R0.199 CCOC(=O)NCC(=O)NCCSCC 1626a_100000106463_100000190774 [0,1,0,0,0,1|1,0,0]=3 4259 B14R0.199 CCOC(=O)NCC(=O)NCCSCC 240690a_100000106463_100000190774 [0,1,0,0,0,1|1,0,0]=3 4260 B14R0.199 CCOC(=O)NCC(=O)NCCSCC 527a_100000106463_100000190774 [0,1,0,0,0,1|1,0,0]=3 4261 B14R0.199 CCOC(=O)NCC(=O)NNCCOC 22a_100000741390_100000190774 [0,1,0,0,0,1|2,0,0]=4 4262 B14R0.199 CCOCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100012232248 [0,1,0,0,0,1|1,0,1]=4 4263 B14R0.199 CCOCCCC(=O)CCC(=O)OCC 1458a_100000183558_100012232248 [0,1,0,0,0,1|1,0,0]=3 4264 B14R0.199 CCOCCCC(=O)CNC(=O)OCC 1458a_100000190774_100012232248 [0,1,0,0,0,1|1,0,0]=3 4265 B14R0.199 CCOCCNC(=O)C=CC(=O)OCC 1626a_102516460346_100000210415 [0,1,0,0,0,1|1,0,1]=4 4266 B14R0.199 CCOCCNC(=O)C=CC(=O)OCC 240690a_100011200944_100000210415 [0,1,0,0,0,1|1,0,1]=4 4267 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 11a_100011200944_100000183558 [0,1,0,0,0,1|1,0,0]=3 4268 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 1626a_102516460346_100000183558 [0,1,0,0,0,1|1,0,0]=3 4269 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 240690a_100011200944_100000183558 [0,1,0,0,0,1|1,0,0]=3 4270 B14R0.199 CCOCCNC(=O)CNC(=O)OCC 11a_100011200944_100000190774 [0,1,0,0,0,1|1,0,0]=3 4271 B14R0.199 CCOCCNC(=O)CNC(=O)OCC 1626a_102516460346_100000190774 [0,1,0,0,0,1|1,0,0]=3 4272 B14R0.199 CCOCCNC(=O)CNC(=O)OCC 240690a_100011200944_100000190774 [0,1,0,0,0,1|1,0,0]=3 4273 B14R0.199 CCOCCNC(=O)CNC(=O)OCC 527a_100011200944_100000190774 [0,1,0,0,0,1|1,0,0]=3 4274 B14R0.199 CCOCCOC(C)CCC(=O)OCC 34a_100000210136_100000748298 [0,1,0,0,0,1|1,0,1]=4 4275 B14R0.199 CCOCCOC(C)CCC(=O)OCC 7a_100000210136_100000748298 [0,1,0,0,0,1|1,0,1]=4 4276 B14R0.199 CCOCSCC(=O)NCC(=O)OCC 62a_100000739092_100011215850 [0,1,0,0,0,1|1,1,0]=4 4277 B14R0.199 CCOCSCC(=O)NCC(=O)OCC 62a_100011215850_100000739092 [0,1,0,0,0,1|1,1,0]=4 4278 B14R0.199 O=C(CCF)CCC(=O)OCCCCO 1458a_200009914559_100011217306 [0,1,0,0,0,1|2,0,0]=4 4279 B14R0.199 O=C(CCO)CCC(=O)OCCCCO 1458a_200009914559_100000211926 [0,1,0,0,0,1|2,0,0]=4 4280 B14R0.227 CC(C)OC(=O)CCC(=O)CCCCO 1458a_100000695505_100000760027 [0,1,0,0,0,1|2,0,0]=4 4281 B14R0.227 CC(C)OC(=O)OCC(=O)CCCCO 1458a_100000695505_100000003507 [0,1,0,0,0,1|2,0,0]=4 4282 B14R0.227 CCCC#CC(=O)CCC(=O)OC(C)C 1458a_200011218047_100000760027 [0,1,0,0,0,1|1,0,1]=4 4283 B14R0.227 CCCC#CC(=O)COC(=O)OC(C)C 1458a_200011218047_100000003507 [0,1,0,0,0,1|1,0,1]=4 4284 B14R0.227 CCCC=CC(=O)CCC(=O)OC(C)C 1458a_100000212230_100000760027 [0,1,0,0,0,1|1,0,1]=4 4285 B14R0.227 CCCC=CC(=O)COC(=O)OC(C)C 1458a_100000212230_100000003507 [0,1,0,0,0,1|1,0,1]=4 4286 B14R0.227 CCCCCC(=O)CCC(=O)NC(C)C 1458a_100000212188_100000737564 [0,1,0,0,0,1|2,0,0]=4 4287 B14R0.227 CCCCCC(=O)CCC(=O)OC(C)C 1458a_100000212188_100000760027 [0,1,0,0,0,1|1,0,0]=3 4288 B14R0.227 CCCCCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210326 [0,1,0,0,0,1|2,0,0]=4 4289 B14R0.227 CCCCCC(=O)COC(=O)OC(C)C 1458a_100000212188_100000003507 [0,1,0,0,0,1|1,0,0]=3 4290 B14R0.227 CCCCCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000212188 [0,1,0,0,0,1|2,0,0]=4 4291 B14R0.227 CCCCCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000212188 [0,1,0,0,0,1|2,0,0]=4 4292 B14R0.227 CCCCCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000212188 [0,1,0,0,0,1|2,0,0]=4 4293 B14R0.227 CCCCCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000212188 [0,1,0,0,0,1|2,0,0]=4 4294 B14R0.227 CCCCNC(=O)C=CC(=O)OC(C)C 1626a_100000102301_200016297642 [0,1,0,0,0,1|1,0,1]=4 4295 B14R0.227 CCCCNC(=O)CNC(=O)CC(C)C 11a_100000102301_100000194594 [0,1,0,0,0,1|2,0,0]=4 4296 B14R0.227 CCCCNC(=O)CNC(=O)CC(C)C 1626a_100000102301_100000194594 [0,1,0,0,0,1|2,0,0]=4 4297 B14R0.227 CCCCNC(=O)CNC(=O)CC(C)C 240690a_100000102301_100000194594 [0,1,0,0,0,1|2,0,0]=4 4298 B14R0.227 CCCCNC(=O)CNC(=O)CC(C)C 527a_100000102301_100000194594 [0,1,0,0,0,1|2,0,0]=4 4299 B14R0.227 CCCCNC(=O)NCC(=O)NC(C)C 2708a_100000102301_100000168517 [0,1,0,0,0,1|2,0,0]=4 4300 B14R0.227 CCCCNC(=O)NCC(=O)NC(C)C 2708a_100000168517_100000102301 [0,1,0,0,0,1|2,0,0]=4 4301 B14R0.227 CCCCNC(=O)NCC(=O)NC(C)C 273464a_100000102301_100000168517 [0,1,0,0,0,1|2,0,0]=4 4302 B14R0.227 CCCCNC(=O)NCC(=O)NC(C)C 273464a_100000168517_100000102301 [0,1,0,0,0,1|2,0,0]=4 4303 B14R0.227 CCCCNC(=O)NCC(=O)NC(C)C 512a_100000102301_100000168517 [0,1,0,0,0,1|2,0,0]=4 4304 B14R0.227 CCCCNC(=O)NCC(=O)NC(C)C 512a_100000168517_100000102301 [0,1,0,0,0,1|2,0,0]=4 4305 B14R0.227 CCCCOC(=O)C=CC(=O)NC(C)C 1626a_100138425928_100015195251 [0,1,0,0,0,1|1,0,1]=4 4306 B14R0.227 CCCCOC(=O)C=CC(=O)NC(C)C 240690a_100138425928_100015195251 [0,1,0,0,0,1|1,0,1]=4 4307 B14R0.227 CCCOCC(=O)CCC(=O)OC(C)C 1458a_100000745993_100000760027 [0,1,0,0,0,1|2,0,0]=4 4308 B14R0.227 CCCOCC(=O)COC(=O)OC(C)C 1458a_100000745993_100000003507 [0,1,0,0,0,1|2,0,0]=4 4309 B14R0.227 CCCSCC(=O)CCC(=O)OC(C)C 1458a_100000217233_100000760027 [0,1,0,0,0,1|2,0,0]=4 4310 B14R0.227 CCCSCC(=O)COC(=O)OC(C)C 1458a_100000217233_100000003507 [0,1,0,0,0,1|2,0,0]=4 4311 B14R0.227 CCOCCC(=O)CCC(=O)OC(C)C 1458a_100000749530_100000760027 [0,1,0,0,0,1|2,0,0]=4 4312 B14R0.227 CCOCCC(=O)COC(=O)OC(C)C 1458a_100000749530_100000003507 [0,1,0,0,0,1|2,0,0]=4 4313 B14R0.227 CCSCCC(=O)CCC(=O)OC(C)C 1458a_100000230768_100000760027 [0,1,0,0,0,1|2,0,0]=4 4314 B14R0.227 CCSCCC(=O)COC(=O)OC(C)C 1458a_100000230768_100000003507 [0,1,0,0,0,1|2,0,0]=4 4315 B14R0.227 COCCCC(=O)CCC(=O)OC(C)C 1458a_100000741012_100000760027 [0,1,0,0,0,1|2,0,0]=4 4316 B14R0.227 COCCCC(=O)COC(=O)OC(C)C 1458a_100000741012_100000003507 [0,1,0,0,0,1|2,0,0]=4 4317 B14R0.227 CSCCCC(=O)CCC(=O)OC(C)C 1458a_100000173376_100000760027 [0,1,0,0,0,1|2,0,0]=4 4318 B14R0.227 CSCCCC(=O)COC(=O)OC(C)C 1458a_100000173376_100000003507 [0,1,0,0,0,1|2,0,0]=4 4319 B14R0.232 C=C(CC(=O)OCCCC)C(=O)NCC 240690a_100015525214_100000049090 [0,1,0,0,0,1|1,0,0]=3 4320 B14R0.232 C=C(CC(=O)OCCCC)C(=O)NNC 22a_100016993582_100000049090 [0,1,0,0,0,1|2,0,0]=4 4321 B14R0.232 CC/C=C(\C)/C(=O)CC(=O)OCCCC 1458a_100016988807_100000211628 [0,1,0,0,0,1|2,0,0]=4 4322 B14R0.232 CCCC=CC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000212230 [0,1,0,0,0,1|1,0,1]=4 4323 B14R0.232 CCCCCC(=O)CC(=O)C(=O)NCC 1458a_200011297158_200012276598 [0,1,0,0,0,1|2,0,0]=4 4324 B14R0.232 CCCCCC(=O)NC(C)C(=O)NCC 11a_100000736553_100000212188 [0,1,0,0,0,1|2,0,0]=4 4325 B14R0.232 CCCCCC(=O)NC(C)C(=O)NCC 1626a_100000736553_100000212188 [0,1,0,0,0,1|2,0,0]=4 4326 B14R0.232 CCCCCC(=O)NC(C)C(=O)NCC 240690a_100000736553_100000212188 [0,1,0,0,0,1|2,0,0]=4 4327 B14R0.232 CCCCCC(=O)NC(C)C(=O)NCC 527a_100000736553_100000212188 [0,1,0,0,0,1|2,0,0]=4 4328 B14R0.232 CCCCCC(=O)N[C@@H](C)C(=O)SCC 11a_100103168634_100000212188 [0,1,0,0,0,1|1,1,0]=4 4329 B14R0.232 CCCCCC(=O)N[C@@H](C)C(=O)SCC 1626a_100103168634_100000212188 [0,1,0,0,0,1|1,1,0]=4 4330 B14R0.232 CCCCCC(=O)N[C@@H](C)C(=O)SCC 240690a_100103168634_100000212188 [0,1,0,0,0,1|1,1,0]=4 4331 B14R0.232 CCCCCC(=O)N[C@@H](C)C(=O)SCC 527a_100103168634_100000212188 [0,1,0,0,0,1|1,1,0]=4 4332 B14R0.232 CCCCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000212188 [0,1,0,0,0,1|1,0,0]=3 4333 B14R0.232 CCCCNC(=O)CC(=O)C(=O)NCC 1458a_200011297158_100000182744 [0,1,0,0,0,1|2,0,0]=4 4334 B14R0.232 CCCCNC(=O)CN(C)C(=O)CCC 1626a_200000213093_100000211992 [0,1,0,0,0,1|2,0,0]=4 4335 B14R0.232 CCCCNC(=O)CN(C)C(=O)CCC 240690a_200000213093_100000211992 [0,1,0,0,0,1|2,0,0]=4 4336 B14R0.232 CCCCNC(=O)CN(C)C(=O)CCC 527a_200000213093_100000211992 [0,1,0,0,0,1|2,0,0]=4 4337 B14R0.232 CCCCNC(=O)CN(C)C(=O)NCC 2708a_100015525214_200000213093 [0,1,0,0,0,1|2,0,0]=4 4338 B14R0.232 CCCCNC(=O)CN(C)C(=O)NCC 273464a_100015525214_200000213093 [0,1,0,0,0,1|2,0,0]=4 4339 B14R0.232 CCCCNC(=O)NC(C)C(=O)NCC 2708a_100000102301_100000736553 [0,1,0,0,0,1|2,0,0]=4 4340 B14R0.232 CCCCNC(=O)NC(C)C(=O)NCC 273464a_100000736553_100000102301 [0,1,0,0,0,1|2,0,0]=4 4341 B14R0.232 CCCCNC(=O)NC(C)C(=O)NCC 512a_100000102301_100000736553 [0,1,0,0,0,1|2,0,0]=4 4342 B14R0.232 CCCCNC(=O)NC(C)C(=O)NCC 512a_100000736553_100000102301 [0,1,0,0,0,1|2,0,0]=4 4343 B14R0.232 CCCCNC(=O)N[C@@H](C)C(=O)SCC 2708a_100000102301_100103168634 [0,1,0,0,0,1|1,1,0]=4 4344 B14R0.232 CCCCNC(=O)N[C@@H](C)C(=O)SCC 2708a_100103168634_100000102301 [0,1,0,0,0,1|1,1,0]=4 4345 B14R0.232 CCCCNC(=O)N[C@@H](C)C(=O)SCC 273464a_100000102301_100103168634 [0,1,0,0,0,1|1,1,0]=4 4346 B14R0.232 CCCCNC(=O)N[C@@H](C)C(=O)SCC 273464a_100103168634_100000102301 [0,1,0,0,0,1|1,1,0]=4 4347 B14R0.232 CCCCNC(=O)N[C@@H](C)C(=O)SCC 512a_100000102301_100103168634 [0,1,0,0,0,1|1,1,0]=4 4348 B14R0.232 CCCCNC(=O)N[C@@H](C)C(=O)SCC 512a_100103168634_100000102301 [0,1,0,0,0,1|1,1,0]=4 4349 B14R0.232 CCCCOC(=O)CC(=O)C(=O)NCC 1458a_200011297158_100000211628 [0,1,0,0,0,1|1,0,0]=3 4350 B14R0.232 CCCCOC(=O)CC(=O)C(C)OCC 1458a_100000739345_100000211628 [0,1,0,0,0,1|1,0,1]=4 4351 B14R0.232 CCCOCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000745993 [0,1,0,0,0,1|2,0,0]=4 4352 B14R0.232 CCCSCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000217233 [0,1,0,0,0,1|2,0,0]=4 4353 B14R0.232 CCNC(=O)C(=O)CC(=O)OCCOC 1458a_200011297158_200000040189 [0,1,0,0,0,1|2,0,0]=4 4354 B14R0.232 CCOC(=O)[C@@H](C)NC(=O)CCCCO 188690a_100016988386_100000695505 [0,1,0,0,0,1|2,0,0]=4 4355 B14R0.232 CCOC(=O)[C@@H](C)NC(=O)CCCOC 188690a_100016988386_100000741012 [0,1,0,0,0,1|2,0,0]=4 4356 B14R0.232 CCOC(=O)[C@@H](C)NC(=O)CCCSC 188690a_100016988386_100000173376 [0,1,0,0,0,1|2,0,0]=4 4357 B14R0.232 CCOC(=O)[C@@H](C)NC(=O)CCSCC 188690a_100016988386_100000230768 [0,1,0,0,0,1|2,0,0]=4 4358 B14R0.232 CCOCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000749530 [0,1,0,0,0,1|2,0,0]=4 4359 B14R0.244 CCCCCC(=O)CNC(=O)C(C)CC 1458a_100000743532_100000210326 [0,1,0,0,0,1|2,0,0]=4 4360 B14R0.244 CCCCNC(=O)CNC(=O)C(C)CC 11a_100000102301_100000743532 [0,1,0,0,0,1|2,0,0]=4 4361 B14R0.244 CCCCNC(=O)CNC(=O)C(C)CC 1626a_100000102301_100000743532 [0,1,0,0,0,1|2,0,0]=4 4362 B14R0.244 CCCCNC(=O)CNC(=O)C(C)CC 240690a_100000102301_100000743532 [0,1,0,0,0,1|2,0,0]=4 4363 B14R0.244 CCCCNC(=O)CNC(=O)C(C)CC 527a_100000102301_100000743532 [0,1,0,0,0,1|2,0,0]=4 4364 B14R0.244 CCCCOC(=O)C=CC(=O)N(C)CC 1626a_100000225621_100015195251 [0,1,0,0,0,1|1,0,1]=4 4365 B14R0.244 CCCCOC(=O)C=CC(=O)N(C)CC 240690a_100000225621_100015195251 [0,1,0,0,0,1|1,0,1]=4 4366 B14R0.431 CCCC(=O)OCC(=O)CCCC(C)C 1458a_100011216857_100000034017 [0,1,0,0,0,1|2,0,0]=4 4367 B14R0.431 CCNC(=O)CCC(=O)CCCC(C)C 1458a_100000199579_100011214892 [0,1,0,0,0,1|2,0,0]=4 4368 B14R0.431 CCNC(=O)CCC(=O)CCCC(C)O 1458a_100000199579_200000718107 [0,1,0,0,0,1|2,0,0]=4 4369 B14R0.431 CCNC(=O)CCC(=O)NCCC(C)C 11a_100000210545_100000199579 [0,1,0,0,0,1|2,0,0]=4 4370 B14R0.431 CCNC(=O)CCC(=O)NCCC(C)C 1626a_100000210545_100000199579 [0,1,0,0,0,1|2,0,0]=4 4371 B14R0.431 CCNC(=O)CCC(=O)NCCC(C)C 240690a_100000210545_100000199579 [0,1,0,0,0,1|2,0,0]=4 4372 B14R0.431 CCNC(=O)CCC(=O)NCCC(C)O 240690a_200000755665_100000199579 [0,1,0,0,0,1|2,0,0]=4 4373 B14R0.431 CCNC(=O)CNC(=O)CCCC(C)C 11a_100016988866_100011216857 [0,1,0,0,0,1|2,0,0]=4 4374 B14R0.431 CCNC(=O)CNC(=O)CCCC(C)C 1626a_100016988866_100011216857 [0,1,0,0,0,1|2,0,0]=4 4375 B14R0.431 CCNC(=O)CNC(=O)CCCC(C)C 240690a_100016988866_100011216857 [0,1,0,0,0,1|2,0,0]=4 4376 B14R0.431 CCNC(=O)CNC(=O)CCCC(C)C 527a_100016988866_100011216857 [0,1,0,0,0,1|2,0,0]=4 4377 B14R0.431 CCNC(=O)CNC(=O)CCCC(C)O 1626a_100016988866_100000761597 [0,1,0,0,0,1|2,0,0]=4 4378 B14R0.431 CCNC(=O)CNC(=O)CCCC(C)O 527a_100016988866_100000761597 [0,1,0,0,0,1|2,0,0]=4 4379 B14R0.431 CCNC(=O)CNC(=O)NCCC(C)C 2708a_100000210545_100016988866 [0,1,0,0,0,1|2,0,0]=4 4380 B14R0.431 CCNC(=O)CNC(=O)NCCC(C)C 2708a_100016988866_100000210545 [0,1,0,0,0,1|2,0,0]=4 4381 B14R0.431 CCNC(=O)CNC(=O)NCCC(C)C 273464a_100000210545_100016988866 [0,1,0,0,0,1|2,0,0]=4 4382 B14R0.431 CCNC(=O)CNC(=O)NCCC(C)C 273464a_100016988866_100000210545 [0,1,0,0,0,1|2,0,0]=4 4383 B14R0.431 CCNC(=O)CNC(=O)NCCC(C)C 512a_100000210545_100016988866 [0,1,0,0,0,1|2,0,0]=4 4384 B14R0.431 CCNC(=O)CNC(=O)NCCC(C)C 512a_100016988866_100000210545 [0,1,0,0,0,1|2,0,0]=4 4385 B14R0.431 CCNC(=O)CNC(=O)NCCC(C)O 2708a_100016988866_200000755665 [0,1,0,0,0,1|2,0,0]=4 4386 B14R0.431 CCNC(=O)CNC(=O)NCCC(C)O 273464a_200000755665_100016988866 [0,1,0,0,0,1|2,0,0]=4 4387 B14R0.431 CCNC(=O)CNC(=O)NCCC(C)O 512a_100016988866_200000755665 [0,1,0,0,0,1|2,0,0]=4 4388 B14R0.431 CCNC(=O)CNC(=O)NCCC(C)O 512a_200000755665_100016988866 [0,1,0,0,0,1|2,0,0]=4 4389 B14R0.431 CCOC(=O)C=CC(=O)CCCC(C)C 1458a_100000210415_100011214892 [0,1,0,0,0,1|1,0,1]=4 4390 B14R0.431 CCOC(=O)C=CC(=O)CCCC(C)O 1458a_100000210415_200000718107 [0,1,0,0,0,1|1,0,1]=4 4391 B14R0.431 CCOC(=O)C=CC(=O)NCCC(C)C 1626a_100000210545_100000210415 [0,1,0,0,0,1|1,0,1]=4 4392 B14R0.431 CCOC(=O)C=CC(=O)NCCC(C)C 240690a_100000210545_100000210415 [0,1,0,0,0,1|1,0,1]=4 4393 B14R0.431 CCOC(=O)C=CC(=O)NCCC(C)O 240690a_200000755665_100000210415 [0,1,0,0,0,1|1,0,1]=4 4394 B14R0.431 CCOC(=O)CCC(=O)CCCC(=O)C 1458a_100000183558_100011215641 [0,1,0,0,0,1|1,0,1]=4 4395 B14R0.431 CCOC(=O)CCC(=O)CCCC(C)C 1458a_100000183558_100011214892 [0,1,0,0,0,1|1,0,0]=3 4396 B14R0.431 CCOC(=O)CCC(=O)CCCC(C)O 1458a_100000183558_200000718107 [0,1,0,0,0,1|1,0,0]=3 4397 B14R0.431 CCOC(=O)CCC(=O)CCCN(C)C 1458a_100000183558_100000695564 [0,1,0,0,0,1|2,0,0]=4 4398 B14R0.431 CCOC(=O)CCC(=O)CCOC(C)C 1458a_100000183558_100000211751 [0,1,0,0,0,1|2,0,0]=4 4399 B14R0.431 CCOC(=O)CCC(=O)CCSC(C)C 1458a_100000183558_100000730970 [0,1,0,0,0,1|2,0,0]=4 4400 B14R0.431 CCOC(=O)CCC(=O)NCCC(C)C 11a_100000210545_100000183558 [0,1,0,0,0,1|1,0,0]=3 4401 B14R0.431 CCOC(=O)CCC(=O)NCCC(C)C 1626a_100000210545_100000183558 [0,1,0,0,0,1|1,0,0]=3 4402 B14R0.431 CCOC(=O)CCC(=O)NCCC(C)C 240690a_100000210545_100000183558 [0,1,0,0,0,1|1,0,0]=3 4403 B14R0.431 CCOC(=O)CCC(=O)NCCC(C)O 240690a_200000755665_100000183558 [0,1,0,0,0,1|1,0,0]=3 4404 B14R0.431 CCOC(=O)CCC(=O)NCCN(C)C 240690a_100000210585_100000183558 [0,1,0,0,0,1|2,0,0]=4 4405 B14R0.431 CCOC(=O)CCC(C)OCCC(C)Br 34a_100009893172_100000748298 [0,1,0,0,0,1|1,0,1]=4 4406 B14R0.431 CCOC(=O)CCC(C)OCCC(C)C 34a_100000210254_100000748298 [0,1,0,0,0,1|1,0,1]=4 4407 B14R0.431 CCOC(=O)CCC(C)OCCC(C)C 7a_100000210254_100000748298 [0,1,0,0,0,1|1,0,1]=4 4408 B14R0.431 CCOC(=O)CCC(C)OCC[C@@H](C)N 34a_100000706166_100000748298 [0,1,0,0,0,1|1,0,1]=4 4409 B14R0.431 CCOC(=O)CNC(=O)CCCC(C)C 188690a_100000741813_100011216857 [0,1,0,0,0,1|1,0,0]=3 4410 B14R0.431 CCOC(=O)CNC(=O)CCCC(C)O 188690a_100000741813_100000761597 [0,1,0,0,0,1|1,0,0]=3 4411 B14R0.431 CCOC(=O)CNC(=O)CCCN(C)C 188690a_100000741813_100000740757 [0,1,0,0,0,1|2,0,0]=4 4412 B14R0.431 CCOC(=O)CNC(=O)CNCC(C)C 2230a_100000210953_100011215850 [0,1,0,0,0,1|2,0,0]=4 4413 B14R0.431 CCOC(=O)CNC(=O)CNCC(C)C 34a_100000210953_100011215850 [0,1,0,0,0,1|2,0,0]=4 4414 B14R0.431 CCOC(=O)CNC(=O)CNCC(C)O 2230a_100000210904_100011215850 [0,1,0,0,0,1|2,0,0]=4 4415 B14R0.431 CCOC(=O)CNC(=O)CNCC(C)O 34a_100000210904_100011215850 [0,1,0,0,0,1|2,0,0]=4 4416 B14R0.431 CCOC(=O)CNC(=O)COCC(C)Br 34a_100012180447_100011215850 [0,1,0,0,0,1|2,0,0]=4 4417 B14R0.431 CCOC(=O)CNC(=O)COCC(C)C 188690a_100000741813_100011223364 [0,1,0,0,0,1|2,0,0]=4 4418 B14R0.431 CCOC(=O)CNC(=O)COCC(C)C 34a_100000210257_100011215850 [0,1,0,0,0,1|2,0,0]=4 4419 B14R0.431 CCOC(=O)CNC(=O)COCC(C)F 34a_100015925927_100011215850 [0,1,0,0,0,1|2,0,0]=4 4420 B14R0.431 CCOC(=O)CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100011215850 [0,1,0,0,0,1|2,0,0]=4 4421 B14R0.431 CCOC(=O)CNC(=O)COC[C@@H](C)N 34a_100000737577_100011215850 [0,1,0,0,0,1|2,0,0]=4 4422 B14R0.431 CCOC(=O)CNC(=O)CSCC(C)C 62a_100000210624_100011215850 [0,1,0,0,0,1|2,0,0]=4 4423 B14R0.431 CCOC(=O)CNC(=O)CSCC(C)C 62a_100011215850_100000210760 [0,1,0,0,0,1|2,0,0]=4 4424 B14R0.431 CCOC(=O)CNC(=O)CSCC(C)O 62a_100011215850_100011218427 [0,1,0,0,0,1|2,0,0]=4 4425 B14R0.431 CCOC(=O)CNC(=O)CSCC(C)O 62a_100011218427_100011215850 [0,1,0,0,0,1|2,0,0]=4 4426 B14R0.431 CCOC(=O)CNC(=O)CSC[C@@H](C)O 62a_100009817552_100011215850 [0,1,0,0,0,1|2,0,0]=4 4427 B14R0.431 CCOC(=O)CNC(=O)CSC[C@@H](C)O 62a_100011215850_100009817552 [0,1,0,0,0,1|2,0,0]=4 4428 B14R0.431 CCOC(=O)NCC(=O)CCCC(=O)C 1458a_100000190774_100011215641 [0,1,0,0,0,1|1,0,1]=4 4429 B14R0.431 CCOC(=O)NCC(=O)CCCC(C)C 1458a_100000190774_100011214892 [0,1,0,0,0,1|1,0,0]=3 4430 B14R0.431 CCOC(=O)NCC(=O)CCCC(C)O 1458a_100000190774_200000718107 [0,1,0,0,0,1|1,0,0]=3 4431 B14R0.431 CCOC(=O)NCC(=O)CCCN(C)C 1458a_100000190774_100000695564 [0,1,0,0,0,1|2,0,0]=4 4432 B14R0.431 CCOC(=O)NCC(=O)CCOC(C)C 1458a_100000190774_100000211751 [0,1,0,0,0,1|2,0,0]=4 4433 B14R0.431 CCOC(=O)NCC(=O)CCSC(C)C 1458a_100000190774_100000730970 [0,1,0,0,0,1|2,0,0]=4 4434 B14R0.431 CCOC(=O)NCC(=O)NCCC(C)C 11a_100000210545_100000190774 [0,1,0,0,0,1|1,0,0]=3 4435 B14R0.431 CCOC(=O)NCC(=O)NCCC(C)C 1626a_100000210545_100000190774 [0,1,0,0,0,1|1,0,0]=3 4436 B14R0.431 CCOC(=O)NCC(=O)NCCC(C)C 240690a_100000210545_100000190774 [0,1,0,0,0,1|1,0,0]=3 4437 B14R0.431 CCOC(=O)NCC(=O)NCCC(C)C 527a_100000210545_100000190774 [0,1,0,0,0,1|1,0,0]=3 4438 B14R0.431 CCOC(=O)NCC(=O)NCCC(C)O 240690a_200000755665_100000190774 [0,1,0,0,0,1|1,0,0]=3 4439 B14R0.431 CCOC(=O)NCC(=O)NCCC(C)O 527a_200000755665_100000190774 [0,1,0,0,0,1|1,0,0]=3 4440 B14R0.431 CCOC(=O)NCC(=O)NCCN(C)C 240690a_100000210585_100000190774 [0,1,0,0,0,1|2,0,0]=4 4441 B14R0.431 CCOC(=O)NCC(=O)NCCN(C)C 527a_100000210585_100000190774 [0,1,0,0,0,1|2,0,0]=4 4442 B14R0.431 CCOC(=O)NCC(=O)NNCC(C)C 22a_100000696102_100000190774 [0,1,0,0,0,1|2,0,0]=4 4443 B14R0.431 CCOC(=O)NCC(=O)NNCC(C)O 22a_200000730056_100000190774 [0,1,0,0,0,1|2,0,0]=4 4444 B14R0.529 C=CCOC(=O)NCC(=O)CCCCC 1458a_100000216761_100000210326 [0,1,0,0,0,1|1,0,1]=4 4445 B14R0.529 C=CCOC(=O)NCC(=O)NCCCC 11a_100000102301_100000216761 [0,1,0,0,0,1|1,0,1]=4 4446 B14R0.529 C=CCOC(=O)NCC(=O)NCCCC 1626a_100000102301_100000216761 [0,1,0,0,0,1|1,0,1]=4 4447 B14R0.529 C=CCOC(=O)NCC(=O)NCCCC 240690a_100000102301_100000216761 [0,1,0,0,0,1|1,0,1]=4 4448 B14R0.529 C=CCOC(=O)NCC(=O)NCCCC 527a_100000102301_100000216761 [0,1,0,0,0,1|1,0,1]=4 4449 B14R0.529 CCCC#CC(=O)COC(=O)OCCC 1458a_200011218047_200000139673 [0,1,0,0,0,1|1,0,1]=4 4450 B14R0.529 CCCC=CC(=O)COC(=O)OCCC 1458a_100000212230_200000139673 [0,1,0,0,0,1|1,0,1]=4 4451 B14R0.529 CCCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210326 [0,1,0,0,0,1|2,0,0]=4 4452 B14R0.529 CCCCCC(=O)COC(=O)OCCC 1458a_100000212188_200000139673 [0,1,0,0,0,1|1,0,0]=3 4453 B14R0.529 CCCCCC(=O)NCC(=O)NCCC 11a_100000174927_100000212188 [0,1,0,0,0,1|2,0,0]=4 4454 B14R0.529 CCCCCC(=O)NCC(=O)NCCC 1626a_100000174927_100000212188 [0,1,0,0,0,1|2,0,0]=4 4455 B14R0.529 CCCCCC(=O)NCC(=O)NCCC 240690a_100000174927_100000212188 [0,1,0,0,0,1|2,0,0]=4 4456 B14R0.529 CCCCCC(=O)NCC(=O)NCCC 527a_100000174927_100000212188 [0,1,0,0,0,1|2,0,0]=4 4457 B14R0.529 CCCCCC(=O)NCC(=O)NCCF 11a_100000725713_100000212188 [0,1,0,0,0,1|2,0,0]=4 4458 B14R0.529 CCCCCC(=O)NCC(=O)NCCF 1626a_100000725713_100000212188 [0,1,0,0,0,1|2,0,0]=4 4459 B14R0.529 CCCCCC(=O)NCC(=O)NCCF 240690a_100000725713_100000212188 [0,1,0,0,0,1|2,0,0]=4 4460 B14R0.529 CCCCCC(=O)NCC(=O)NCCF 527a_100000725713_100000212188 [0,1,0,0,0,1|2,0,0]=4 4461 B14R0.529 CCCCCC(=O)NNC(=O)COCC 22a_100000189784_100000211967 [0,1,0,0,0,1|2,0,0]=4 4462 B14R0.529 CCCCCC(=O)NNC(=O)COCC 22a_100000216846_100000212188 [0,1,0,0,0,1|2,0,0]=4 4463 B14R0.529 CCCCNC(=O)CCC(=O)NCCC 11a_100000102301_100000199543 [0,1,0,0,0,1|2,0,0]=4 4464 B14R0.529 CCCCNC(=O)CCC(=O)NCCC 1626a_100000102301_100000199543 [0,1,0,0,0,1|2,0,0]=4 4465 B14R0.529 CCCCNC(=O)CCC(=O)NCCC 240690a_100000102301_100000199543 [0,1,0,0,0,1|2,0,0]=4 4466 B14R0.529 CCCCNC(=O)CCC(=O)NCCC 527a_100000102301_100000199543 [0,1,0,0,0,1|2,0,0]=4 4467 B14R0.529 CCCCNC(=O)NCC(=O)NCCC 2708a_100000102301_100000174927 [0,1,0,0,0,1|2,0,0]=4 4468 B14R0.529 CCCCNC(=O)NCC(=O)NCCC 273464a_100000102301_100000174927 [0,1,0,0,0,1|2,0,0]=4 4469 B14R0.529 CCCCNC(=O)NCC(=O)NCCC 273464a_100000174927_100000102301 [0,1,0,0,0,1|2,0,0]=4 4470 B14R0.529 CCCCNC(=O)NCC(=O)NCCC 512a_100000102301_100000174927 [0,1,0,0,0,1|2,0,0]=4 4471 B14R0.529 CCCCNC(=O)NCC(=O)NCCC 512a_100000174927_100000102301 [0,1,0,0,0,1|2,0,0]=4 4472 B14R0.529 CCCCNC(=O)NCC(=O)NCCF 2708a_100000102301_100000725713 [0,1,0,0,0,1|2,0,0]=4 4473 B14R0.529 CCCCNC(=O)NCC(=O)NCCF 273464a_100000102301_100000725713 [0,1,0,0,0,1|2,0,0]=4 4474 B14R0.529 CCCCNC(=O)NCC(=O)NCCF 273464a_100000725713_100000102301 [0,1,0,0,0,1|2,0,0]=4 4475 B14R0.529 CCCCNC(=O)NCC(=O)NCCF 512a_100000102301_100000725713 [0,1,0,0,0,1|2,0,0]=4 4476 B14R0.529 CCCCNC(=O)NNC(=O)COCC 273464a_100000102301_100000216846 [0,1,0,0,0,1|2,0,0]=4 4477 B14R0.529 CCCCOC(=O)C=CC(=O)NCCC 1626a_100020643023_100015195251 [0,1,0,0,0,1|1,0,1]=4 4478 B14R0.529 CCCCOC(=O)C=CC(=O)NCCC 240690a_100020643023_100015195251 [0,1,0,0,0,1|1,0,1]=4 4479 B14R0.529 CCCCOC(=O)C=CC(=O)NCCF 1626a_100000724931_100015195251 [0,1,0,0,0,1|1,0,1]=4 4480 B14R0.529 CCCCOC(=O)C=CC(=O)NCCF 240690a_100000724931_100015195251 [0,1,0,0,0,1|1,0,1]=4 4481 B14R0.529 CCCCOC(=O)C=CC(=O)NCCO 240690a_100000210304_100015195251 [0,1,0,0,0,1|1,0,1]=4 4482 B14R0.529 CCCCOC(=O)C=CC(=O)NNCC 22a_100000756455_100015195251 [0,1,0,0,0,1|1,0,1]=4 4483 B14R0.529 CCCCOC(=O)CCC(=NNCC)C 4a_100000756455_200011212340 [0,1,0,0,0,1|2,0,0]=4 4484 B14R0.529 CCCCOC(=O)COC(C)COCC 34a_100000718985_100000211628 [0,1,0,0,0,1|1,0,1]=4 4485 B14R0.529 CCCCOC(=O)COC(C)COCC 7a_100000718985_100000211628 [0,1,0,0,0,1|1,0,1]=4 4486 B14R0.529 CCCOC(=O)OCC(=O)CCCCO 1458a_100000695505_200000139673 [0,1,0,0,0,1|2,0,0]=4 4487 B14R0.529 CCCOC(=O)OCC(=O)CCCOC 1458a_100000741012_200000139673 [0,1,0,0,0,1|2,0,0]=4 4488 B14R0.529 CCCOC(=O)OCC(=O)CCCSC 1458a_100000173376_200000139673 [0,1,0,0,0,1|2,0,0]=4 4489 B14R0.529 CCCOC(=O)OCC(=O)CCOCC 1458a_100000749530_200000139673 [0,1,0,0,0,1|2,0,0]=4 4490 B14R0.529 CCCOC(=O)OCC(=O)CCSCC 1458a_100000230768_200000139673 [0,1,0,0,0,1|2,0,0]=4 4491 B14R0.529 CCCOC(=O)OCC(=O)CSCCC 1458a_100000217233_200000139673 [0,1,0,0,0,1|2,0,0]=4 4492 B14R0.529 CCCOCC(=O)COC(=O)OCCC 1458a_100000745993_200000139673 [0,1,0,0,0,1|2,0,0]=4 4493 B14R0.529 CCOCC(=O)NCC(=O)NCCOC 1626a_100000754632_100000211967 [0,1,0,0,0,1|2,0,0]=4 4494 B14R0.529 CCOCC(=O)NCC(=O)NCCOC 240690a_100000754632_100000211967 [0,1,0,0,0,1|2,0,0]=4 4495 B14R0.529 CCOCC(=O)NCC(=O)NCCOC 527a_100000754632_100000211967 [0,1,0,0,0,1|2,0,0]=4 4496 B14R0.597 CCC/C=C(\C)/C(=O)NCC(=O)OCC 188690a_100000741813_200020648666 [0,1,0,0,0,1|1,0,1]=4 4497 B14R0.597 CCCCC(C)C(=O)C=CC(=O)OCC 1458a_100000210415_200011215066 [0,1,0,0,0,1|1,0,1]=4 4498 B14R0.597 CCCCC(C)C(=O)CCC(=O)NCC 1458a_100000199579_200011215066 [0,1,0,0,0,1|2,0,0]=4 4499 B14R0.597 CCCCC(C)C(=O)CCC(=O)OCC 1458a_100000183558_200011215066 [0,1,0,0,0,1|1,0,0]=3 4500 B14R0.597 CCCCC(C)C(=O)CNC(=O)OCC 1458a_100000190774_200011215066 [0,1,0,0,0,1|1,0,0]=3 4501 B14R0.597 CCCCC(C)C(=O)COC(=O)CCC 1458a_100000725509_100000034017 [0,1,0,0,0,1|2,0,0]=4 4502 B14R0.597 CCCCC(C)C(=O)NCC(=O)NCC 11a_100016988866_100000725509 [0,1,0,0,0,1|2,0,0]=4 4503 B14R0.597 CCCCC(C)C(=O)NCC(=O)NCC 1626a_100016988866_100000725509 [0,1,0,0,0,1|2,0,0]=4 4504 B14R0.597 CCCCC(C)C(=O)NCC(=O)NCC 240690a_100016988866_100000725509 [0,1,0,0,0,1|2,0,0]=4 4505 B14R0.597 CCCCC(C)C(=O)NCC(=O)NCC 527a_100016988866_100000725509 [0,1,0,0,0,1|2,0,0]=4 4506 B14R0.597 CCCCC(C)C(=O)NCC(=O)OCC 188690a_100000741813_100000725509 [0,1,0,0,0,1|1,0,0]=3 4507 B14R0.597 CCCCC(O)C(=O)COC(=O)CCC 1458a_100000720857_100000034017 [0,1,0,0,0,1|2,0,0]=4 4508 B14R0.597 CCCCC(O)C(=O)NCC(=O)NCC 240690a_100016988866_100000720857 [0,1,0,0,0,1|2,0,0]=4 4509 B14R0.597 CCCCC(O)C(=O)NCC(=O)NCC 527a_100016988866_100000720857 [0,1,0,0,0,1|2,0,0]=4 4510 B14R0.597 CCCCC(O)C(=O)NCC(=O)OCC 188690a_100000741813_100000720857 [0,1,0,0,0,1|1,0,0]=3 4511 B14R0.597 CCCCN(C)C(=O)C=CC(=O)OCC 1626a_100000207549_100000210415 [0,1,0,0,0,1|1,0,1]=4 4512 B14R0.597 CCCCN(C)C(=O)C=CC(=O)OCC 240690a_100000207549_100000210415 [0,1,0,0,0,1|1,0,1]=4 4513 B14R0.597 CCCCN(C)C(=O)CCC(=O)NCC 11a_100000207549_100000199579 [0,1,0,0,0,1|2,0,0]=4 4514 B14R0.597 CCCCN(C)C(=O)CCC(=O)NCC 1626a_100000207549_100000199579 [0,1,0,0,0,1|2,0,0]=4 4515 B14R0.597 CCCCN(C)C(=O)CCC(=O)NCC 240690a_100000207549_100000199579 [0,1,0,0,0,1|2,0,0]=4 4516 B14R0.597 CCCCN(C)C(=O)CCC(=O)OCC 11a_100000207549_100000183558 [0,1,0,0,0,1|1,0,0]=3 4517 B14R0.597 CCCCN(C)C(=O)CCC(=O)OCC 1626a_100000207549_100000183558 [0,1,0,0,0,1|1,0,0]=3 4518 B14R0.597 CCCCN(C)C(=O)CCC(=O)OCC 240690a_100000207549_100000183558 [0,1,0,0,0,1|1,0,0]=3 4519 B14R0.597 CCCCN(C)C(=O)CNC(=O)OCC 11a_100000207549_100000190774 [0,1,0,0,0,1|1,0,0]=3 4520 B14R0.597 CCCCN(C)C(=O)CNC(=O)OCC 1626a_100000207549_100000190774 [0,1,0,0,0,1|1,0,0]=3 4521 B14R0.597 CCCCN(C)C(=O)CNC(=O)OCC 240690a_100000207549_100000190774 [0,1,0,0,0,1|1,0,0]=3 4522 B14R0.597 CCCCN(C)C(=O)CNC(=O)OCC 527a_100000207549_100000190774 [0,1,0,0,0,1|1,0,0]=3 4523 B14R0.597 CCCCN(C)C(=O)NCC(=O)NCC 2708a_100016988866_100000207549 [0,1,0,0,0,1|2,0,0]=4 4524 B14R0.597 CCCCN(C)C(=O)NCC(=O)NCC 273464a_100016988866_100000207549 [0,1,0,0,0,1|2,0,0]=4 4525 B14R0.597 CCOC(=O)CCC(=O)N(C)CCCO 240690a_100000213112_100000183558 [0,1,0,0,0,1|2,0,0]=4 4526 B14R0.597 CCOC(=O)CCC(=O)N(C)CCOC 11a_100000743101_100000183558 [0,1,0,0,0,1|2,0,0]=4 4527 B14R0.597 CCOC(=O)CCC(=O)N(C)CCOC 1626a_100000743101_100000183558 [0,1,0,0,0,1|2,0,0]=4 4528 B14R0.597 CCOC(=O)CCC(=O)N(C)CCOC 240690a_100000743101_100000183558 [0,1,0,0,0,1|2,0,0]=4 4529 B14R0.597 CCOC(=O)CCC(=O)N(C)CCSC 11a_100000686725_100000183558 [0,1,0,0,0,1|2,0,0]=4 4530 B14R0.597 CCOC(=O)CCC(=O)N(C)CCSC 1626a_100000686725_100000183558 [0,1,0,0,0,1|2,0,0]=4 4531 B14R0.597 CCOC(=O)CCC(=O)N(C)CCSC 240690a_100000686725_100000183558 [0,1,0,0,0,1|2,0,0]=4 4532 B14R0.597 CCOC(=O)CNC(=O)C(O)CCSC 188690a_100000741813_100000685904 [0,1,0,0,0,1|2,0,0]=4 4533 B14R0.597 CCOC(=O)NCC(=O)N(C)CCCO 240690a_100000213112_100000190774 [0,1,0,0,0,1|2,0,0]=4 4534 B14R0.597 CCOC(=O)NCC(=O)N(C)CCCO 527a_100000213112_100000190774 [0,1,0,0,0,1|2,0,0]=4 4535 B14R0.597 CCOC(=O)NCC(=O)N(C)CCOC 11a_100000743101_100000190774 [0,1,0,0,0,1|2,0,0]=4 4536 B14R0.597 CCOC(=O)NCC(=O)N(C)CCOC 1626a_100000743101_100000190774 [0,1,0,0,0,1|2,0,0]=4 4537 B14R0.597 CCOC(=O)NCC(=O)N(C)CCOC 240690a_100000743101_100000190774 [0,1,0,0,0,1|2,0,0]=4 4538 B14R0.597 CCOC(=O)NCC(=O)N(C)CCOC 527a_100000743101_100000190774 [0,1,0,0,0,1|2,0,0]=4 4539 B14R0.597 CCOC(=O)NCC(=O)N(C)CCSC 11a_100000686725_100000190774 [0,1,0,0,0,1|2,0,0]=4 4540 B14R0.597 CCOC(=O)NCC(=O)N(C)CCSC 1626a_100000686725_100000190774 [0,1,0,0,0,1|2,0,0]=4 4541 B14R0.597 CCOC(=O)NCC(=O)N(C)CCSC 240690a_100000686725_100000190774 [0,1,0,0,0,1|2,0,0]=4 4542 B14R0.597 CCOC(=O)NCC(=O)N(C)CCSC 527a_100000686725_100000190774 [0,1,0,0,0,1|2,0,0]=4 4543 B14R0.1240 CCCC(=O)OCC(=O)CCC(C)CC 1458a_100000701222_100000034017 [0,1,0,0,0,1|2,0,0]=4 4544 B14R0.1240 CCNC(=O)CCC(=O)NCC(C)CC 11a_100020588543_100000199579 [0,1,0,0,0,1|2,0,0]=4 4545 B14R0.1240 CCNC(=O)CCC(=O)NCC(C)CC 1626a_100020588543_100000199579 [0,1,0,0,0,1|2,0,0]=4 4546 B14R0.1240 CCNC(=O)CCC(=O)NCC(C)CC 240690a_100020588543_100000199579 [0,1,0,0,0,1|2,0,0]=4 4547 B14R0.1240 CCNC(=O)CCC(=O)NCC(O)CC 11a_100011218483_100000199579 [0,1,0,0,0,1|2,0,0]=4 4548 B14R0.1240 CCNC(=O)CCC(=O)NCC(O)CC 240690a_100011218483_100000199579 [0,1,0,0,0,1|2,0,0]=4 4549 B14R0.1240 CCNC(=O)CNC(=O)CCC(C)CC 11a_100016988866_100000701222 [0,1,0,0,0,1|2,0,0]=4 4550 B14R0.1240 CCNC(=O)CNC(=O)CCC(C)CC 1626a_100016988866_100000701222 [0,1,0,0,0,1|2,0,0]=4 4551 B14R0.1240 CCNC(=O)CNC(=O)CCC(C)CC 240690a_100016988866_100000701222 [0,1,0,0,0,1|2,0,0]=4 4552 B14R0.1240 CCNC(=O)CNC(=O)CCC(C)CC 527a_100016988866_100000701222 [0,1,0,0,0,1|2,0,0]=4 4553 B14R0.1240 CCNC(=O)CNC(=O)CCC(O)CC 1626a_100016988866_203496584001 [0,1,0,0,0,1|2,0,0]=4 4554 B14R0.1240 CCNC(=O)CNC(=O)CCC(O)CC 240690a_100016988866_203496584001 [0,1,0,0,0,1|2,0,0]=4 4555 B14R0.1240 CCNC(=O)CNC(=O)NCC(C)CC 2708a_100016988866_100020588543 [0,1,0,0,0,1|2,0,0]=4 4556 B14R0.1240 CCNC(=O)CNC(=O)NCC(C)CC 2708a_100020588543_100016988866 [0,1,0,0,0,1|2,0,0]=4 4557 B14R0.1240 CCNC(=O)CNC(=O)NCC(C)CC 273464a_100016988866_100020588543 [0,1,0,0,0,1|2,0,0]=4 4558 B14R0.1240 CCNC(=O)CNC(=O)NCC(C)CC 273464a_100020588543_100016988866 [0,1,0,0,0,1|2,0,0]=4 4559 B14R0.1240 CCNC(=O)CNC(=O)NCC(C)CC 512a_100016988866_100020588543 [0,1,0,0,0,1|2,0,0]=4 4560 B14R0.1240 CCNC(=O)CNC(=O)NCC(C)CC 512a_100020588543_100016988866 [0,1,0,0,0,1|2,0,0]=4 4561 B14R0.1240 CCNC(=O)CNC(=O)NCC(O)CC 2708a_100016988866_100011218483 [0,1,0,0,0,1|2,0,0]=4 4562 B14R0.1240 CCNC(=O)CNC(=O)NCC(O)CC 273464a_100011218483_100016988866 [0,1,0,0,0,1|2,0,0]=4 4563 B14R0.1240 CCNC(=O)CNC(=O)NCC(O)CC 273464a_100016988866_100011218483 [0,1,0,0,0,1|2,0,0]=4 4564 B14R0.1240 CCNC(=O)CNC(=O)NCC(O)CC 512a_100011218483_100016988866 [0,1,0,0,0,1|2,0,0]=4 4565 B14R0.1240 CCOC(=O)C=CC(=O)NCC(C)CC 1626a_100020588543_100000210415 [0,1,0,0,0,1|1,0,1]=4 4566 B14R0.1240 CCOC(=O)C=CC(=O)NCC(C)CC 240690a_100020588543_100000210415 [0,1,0,0,0,1|1,0,1]=4 4567 B14R0.1240 CCOC(=O)C=CC(=O)NCC(O)CC 240690a_100011218483_100000210415 [0,1,0,0,0,1|1,0,1]=4 4568 B14R0.1240 CCOC(=O)CCC(=O)NCC(C)CC 11a_100020588543_100000183558 [0,1,0,0,0,1|1,0,0]=3 4569 B14R0.1240 CCOC(=O)CCC(=O)NCC(C)CC 1626a_100020588543_100000183558 [0,1,0,0,0,1|1,0,0]=3 4570 B14R0.1240 CCOC(=O)CCC(=O)NCC(C)CC 240690a_100020588543_100000183558 [0,1,0,0,0,1|1,0,0]=3 4571 B14R0.1240 CCOC(=O)CCC(=O)NCC(C)CO 240690a_100000744482_100000183558 [0,1,0,0,0,1|2,0,0]=4 4572 B14R0.1240 CCOC(=O)CCC(=O)NCC(O)CC 11a_100011218483_100000183558 [0,1,0,0,0,1|1,0,0]=3 4573 B14R0.1240 CCOC(=O)CCC(=O)NCC(O)CC 240690a_100011218483_100000183558 [0,1,0,0,0,1|1,0,0]=3 4574 B14R0.1240 CCOC(=O)CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000183558 [0,1,0,0,0,1|2,0,0]=4 4575 B14R0.1240 CCOC(=O)CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000183558 [0,1,0,0,0,1|2,0,0]=4 4576 B14R0.1240 CCOC(=O)CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000183558 [0,1,0,0,0,1|2,0,0]=4 4577 B14R0.1240 CCOC(=O)CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000183558 [0,1,0,0,0,1|2,0,0]=4 4578 B14R0.1240 CCOC(=O)CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000183558 [0,1,0,0,0,1|2,0,0]=4 4579 B14R0.1240 CCOC(=O)CCC(C)OC[C@@H](C)CC 7a_100009816381_100000748298 [0,1,0,0,0,1|1,0,1]=4 4580 B14R0.1240 CCOC(=O)CNC(=O)CCC(C)CC 188690a_100000741813_100000701222 [0,1,0,0,0,1|1,0,0]=3 4581 B14R0.1240 CCOC(=O)CNC(=O)CCC(O)CC 188690a_100000741813_203496584001 [0,1,0,0,0,1|1,0,0]=3 4582 B14R0.1240 CCOC(=O)CNC(=O)CCN(C)CC 188690a_100000741813_100000755305 [0,1,0,0,0,1|2,0,0]=4 4583 B14R0.1240 CCOC(=O)CNC(=O)CCS(=O)CC 188690a_100000741813_100011387550 [0,1,0,0,0,1|2,0,0]=4 4584 B14R0.1240 CCOC(=O)CNC(=O)CNC(C)CC 2230a_100000209981_100011215850 [0,1,0,0,0,1|2,0,0]=4 4585 B14R0.1240 CCOC(=O)CNC(=O)COC(C)CC 7a_100000210228_100011215850 [0,1,0,0,0,1|2,0,0]=4 4586 B14R0.1240 CCOC(=O)CNC(=O)CSC(C)CC 62a_100000758301_100011215850 [0,1,0,0,0,1|2,0,0]=4 4587 B14R0.1240 CCOC(=O)CNC(=O)CSC(C)CC 62a_100011215850_100000758301 [0,1,0,0,0,1|2,0,0]=4 4588 B14R0.1240 CCOC(=O)NCC(=O)NCC(C)CC 11a_100020588543_100000190774 [0,1,0,0,0,1|1,0,0]=3 4589 B14R0.1240 CCOC(=O)NCC(=O)NCC(C)CC 1626a_100020588543_100000190774 [0,1,0,0,0,1|1,0,0]=3 4590 B14R0.1240 CCOC(=O)NCC(=O)NCC(C)CC 240690a_100020588543_100000190774 [0,1,0,0,0,1|1,0,0]=3 4591 B14R0.1240 CCOC(=O)NCC(=O)NCC(C)CC 527a_100020588543_100000190774 [0,1,0,0,0,1|1,0,0]=3 4592 B14R0.1240 CCOC(=O)NCC(=O)NCC(C)CO 240690a_100000744482_100000190774 [0,1,0,0,0,1|2,0,0]=4 4593 B14R0.1240 CCOC(=O)NCC(=O)NCC(C)CO 527a_100000744482_100000190774 [0,1,0,0,0,1|2,0,0]=4 4594 B14R0.1240 CCOC(=O)NCC(=O)NCC(O)CC 11a_100011218483_100000190774 [0,1,0,0,0,1|1,0,0]=3 4595 B14R0.1240 CCOC(=O)NCC(=O)NCC(O)CC 240690a_100011218483_100000190774 [0,1,0,0,0,1|1,0,0]=3 4596 B14R0.1240 CCOC(=O)NCC(=O)NCC(O)CC 527a_100011218483_100000190774 [0,1,0,0,0,1|1,0,0]=3 4597 B14R0.1240 CCOC(=O)NCC(=O)NC[C@@H](C)OC 11a_100020591295_100000190774 [0,1,0,0,0,1|2,0,0]=4 4598 B14R0.1240 CCOC(=O)NCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000190774 [0,1,0,0,0,1|2,0,0]=4 4599 B14R0.1240 CCOC(=O)NCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000190774 [0,1,0,0,0,1|2,0,0]=4 4600 B14R0.1240 CCOC(=O)NCC(=O)NC[C@@H](C)OC 527a_100020591295_100000190774 [0,1,0,0,0,1|2,0,0]=4 4601 B14R0.1240 CCOC(=O)NCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000190774 [0,1,0,0,0,1|2,0,0]=4 4602 B14R0.1240 CCOC(=O)NCC(=O)NC[C@@H](F)CO 527a_100015665980_100000190774 [0,1,0,0,0,1|2,0,0]=4 4603 B14R0.1240 CCOC(=O)NCC(=O)NC[C@H](O)CO 240690a_100020644852_100000190774 [0,1,0,0,0,1|2,0,0]=4 4604 B14R0.1240 CCOC(=O)NCC(=O)NC[C@H](O)CO 527a_100020644852_100000190774 [0,1,0,0,0,1|2,0,0]=4 4605 B14R0.1240 CCOC(=O)NCC(=O)NNC(C)CC 22a_100000718999_100000190774 [0,1,0,0,0,1|2,0,0]=4 4606 B14R0.2424 C=C(CC(=O)OCC)C(=O)NCCCC 1626a_100000102301_200000043866 [0,1,0,0,0,1|1,0,0]=3 4607 B14R0.2424 C=C(CC(=O)OCC)C(=O)NCCCF 1626a_100015189416_200000043866 [0,1,0,0,0,1|2,0,0]=4 4608 B14R0.2424 C=C(CC(=O)OCC)C(=O)NCCOC 1626a_100000209980_200000043866 [0,1,0,0,0,1|2,0,0]=4 4609 B14R0.2424 C=C(CC(=O)OCC)C(=O)NCCSC 1626a_100020590264_200000043866 [0,1,0,0,0,1|2,0,0]=4 4610 B14R0.2424 CCCC#CC(=O)C(C)CC(=O)OCC 1458a_200011218047_100009817359 [0,1,0,0,0,1|1,0,1]=4 4611 B14R0.2424 CCCC#CC(=O)N(C)CC(=O)OCC 240690a_100000220588_200011218047 [0,1,0,0,0,1|1,0,1]=4 4612 B14R0.2424 CCCC=CC(=O)C(C)CC(=O)OCC 1458a_100000212230_100009817359 [0,1,0,0,0,1|1,0,1]=4 4613 B14R0.2424 CCCC=CC(=O)N(C)CC(=O)OCC 11a_100000220588_100000212230 [0,1,0,0,0,1|1,0,1]=4 4614 B14R0.2424 CCCC=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000212230 [0,1,0,0,0,1|1,0,1]=4 4615 B14R0.2424 CCCC=CC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000212230 [0,1,0,0,0,1|1,0,1]=4 4616 B14R0.2424 CCCCCC(=O)C(C)CC(=O)OCC 1458a_100000212188_100009817359 [0,1,0,0,0,1|1,0,0]=3 4617 B14R0.2424 CCCCCC(=O)C(C)NC(=O)CCC 1458a_100000205598_100000210326 [0,1,0,0,0,1|2,0,0]=4 4618 B14R0.2424 CCCCCC(=O)N(C)CC(=O)NCC 11a_100000741943_100000212188 [0,1,0,0,0,1|2,0,0]=4 4619 B14R0.2424 CCCCCC(=O)N(C)CC(=O)NCC 1626a_100000741943_100000212188 [0,1,0,0,0,1|2,0,0]=4 4620 B14R0.2424 CCCCCC(=O)N(C)CC(=O)NCC 240690a_100000741943_100000212188 [0,1,0,0,0,1|2,0,0]=4 4621 B14R0.2424 CCCCCC(=O)N(C)CC(=O)NCC 527a_100000741943_100000212188 [0,1,0,0,0,1|2,0,0]=4 4622 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000212188 [0,1,0,0,0,1|1,0,0]=3 4623 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000212188 [0,1,0,0,0,1|1,0,0]=3 4624 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000212188 [0,1,0,0,0,1|1,0,0]=3 4625 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000212188 [0,1,0,0,0,1|1,0,0]=3 4626 B14R0.2424 CCCCNC(=O)C(C)NC(=O)CCC 11a_100000102301_100000205598 [0,1,0,0,0,1|2,0,0]=4 4627 B14R0.2424 CCCCNC(=O)C(C)NC(=O)CCC 1626a_100000102301_100000205598 [0,1,0,0,0,1|2,0,0]=4 4628 B14R0.2424 CCCCNC(=O)C(C)NC(=O)CCC 240690a_100000102301_100000205598 [0,1,0,0,0,1|2,0,0]=4 4629 B14R0.2424 CCCCNC(=O)C(C)NC(=O)CCC 527a_100000102301_100000205598 [0,1,0,0,0,1|2,0,0]=4 4630 B14R0.2424 CCCCNC(=O)N(C)CC(=O)NCC 2708a_100000102301_100000741943 [0,1,0,0,0,1|2,0,0]=4 4631 B14R0.2424 CCCCNC(=O)N(C)CC(=O)NCC 273464a_100000102301_100000741943 [0,1,0,0,0,1|2,0,0]=4 4632 B14R0.2424 CCCOCC(=O)C(C)CC(=O)OCC 1458a_100000745993_100009817359 [0,1,0,0,0,1|2,0,0]=4 4633 B14R0.2424 CCCOCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000745993 [0,1,0,0,0,1|2,0,0]=4 4634 B14R0.2424 CCCOCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000745993 [0,1,0,0,0,1|2,0,0]=4 4635 B14R0.2424 CCCOCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000745993 [0,1,0,0,0,1|2,0,0]=4 4636 B14R0.2424 CCCOCC(=O)N(C)CC(=O)OCC 34a_100000210258_100000754419 [0,1,0,0,0,1|2,0,0]=4 4637 B14R0.2424 CCCOCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000745993 [0,1,0,0,0,1|2,0,0]=4 4638 B14R0.2424 CCCSCC(=O)C(C)CC(=O)OCC 1458a_100000217233_100009817359 [0,1,0,0,0,1|2,0,0]=4 4639 B14R0.2424 CCCSCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000217233 [0,1,0,0,0,1|2,0,0]=4 4640 B14R0.2424 CCCSCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000217233 [0,1,0,0,0,1|2,0,0]=4 4641 B14R0.2424 CCCSCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000217233 [0,1,0,0,0,1|2,0,0]=4 4642 B14R0.2424 CCCSCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000217233 [0,1,0,0,0,1|2,0,0]=4 4643 B14R0.2424 CCCSCC(=O)N(C)CC(=O)OCC 62a_100000754419_100000210303 [0,1,0,0,0,1|2,0,0]=4 4644 B14R0.2424 CCOC(=O)CC(C)C(=O)CCCCO 1458a_100000695505_100009817359 [0,1,0,0,0,1|2,0,0]=4 4645 B14R0.2424 CCOC(=O)CC(C)C(=O)CCCOC 1458a_100000741012_100009817359 [0,1,0,0,0,1|2,0,0]=4 4646 B14R0.2424 CCOC(=O)CC(C)C(=O)CCCSC 1458a_100000173376_100009817359 [0,1,0,0,0,1|2,0,0]=4 4647 B14R0.2424 CCOC(=O)CC(C)C(=O)CCSCC 1458a_100000230768_100009817359 [0,1,0,0,0,1|2,0,0]=4 4648 B14R0.2424 CCOC(=O)CN(C)C(=O)CCCCO 1626a_100000220588_100000695505 [0,1,0,0,0,1|2,0,0]=4 4649 B14R0.2424 CCOC(=O)CN(C)C(=O)CCCOC 11a_100000220588_100000741012 [0,1,0,0,0,1|2,0,0]=4 4650 B14R0.2424 CCOC(=O)CN(C)C(=O)CCCOC 1626a_100000220588_100000741012 [0,1,0,0,0,1|2,0,0]=4 4651 B14R0.2424 CCOC(=O)CN(C)C(=O)CCCOC 240690a_100000220588_100000741012 [0,1,0,0,0,1|2,0,0]=4 4652 B14R0.2424 CCOC(=O)CN(C)C(=O)CCCOC 527a_100000220588_100000741012 [0,1,0,0,0,1|2,0,0]=4 4653 B14R0.2424 CCOC(=O)CN(C)C(=O)CCCSC 11a_100000220588_100000173376 [0,1,0,0,0,1|2,0,0]=4 4654 B14R0.2424 CCOC(=O)CN(C)C(=O)CCCSC 1626a_100000220588_100000173376 [0,1,0,0,0,1|2,0,0]=4 4655 B14R0.2424 CCOC(=O)CN(C)C(=O)CCCSC 240690a_100000220588_100000173376 [0,1,0,0,0,1|2,0,0]=4 4656 B14R0.2424 CCOC(=O)CN(C)C(=O)CCCSC 527a_100000220588_100000173376 [0,1,0,0,0,1|2,0,0]=4 4657 B14R0.2424 CCOC(=O)CN(C)C(=O)CCSCC 11a_100000220588_100000230768 [0,1,0,0,0,1|2,0,0]=4 4658 B14R0.2424 CCOC(=O)CN(C)C(=O)CCSCC 1626a_100000220588_100000230768 [0,1,0,0,0,1|2,0,0]=4 4659 B14R0.2424 CCOC(=O)CN(C)C(=O)CCSCC 240690a_100000220588_100000230768 [0,1,0,0,0,1|2,0,0]=4 4660 B14R0.2424 CCOC(=O)CN(C)C(=O)CCSCC 527a_100000220588_100000230768 [0,1,0,0,0,1|2,0,0]=4 4661 B14R0.2424 CCOCCC(=O)C(C)CC(=O)OCC 1458a_100000749530_100009817359 [0,1,0,0,0,1|2,0,0]=4 4662 B14R0.2424 CCOCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000749530 [0,1,0,0,0,1|2,0,0]=4 4663 B14R0.2424 CCOCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000749530 [0,1,0,0,0,1|2,0,0]=4 4664 B14R0.2424 CCOCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000749530 [0,1,0,0,0,1|2,0,0]=4 4665 B14R0.2424 CCOCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000749530 [0,1,0,0,0,1|2,0,0]=4 4666 B14R0.36 CCOC(=O)CC(=O)C(=O)NC(C)CC 1458a_200011297154_100000188475 [0,2,0,0,0,0|2,0,0]=4 4667 B14R0.36 CCOC(=O)CC(=O)C(C)CN(C)CC 1458a_200015185930_100000188475 [0,2,0,0,0,0|2,0,0]=4 4668 B14R0.36 CCOC(=O)CC(=O)C(C)SC(C)CC 62a_100000758301_100010090504 [0,2,0,0,0,0|2,0,0]=4 4669 B14R0.36 CCOC(=O)CC(=O)C(C)SC(C)CC 62a_100010090504_100000758301 [0,2,0,0,0,0|2,0,0]=4 4670 B14R0.36 CCOC(=O)CC(=O)N(C)CC(C)CC 240690a_100000753921_100000243816 [0,2,0,0,0,0|1,0,0]=3 4671 B14R0.36 CCOC(=O)CC(=O)N(C)CC(O)CO 240690a_100011216503_100000243816 [0,2,0,0,0,0|2,0,0]=4 4672 B14R0.44 CCC/C=C(\C)/C(=O)CC(=O)OC(C)C 1458a_200020648666_100011215430 [0,2,0,0,0,0|1,0,1]=4 4673 B14R0.44 CCCCC(C)C(=O)CC(=O)NC(C)C 1458a_100000725509_100000183996 [0,2,0,0,0,0|2,0,0]=4 4674 B14R0.44 CCCCC(C)C(=O)CC(=O)OC(C)C 1458a_100000725509_100011215430 [0,2,0,0,0,0|1,0,0]=3 4675 B14R0.44 CCCCC(O)C(=O)CC(=O)NC(C)C 1458a_100000720857_100000183996 [0,2,0,0,0,0|2,0,0]=4 4676 B14R0.44 CCCCC(O)C(=O)CC(=O)OC(C)C 1458a_100000720857_100011215430 [0,2,0,0,0,0|1,0,0]=3 4677 B14R0.44 CCCCN(C)C(=O)CC(=O)CC(C)C 1458a_100000210554_100000230175 [0,2,0,0,0,0|2,0,0]=4 4678 B14R0.44 CCCCN(C)C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000230175 [0,2,0,0,0,0|2,0,0]=4 4679 B14R0.44 CCCNC(=O)C(=O)CC(=O)OC(C)C 1458a_200011297150_100011215430 [0,2,0,0,0,0|2,0,0]=4 4680 B14R0.44 CSCCC(O)C(=O)CC(=O)OC(C)C 1458a_100000685904_100011215430 [0,2,0,0,0,0|2,0,0]=4 4681 B14R0.47 CCC/C=C(\C)/C(=O)C(C)C(=O)OCC 1458a_200020648666_100011216346 [0,2,0,0,0,0|1,0,1]=4 4682 B14R0.47 CCC/C=C(\C)/C(=O)C(F)C(=O)OCC 1458a_200020648666_100000760018 [0,2,0,0,0,0|1,0,1]=4 4683 B14R0.47 CCCCC(C)C(=O)C(C)C(=O)NCC 1458a_100000725509_100000230173 [0,2,0,0,0,0|2,0,0]=4 4684 B14R0.47 CCCCC(C)C(=O)C(C)C(=O)OCC 1458a_100000725509_100011216346 [0,2,0,0,0,0|1,0,0]=3 4685 B14R0.47 CCCCC(C)C(=O)C(C)C(=O)OCC 1458a_100132301724_200011215066 [0,2,0,0,0,0|1,0,0]=3 4686 B14R0.47 CCCCC(C)C(=O)C(F)C(=O)OCC 1458a_100000725509_100000760018 [0,2,0,0,0,0|1,0,0]=3 4687 B14R0.47 CCCCC(O)C(=O)C(C)C(=O)NCC 1458a_100000720857_100000230173 [0,2,0,0,0,0|2,0,0]=4 4688 B14R0.47 CCCCC(O)C(=O)C(C)C(=O)OCC 1458a_100000720857_100011216346 [0,2,0,0,0,0|1,0,0]=3 4689 B14R0.47 CCCCC(O)C(=O)C(F)C(=O)OCC 1458a_100000720857_100000760018 [0,2,0,0,0,0|1,0,0]=3 4690 B14R0.47 CCCCN(C)C(=O)C(C)C(=O)OCC 11a_100000207549_100132301724 [0,2,0,0,0,0|1,0,0]=3 4691 B14R0.47 CCCCN(C)C(=O)C(C)C(=O)OCC 1626a_100000207549_100132301724 [0,2,0,0,0,0|1,0,0]=3 4692 B14R0.47 CCCCN(C)C(=O)C(C)C(=O)OCC 240690a_100000207549_100132301724 [0,2,0,0,0,0|1,0,0]=3 4693 B14R0.47 CCCCN(C)C(=O)C(C)C(=O)OCC 527a_100000207549_100132301724 [0,2,0,0,0,0|1,0,0]=3 4694 B14R0.47 CCCNC(=O)C(=O)C(C)C(=O)OCC 1458a_200011297150_100011216346 [0,2,0,0,0,0|2,0,0]=4 4695 B14R0.47 CCCNC(=O)C(=O)C(F)C(=O)OCC 1458a_200011297150_100000760018 [0,2,0,0,0,0|2,0,0]=4 4696 B14R0.47 CCOC(=O)C(C)C(=O)C(O)CCSC 1458a_100000685904_100011216346 [0,2,0,0,0,0|2,0,0]=4 4697 B14R0.47 CCOC(=O)C(C)C(=O)N(C)CCCO 240690a_100000213112_100132301724 [0,2,0,0,0,0|2,0,0]=4 4698 B14R0.47 CCOC(=O)C(C)C(=O)N(C)CCCO 527a_100000213112_100132301724 [0,2,0,0,0,0|2,0,0]=4 4699 B14R0.47 CCOC(=O)C(C)C(=O)N(C)CCOC 11a_100000743101_100132301724 [0,2,0,0,0,0|2,0,0]=4 4700 B14R0.47 CCOC(=O)C(C)C(=O)N(C)CCOC 1626a_100000743101_100132301724 [0,2,0,0,0,0|2,0,0]=4 4701 B14R0.47 CCOC(=O)C(C)C(=O)N(C)CCOC 240690a_100000743101_100132301724 [0,2,0,0,0,0|2,0,0]=4 4702 B14R0.47 CCOC(=O)C(C)C(=O)N(C)CCOC 527a_100000743101_100132301724 [0,2,0,0,0,0|2,0,0]=4 4703 B14R0.47 CCOC(=O)C(C)C(=O)N(C)CCSC 11a_100000686725_100132301724 [0,2,0,0,0,0|2,0,0]=4 4704 B14R0.47 CCOC(=O)C(C)C(=O)N(C)CCSC 1626a_100000686725_100132301724 [0,2,0,0,0,0|2,0,0]=4 4705 B14R0.47 CCOC(=O)C(C)C(=O)N(C)CCSC 240690a_100000686725_100132301724 [0,2,0,0,0,0|2,0,0]=4 4706 B14R0.47 CCOC(=O)C(C)C(=O)N(C)CCSC 527a_100000686725_100132301724 [0,2,0,0,0,0|2,0,0]=4 4707 B14R0.47 CCOC(=O)C(F)C(=O)C(O)CCSC 1458a_100000685904_100000760018 [0,2,0,0,0,0|2,0,0]=4 4708 B14R0.58 CCCCC(C)C(=O)CC(=O)N(C)CC 1458a_100000725509_100011894763 [0,2,0,0,0,0|2,0,0]=4 4709 B14R0.58 CCCCC(O)C(=O)CC(=O)N(C)CC 1458a_100000720857_100011894763 [0,2,0,0,0,0|2,0,0]=4 4710 B14R0.58 CCCCN(C)C(=O)CC(=O)C(C)CC 1458a_100011192722_100000230175 [0,2,0,0,0,0|2,0,0]=4 4711 B14R0.58 CCCCN(C)C(=O)CC(=O)C(O)CC 1458a_100011196387_100000230175 [0,2,0,0,0,0|2,0,0]=4 4712 B14R0.1172 CCOC(=O)CC(=O)C(=O)NCC(C)C 1458a_200011297155_100000188475 [0,2,0,0,0,0|2,0,0]=4 4713 B14R0.1172 CCOC(=O)CC(=O)C(C)CCC(C)C 1458a_100000243816_100011261404 [0,2,0,0,0,0|1,0,0]=3 4714 B14R0.1172 CCOC(=O)CC(=O)C(C)SCC(C)C 62a_100000210624_100010090504 [0,2,0,0,0,0|2,0,0]=4 4715 B14R0.1172 CCOC(=O)CC(=O)C(C)SCC(C)C 62a_100010090504_100000210760 [0,2,0,0,0,0|2,0,0]=4 4716 B14R0.1172 CCOC(=O)CC(=O)C(C)SCC(C)O 62a_100010090504_100011218427 [0,2,0,0,0,0|2,0,0]=4 4717 B14R0.1172 CCOC(=O)CC(=O)C(C)SCC(C)O 62a_100011218427_100010090504 [0,2,0,0,0,0|2,0,0]=4 4718 B14R0.1172 CCOC(=O)CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100010090504 [0,2,0,0,0,0|2,0,0]=4 4719 B14R0.1172 CCOC(=O)CC(=O)C(C)SC[C@@H](C)O 62a_100010090504_100009817552 [0,2,0,0,0,0|2,0,0]=4 4720 B14R0.1172 CCOC(=O)CC(=O)N(C)CCC(C)C 240690a_100000742789_100000243816 [0,2,0,0,0,0|1,0,0]=3 4721 B14R0.1172 CCOC(=O)CC(=O)N(C)CCN(C)C 240690a_100000225618_100000243816 [0,2,0,0,0,0|2,0,0]=4 4722 B14R0.1299 C=C(CC(=O)C(C)CCCC)OCOC 1458a_100000725509_100000042856 [0,2,0,0,0,0|2,0,0]=4 4723 B14R0.1299 C=C(CC(=O)C(O)CCCC)OCOC 1458a_100000720857_100000042856 [0,2,0,0,0,0|2,0,0]=4 4724 B14R0.1299 C=CCOC(=O)CC(=O)C(C)CCCC 1458a_100000725509_100000033060 [0,2,0,0,0,0|1,0,1]=4 4725 B14R0.1299 C=CCOC(=O)CC(=O)C(O)CCCC 1458a_100000720857_100000033060 [0,2,0,0,0,0|1,0,1]=4 4726 B14R0.1299 CCC#CC(=O)CC(=O)N(C)CCCC 1458a_100011827653_100000230175 [0,2,0,0,0,0|2,0,0]=4 4727 B14R0.1299 CCC/C=C(\C)/C(=O)CC(=O)OCCC 1458a_200020648666_200011215008 [0,2,0,0,0,0|1,0,1]=4 4728 B14R0.1299 CCC=CC(=O)CC(=O)N(C)CCCC 1458a_100000212282_100000230175 [0,2,0,0,0,0|2,0,0]=4 4729 B14R0.1299 CCCCC(=O)CC(=O)N(C)CCCC 1458a_100000210183_100000230175 [0,2,0,0,0,0|2,0,0]=4 4730 B14R0.1299 CCCCC(C)C(=O)CC(=O)NCCC 1458a_100000725509_100000183358 [0,2,0,0,0,0|2,0,0]=4 4731 B14R0.1299 CCCCC(C)C(=O)CC(=O)OCCC 1458a_100000725509_200011215008 [0,2,0,0,0,0|1,0,0]=3 4732 B14R0.1299 CCCCC(O)C(=O)CC(=O)NCCC 1458a_100000720857_100000183358 [0,2,0,0,0,0|2,0,0]=4 4733 B14R0.1299 CCCCC(O)C(=O)CC(=O)OCCC 1458a_100000720857_200011215008 [0,2,0,0,0,0|1,0,0]=3 4734 B14R0.1299 CCCCN(C)C(=O)CC(=O)CCOC 1458a_100000749529_100000230175 [0,2,0,0,0,0|2,0,0]=4 4735 B14R0.1299 CCCCN(C)C(=O)CC(=O)CCSC 1458a_100000174002_100000230175 [0,2,0,0,0,0|2,0,0]=4 4736 B14R0.1299 CCCCN(C)C(=O)CC(=O)COCC 1458a_100000211967_100000230175 [0,2,0,0,0,0|1,0,0]=3 4737 B14R0.1299 CCCCN(C)C(=O)CC(=O)CSCC 1458a_100000230394_100000230175 [0,2,0,0,0,0|1,1,0]=4 4738 B14R0.1299 CCCNC(=O)C(=O)CC(=O)OCCC 1458a_200011297150_200011215008 [0,2,0,0,0,0|2,0,0]=4 4739 B14R0.1299 CCCOC(=O)CC(=O)C(O)CCSC 1458a_100000685904_200011215008 [0,2,0,0,0,0|2,0,0]=4 4740 B14R0.1329 CCCCN(C)S(=O)(=O)CC(=O)OCC 270084a_100000207549_100000738689 [0,2,0,0,0,0|2,0,0]=4 4741 B14R0.1329 CCCCN(C)S(=O)(=O)CC(=O)OCC 274078a_100000207549_100000738689 [0,2,0,0,0,0|2,0,0]=4 4742 B14R0.2263 CCCCC(CC)C(=O)CC(=O)CCC 1458a_100000211130_100000747444 [0,2,0,0,0,0|2,0,0]=4 4743 B14R0.2263 CCCCC(CC)C(=O)CC(=O)NCC 1458a_100000211130_100000183381 [0,2,0,0,0,0|2,0,0]=4 4744 B14R0.2263 CCCCC(CC)C(=O)CC(=O)OCC 1458a_100000211130_100000188475 [0,2,0,0,0,0|1,0,0]=3 4745 B14R0.2263 CCCCC(CC)C(=O)CC(=O)OCC 1458a_100000243816_200011216223 [0,2,0,0,0,0|1,0,0]=3 4746 B14R0.2263 CCCCN(CC)C(=O)CC(=O)CCC 1458a_100000211992_100000230192 [0,2,0,0,0,0|2,0,0]=4 4747 B14R0.2263 CCCCN(CC)C(=O)CC(=O)OCC 240690a_100000207695_100000243816 [0,2,0,0,0,0|1,0,0]=3 4748 B14R0.2263 CCOC(=O)CC(=O)N(CC)CCOC 240690a_100000731262_100000243816 [0,2,0,0,0,0|2,0,0]=4 4749 B14R0.2864 C=C(CCC)CC(=O)C(C)C(=O)OCC 1458a_100000138376_100011216346 [0,2,0,0,0,0|1,0,1]=4 4750 B14R0.2864 C=C(CCC)CC(=O)C(F)C(=O)OCC 1458a_100000138376_100000760018 [0,2,0,0,0,0|1,0,1]=4 4751 B14R0.2864 CCCC(=CC(=O)C(C)C(=O)OCC)C 1458a_100020676950_100011216346 [0,2,0,0,0,0|1,0,1]=4 4752 B14R0.2864 CCCC(=CC(=O)C(F)C(=O)OCC)C 1458a_100020676950_100000760018 [0,2,0,0,0,0|1,0,1]=4 4753 B14R0.2864 CCCC(=O)C(C)C(=O)CC(=O)OCC 1458a_100000211992_100010090504 [0,2,0,0,0,0|1,0,1]=4 4754 B14R0.2864 CCCC(=O)C(C)C(=O)NC(C)CCC 1458a_100000211992_100000735934 [0,2,0,0,0,0|2,0,0]=4 4755 B14R0.2864 CCCC(=O)CC(=O)C(C)C(=O)OCC 1458a_100132301724_100000747444 [0,2,0,0,0,0|1,0,1]=4 4756 B14R0.2864 CCCC(C)CC(=O)C(C)C(=O)NCC 1458a_100000748435_100000230173 [0,2,0,0,0,0|2,0,0]=4 4757 B14R0.2864 CCCC(C)CC(=O)C(C)C(=O)OCC 1458a_100000748435_100011216346 [0,2,0,0,0,0|1,0,0]=3 4758 B14R0.2864 CCCC(C)CC(=O)C(C)C(=O)OCC 1458a_100132301724_100011216630 [0,2,0,0,0,0|1,0,0]=3 4759 B14R0.2864 CCCC(C)CC(=O)C(F)C(=O)OCC 1458a_100000748435_100000760018 [0,2,0,0,0,0|1,0,0]=3 4760 B14R0.2864 CCCC(C)NC(=O)C(C)C(=O)OCC 11a_100000741246_100132301724 [0,2,0,0,0,0|1,0,0]=3 4761 B14R0.2864 CCCC(C)NC(=O)C(C)C(=O)OCC 1626a_100000741246_100132301724 [0,2,0,0,0,0|1,0,0]=3 4762 B14R0.2864 CCCC(C)NC(=O)C(C)C(=O)OCC 240690a_100000741246_100132301724 [0,2,0,0,0,0|1,0,0]=3 4763 B14R0.2864 CCCC(C)NC(=O)C(C)C(=O)OCC 527a_100000741246_100132301724 [0,2,0,0,0,0|1,0,0]=3 4764 B14R0.2864 CCCN(C)C(C)C(=O)CC(=O)OCC 269982a_100000747261_100010090504 [0,2,0,0,0,0|2,0,0]=4 4765 B14R0.2864 CCCS(=O)CC(=O)C(C)C(=O)OCC 1458a_100011387404_100011216346 [0,2,0,0,0,0|2,0,0]=4 4766 B14R0.2864 CCCS(=O)CC(=O)C(F)C(=O)OCC 1458a_100011387404_100000760018 [0,2,0,0,0,0|2,0,0]=4 4767 B14R0.2864 CCOC(=O)C(C)C(=O)CC(C)SCC 1458a_200011311441_100011216346 [0,2,0,0,0,0|2,0,0]=4 4768 B14R0.2864 CCOC(=O)C(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100132301724 [0,2,0,0,0,0|2,0,0]=4 4769 B14R0.2864 CCOC(=O)C(C)C(=O)N[C@H](C)CCO 527a_100000706166_100132301724 [0,2,0,0,0,0|2,0,0]=4 4770 B14R0.2864 CCOC(=O)C(C)C(=O)N[C@H](C)COC 11a_100000764878_100132301724 [0,2,0,0,0,0|2,0,0]=4 4771 B14R0.2864 CCOC(=O)C(C)C(=O)N[C@H](C)COC 1626a_100000764878_100132301724 [0,2,0,0,0,0|2,0,0]=4 4772 B14R0.2864 CCOC(=O)C(C)C(=O)N[C@H](C)COC 240690a_100000764878_100132301724 [0,2,0,0,0,0|2,0,0]=4 4773 B14R0.2864 CCOC(=O)C(C)C(=O)N[C@H](C)COC 527a_100000764878_100132301724 [0,2,0,0,0,0|2,0,0]=4 4774 B14R0.2864 CCOC(=O)C(F)C(=O)CC(C)SCC 1458a_200011311441_100000760018 [0,2,0,0,0,0|2,0,0]=4 4775 B14R0.2864 CCOC(=O)CC(=O)N(C)C(C)CCO 240690a_100000731037_100000243816 [0,2,0,0,0,0|2,0,0]=4 4776 B14R0.3544 CCCCC(C)(C)C(=O)CC(=O)CCC 1458a_100011216040_100000747444 [0,2,0,0,0,0|2,0,0]=4 4777 B14R0.3544 CCCCC(C)(C)C(=O)CC(=O)NCC 1458a_100011216040_100000183381 [0,2,0,0,0,0|2,0,0]=4 4778 B14R0.3544 CCCCC(C)(C)C(=O)CC(=O)OCC 1458a_100011216040_100000188475 [0,2,0,0,0,0|1,0,0]=3 4779 B14R0.3544 CCCCC(C)(O)C(=O)CC(=O)CCC 1458a_100000137666_100000747444 [0,2,0,0,0,0|2,0,0]=4 4780 B14R0.3544 CCCCC(C)(O)C(=O)CC(=O)NCC 1458a_100000137666_100000183381 [0,2,0,0,0,0|2,0,0]=4 4781 B14R0.3544 CCCCC(C)(O)C(=O)CC(=O)OCC 1458a_100000137666_100000188475 [0,2,0,0,0,0|1,0,0]=3 4782 B14R0.3544 CCCCC(F)(F)C(=O)CC(=O)CCC 1458a_100000100317_100000747444 [0,2,0,0,0,0|2,0,0]=4 4783 B14R0.3544 CCCCC(F)(F)C(=O)CC(=O)NCC 1458a_100000100317_100000183381 [0,2,0,0,0,0|2,0,0]=4 4784 B14R0.3544 CCCCC(F)(F)C(=O)CC(=O)OCC 1458a_100000100317_100000188475 [0,2,0,0,0,0|1,0,0]=3 4785 B14R0.154 C=C(CC(=O)CC(C)CCC)OCOC 1458a_100000748435_100000042856 [0,2,0,0,0,0|2,0,0]=4 4786 B14R0.154 C=C(CCC)CC(=O)CC(=O)OCCC 1458a_100000138376_200011215008 [0,2,0,0,0,0|1,0,1]=4 4787 B14R0.154 C=CCOC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000033060 [0,2,0,0,0,0|1,0,1]=4 4788 B14R0.154 CCCCC(=O)CC(=O)NC(=O)OCC 1458a_100000210183_100000010344 [0,2,0,0,0,0|2,0,0]=4 4789 B14R0.154 CCCCC(C)NC(=O)CC(=O)OCC 240690a_100000126638_100000243816 [0,2,0,0,0,0|1,0,0]=3 4790 B14R0.154 CCCCC(C)OC(C)CC(=O)OCC 7a_100000687866_100009817359 [0,2,0,0,0,0|1,0,1]=4 4791 B14R0.154 CCCCC(C)O[C@H](C)CC(=O)OCC 7a_100009816390_200011215066 [0,2,0,0,0,0|1,0,1]=4 4792 B14R0.154 CCCCN(C)CC(=O)CC(=O)OCC 269982a_100000207549_100000210311 [0,2,0,0,0,0|1,0,0]=3 4793 B14R0.154 CCCCN(C)CC(=O)NC(=O)OCC 269982a_100000207549_100000010344 [0,2,0,0,0,0|2,0,0]=4 4794 B14R0.154 CCCNC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000183358 [0,2,0,0,0,0|1,0,1]=4 4795 B14R0.154 CCCNC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000183358 [0,2,0,0,0,0|2,0,0]=4 4796 B14R0.154 CCCOC(=O)CC(=O)C=C(C)CCC 1458a_100020676950_200011215008 [0,2,0,0,0,0|1,0,1]=4 4797 B14R0.154 CCCOC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_200011215008 [0,2,0,0,0,0|1,0,1]=4 4798 B14R0.154 CCCOC(=O)CC(=O)CC(C)CCC 1458a_100000748435_200011215008 [0,2,0,0,0,0|1,0,0]=3 4799 B14R0.154 CCCOC(=O)CC(=O)CC(C)SCC 1458a_200011311441_200011215008 [0,2,0,0,0,0|2,0,0]=4 4800 B14R0.154 CCCOC(=O)CC(=O)CS(=O)CCC 1458a_100011387404_200011215008 [0,2,0,0,0,0|2,0,0]=4 4801 B14R0.154 CCOC(=O)CC(=O)CN(C)CCCO 269982a_100000213112_100000210311 [0,2,0,0,0,0|2,0,0]=4 4802 B14R0.154 CCOC(=O)CC(=O)CN(C)CCOC 269982a_100000743101_100000210311 [0,2,0,0,0,0|2,0,0]=4 4803 B14R0.154 CCOC(=O)CC(=O)CN(C)CCSC 269982a_100000686725_100000210311 [0,2,0,0,0,0|2,0,0]=4 4804 B14R0.154 CCOC(=O)CC(C)OC(C)CCCCl 7a_200000718107_100009817359 [0,2,0,0,0,0|1,0,1]=4 4805 B14R0.154 CCOCC(C)OC(C)CC(=O)OCC 7a_100000718985_100009817359 [0,2,0,0,0,0|1,0,1]=4 4806 B14R0.390 C=C(CCC)CC(=O)CC(=O)OC(C)C 1458a_100000138376_100011215430 [0,2,0,0,0,0|1,0,1]=4 4807 B14R0.390 CCCC(=CC(=O)CC(=O)OC(C)C)C 1458a_100020676950_100011215430 [0,2,0,0,0,0|1,0,1]=4 4808 B14R0.390 CCCC(C)CC(=O)CC(=O)NC(C)C 1458a_100000748435_100000183996 [0,2,0,0,0,0|2,0,0]=4 4809 B14R0.390 CCCC(C)CC(=O)CC(=O)OC(C)C 1458a_100000748435_100011215430 [0,2,0,0,0,0|1,0,0]=3 4810 B14R0.390 CCCS(=O)CC(=O)CC(=O)OC(C)C 1458a_100011387404_100011215430 [0,2,0,0,0,0|2,0,0]=4 4811 B14R0.390 CCOC(=O)CC(=O)CN(C)CC(C)C 269982a_100000747067_100000210311 [0,2,0,0,0,0|2,0,0]=4 4812 B14R0.390 CCOC(=O)CC(=O)CN(C)CC(C)O 269982a_100000227577_100000210311 [0,2,0,0,0,0|2,0,0]=4 4813 B14R0.390 CCOC(=O)CC(=O)NC(C)CC(C)C 240690a_100000692259_100000243816 [0,2,0,0,0,0|1,0,0]=3 4814 B14R0.390 CCOC(=O)CC(=O)NC(C)CN(C)C 240690a_100016992788_100000243816 [0,2,0,0,0,0|2,0,0]=4 4815 B14R0.390 CCOC(=O)CC(C)OC(C)CC(C)C 7a_100000211805_100009817359 [0,2,0,0,0,0|1,0,1]=4 4816 B14R0.390 CCOC(=O)C[C@@H](C)OC(C)CC(C)C 7a_100009816390_100000731052 [0,2,0,0,0,0|1,0,1]=4 4817 B14R0.390 CCSC(C)CC(=O)CC(=O)OC(C)C 1458a_200011311441_100011215430 [0,2,0,0,0,0|2,0,0]=4 4818 B14R0.707 CCCC(C)O[C@H](CCl)CC(=O)OCC 7a_100000688340_100000766640 [0,2,0,0,0,0|1,0,1]=4 4819 B14R0.722 CCCC(C)NS(=O)(=O)CC(=O)OCC 270084a_100000741246_100000738689 [0,2,0,0,0,0|2,0,0]=4 4820 B14R0.722 CCCC(C)NS(=O)(=O)CC(=O)OCC 274078a_100000741246_100000738689 [0,2,0,0,0,0|2,0,0]=4 4821 B14R0.722 CCCC(C)OC(C)(C)CC(=O)OCC 7a_100000765344_100000766640 [0,2,0,0,0,0|1,0,1]=4 4822 B14R0.1230 CCCC(=O)CC(=O)CC(C)(O)CCC 1458a_100011667670_100000747444 [0,2,0,0,0,0|2,0,0]=4 4823 B14R0.1230 CCCC(C)(C)OC(C)CC(=O)OCC 7a_100000748436_100009817359 [0,2,0,0,0,0|1,0,1]=4 4824 B14R0.1230 CCCC(C)(O)CC(=O)CC(=O)NCC 1458a_100011667670_100000183381 [0,2,0,0,0,0|2,0,0]=4 4825 B14R0.1230 CCCC(C)(O)CC(=O)CC(=O)OCC 1458a_100011667670_100000188475 [0,2,0,0,0,0|1,0,0]=3 4826 B14R0.1230 CCOC(=O)CC(=O)NC(C)(C)CCO 240690a_100000763138_100000243816 [0,2,0,0,0,0|2,0,0]=4 4827 B14R0.1230 CCOC(=O)CC(=O)NC(C)(C)COC 240690a_100000752728_100000243816 [0,2,0,0,0,0|2,0,0]=4 4828 B14R0.1230 CCOC(=O)CC(=O)NC(C)(C)CSC 240690a_100000759623_100000243816 [0,2,0,0,0,0|2,0,0]=4 4829 B14R0.2868 C#CC(CCC)OC(C)CC(=O)OCC 7a_200011217317_100009817359 [0,2,0,0,0,0|1,0,1]=4 4830 B14R0.2868 C=CC(CCC)OC(C)CC(=O)OCC 7a_100011216692_100009817359 [0,2,0,0,0,0|1,0,1]=4 4831 B14R0.2868 CCCC(C#N)OC(C)CC(=O)OCC 7a_100000686963_100009817359 [0,2,0,0,0,0|1,0,1]=4 4832 B14R0.2868 CCCC(CC)NC(=O)CC(=O)OCC 240690a_100000747048_100000243816 [0,2,0,0,0,0|1,0,0]=3 4833 B14R0.2868 CCCC(CC)OC(C)CC(=O)OCC 7a_100000687864_100009817359 [0,2,0,0,0,0|1,0,1]=4 4834 B14R0.2868 CCCC(CC)O[C@H](C)CC(=O)OCC 7a_100009816390_100011219200 [0,2,0,0,0,0|1,0,1]=4 4835 B14R0.2868 CCCN(CC)CC(=O)CC(=O)OCC 269982a_100000226822_100000210311 [0,2,0,0,0,0|2,0,0]=4 4836 B14R0.2868 CCC[C@@H](CO)NC(=O)CC(=O)OCC 240690a_100000732646_100000243816 [0,2,0,0,0,0|1,0,0]=3 4837 B14R0.2868 CCOC(=O)CC(=O)NC(CC)COC 240690a_100000757820_100000243816 [0,2,0,0,0,0|2,0,0]=4 4838 B14R0.2868 CCOC(=O)CC(=O)NC(CO)COC 240690a_100000724102_100000243816 [0,2,0,0,0,0|2,0,0]=4 4839 B14R0.2872 CCCC(C)CC(=O)CC(=O)N(C)CC 1458a_100000748435_100011894763 [0,2,0,0,0,0|2,0,0]=4 4840 B14R0.2872 CCOC(=O)CC(=O)CC(C)N(C)CC 1458a_200015187196_100000188475 [0,2,0,0,0,0|2,0,0]=4 4841 B14R0.2872 CCOC(=O)CC(=O)CN(C)C(C)CC 269982a_100000741768_100000210311 [0,2,0,0,0,0|2,0,0]=4 4842 B14R0.2872 CCOC(=O)CC(C)OC(C)C(C)CC 7a_100011215189_100009817359 [0,2,0,0,0,0|1,0,1]=4 4843 B14R0.74 C=C(CC(=O)CCCC(C)C)OCOC 1458a_100011216857_100000042856 [0,2,0,0,0,0|2,0,0]=4 4844 B14R0.74 C=CCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000033060 [0,2,0,0,0,0|1,0,1]=4 4845 B14R0.74 CCCNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183358 [0,2,0,0,0,0|2,0,0]=4 4846 B14R0.74 CCCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_200011215008 [0,2,0,0,0,0|1,0,0]=3 4847 B14R0.74 CCCOC(=O)CC(=O)COCC(C)C 1458a_100011223364_200011215008 [0,2,0,0,0,0|2,0,0]=4 4848 B14R0.74 CCNN=C(C)CC(=O)OCCC(C)C 4a_100000756455_200000035415 [0,2,0,0,0,0|2,0,0]=4 4849 B14R0.203 C#CCCC(=O)CC(=O)OCCOCC 1458a_100000692101_200000101388 [0,2,0,0,0,0|1,0,1]=4 4850 B14R0.203 C#CCCCCC(=O)CC(=O)OCCC 1458a_100000696528_200011215008 [0,2,0,0,0,0|1,0,1]=4 4851 B14R0.203 C=C(CC(=O)C=CCCCC)OCOC 1458a_100016266645_100000042856 [0,2,0,0,0,0|2,0,0]=4 4852 B14R0.203 C=C(CC(=O)CCCCCC)OCOC 1458a_100102632555_100000042856 [0,2,0,0,0,0|2,0,0]=4 4853 B14R0.203 C=C(CC(=O)CCCCCO)OCOC 1458a_100102619762_100000042856 [0,2,0,0,0,0|2,0,0]=4 4854 B14R0.203 C=C(CC(=O)COCCCC)OCOC 1458a_100000757543_100000042856 [0,2,0,0,0,0|1,0,0]=3 4855 B14R0.203 C=C(CC(=O)COCCOC)OCOC 1458a_100000211095_100000042856 [0,2,0,0,0,0|2,0,0]=4 4856 B14R0.203 C=C(CC(=O)CSCCCC)OCOC 1458a_100000191162_100000042856 [0,2,0,0,0,0|1,1,0]=4 4857 B14R0.203 C=CCCC(=O)CC(=O)OCCOCC 1458a_100000749702_200000101388 [0,2,0,0,0,0|1,0,1]=4 4858 B14R0.203 C=CCCCCC(=O)CC(=O)OCCC 1458a_100011215552_200011215008 [0,2,0,0,0,0|1,0,1]=4 4859 B14R0.203 C=CCNC(=O)CC(=O)COCCCC 1458a_100000757543_100000183597 [0,2,0,0,0,0|1,0,1]=4 4860 B14R0.203 C=CCOC(=O)CC(=O)C=CCCCC 1458a_100016266645_100000033060 [0,2,0,0,0,0|1,0,1]=4 4861 B14R0.203 C=CCOC(=O)CC(=O)CCCCCC 1458a_100102632555_100000033060 [0,2,0,0,0,0|1,0,1]=4 4862 B14R0.203 C=CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000033060 [0,2,0,0,0,0|1,0,1]=4 4863 B14R0.203 C=CCOC(=O)CC(=O)COCCCC 1458a_100000757543_100000033060 [0,2,0,0,0,0|0,0,1]=3 4864 B14R0.203 C=CCOC(=O)CC(=O)COCCOC 1458a_100000211095_100000033060 [0,2,0,0,0,0|1,0,1]=4 4865 B14R0.203 C=CCOC(=O)CC(=O)CSCCCC 1458a_100000191162_100000033060 [0,2,0,0,0,0|0,1,1]=4 4866 B14R0.203 CC=CCC(=O)CC(=O)OCCOCC 1458a_100121576822_200000101388 [0,2,0,0,0,0|1,0,1]=4 4867 B14R0.203 CCC#CC(=O)CC(=O)NCCCCC 1458a_100011827653_100000230301 [0,2,0,0,0,0|2,0,0]=4 4868 B14R0.203 CCC#CC(=O)CC(=O)NCCCOC 1458a_100011827653_100000183178 [0,2,0,0,0,0|2,0,0]=4 4869 B14R0.203 CCC#CC(=O)CC(=O)OCCOCC 1458a_100011827653_200000101388 [0,2,0,0,0,0|1,0,0]=3 4870 B14R0.203 CCC/C=C/CC(=O)CC(=O)OCCC 1458a_200016266809_200011215008 [0,2,0,0,0,0|1,0,1]=4 4871 B14R0.203 CCC=CC(=O)CC(=O)NCCCCC 1458a_100000212282_100000230301 [0,2,0,0,0,0|2,0,0]=4 4872 B14R0.203 CCC=CC(=O)CC(=O)NCCCOC 1458a_100000212282_100000183178 [0,2,0,0,0,0|2,0,0]=4 4873 B14R0.203 CCC=CC(=O)CC(=O)OCCOCC 1458a_100000212282_200000101388 [0,2,0,0,0,0|1,0,0]=3 4874 B14R0.203 CCCCC(=O)CC(=O)NCCCOC 1458a_100000210183_100000183178 [0,2,0,0,0,0|2,0,0]=4 4875 B14R0.203 CCCCC(=O)CC(=O)OCCOCC 1458a_100000210183_200000101388 [0,2,0,0,0,0|1,0,0]=3 4876 B14R0.203 CCCCC=CC(=O)CC(=O)NCCC 1458a_100016266645_100000183358 [0,2,0,0,0,0|2,0,0]=4 4877 B14R0.203 CCCCC=CC(=O)CC(=O)OCCC 1458a_100016266645_200011215008 [0,2,0,0,0,0|1,0,0]=3 4878 B14R0.203 CCCCCCC(=O)CC(=O)NCCC 1458a_100102632555_100000183358 [0,2,0,0,0,0|2,0,0]=4 4879 B14R0.203 CCCCCCC(=O)CC(=O)OCCC 1458a_100102632555_200011215008 [0,2,0,0,0,0|1,0,0]=3 4880 B14R0.203 CCCCCNC(=O)CC(=O)CCCC 1458a_100000210183_100000230301 [0,2,0,0,0,0|2,0,0]=4 4881 B14R0.203 CCCCCNC(=O)CC(=O)CCOC 1458a_100000749529_100000230301 [0,2,0,0,0,0|2,0,0]=4 4882 B14R0.203 CCCCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000230301 [0,2,0,0,0,0|2,0,0]=4 4883 B14R0.203 CCCCCNC(=O)CC(=O)COCC 1458a_100000211967_100000230301 [0,2,0,0,0,0|1,0,0]=3 4884 B14R0.203 CCCCCNC(=O)CC(=O)CSCC 1458a_100000230394_100000230301 [0,2,0,0,0,0|1,1,0]=4 4885 B14R0.203 CCCCCOC(=O)CC(=NNCC)C 4a_100000756455_200000037319 [0,2,0,0,0,0|2,0,0]=4 4886 B14R0.203 CCCCNN=C(C)CC(=O)OCCC 4a_100025702795_200000037925 [0,2,0,0,0,0|2,0,0]=4 4887 B14R0.203 CCCCOCC(=O)CC(=O)NCC#N 1458a_100000757543_100000736037 [0,2,0,0,0,0|1,0,1]=4 4888 B14R0.203 CCCCOCC(=O)CC(=O)NCCC 1458a_100000757543_100000183358 [0,2,0,0,0,0|1,0,0]=3 4889 B14R0.203 CCCCOCC(=O)CC(=O)OCCC 1458a_100000757543_200011215008 [0,2,0,0,0,0|0,0,0]=2 4890 B14R0.203 CCCCOCC(=O)NC(=O)NCCC 7a_100000210227_100000184120 [0,2,0,0,0,0|2,0,0]=4 4891 B14R0.203 CCCCSCC(=O)CC(=O)NCCC 1458a_100000191162_100000183358 [0,2,0,0,0,0|1,1,0]=4 4892 B14R0.203 CCCCSCC(=O)CC(=O)OCCC 1458a_100000191162_200011215008 [0,2,0,0,0,0|0,1,0]=3 4893 B14R0.203 CCCNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183358 [0,2,0,0,0,0|2,0,0]=4 4894 B14R0.203 CCCNC(=O)CC(=O)COCCOC 1458a_100000211095_100000183358 [0,2,0,0,0,0|2,0,0]=4 4895 B14R0.203 CCCOC(=O)CC(=O)CCCCCO 1458a_100102619762_200011215008 [0,2,0,0,0,0|1,0,0]=3 4896 B14R0.203 CCCOC(=O)CC(=O)CCOCCO 1458a_100011229844_200011215008 [0,2,0,0,0,0|2,0,0]=4 4897 B14R0.203 CCCOC(=O)CC(=O)COCCOC 1458a_100000211095_200011215008 [0,2,0,0,0,0|1,0,0]=3 4898 B14R0.203 CCOCC(=O)CC(=O)NCCCOC 1458a_100000211967_100000183178 [0,2,0,0,0,0|1,0,0]=3 4899 B14R0.203 CCOCCOC(=O)CC(=O)C#CCO 1458a_100000049017_200000101388 [0,2,0,0,0,0|1,0,1]=4 4900 B14R0.203 CCOCCOC(=O)CC(=O)C=COC 1458a_100016268678_200000101388 [0,2,0,0,0,0|1,0,1]=4 4901 B14R0.203 CCOCCOC(=O)CC(=O)CCC#N 1458a_100011934036_200000101388 [0,2,0,0,0,0|1,0,1]=4 4902 B14R0.203 CCOCCOC(=O)CC(=O)CCOC 1458a_100000749529_200000101388 [0,2,0,0,0,0|1,0,0]=3 4903 B14R0.203 CCOCCOC(=O)CC(=O)CCSC 1458a_100000174002_200000101388 [0,2,0,0,0,0|1,0,0]=3 4904 B14R0.203 CCOCCOC(=O)CC(=O)COCC 1458a_100000211967_200000101388 [0,2,0,0,0,0|0,0,0]=2 4905 B14R0.203 CCOCCOC(=O)CC(=O)CSCC 1458a_100000230394_200000101388 [0,2,0,0,0,0|0,1,0]=3 4906 B14R0.203 CCSCC(=O)CC(=O)NCCCOC 1458a_100000230394_100000183178 [0,2,0,0,0,0|1,1,0]=4 4907 B14R0.203 COCCCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183178 [0,2,0,0,0,0|2,0,0]=4 4908 B14R0.203 COCCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183178 [0,2,0,0,0,0|2,0,0]=4 4909 B14R0.230 C=CC(C)CC(=O)CC(=O)CCCCC 1458a_100011934298_200012276598 [0,2,0,0,0,0|2,0,0]=4 4910 B14R0.230 C=CC(C)CC(=O)CC(=O)NCCCC 1458a_100011934298_100000182744 [0,2,0,0,0,0|2,0,0]=4 4911 B14R0.230 C=CC(C)CC(=O)CC(=O)OCCCC 1458a_100011934298_100000211628 [0,2,0,0,0,0|1,0,0]=3 4912 B14R0.230 C=CC(C)CC(=O)CC(=O)OCCOC 1458a_100011934298_200000040189 [0,2,0,0,0,0|2,0,0]=4 4913 B14R0.230 CCC(=CC(=O)CC(=O)OCCOC)C 1458a_100020758463_200000040189 [0,2,0,0,0,0|2,0,0]=4 4914 B14R0.230 CCC(C)CC(=O)CC(=O)OCCOC 1458a_100000708755_200000040189 [0,2,0,0,0,0|2,0,0]=4 4915 B14R0.230 CCC(O)CC(=O)CC(=O)OCCOC 1458a_100011667805_200000040189 [0,2,0,0,0,0|2,0,0]=4 4916 B14R0.230 CCCCCC(=O)CC(=O)C=C(C)CC 1458a_100020758463_200012276598 [0,2,0,0,0,0|2,0,0]=4 4917 B14R0.230 CCCCCC(=O)CC(=O)CC(C)CC 1458a_100000708755_200012276598 [0,2,0,0,0,0|2,0,0]=4 4918 B14R0.230 CCCCCC(=O)CC(=O)CC(O)CC 1458a_100011667805_200012276598 [0,2,0,0,0,0|2,0,0]=4 4919 B14R0.230 CCCCCC(=O)CC(=O)CN(C)CC 1458a_100116209913_200012276598 [0,2,0,0,0,0|2,0,0]=4 4920 B14R0.230 CCCCCC(=O)CC(=O)NC(C)CC 1458a_100000212188_100000182745 [0,2,0,0,0,0|2,0,0]=4 4921 B14R0.230 CCCCNC(=O)CC(=O)C=C(C)CC 1458a_100020758463_100000182744 [0,2,0,0,0,0|2,0,0]=4 4922 B14R0.230 CCCCNC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000182744 [0,2,0,0,0,0|2,0,0]=4 4923 B14R0.230 CCCCNC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000182744 [0,2,0,0,0,0|2,0,0]=4 4924 B14R0.230 CCCCNC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000182744 [0,2,0,0,0,0|2,0,0]=4 4925 B14R0.230 CCCCOC(=O)CC(=O)C=C(C)CC 1458a_100020758463_100000211628 [0,2,0,0,0,0|1,0,0]=3 4926 B14R0.230 CCCCOC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000211628 [0,2,0,0,0,0|1,0,1]=4 4927 B14R0.230 CCCCOC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000211628 [0,2,0,0,0,0|1,0,0]=3 4928 B14R0.230 CCCCOC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000211628 [0,2,0,0,0,0|1,0,0]=3 4929 B14R0.230 CCCCOC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000211628 [0,2,0,0,0,0|1,0,0]=3 4930 B14R0.230 CCN(C)CC(=O)CC(=O)OCCOC 1458a_100116209913_200000040189 [0,2,0,0,0,0|2,0,0]=4 4931 B14R0.449 C=C(CC(=O)CCC(C)CC)OCOC 1458a_100000701222_100000042856 [0,2,0,0,0,0|2,0,0]=4 4932 B14R0.449 C=CCOC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000033060 [0,2,0,0,0,0|1,0,1]=4 4933 B14R0.449 CCCNC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000183358 [0,2,0,0,0,0|2,0,0]=4 4934 B14R0.449 CCCOC(=O)CC(=O)CCC(C)CC 1458a_100000701222_200011215008 [0,2,0,0,0,0|1,0,0]=3 4935 B14R0.449 CCCOC(=O)CC(=O)CCN(C)CC 1458a_100000755305_200011215008 [0,2,0,0,0,0|2,0,0]=4 4936 B14R0.449 CCCOC(=O)CC(=O)CCS(=O)CC 1458a_100011387550_200011215008 [0,2,0,0,0,0|2,0,0]=4 4937 B14R0.449 CCOCC(=O)CC(=O)NCC(O)CO 1458a_100000211967_200012027429 [0,2,0,0,0,0|2,0,0]=4 4938 B14R0.474 C#CCCC(=O)C(C)C(=O)OCCCC 1458a_100000692101_100000759602 [0,2,0,0,0,0|1,0,1]=4 4939 B14R0.474 C=CCCC(=O)C(C)C(=O)OCCCC 1458a_100000749702_100000759602 [0,2,0,0,0,0|1,0,1]=4 4940 B14R0.474 CC=CCC(=O)C(C)C(=O)OCCCC 1458a_100121576822_100000759602 [0,2,0,0,0,0|1,0,1]=4 4941 B14R0.474 CCC#CC(=O)C(C)C(=O)NCCCC 1458a_100011827653_100000735917 [0,2,0,0,0,0|2,0,0]=4 4942 B14R0.474 CCC#CC(=O)C(C)C(=O)OCCCC 1458a_100011827653_100000759602 [0,2,0,0,0,0|1,0,0]=3 4943 B14R0.474 CCC=CC(=O)C(C)C(=O)NCCCC 1458a_100000212282_100000735917 [0,2,0,0,0,0|2,0,0]=4 4944 B14R0.474 CCC=CC(=O)C(C)C(=O)OCCCC 1458a_100000212282_100000759602 [0,2,0,0,0,0|1,0,0]=3 4945 B14R0.474 CCCC#CC(=O)C(C)C(=O)OCCC 1458a_200011218047_100000760410 [0,2,0,0,0,0|1,0,1]=4 4946 B14R0.474 CCCC=CC(=O)C(C)C(=O)OCCC 1458a_100000212230_100000760410 [0,2,0,0,0,0|1,0,1]=4 4947 B14R0.474 CCCCCC(=O)C(C)C(=O)NCCC 1458a_100000212188_100000230305 [0,2,0,0,0,0|2,0,0]=4 4948 B14R0.474 CCCCCC(=O)C(C)C(=O)OCCC 1458a_100000212188_100000760410 [0,2,0,0,0,0|1,0,0]=3 4949 B14R0.474 CCCCNC(=O)C(C)C(=O)CCCC 1458a_100000210183_100000735917 [0,2,0,0,0,0|2,0,0]=4 4950 B14R0.474 CCCCNC(=O)C(C)C(=O)CCOC 1458a_100000749529_100000735917 [0,2,0,0,0,0|2,0,0]=4 4951 B14R0.474 CCCCNC(=O)C(C)C(=O)CCSC 1458a_100000174002_100000735917 [0,2,0,0,0,0|2,0,0]=4 4952 B14R0.474 CCCCNC(=O)C(C)C(=O)COCC 1458a_100000211967_100000735917 [0,2,0,0,0,0|1,0,0]=3 4953 B14R0.474 CCCCNC(=O)C(C)C(=O)CSCC 1458a_100000230394_100000735917 [0,2,0,0,0,0|1,1,0]=4 4954 B14R0.474 CCCCOC(=O)C(C)C(=O)C#CCO 1458a_100000049017_100000759602 [0,2,0,0,0,0|1,0,1]=4 4955 B14R0.474 CCCCOC(=O)C(C)C(=O)C=COC 1458a_100016268678_100000759602 [0,2,0,0,0,0|1,0,1]=4 4956 B14R0.474 CCCCOC(=O)C(C)C(=O)CCC#N 1458a_100011934036_100000759602 [0,2,0,0,0,0|1,0,1]=4 4957 B14R0.474 CCCCOC(=O)C(C)C(=O)CCCC 1458a_100000210183_100000759602 [0,2,0,0,0,0|1,0,0]=3 4958 B14R0.474 CCCCOC(=O)C(C)C(=O)CCOC 1458a_100000749529_100000759602 [0,2,0,0,0,0|1,0,0]=3 4959 B14R0.474 CCCCOC(=O)C(C)C(=O)CCSC 1458a_100000174002_100000759602 [0,2,0,0,0,0|1,0,0]=3 4960 B14R0.474 CCCCOC(=O)C(C)C(=O)COCC 1458a_100000211967_100000759602 [0,2,0,0,0,0|0,0,0]=2 4961 B14R0.474 CCCCOC(=O)C(C)C(=O)CSCC 1458a_100000230394_100000759602 [0,2,0,0,0,0|0,1,0]=3 4962 B14R0.474 CCCOC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100000760410 [0,2,0,0,0,0|2,0,0]=4 4963 B14R0.474 CCCOC(=O)C(C)C(=O)CCCOC 1458a_100000741012_100000760410 [0,2,0,0,0,0|2,0,0]=4 4964 B14R0.474 CCCOC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100000760410 [0,2,0,0,0,0|2,0,0]=4 4965 B14R0.474 CCCOC(=O)C(C)C(=O)CCOCC 1458a_100000749530_100000760410 [0,2,0,0,0,0|2,0,0]=4 4966 B14R0.474 CCCOC(=O)C(C)C(=O)CCSCC 1458a_100000230768_100000760410 [0,2,0,0,0,0|2,0,0]=4 4967 B14R0.474 CCCOC(=O)C(C)C(=O)CSCCC 1458a_100000217233_100000760410 [0,2,0,0,0,0|2,0,0]=4 4968 B14R0.474 CCCOCC(=O)C(C)C(=O)OCCC 1458a_100000745993_100000760410 [0,2,0,0,0,0|2,0,0]=4 4969 B14R0.474 CCOCC(=O)C(C)C(=O)NCCOC 1458a_100000211967_100000230274 [0,2,0,0,0,0|2,0,0]=4 4970 B14R0.1444 C#CCCCC(=O)CC(=O)CCCCC 1458a_100000690238_200012276598 [0,2,0,0,0,0|2,0,0]=4 4971 B14R0.1444 C#CCCCC(=O)CC(=O)NCCCC 1458a_100000690238_100000182744 [0,2,0,0,0,0|2,0,0]=4 4972 B14R0.1444 C#CCCCC(=O)CC(=O)OCCCC 1458a_100000690238_100000211628 [0,2,0,0,0,0|1,0,0]=3 4973 B14R0.1444 C#CCCCC(=O)CC(=O)OCCOC 1458a_100000690238_200000040189 [0,2,0,0,0,0|2,0,0]=4 4974 B14R0.1444 C#CCOCC(=O)CC(=O)CCCCC 1458a_100011251226_200012276598 [0,2,0,0,0,0|1,0,1]=4 4975 B14R0.1444 C#CCOCC(=O)CC(=O)NCCCC 1458a_100011251226_100000182744 [0,2,0,0,0,0|1,0,1]=4 4976 B14R0.1444 C#CCOCC(=O)CC(=O)OCCCC 1458a_100011251226_100000211628 [0,2,0,0,0,0|0,0,1]=3 4977 B14R0.1444 C#CCOCC(=O)CC(=O)OCCOC 1458a_100011251226_200000040189 [0,2,0,0,0,0|1,0,1]=4 4978 B14R0.1444 C/C=C/C=CC(=O)CC(=O)OCCCC 1458a_100000185730_100000211628 [0,2,0,0,0,0|1,0,1]=4 4979 B14R0.1444 C=CCCCC(=O)CC(=O)CCCCC 1458a_100000766728_200012276598 [0,2,0,0,0,0|2,0,0]=4 4980 B14R0.1444 C=CCCCC(=O)CC(=O)NCCCC 1458a_100000766728_100000182744 [0,2,0,0,0,0|2,0,0]=4 4981 B14R0.1444 C=CCCCC(=O)CC(=O)OCCCC 1458a_100000766728_100000211628 [0,2,0,0,0,0|1,0,0]=3 4982 B14R0.1444 C=CCCCC(=O)CC(=O)OCCOC 1458a_100000766728_200000040189 [0,2,0,0,0,0|2,0,0]=4 4983 B14R0.1444 C=CCSCC(=O)CC(=O)OCCCC 1458a_100000230395_100000211628 [0,2,0,0,0,0|0,1,1]=4 4984 B14R0.1444 CC/C=C/CC(=O)CC(=O)CCCCC 1458a_100016274230_200012276598 [0,2,0,0,0,0|2,0,0]=4 4985 B14R0.1444 CC/C=C/CC(=O)CC(=O)NCCCC 1458a_100016274230_100000182744 [0,2,0,0,0,0|2,0,0]=4 4986 B14R0.1444 CC/C=C/CC(=O)CC(=O)OCCCC 1458a_100016274230_100000211628 [0,2,0,0,0,0|1,0,0]=3 4987 B14R0.1444 CC/C=C/CC(=O)CC(=O)OCCOC 1458a_100016274230_200000040189 [0,2,0,0,0,0|2,0,0]=4 4988 B14R0.1444 CCCC#CC(=O)CC(=O)CCCCC 1458a_200011218047_200012276598 [0,2,0,0,0,0|2,0,0]=4 4989 B14R0.1444 CCCC#CC(=O)CC(=O)NCCCC 1458a_200011218047_100000182744 [0,2,0,0,0,0|2,0,0]=4 4990 B14R0.1444 CCCC#CC(=O)CC(=O)OCCCC 1458a_200011218047_100000211628 [0,2,0,0,0,0|1,0,0]=3 4991 B14R0.1444 CCCC#CC(=O)CC(=O)OCCOC 1458a_200011218047_200000040189 [0,2,0,0,0,0|1,0,1]=4 4992 B14R0.1444 CCCC=CC(=O)CC(=O)CCCCC 1458a_100000212230_200012276598 [0,2,0,0,0,0|2,0,0]=4 4993 B14R0.1444 CCCC=CC(=O)CC(=O)NCCCC 1458a_100000212230_100000182744 [0,2,0,0,0,0|2,0,0]=4 4994 B14R0.1444 CCCC=CC(=O)CC(=O)OCCCC 1458a_100000212230_100000211628 [0,2,0,0,0,0|1,0,0]=3 4995 B14R0.1444 CCCC=CC(=O)CC(=O)OCCOC 1458a_100000212230_200000040189 [0,2,0,0,0,0|1,0,1]=4 4996 B14R0.1444 CCCCCC(=O)CC(=O)C=CCOC 1458a_100016285016_200012276598 [0,2,0,0,0,0|2,0,0]=4 4997 B14R0.1444 CCCCCC(=O)CC(=O)C=COCC 1458a_100016266692_200012276598 [0,2,0,0,0,0|1,0,0]=3 4998 B14R0.1444 CCCCCC(=O)CC(=O)CCCC#N 1458a_100000075515_200012276598 [0,2,0,0,0,0|2,0,0]=4 4999 B14R0.1444 CCCCCC(=O)CC(=O)CCCCC 1458a_100000212188_200012276598 [0,2,0,0,0,0|2,0,0]=4 5000 B14R0.1444 CCCCCC(=O)CC(=O)CCCCO 1458a_100000695505_200012276598 [0,2,0,0,0,0|2,0,0]=4 5001 B14R0.1444 CCCCCC(=O)CC(=O)CCCOC 1458a_100000741012_200012276598 [0,2,0,0,0,0|2,0,0]=4 5002 B14R0.1444 CCCCCC(=O)CC(=O)CCCSC 1458a_100000173376_200012276598 [0,2,0,0,0,0|2,0,0]=4 5003 B14R0.1444 CCCCCC(=O)CC(=O)CCOCC 1458a_100000749530_200012276598 [0,2,0,0,0,0|1,0,0]=3 5004 B14R0.1444 CCCCCC(=O)CC(=O)CCSCC 1458a_100000230768_200012276598 [0,2,0,0,0,0|1,1,0]=4 5005 B14R0.1444 CCCCCC(=O)CC(=O)COCCC 1458a_100000745993_200012276598 [0,2,0,0,0,0|1,0,0]=3 5006 B14R0.1444 CCCCCC(=O)CC(=O)COCCO 1458a_100000708028_200012276598 [0,2,0,0,0,0|1,0,0]=3 5007 B14R0.1444 CCCCCC(=O)CC(=O)CSCCC 1458a_100000217233_200012276598 [0,2,0,0,0,0|1,1,0]=4 5008 B14R0.1444 CCCCCC(=O)CC(=O)NCCCC 1458a_100000212188_100000182744 [0,2,0,0,0,0|2,0,0]=4 5009 B14R0.1444 CCCCCC(=O)CC(=O)NCCOC 1458a_100000212188_100000183275 [0,2,0,0,0,0|2,0,0]=4 5010 B14R0.1444 CCCCCC(=O)CC(=O)OCCCC 1458a_100000212188_100000211628 [0,2,0,0,0,0|1,0,0]=3 5011 B14R0.1444 CCCCCC(=O)CC(=O)OCCOC 1458a_100000212188_200000040189 [0,2,0,0,0,0|1,0,0]=3 5012 B14R0.1444 CCCCNC(=O)CC(=O)C=CCOC 1458a_100016285016_100000182744 [0,2,0,0,0,0|2,0,0]=4 5013 B14R0.1444 CCCCNC(=O)CC(=O)C=COCC 1458a_100016266692_100000182744 [0,2,0,0,0,0|1,0,0]=3 5014 B14R0.1444 CCCCNC(=O)CC(=O)CCCC#N 1458a_100000075515_100000182744 [0,2,0,0,0,0|2,0,0]=4 5015 B14R0.1444 CCCCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000182744 [0,2,0,0,0,0|2,0,0]=4 5016 B14R0.1444 CCCCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000182744 [0,2,0,0,0,0|2,0,0]=4 5017 B14R0.1444 CCCCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000182744 [0,2,0,0,0,0|2,0,0]=4 5018 B14R0.1444 CCCCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000182744 [0,2,0,0,0,0|1,0,0]=3 5019 B14R0.1444 CCCCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000182744 [0,2,0,0,0,0|1,1,0]=4 5020 B14R0.1444 CCCCNC(=O)CC(=O)COCCC 1458a_100000745993_100000182744 [0,2,0,0,0,0|1,0,0]=3 5021 B14R0.1444 CCCCNC(=O)CC(=O)COCCO 1458a_100000708028_100000182744 [0,2,0,0,0,0|1,0,0]=3 5022 B14R0.1444 CCCCNC(=O)CC(=O)CSCCC 1458a_100000217233_100000182744 [0,2,0,0,0,0|1,1,0]=4 5023 B14R0.1444 CCCCOC(=O)CC(=NNCCC)C 4a_100000740057_200000022843 [0,2,0,0,0,0|2,0,0]=4 5024 B14R0.1444 CCCCOC(=O)CC(=NNCCO)C 4a_100000210001_200000022843 [0,2,0,0,0,0|2,0,0]=4 5025 B14R0.1444 CCCCOC(=O)CC(=O)C=CCOC 1458a_100016285016_100000211628 [0,2,0,0,0,0|1,0,0]=3 5026 B14R0.1444 CCCCOC(=O)CC(=O)C=COCC 1458a_100016266692_100000211628 [0,2,0,0,0,0|0,0,0]=2 5027 B14R0.1444 CCCCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000211628 [0,2,0,0,0,0|1,0,0]=3 5028 B14R0.1444 CCCCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000211628 [0,2,0,0,0,0|1,0,0]=3 5029 B14R0.1444 CCCCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000211628 [0,2,0,0,0,0|1,0,0]=3 5030 B14R0.1444 CCCCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000211628 [0,2,0,0,0,0|1,0,0]=3 5031 B14R0.1444 CCCCOC(=O)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000211628 [0,2,0,0,0,0|2,0,0]=4 5032 B14R0.1444 CCCCOC(=O)CC(=O)CCOCC 1458a_100000749530_100000211628 [0,2,0,0,0,0|0,0,0]=2 5033 B14R0.1444 CCCCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000211628 [0,2,0,0,0,0|0,1,0]=3 5034 B14R0.1444 CCCCOC(=O)CC(=O)COCCC 1458a_100000745993_100000211628 [0,2,0,0,0,0|0,0,0]=2 5035 B14R0.1444 CCCCOC(=O)CC(=O)COCCO 1458a_100000708028_100000211628 [0,2,0,0,0,0|0,0,0]=2 5036 B14R0.1444 CCCCOC(=O)CC(=O)CSCC#N 1458a_100000150266_100000211628 [0,2,0,0,0,0|0,1,1]=4 5037 B14R0.1444 CCCCOC(=O)CC(=O)CSCCC 1458a_100000217233_100000211628 [0,2,0,0,0,0|0,1,0]=3 5038 B14R0.1444 CCCOCC(=O)CC(=O)NCCOC 1458a_100000745993_100000183275 [0,2,0,0,0,0|2,0,0]=4 5039 B14R0.1444 CCCOCC(=O)CC(=O)OCCOC 1458a_100000745993_200000040189 [0,2,0,0,0,0|1,0,0]=3 5040 B14R0.1444 CCCSCC(=O)CC(=O)OCCOC 1458a_100000217233_200000040189 [0,2,0,0,0,0|1,1,0]=4 5041 B14R0.1444 CCOC=CC(=O)CC(=O)NCCOC 1458a_100016266692_100000183275 [0,2,0,0,0,0|2,0,0]=4 5042 B14R0.1444 CCOC=CC(=O)CC(=O)OCCOC 1458a_100016266692_200000040189 [0,2,0,0,0,0|1,0,0]=3 5043 B14R0.1444 CCOCCC(=O)CC(=O)NCCOC 1458a_100000749530_100000183275 [0,2,0,0,0,0|2,0,0]=4 5044 B14R0.1444 CCOCCC(=O)CC(=O)OCCOC 1458a_100000749530_200000040189 [0,2,0,0,0,0|1,0,0]=3 5045 B14R0.1444 CCSCCC(=O)CC(=O)OCCOC 1458a_100000230768_200000040189 [0,2,0,0,0,0|1,1,0]=4 5046 B14R0.1444 COCC=CC(=O)CC(=O)OCCOC 1458a_100016285016_200000040189 [0,2,0,0,0,0|2,0,0]=4 5047 B14R0.1444 COCCCC(=O)CC(=O)OCCOC 1458a_100000741012_200000040189 [0,2,0,0,0,0|2,0,0]=4 5048 B14R0.1444 COCCNC(=O)CC(=O)COCCO 1458a_100000708028_100000183275 [0,2,0,0,0,0|2,0,0]=4 5049 B14R0.1444 COCCOC(=O)CC(=O)CCCC#N 1458a_100000075515_200000040189 [0,2,0,0,0,0|2,0,0]=4 5050 B14R0.1444 COCCOC(=O)CC(=O)CCCCO 1458a_100000695505_200000040189 [0,2,0,0,0,0|2,0,0]=4 5051 B14R0.1444 COCCOC(=O)CC(=O)CCCSC 1458a_100000173376_200000040189 [0,2,0,0,0,0|2,0,0]=4 5052 B14R0.1444 COCCOC(=O)CC(=O)COCCO 1458a_100000708028_200000040189 [0,2,0,0,0,0|1,0,0]=3 5053 B14R0.2430 C=C(C)CCC(=O)CC(=O)CCCCC 1458a_200000688413_200012276598 [0,2,0,0,0,0|2,0,0]=4 5054 B14R0.2430 C=C(C)CCC(=O)CC(=O)NCCCC 1458a_200000688413_100000182744 [0,2,0,0,0,0|2,0,0]=4 5055 B14R0.2430 C=C(C)CCC(=O)CC(=O)OCCCC 1458a_200000688413_100000211628 [0,2,0,0,0,0|1,0,0]=3 5056 B14R0.2430 C=C(C)CCC(=O)CC(=O)OCCOC 1458a_200000688413_200000040189 [0,2,0,0,0,0|2,0,0]=4 5057 B14R0.2430 CCCCCC(=O)CC(=O)C=CC(C)C 1458a_100016268746_200012276598 [0,2,0,0,0,0|2,0,0]=4 5058 B14R0.2430 CCCCCC(=O)CC(=O)CCC(C)C 1458a_100000181311_200012276598 [0,2,0,0,0,0|2,0,0]=4 5059 B14R0.2430 CCCCCC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_200012276598 [0,2,0,0,0,0|2,0,0]=4 5060 B14R0.2430 CCCCCC(=O)CC(=O)COC(=O)C 1458a_100000183556_200012276598 [0,2,0,0,0,0|1,0,1]=4 5061 B14R0.2430 CCCCCC(=O)CC(=O)COC(C)C 1458a_100000745533_200012276598 [0,2,0,0,0,0|1,0,0]=3 5062 B14R0.2430 CCCCCC(=O)CC(=O)COC(F)F 1458a_200000719455_200012276598 [0,2,0,0,0,0|2,0,0]=4 5063 B14R0.2430 CCCCCC(=O)CC(=O)CSC(C)C 1458a_100000241585_200012276598 [0,2,0,0,0,0|1,1,0]=4 5064 B14R0.2430 CCCCCC(=O)CC(=O)NCC(C)C 1458a_100000212188_100000183291 [0,2,0,0,0,0|2,0,0]=4 5065 B14R0.2430 CCCCNC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000182744 [0,2,0,0,0,0|2,0,0]=4 5066 B14R0.2430 CCCCNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000182744 [0,2,0,0,0,0|2,0,0]=4 5067 B14R0.2430 CCCCNC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000182744 [0,2,0,0,0,0|2,0,0]=4 5068 B14R0.2430 CCCCNC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000182744 [0,2,0,0,0,0|1,0,1]=4 5069 B14R0.2430 CCCCNC(=O)CC(=O)COC(C)C 1458a_100000745533_100000182744 [0,2,0,0,0,0|1,0,0]=3 5070 B14R0.2430 CCCCNC(=O)CC(=O)COC(F)F 1458a_200000719455_100000182744 [0,2,0,0,0,0|2,0,0]=4 5071 B14R0.2430 CCCCNC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000182744 [0,2,0,0,0,0|1,1,0]=4 5072 B14R0.2430 CCCCOC(=O)CC(=NNC(C)C)C 4a_100000741168_200000022843 [0,2,0,0,0,0|2,0,0]=4 5073 B14R0.2430 CCCCOC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000211628 [0,2,0,0,0,0|1,0,0]=3 5074 B14R0.2430 CCCCOC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000211628 [0,2,0,0,0,0|1,0,1]=4 5075 B14R0.2430 CCCCOC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000211628 [0,2,0,0,0,0|1,0,1]=4 5076 B14R0.2430 CCCCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000211628 [0,2,0,0,0,0|1,0,0]=3 5077 B14R0.2430 CCCCOC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000211628 [0,2,0,0,0,0|2,0,0]=4 5078 B14R0.2430 CCCCOC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000211628 [0,2,0,0,0,0|1,0,0]=3 5079 B14R0.2430 CCCCOC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000211628 [0,2,0,0,0,0|1,0,1]=4 5080 B14R0.2430 CCCCOC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000211628 [0,2,0,0,0,0|0,0,1]=3 5081 B14R0.2430 CCCCOC(=O)CC(=O)COC(C)C 1458a_100000745533_100000211628 [0,2,0,0,0,0|0,0,0]=2 5082 B14R0.2430 CCCCOC(=O)CC(=O)COC(F)F 1458a_200000719455_100000211628 [0,2,0,0,0,0|1,0,0]=3 5083 B14R0.2430 CCCCOC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000211628 [0,2,0,0,0,0|0,1,1]=4 5084 B14R0.2430 CCCCOC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000211628 [0,2,0,0,0,0|0,1,0]=3 5085 B14R0.2430 CCCCOC(=O)CC(=O)CSC(F)F 1458a_114828291038_100000211628 [0,2,0,0,0,0|1,1,0]=4 5086 B14R0.2430 COCCNC(=O)CC(=O)COC(C)C 1458a_100000745533_100000183275 [0,2,0,0,0,0|2,0,0]=4 5087 B14R0.2430 COCCOC(=O)CC(=O)C=CC(C)C 1458a_100016268746_200000040189 [0,2,0,0,0,0|2,0,0]=4 5088 B14R0.2430 COCCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_200000040189 [0,2,0,0,0,0|2,0,0]=4 5089 B14R0.2430 COCCOC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_200000040189 [0,2,0,0,0,0|2,0,0]=4 5090 B14R0.2430 COCCOC(=O)CC(=O)COC(=O)C 1458a_100000183556_200000040189 [0,2,0,0,0,0|1,0,1]=4 5091 B14R0.2430 COCCOC(=O)CC(=O)COC(C)C 1458a_100000745533_200000040189 [0,2,0,0,0,0|1,0,0]=3 5092 B14R0.2430 COCCOC(=O)CC(=O)COC(F)F 1458a_200000719455_200000040189 [0,2,0,0,0,0|2,0,0]=4 5093 B14R0.2430 COCCOC(=O)CC(=O)CSC(C)C 1458a_100000241585_200000040189 [0,2,0,0,0,0|1,1,0]=4 5094 B14R0.73 C#CCCCCCC(=O)CC(=O)CCC 1458a_100000694772_100000747444 [0,2,0,0,0,0|2,0,0]=4 5095 B14R0.73 C#CCCCCCC(=O)CC(=O)NCC 1458a_100000694772_100000183381 [0,2,0,0,0,0|2,0,0]=4 5096 B14R0.73 C#CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100012094781 [0,2,0,0,0,0|1,0,0]=3 5097 B14R0.73 C#CCCCCCC(=O)CC(=O)OCC 1458a_100000694772_100000188475 [0,2,0,0,0,0|1,0,0]=3 5098 B14R0.73 C#CCCCCNC(=O)CC(=O)OCC 240690a_100000706060_100000243816 [0,2,0,0,0,0|1,0,0]=3 5099 B14R0.73 C#CCCCCOC(C)CC(=O)OCC 7a_100000766709_100009817359 [0,2,0,0,0,0|1,0,1]=4 5100 B14R0.73 C#CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100010269958 [0,2,0,0,0,0|1,0,1]=4 5101 B14R0.73 C#CCCCOCC(=O)NC(=O)OCC 7a_100000215630_100000010344 [0,2,0,0,0,0|1,0,1]=4 5102 B14R0.73 C#CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100011215417 [0,2,0,0,0,0|0,1,1]=4 5103 B14R0.73 C#CCCCSCC(=O)CC(=O)OCC 62a_100011215417_100000210311 [0,2,0,0,0,0|0,1,1]=4 5104 B14R0.73 C#CCOCCNC(=O)CC(=O)OCC 240690a_100000700922_100000243816 [0,2,0,0,0,0|1,0,1]=4 5105 B14R0.73 C=C(CCC)CC(=O)CCOCCCC 1458a_100000138376_100000743108 [0,2,0,0,0,0|2,0,0]=4 5106 B14R0.73 C=CCCCCCC(=O)CC(=O)CCC 1458a_100011934241_100000747444 [0,2,0,0,0,0|2,0,0]=4 5107 B14R0.73 C=CCCCCCC(=O)CC(=O)NCC 1458a_100011934241_100000183381 [0,2,0,0,0,0|2,0,0]=4 5108 B14R0.73 C=CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000700193 [0,2,0,0,0,0|1,0,0]=3 5109 B14R0.73 C=CCCCCCC(=O)CC(=O)OCC 1458a_100011934241_100000188475 [0,2,0,0,0,0|1,0,0]=3 5110 B14R0.73 C=CCCCCNC(=O)CC(=O)OCC 240690a_100000703577_100000243816 [0,2,0,0,0,0|1,0,0]=3 5111 B14R0.73 C=CCCCCOC(C)CC(=O)OCC 7a_100000766645_100009817359 [0,2,0,0,0,0|1,0,1]=4 5112 B14R0.73 C=CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215482 [0,2,0,0,0,0|1,0,1]=4 5113 B14R0.73 C=CCCCOCC(=O)NC(=O)OCC 7a_100000758997_100000010344 [0,2,0,0,0,0|1,0,1]=4 5114 B14R0.73 C=CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000757094 [0,2,0,0,0,0|0,1,1]=4 5115 B14R0.73 C=CCCCSCC(=O)CC(=O)OCC 62a_100011713584_100000210311 [0,2,0,0,0,0|0,1,1]=4 5116 B14R0.73 C=COCCCNC(=O)CC(=O)OCC 240690a_100000210767_100000243816 [0,2,0,0,0,0|1,0,1]=4 5117 B14R0.73 CC/C=C\CCOC(C)CC(=O)OCC 7a_100016288707_100009817359 [0,2,0,0,0,0|1,0,1]=4 5118 B14R0.73 CC/C=C\CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015370543 [0,2,0,0,0,0|1,0,1]=4 5119 B14R0.73 CC/C=C\CSCC(=O)CC(=O)OCC 62a_100000210311_100103147603 [0,2,0,0,0,0|0,1,1]=4 5120 B14R0.73 CC/C=C\CSCC(=O)CC(=O)OCC 62a_100103147603_100000210311 [0,2,0,0,0,0|0,1,1]=4 5121 B14R0.73 CCC#CCCOC(C)CC(=O)OCC 7a_100000036655_100009817359 [0,2,0,0,0,0|1,0,1]=4 5122 B14R0.73 CCC#CCSCC(=O)CC(=O)OCC 62a_100000210311_100009813939 [0,2,0,0,0,0|0,1,1]=4 5123 B14R0.73 CCC#CCSCC(=O)CC(=O)OCC 62a_100009813939_100000210311 [0,2,0,0,0,0|0,1,1]=4 5124 B14R0.73 CCC/C=C/C=CC(=O)CC(=O)OCC 1458a_200016258893_100000188475 [0,2,0,0,0,0|1,0,1]=4 5125 B14R0.73 CCC/C=C/COC(C)CC(=O)OCC 7a_100016278788_100009817359 [0,2,0,0,0,0|1,0,1]=4 5126 B14R0.73 CCCC#CCOC(C)CC(=O)OCC 7a_100000034806_100009817359 [0,2,0,0,0,0|1,0,1]=4 5127 B14R0.73 CCCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747444 [0,2,0,0,0,0|2,0,0]=4 5128 B14R0.73 CCCC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000747444 [0,2,0,0,0,0|2,0,0]=4 5129 B14R0.73 CCCC(=O)CC(=O)CCOCCOC 1458a_100000745395_100000747444 [0,2,0,0,0,0|2,0,0]=4 5130 B14R0.73 CCCC/C=C/CC(=O)CC(=O)CCC 1458a_200016282684_100000747444 [0,2,0,0,0,0|2,0,0]=4 5131 B14R0.73 CCCC/C=C/CC(=O)CC(=O)NCC 1458a_200016282684_100000183381 [0,2,0,0,0,0|2,0,0]=4 5132 B14R0.73 CCCC/C=C/CC(=O)CC(=O)OCC 1458a_200016282684_100000188475 [0,2,0,0,0,0|1,0,0]=3 5133 B14R0.73 CCCCCC#CC(=O)CC(=O)CCC 1458a_100011215388_100000747444 [0,2,0,0,0,0|2,0,0]=4 5134 B14R0.73 CCCCCC#CC(=O)CC(=O)NCC 1458a_100011215388_100000183381 [0,2,0,0,0,0|2,0,0]=4 5135 B14R0.73 CCCCCC#CC(=O)CC(=O)OCC 1458a_100011215388_100000188475 [0,2,0,0,0,0|1,0,0]=3 5136 B14R0.73 CCCCCC=CC(=O)CC(=O)CCC 1458a_100016263427_100000747444 [0,2,0,0,0,0|2,0,0]=4 5137 B14R0.73 CCCCCC=CC(=O)CC(=O)NCC 1458a_100016263427_100000183381 [0,2,0,0,0,0|2,0,0]=4 5138 B14R0.73 CCCCCC=CC(=O)CC(=O)OCC 1458a_100016263427_100000188475 [0,2,0,0,0,0|1,0,0]=3 5139 B14R0.73 CCCCCCCC(=O)CC(=O)CCC 1458a_100000211969_100000747444 [0,2,0,0,0,0|2,0,0]=4 5140 B14R0.73 CCCCCCCC(=O)CC(=O)NCC 1458a_100000211969_100000183381 [0,2,0,0,0,0|2,0,0]=4 5141 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000211969_100000188475 [0,2,0,0,0,0|1,0,0]=3 5142 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210614 [0,2,0,0,0,0|1,0,0]=3 5143 B14R0.73 CCCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230325 [0,2,0,0,0,0|2,0,0]=4 5144 B14R0.73 CCCCCCNC(=O)CC(=O)OCC 240690a_100000210581_100000243816 [0,2,0,0,0,0|1,0,0]=3 5145 B14R0.73 CCCCCCOC(C)CC(=O)OCC 7a_100000210259_100009817359 [0,2,0,0,0,0|1,0,1]=4 5146 B14R0.73 CCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210314 [0,2,0,0,0,0|1,0,1]=4 5147 B14R0.73 CCCCCNNC(=O)CC(=O)OCC 22a_100000694160_100000243816 [0,2,0,0,0,0|1,0,0]=3 5148 B14R0.73 CCCCCOCC(=CC(=O)OCC)C 34a_100000210253_100135422193 [0,2,0,0,0,0|1,0,1]=4 5149 B14R0.73 CCCCCOCC(=CC(=O)OCC)C 7a_100000210253_100135422193 [0,2,0,0,0,0|1,0,1]=4 5150 B14R0.73 CCCCCOCC(=O)NC(=O)NCC 7a_100000210253_100000183762 [0,2,0,0,0,0|2,0,0]=4 5151 B14R0.73 CCCCCOCC(=O)NC(=O)OCC 7a_100000210253_100000010344 [0,2,0,0,0,0|1,0,0]=3 5152 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210253_100000688340 [0,2,0,0,0,0|0,0,2]=4 5153 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210253_100000688340 [0,2,0,0,0,0|0,0,2]=4 5154 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210326 [0,2,0,0,0,0|0,1,0]=3 5155 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210326_100000210311 [0,2,0,0,0,0|0,1,0]=3 5156 B14R0.73 CCCCCSCC(=O)NC(=O)OCC 62a_100000210326_100000010344 [0,2,0,0,0,0|1,1,0]=4 5157 B14R0.73 CCCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100000743108 [0,2,0,0,0,0|0,0,0]=2 5158 B14R0.73 CCCCOCCC(=O)CS(=O)CCC 1458a_100011387404_100000743108 [0,2,0,0,0,0|2,0,0]=4 5159 B14R0.73 CCCCOCCN(C)CC(=O)OCC 2230a_100000220588_100000743108 [0,2,0,0,0,0|2,0,0]=4 5160 B14R0.73 CCCCOCSC(C)CC(=O)OCC 62a_100009817359_100011995733 [0,2,0,0,0,0|1,0,1]=4 5161 B14R0.73 CCCCOCSC(C)CC(=O)OCC 62a_100011995733_100009817359 [0,2,0,0,0,0|1,0,1]=4 5162 B14R0.73 CCCOCCNC(=O)CC(=O)OCC 240690a_100161115042_100000243816 [0,2,0,0,0,0|1,0,0]=3 5163 B14R0.73 CCCOCCOC(C)CC(=O)OCC 7a_100000752267_100009817359 [0,2,0,0,0,0|1,0,1]=4 5164 B14R0.73 CCCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215938 [0,2,0,0,0,0|1,0,1]=4 5165 B14R0.73 CCCSCCNC(=O)CC(=O)OCC 240690a_100020603323_100000243816 [0,2,0,0,0,0|1,0,0]=3 5166 B14R0.73 CCCSCCOC(C)CC(=O)OCC 7a_200000230433_100009817359 [0,2,0,0,0,0|1,0,1]=4 5167 B14R0.73 CCNC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000183381 [0,2,0,0,0,0|2,0,0]=4 5168 B14R0.73 CCNC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000183381 [0,2,0,0,0,0|2,0,0]=4 5169 B14R0.73 CCNC(=O)CC(=O)CCOCCOC 1458a_100000745395_100000183381 [0,2,0,0,0,0|2,0,0]=4 5170 B14R0.73 CCNC(=O)NC(=O)COCCCCCl 7a_100000210776_100000183762 [0,2,0,0,0,0|2,0,0]=4 5171 B14R0.73 CCNC(=O)NC(=O)COCCCCF 7a_100011995726_100000183762 [0,2,0,0,0,0|2,0,0]=4 5172 B14R0.73 CCNC(=O)NC(=O)COCCCSC 7a_100000690336_100000183762 [0,2,0,0,0,0|2,0,0]=4 5173 B14R0.73 CCNC(=O)NC(=O)COCCOCC 7a_100000210136_100000183762 [0,2,0,0,0,0|2,0,0]=4 5174 B14R0.73 CCNC(=O)NC(=O)COCCSCC 7a_100000212035_100000183762 [0,2,0,0,0,0|2,0,0]=4 5175 B14R0.73 CCOC(=O)C=C(C)COCCCCBr 34a_100011216708_100135422193 [0,2,0,0,0,0|1,0,1]=4 5176 B14R0.73 CCOC(=O)C=C(C)COCCCCCl 34a_100000210776_100135422193 [0,2,0,0,0,0|1,0,1]=4 5177 B14R0.73 CCOC(=O)C=C(C)COCCCCCl 7a_100000210776_100135422193 [0,2,0,0,0,0|1,0,1]=4 5178 B14R0.73 CCOC(=O)C=C(C)COCCCCF 34a_100011995726_100135422193 [0,2,0,0,0,0|1,0,1]=4 5179 B14R0.73 CCOC(=O)C=C(C)COCCCCF 7a_100011995726_100135422193 [0,2,0,0,0,0|1,0,1]=4 5180 B14R0.73 CCOC(=O)C=C(C)COCCCCI 34a_200012148704_100135422193 [0,2,0,0,0,0|1,0,1]=4 5181 B14R0.73 CCOC(=O)C=C(C)COCCCCN 34a_100000750430_100135422193 [0,2,0,0,0,0|1,0,1]=4 5182 B14R0.73 CCOC(=O)C=C(C)COCCCNC 34a_100000213112_100135422193 [0,2,0,0,0,0|1,0,1]=4 5183 B14R0.73 CCOC(=O)C=C(C)COCCCOC 34a_100000740835_100135422193 [0,2,0,0,0,0|1,0,1]=4 5184 B14R0.73 CCOC(=O)C=C(C)COCCCSC 34a_100000690336_100135422193 [0,2,0,0,0,0|1,0,1]=4 5185 B14R0.73 CCOC(=O)C=C(C)COCCCSC 7a_100000690336_100135422193 [0,2,0,0,0,0|1,0,1]=4 5186 B14R0.73 CCOC(=O)C=C(C)COCCSCC 34a_100000212035_100135422193 [0,2,0,0,0,0|1,0,1]=4 5187 B14R0.73 CCOC(=O)C=C(C)COCCSCC 7a_100000212035_100135422193 [0,2,0,0,0,0|1,0,1]=4 5188 B14R0.73 CCOC(=O)CC(=O)CCCCCC#N 1458a_100000243816_100009813376 [0,2,0,0,0,0|1,0,0]=3 5189 B14R0.73 CCOC(=O)CC(=O)CCCCCCF 1458a_100000243816_100015922095 [0,2,0,0,0,0|1,0,0]=3 5190 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100000243816_100000766143 [0,2,0,0,0,0|1,0,0]=3 5191 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000188475 [0,2,0,0,0,0|1,0,0]=3 5192 B14R0.73 CCOC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000188475 [0,2,0,0,0,0|1,0,0]=3 5193 B14R0.73 CCOC(=O)CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000188475 [0,2,0,0,0,0|2,0,0]=4 5194 B14R0.73 CCOC(=O)CC(=O)CCOCCOC 1458a_100000243816_100000695917 [0,2,0,0,0,0|1,0,0]=3 5195 B14R0.73 CCOC(=O)CC(=O)CCOCCOC 1458a_100000745395_100000188475 [0,2,0,0,0,0|1,0,0]=3 5196 B14R0.73 CCOC(=O)CC(=O)CSCCCC#N 62a_100000210311_100000687738 [0,2,0,0,0,0|0,1,1]=4 5197 B14R0.73 CCOC(=O)CC(=O)CSCCCC#N 62a_100000687738_100000210311 [0,2,0,0,0,0|0,1,1]=4 5198 B14R0.73 CCOC(=O)CC(=O)CSCCCC=O 62a_100000210311_200011292268 [0,2,0,0,0,0|0,1,1]=4 5199 B14R0.73 CCOC(=O)CC(=O)CSCCCC=O 62a_200011292268_100000210311 [0,2,0,0,0,0|0,1,1]=4 5200 B14R0.73 CCOC(=O)CC(=O)CSCCCCF 62a_100000210311_100000729493 [0,2,0,0,0,0|0,1,0]=3 5201 B14R0.73 CCOC(=O)CC(=O)CSCCCCF 62a_100000729493_100000210311 [0,2,0,0,0,0|0,1,0]=3 5202 B14R0.73 CCOC(=O)CC(=O)CSCCCCO 62a_100000210311_100000210776 [0,2,0,0,0,0|0,1,0]=3 5203 B14R0.73 CCOC(=O)CC(=O)CSCCCCO 62a_100000210776_100000210311 [0,2,0,0,0,0|0,1,0]=3 5204 B14R0.73 CCOC(=O)CC(=O)CSCCCOC 62a_100000210311_100000709357 [0,2,0,0,0,0|0,1,0]=3 5205 B14R0.73 CCOC(=O)CC(=O)CSCCCOC 62a_100000709357_100000210311 [0,2,0,0,0,0|0,1,0]=3 5206 B14R0.73 CCOC(=O)CC(=O)CSCCSCC 62a_100000210311_100000757381 [0,2,0,0,0,0|0,1,0]=3 5207 B14R0.73 CCOC(=O)CC(=O)CSCCSCC 62a_100000757381_100000210311 [0,2,0,0,0,0|0,1,0]=3 5208 B14R0.73 CCOC(=O)CC(=O)NCCCCC#N 240690a_100000751965_100000243816 [0,2,0,0,0,0|1,0,0]=3 5209 B14R0.73 CCOC(=O)CC(=O)NCCCCCO 240690a_100000762737_100000243816 [0,2,0,0,0,0|1,0,0]=3 5210 B14R0.73 CCOC(=O)CC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100000243816 [0,2,0,0,0,0|2,0,0]=4 5211 B14R0.73 CCOC(=O)CC(=O)NCCOCCO 240690a_100000211614_100000243816 [0,2,0,0,0,0|1,0,0]=3 5212 B14R0.73 CCOC(=O)CC(=O)NCCSCCO 240690a_100011219999_100000243816 [0,2,0,0,0,0|1,0,0]=3 5213 B14R0.73 CCOC(=O)CC(=O)NNCCCOC 22a_100025702787_100000243816 [0,2,0,0,0,0|1,0,0]=3 5214 B14R0.73 CCOC(=O)CC(C)OCCCCCBr 7a_100000746331_100009817359 [0,2,0,0,0,0|1,0,1]=4 5215 B14R0.73 CCOC(=O)CC(C)OCCCCCCl 7a_100000746330_100009817359 [0,2,0,0,0,0|1,0,1]=4 5216 B14R0.73 CCOC(=O)CC(C)OCCCCCI 7a_200012148887_100009817359 [0,2,0,0,0,0|1,0,1]=4 5217 B14R0.73 CCOC(=O)CC(C)OCCCCSC 7a_100011217163_100009817359 [0,2,0,0,0,0|1,0,1]=4 5218 B14R0.73 CCOC(=O)CC(C)OCCCSCC 7a_100011216438_100009817359 [0,2,0,0,0,0|1,0,1]=4 5219 B14R0.73 CCOC(=O)CC(C)OCCOCCBr 7a_100000692535_100009817359 [0,2,0,0,0,0|1,0,1]=4 5220 B14R0.73 CCOC(=O)CC(C)OCCOCCCl 7a_100011215305_100009817359 [0,2,0,0,0,0|1,0,1]=4 5221 B14R0.73 CCOC(=O)CC(C)OCCOCCF 7a_200015357709_100009817359 [0,2,0,0,0,0|1,0,1]=4 5222 B14R0.73 CCOC(=O)CC(C)OCCOCCI 7a_100012149058_100009817359 [0,2,0,0,0,0|1,0,1]=4 5223 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCC#N 7a_100009816390_100000211819 [0,2,0,0,0,0|1,0,1]=4 5224 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCC=O 7a_100009816390_100000139335 [0,2,0,0,0,0|1,0,1]=4 5225 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCCF 7a_100009816390_100000729378 [0,2,0,0,0,0|1,0,1]=4 5226 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCCO 7a_100009816390_100000746330 [0,2,0,0,0,0|1,0,1]=4 5227 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCOC 7a_100009816390_100000730899 [0,2,0,0,0,0|1,0,1]=4 5228 B14R0.73 CCOC(=O)C[C@@H](C)OCCOCCO 7a_100009816390_100011215305 [0,2,0,0,0,0|1,0,1]=4 5229 B14R0.73 CCOC(=O)C[C@H](O)COCCCCBr 34a_100011216708_100000688340 [0,2,0,0,0,0|0,0,2]=4 5230 B14R0.73 CCOC(=O)C[C@H](O)COCCCCCl 34a_100000210776_100000688340 [0,2,0,0,0,0|0,0,2]=4 5231 B14R0.73 CCOC(=O)C[C@H](O)COCCCCCl 7a_100000210776_100000688340 [0,2,0,0,0,0|0,0,2]=4 5232 B14R0.73 CCOC(=O)C[C@H](O)COCCCCF 34a_100011995726_100000688340 [0,2,0,0,0,0|0,0,2]=4 5233 B14R0.73 CCOC(=O)C[C@H](O)COCCCCF 7a_100011995726_100000688340 [0,2,0,0,0,0|0,0,2]=4 5234 B14R0.73 CCOC(=O)C[C@H](O)COCCCCI 34a_200012148704_100000688340 [0,2,0,0,0,0|0,0,2]=4 5235 B14R0.73 CCOC(=O)C[C@H](O)COCCCCN 34a_100000750430_100000688340 [0,2,0,0,0,0|0,0,2]=4 5236 B14R0.73 CCOC(=O)C[C@H](O)COCCCNC 34a_100000213112_100000688340 [0,2,0,0,0,0|0,0,2]=4 5237 B14R0.73 CCOC(=O)C[C@H](O)COCCCOC 34a_100000740835_100000688340 [0,2,0,0,0,0|0,0,2]=4 5238 B14R0.73 CCOC(=O)C[C@H](O)COCCCSC 34a_100000690336_100000688340 [0,2,0,0,0,0|0,0,2]=4 5239 B14R0.73 CCOC(=O)C[C@H](O)COCCCSC 7a_100000690336_100000688340 [0,2,0,0,0,0|0,0,2]=4 5240 B14R0.73 CCOC(=O)C[C@H](O)COCCSCC 34a_100000212035_100000688340 [0,2,0,0,0,0|0,0,2]=4 5241 B14R0.73 CCOC(=O)C[C@H](O)COCCSCC 7a_100000212035_100000688340 [0,2,0,0,0,0|0,0,2]=4 5242 B14R0.73 CCOC(=O)NC(=O)COCCCCCl 7a_100000210776_100000010344 [0,2,0,0,0,0|1,0,0]=3 5243 B14R0.73 CCOC(=O)NC(=O)COCCCCF 7a_100011995726_100000010344 [0,2,0,0,0,0|1,0,0]=3 5244 B14R0.73 CCOC(=O)NC(=O)COCCCSC 7a_100000690336_100000010344 [0,2,0,0,0,0|1,0,0]=3 5245 B14R0.73 CCOC(=O)NC(=O)COCCSCC 7a_100000212035_100000010344 [0,2,0,0,0,0|1,0,0]=3 5246 B14R0.73 CCOC(=O)NC(=O)CSCCCCF 62a_100000729493_100000010344 [0,2,0,0,0,0|1,1,0]=4 5247 B14R0.73 CCOC(=O)NC(=O)CSCCCCO 62a_100000210776_100000010344 [0,2,0,0,0,0|1,1,0]=4 5248 B14R0.73 CCOC(=O)NC(=O)CSCCCOC 62a_100000709357_100000010344 [0,2,0,0,0,0|1,1,0]=4 5249 B14R0.73 CCOC(=O)NC(=O)CSCCSCC 62a_100000757381_100000010344 [0,2,0,0,0,0|1,1,0]=4 5250 B14R0.73 CCOCCCNC(=O)CC(=O)OCC 240690a_100000210961_100000243816 [0,2,0,0,0,0|1,0,0]=3 5251 B14R0.73 CCOCCCOC(C)CC(=O)OCC 7a_100000757476_100009817359 [0,2,0,0,0,0|1,0,1]=4 5252 B14R0.73 CCOCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100012232248 [0,2,0,0,0,0|1,0,1]=4 5253 B14R0.73 CCOCCNNC(=O)CC(=O)OCC 22a_100000732670_100000243816 [0,2,0,0,0,0|1,0,0]=3 5254 B14R0.73 CCOCCOCC(=CC(=O)OCC)C 34a_100000210136_100135422193 [0,2,0,0,0,0|1,0,1]=4 5255 B14R0.73 CCOCCOCC(=CC(=O)OCC)C 7a_100000210136_100135422193 [0,2,0,0,0,0|1,0,1]=4 5256 B14R0.73 CCOCCOCC(=O)NC(=O)OCC 7a_100000210136_100000010344 [0,2,0,0,0,0|1,0,0]=3 5257 B14R0.73 CCOCCOC[C@@H](O)CC(=O)OCC 34a_100000210136_100000688340 [0,2,0,0,0,0|0,0,2]=4 5258 B14R0.73 CCOCCOC[C@@H](O)CC(=O)OCC 7a_100000210136_100000688340 [0,2,0,0,0,0|0,0,2]=4 5259 B14R0.73 CCOCCSCC(=O)CC(=O)OCC 62a_100000210147_100000210311 [0,2,0,0,0,0|0,1,0]=3 5260 B14R0.73 CCOCCSCC(=O)CC(=O)OCC 62a_100000210311_100011215890 [0,2,0,0,0,0|0,1,0]=3 5261 B14R0.73 CCOCCSCC(=O)NC(=O)OCC 62a_100000210147_100000010344 [0,2,0,0,0,0|1,1,0]=4 5262 B14R0.389 C#CCCCCC(=O)CC(=O)OC(C)C 1458a_100000696528_100011215430 [0,2,0,0,0,0|1,0,1]=4 5263 B14R0.389 C=CCCCCC(=O)CC(=O)OC(C)C 1458a_100011215552_100011215430 [0,2,0,0,0,0|1,0,1]=4 5264 B14R0.389 CC(C)NC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183996 [0,2,0,0,0,0|2,0,0]=4 5265 B14R0.389 CC(C)OC(=O)CC(=O)CCCCCO 1458a_100102619762_100011215430 [0,2,0,0,0,0|1,0,0]=3 5266 B14R0.389 CC(C)OC(=O)CC(=O)CCOCCO 1458a_100011229844_100011215430 [0,2,0,0,0,0|2,0,0]=4 5267 B14R0.389 CCC/C=C/CC(=O)CC(=O)OC(C)C 1458a_200016266809_100011215430 [0,2,0,0,0,0|1,0,1]=4 5268 B14R0.389 CCCCC=CC(=O)CC(=O)NC(C)C 1458a_100016266645_100000183996 [0,2,0,0,0,0|2,0,0]=4 5269 B14R0.389 CCCCC=CC(=O)CC(=O)OC(C)C 1458a_100016266645_100011215430 [0,2,0,0,0,0|1,0,0]=3 5270 B14R0.389 CCCCCCC(=O)CC(=O)NC(C)C 1458a_100102632555_100000183996 [0,2,0,0,0,0|2,0,0]=4 5271 B14R0.389 CCCCCCC(=O)CC(=O)OC(C)C 1458a_100102632555_100011215430 [0,2,0,0,0,0|1,0,0]=3 5272 B14R0.389 CCCCCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000230301 [0,2,0,0,0,0|2,0,0]=4 5273 B14R0.389 CCCCCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000230301 [0,2,0,0,0,0|2,0,0]=4 5274 B14R0.389 CCCCOCC(=O)CC(=O)NC(=O)C 1458a_100000757543_100000183797 [0,2,0,0,0,0|1,0,1]=4 5275 B14R0.389 CCCCOCC(=O)CC(=O)NC(C)C 1458a_100000757543_100000183996 [0,2,0,0,0,0|1,0,0]=3 5276 B14R0.389 CCCCOCC(=O)CC(=O)OC(C)C 1458a_100000757543_100011215430 [0,2,0,0,0,0|0,0,0]=2 5277 B14R0.389 CCCCSCC(=O)CC(=O)NC(C)C 1458a_100000191162_100000183996 [0,2,0,0,0,0|1,1,0]=4 5278 B14R0.389 CCCCSCC(=O)CC(=O)OC(C)C 1458a_100000191162_100011215430 [0,2,0,0,0,0|0,1,0]=3 5279 B14R0.389 CCOCCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_200000101388 [0,2,0,0,0,0|1,0,1]=4 5280 B14R0.389 CCOCCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_200000101388 [0,2,0,0,0,0|1,0,1]=4 5281 B14R0.389 CCOCCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_200000101388 [0,2,0,0,0,0|1,0,1]=4 5282 B14R0.389 CCOCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_200000101388 [0,2,0,0,0,0|1,0,0]=3 5283 B14R0.389 CCOCCOC(=O)CC(=O)CN(C)C 1458a_100000750896_200000101388 [0,2,0,0,0,0|2,0,0]=4 5284 B14R0.389 CCOCCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200000101388 [0,2,0,0,0,0|1,0,0]=3 5285 B14R0.389 CCOCCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_200000101388 [0,2,0,0,0,0|2,0,0]=4 5286 B14R0.389 COCCCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183178 [0,2,0,0,0,0|2,0,0]=4 5287 B14R0.389 COCCCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183178 [0,2,0,0,0,0|2,0,0]=4 5288 B14R0.389 COCCOCC(=O)CC(=O)NC(C)C 1458a_100000211095_100000183996 [0,2,0,0,0,0|2,0,0]=4 5289 B14R0.389 COCCOCC(=O)CC(=O)OC(C)C 1458a_100000211095_100011215430 [0,2,0,0,0,0|1,0,0]=3 5290 B14R0.955 CCCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210326 [0,2,0,0,0,0|1,0,1]=4 5291 B14R0.955 CCCCNN=C(CC)CC(=O)OCC 4a_100025702795_100000758052 [0,2,0,0,0,0|2,0,0]=4 5292 B14R0.955 CCCCOCN(CC)CC(=O)OCC 2230a_100000220607_100011995733 [0,2,0,0,0,0|2,0,0]=4 5293 B14R0.955 CCCCOCN(CC)CC(=O)OCC 269982a_100000220607_100011995733 [0,2,0,0,0,0|2,0,0]=4 5294 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCCCF 7a_100000688340_100000729493 [0,2,0,0,0,0|1,0,1]=4 5295 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCCCO 7a_100000688340_100000210776 [0,2,0,0,0,0|1,0,1]=4 5296 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCCOC 7a_100000688340_100000740836 [0,2,0,0,0,0|1,0,1]=4 5297 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCSCC 7a_100000688340_100000757381 [0,2,0,0,0,0|1,0,1]=4 5298 B14R0.955 CCOCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100011215890 [0,2,0,0,0,0|1,0,1]=4 5299 B14R0.1389 CCCCOCC(=O)C[Si](C)(C)OCC 1458a_100000757543_200000065227 [0,2,0,0,0,0|1,1,0]=4 5300 B14R0.1824 CCCCCNS(=O)(=O)CC(=O)OCC 270084a_100000209983_100000738689 [0,2,0,0,0,0|2,0,0]=4 5301 B14R0.1824 CCCCCNS(=O)(=O)CC(=O)OCC 274078a_100000209983_100000738689 [0,2,0,0,0,0|2,0,0]=4 5302 B14R0.1824 CCCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210326 [0,2,0,0,0,0|1,0,1]=4 5303 B14R0.1824 CCOC(=O)CC(C)(C)OCCCCF 7a_100000765344_100000729493 [0,2,0,0,0,0|1,0,1]=4 5304 B14R0.1824 CCOC(=O)CC(C)(C)OCCCCO 7a_100000765344_100000210776 [0,2,0,0,0,0|1,0,1]=4 5305 B14R0.1824 CCOC(=O)CC(C)(C)OCCCOC 7a_100000765344_100000740836 [0,2,0,0,0,0|1,0,1]=4 5306 B14R0.1824 CCOC(=O)CC(C)(C)OCCSCC 7a_100000765344_100000757381 [0,2,0,0,0,0|1,0,1]=4 5307 B14R0.1824 CCOC(=O)CS(=O)(=O)NCCCCO 270084a_100000750430_100000738689 [0,2,0,0,0,0|2,0,0]=4 5308 B14R0.1824 CCOC(=O)CS(=O)(=O)NCCCCO 274078a_100000750430_100000738689 [0,2,0,0,0,0|2,0,0]=4 5309 B14R0.1824 CCOC(=O)CS(=O)(=O)NCCCOC 270084a_100150723488_100000738689 [0,2,0,0,0,0|2,0,0]=4 5310 B14R0.1824 CCOC(=O)CS(=O)(=O)NCCCOC 274078a_100150723488_100000738689 [0,2,0,0,0,0|2,0,0]=4 5311 B14R0.1824 CCOC(=O)CS(=O)(=O)NCCCSC 270084a_100000749238_100000738689 [0,2,0,0,0,0|2,0,0]=4 5312 B14R0.1824 CCOC(=O)CS(=O)(=O)NCCCSC 274078a_100000749238_100000738689 [0,2,0,0,0,0|2,0,0]=4 5313 B14R0.1824 CCOC(=O)CS(=O)(=O)NCCSCC 270084a_100000106463_100000738689 [0,2,0,0,0,0|2,0,0]=4 5314 B14R0.1824 CCOC(=O)CS(=O)(=O)NCCSCC 274078a_100000106463_100000738689 [0,2,0,0,0,0|2,0,0]=4 5315 B14R0.1824 CCOCCNS(=O)(=O)CC(=O)OCC 270084a_102516460346_100000738689 [0,2,0,0,0,0|2,0,0]=4 5316 B14R0.1824 CCOCCNS(=O)(=O)CC(=O)OCC 274078a_102516460346_100000738689 [0,2,0,0,0,0|2,0,0]=4 5317 B14R0.1824 CCOCCOC(C)(C)CC(=O)OCC 7a_100000765344_100011215890 [0,2,0,0,0,0|1,0,1]=4 5318 B14R0.2225 C#CCCCCC(=O)C(C)C(=O)OCC 1458a_100000696528_100011216346 [0,2,0,0,0,0|1,0,1]=4 5319 B14R0.2225 C#CCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100010269958 [0,2,0,0,0,0|1,0,1]=4 5320 B14R0.2225 C#CCCCCC(=O)C(F)C(=O)OCC 1458a_100000696528_100000760018 [0,2,0,0,0,0|1,0,1]=4 5321 B14R0.2225 C#CCCCNC(=O)C(C)C(=O)OCC 11a_100000718082_100132301724 [0,2,0,0,0,0|1,0,1]=4 5322 B14R0.2225 C#CCCCNC(=O)C(C)C(=O)OCC 1626a_100000718082_100132301724 [0,2,0,0,0,0|1,0,1]=4 5323 B14R0.2225 C#CCCCNC(=O)C(C)C(=O)OCC 240690a_100000718082_100132301724 [0,2,0,0,0,0|1,0,1]=4 5324 B14R0.2225 C#CCCCNC(=O)C(C)C(=O)OCC 527a_100000718082_100132301724 [0,2,0,0,0,0|1,0,1]=4 5325 B14R0.2225 C=CCCCCC(=O)C(C)C(=O)OCC 1458a_100011215552_100011216346 [0,2,0,0,0,0|1,0,1]=4 5326 B14R0.2225 C=CCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100011215482 [0,2,0,0,0,0|1,0,1]=4 5327 B14R0.2225 C=CCCCCC(=O)C(F)C(=O)OCC 1458a_100011215552_100000760018 [0,2,0,0,0,0|1,0,1]=4 5328 B14R0.2225 C=CCCCNC(=O)C(C)C(=O)OCC 11a_100000700776_100132301724 [0,2,0,0,0,0|1,0,1]=4 5329 B14R0.2225 C=CCCCNC(=O)C(C)C(=O)OCC 1626a_100000700776_100132301724 [0,2,0,0,0,0|1,0,1]=4 5330 B14R0.2225 C=CCCCNC(=O)C(C)C(=O)OCC 240690a_100000700776_100132301724 [0,2,0,0,0,0|1,0,1]=4 5331 B14R0.2225 C=CCCCNC(=O)C(C)C(=O)OCC 527a_100000700776_100132301724 [0,2,0,0,0,0|1,0,1]=4 5332 B14R0.2225 CC/C=C\CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100015370543 [0,2,0,0,0,0|1,0,1]=4 5333 B14R0.2225 CCC/C=C/CC(=O)C(C)C(=O)OCC 1458a_200016266809_100011216346 [0,2,0,0,0,0|1,0,1]=4 5334 B14R0.2225 CCC/C=C/CC(=O)C(F)C(=O)OCC 1458a_200016266809_100000760018 [0,2,0,0,0,0|1,0,1]=4 5335 B14R0.2225 CCCC(=O)C(C)C(=O)NCCCOC 1458a_100000211992_100000735919 [0,2,0,0,0,0|2,0,0]=4 5336 B14R0.2225 CCCCC=CC(=O)C(C)C(=O)NCC 1458a_100016266645_100000230173 [0,2,0,0,0,0|2,0,0]=4 5337 B14R0.2225 CCCCC=CC(=O)C(C)C(=O)OCC 1458a_100016266645_100011216346 [0,2,0,0,0,0|1,0,0]=3 5338 B14R0.2225 CCCCC=CC(=O)C(F)C(=O)OCC 1458a_100016266645_100000760018 [0,2,0,0,0,0|1,0,0]=3 5339 B14R0.2225 CCCCCCC(=O)C(C)C(=O)NCC 1458a_100102632555_100000230173 [0,2,0,0,0,0|2,0,0]=4 5340 B14R0.2225 CCCCCCC(=O)C(C)C(=O)OCC 1458a_100102632555_100011216346 [0,2,0,0,0,0|1,0,0]=3 5341 B14R0.2225 CCCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210757 [0,2,0,0,0,0|1,0,0]=3 5342 B14R0.2225 CCCCCCC(=O)C(F)C(=O)OCC 1458a_100102632555_100000760018 [0,2,0,0,0,0|1,0,0]=3 5343 B14R0.2225 CCCCCNC(=O)C(C)C(=O)CCC 1458a_100000211992_100000735910 [0,2,0,0,0,0|2,0,0]=4 5344 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 11a_100000209983_100132301724 [0,2,0,0,0,0|1,0,0]=3 5345 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 1626a_100000209983_100132301724 [0,2,0,0,0,0|1,0,0]=3 5346 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 240690a_100000209983_100132301724 [0,2,0,0,0,0|1,0,0]=3 5347 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 527a_100000209983_100132301724 [0,2,0,0,0,0|1,0,0]=3 5348 B14R0.2225 CCCCNN=C(C)C(C)C(=O)OCC 4a_100025702795_100011215780 [0,2,0,0,0,0|2,0,0]=4 5349 B14R0.2225 CCCCNN=C(C)C(F)C(=O)OCC 4a_100025702795_100011197482 [0,2,0,0,0,0|2,0,0]=4 5350 B14R0.2225 CCCCNNC(=O)C(C)C(=O)OCC 22a_100025702795_100132301724 [0,2,0,0,0,0|1,0,0]=3 5351 B14R0.2225 CCCCOCC(=O)C(C)C(=O)NCC 1458a_100000757543_100000230173 [0,2,0,0,0,0|1,0,0]=3 5352 B14R0.2225 CCCCOCC(=O)C(C)C(=O)OCC 1458a_100000757543_100011216346 [0,2,0,0,0,0|0,0,0]=2 5353 B14R0.2225 CCCCOCC(=O)C(C)C(=O)OCC 1458a_100132301724_100011995733 [0,2,0,0,0,0|0,0,0]=2 5354 B14R0.2225 CCCCOCC(=O)C(F)C(=O)OCC 1458a_100000757543_100000760018 [0,2,0,0,0,0|0,0,0]=2 5355 B14R0.2225 CCCCSCC(=O)C(C)C(=O)NCC 1458a_100000191162_100000230173 [0,2,0,0,0,0|1,1,0]=4 5356 B14R0.2225 CCCCSCC(=O)C(C)C(=O)OCC 1458a_100000191162_100011216346 [0,2,0,0,0,0|0,1,0]=3 5357 B14R0.2225 CCCCSCC(=O)C(F)C(=O)OCC 1458a_100000191162_100000760018 [0,2,0,0,0,0|0,1,0]=3 5358 B14R0.2225 CCCOCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100011215938 [0,2,0,0,0,0|1,0,0]=3 5359 B14R0.2225 CCNC(=O)C(C)C(=O)CCCCCO 1458a_100102619762_100000230173 [0,2,0,0,0,0|2,0,0]=4 5360 B14R0.2225 CCNC(=O)C(C)C(=O)COCCOC 1458a_100000211095_100000230173 [0,2,0,0,0,0|2,0,0]=4 5361 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCC#N 1458a_100132301724_100000211819 [0,2,0,0,0,0|1,0,1]=4 5362 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCCF 1458a_100132301724_100000729378 [0,2,0,0,0,0|1,0,0]=3 5363 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCCO 1458a_100102619762_100011216346 [0,2,0,0,0,0|1,0,0]=3 5364 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCCO 1458a_100132301724_100000746330 [0,2,0,0,0,0|1,0,0]=3 5365 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCOC 1458a_100132301724_100000755781 [0,2,0,0,0,0|1,0,0]=3 5366 B14R0.2225 CCOC(=O)C(C)C(=O)CCOCCO 1458a_100011229844_100011216346 [0,2,0,0,0,0|2,0,0]=4 5367 B14R0.2225 CCOC(=O)C(C)C(=O)CCOCCO 1458a_100132301724_100011215305 [0,2,0,0,0,0|2,0,0]=4 5368 B14R0.2225 CCOC(=O)C(C)C(=O)COCCOC 1458a_100000211095_100011216346 [0,2,0,0,0,0|1,0,0]=3 5369 B14R0.2225 CCOC(=O)C(C)C(=O)NCCCCO 240690a_100000750430_100132301724 [0,2,0,0,0,0|1,0,0]=3 5370 B14R0.2225 CCOC(=O)C(C)C(=O)NCCCCO 527a_100000750430_100132301724 [0,2,0,0,0,0|1,0,0]=3 5371 B14R0.2225 CCOC(=O)C(C)C(=O)NCCCOC 1626a_100150723488_100132301724 [0,2,0,0,0,0|1,0,0]=3 5372 B14R0.2225 CCOC(=O)C(C)C(=O)NCCCOC 240690a_100150723488_100132301724 [0,2,0,0,0,0|1,0,0]=3 5373 B14R0.2225 CCOC(=O)C(C)C(=O)NCCCOC 527a_100150723488_100132301724 [0,2,0,0,0,0|1,0,0]=3 5374 B14R0.2225 CCOC(=O)C(C)C(=O)NCCCSC 11a_100000749238_100132301724 [0,2,0,0,0,0|1,0,0]=3 5375 B14R0.2225 CCOC(=O)C(C)C(=O)NCCCSC 1626a_100000749238_100132301724 [0,2,0,0,0,0|1,0,0]=3 5376 B14R0.2225 CCOC(=O)C(C)C(=O)NCCCSC 240690a_100000749238_100132301724 [0,2,0,0,0,0|1,0,0]=3 5377 B14R0.2225 CCOC(=O)C(C)C(=O)NCCCSC 527a_100000749238_100132301724 [0,2,0,0,0,0|1,0,0]=3 5378 B14R0.2225 CCOC(=O)C(C)C(=O)NCCSCC 11a_100000106463_100132301724 [0,2,0,0,0,0|1,0,0]=3 5379 B14R0.2225 CCOC(=O)C(C)C(=O)NCCSCC 1626a_100000106463_100132301724 [0,2,0,0,0,0|1,0,0]=3 5380 B14R0.2225 CCOC(=O)C(C)C(=O)NCCSCC 240690a_100000106463_100132301724 [0,2,0,0,0,0|1,0,0]=3 5381 B14R0.2225 CCOC(=O)C(C)C(=O)NCCSCC 527a_100000106463_100132301724 [0,2,0,0,0,0|1,0,0]=3 5382 B14R0.2225 CCOC(=O)C(C)C(=O)NNCCOC 22a_100000741390_100132301724 [0,2,0,0,0,0|2,0,0]=4 5383 B14R0.2225 CCOC(=O)C(F)C(=O)CCCCCO 1458a_100102619762_100000760018 [0,2,0,0,0,0|1,0,0]=3 5384 B14R0.2225 CCOC(=O)C(F)C(=O)CCOCCO 1458a_100011229844_100000760018 [0,2,0,0,0,0|2,0,0]=4 5385 B14R0.2225 CCOC(=O)C(F)C(=O)COCCOC 1458a_100000211095_100000760018 [0,2,0,0,0,0|1,0,0]=3 5386 B14R0.2225 CCOCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100012232248 [0,2,0,0,0,0|1,0,0]=3 5387 B14R0.2225 CCOCCNC(=O)C(C)C(=O)OCC 11a_100011200944_100132301724 [0,2,0,0,0,0|1,0,0]=3 5388 B14R0.2225 CCOCCNC(=O)C(C)C(=O)OCC 1626a_102516460346_100132301724 [0,2,0,0,0,0|1,0,0]=3 5389 B14R0.2225 CCOCCNC(=O)C(C)C(=O)OCC 240690a_100011200944_100132301724 [0,2,0,0,0,0|1,0,0]=3 5390 B14R0.2225 CCOCCNC(=O)C(C)C(=O)OCC 527a_100011200944_100132301724 [0,2,0,0,0,0|1,0,0]=3 5391 B14R0.2235 C/C=C(\C)/C(=O)CC(=O)OCCOCC 1458a_100020587367_200000101388 [0,2,0,0,0,0|1,0,1]=4 5392 B14R0.2235 CCC(C)C(=O)CC(=O)NCCCOC 1458a_100011192722_100000183178 [0,2,0,0,0,0|2,0,0]=4 5393 B14R0.2235 CCC(O)C(=O)CC(=O)NCCCOC 1458a_100011196387_100000183178 [0,2,0,0,0,0|2,0,0]=4 5394 B14R0.2235 CCCCC=CC(=O)CC(=O)N(C)CC 1458a_100016266645_100011894763 [0,2,0,0,0,0|2,0,0]=4 5395 B14R0.2235 CCCCCCC(=O)CC(=O)N(C)CC 1458a_100102632555_100011894763 [0,2,0,0,0,0|2,0,0]=4 5396 B14R0.2235 CCCCCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000230301 [0,2,0,0,0,0|2,0,0]=4 5397 B14R0.2235 CCCCCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000230301 [0,2,0,0,0,0|2,0,0]=4 5398 B14R0.2235 CCCCOCC(=O)CC(=O)N(C)CC 1458a_100000757543_100011894763 [0,2,0,0,0,0|1,0,0]=3 5399 B14R0.2235 CCCCOCC(=O)CC(=O)N(C)OC 1458a_100000757543_100000764215 [0,2,0,0,0,0|2,0,0]=4 5400 B14R0.2235 CCCCSCC(=O)CC(=O)N(C)CC 1458a_100000191162_100011894763 [0,2,0,0,0,0|1,1,0]=4 5401 B14R0.2235 CCN(C)C(=O)CC(=O)CCCCCO 1458a_100102619762_100011894763 [0,2,0,0,0,0|2,0,0]=4 5402 B14R0.2235 CCN(C)C(=O)CC(=O)COCCOC 1458a_100000211095_100011894763 [0,2,0,0,0,0|2,0,0]=4 5403 B14R0.2235 CCOCCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_200000101388 [0,2,0,0,0,0|2,0,0]=4 5404 B14R0.2235 CCOCCOC(=O)CC(=O)C(C)CC 1458a_100011192722_200000101388 [0,2,0,0,0,0|1,0,0]=3 5405 B14R0.2235 CCOCCOC(=O)CC(=O)C(C)OC 1458a_100000743197_200000101388 [0,2,0,0,0,0|2,0,0]=4 5406 B14R0.2235 CCOCCOC(=O)CC(=O)C(C)SC 1458a_100000149566_200000101388 [0,2,0,0,0,0|2,0,0]=4 5407 B14R0.2235 CCOCCOC(=O)CC(=O)C(O)CC 1458a_100011196387_200000101388 [0,2,0,0,0,0|1,0,0]=3 5408 B14R0.2235 CCOCCOC(=O)CC(=O)C(O)CO 1458a_100011215603_200000101388 [0,2,0,0,0,0|2,0,0]=4 5409 B14R0.2861 CCNC(=O)NC(=O)COC[C@@H](C)CC 7a_100009816381_100000183762 [0,2,0,0,0,0|2,0,0]=4 5410 B14R0.2861 CCOC(=O)C=C(C)COC[C@@H](C)CC 7a_100009816381_100135422193 [0,2,0,0,0,0|1,0,1]=4 5411 B14R0.2861 CCOC(=O)CC(=O)CCCC(=O)NC 1458a_100000243816_100000741757 [0,2,0,0,0,0|1,0,1]=4 5412 B14R0.2861 CCOC(=O)CC(=O)CCCC(=O)OC 1458a_100000239890_100000188475 [0,2,0,0,0,0|1,0,1]=4 5413 B14R0.2861 CCOC(=O)CC(=O)CCCC(=O)OC 1458a_100000243816_100011218270 [0,2,0,0,0,0|1,0,1]=4 5414 B14R0.2861 CCOC(=O)CC(=O)CCCN(C)CC 1458a_100000243816_100015186262 [0,2,0,0,0,0|1,0,0]=3 5415 B14R0.2861 CCOC(=O)CC(=O)CCCN(C)N=O 1458a_200000076914_100000188475 [0,2,0,0,0,0|2,0,0]=4 5416 B14R0.2861 CCOC(=O)CC(=O)CSCC(=O)CC 62a_100000210311_100000747405 [0,2,0,0,0,0|0,1,1]=4 5417 B14R0.2861 CCOC(=O)CC(=O)CSCC(=O)CC 62a_100000747405_100000210311 [0,2,0,0,0,0|0,1,1]=4 5418 B14R0.2861 CCOC(=O)CC(=O)CSCC(C)CC 62a_100000210311_100000748023 [0,2,0,0,0,0|0,1,0]=3 5419 B14R0.2861 CCOC(=O)CC(=O)CSCC(C)CC 62a_100000748023_100000210311 [0,2,0,0,0,0|0,1,0]=3 5420 B14R0.2861 CCOC(=O)CC(=O)CSCC(O)CC 62a_100000210311_100011218378 [0,2,0,0,0,0|0,1,0]=3 5421 B14R0.2861 CCOC(=O)CC(=O)CSCC(O)CC 62a_100011218378_100000210311 [0,2,0,0,0,0|0,1,0]=3 5422 B14R0.2861 CCOC(=O)CC(=O)CSCC(O)CO 62a_100000210311_100011219619 [0,2,0,0,0,0|1,1,0]=4 5423 B14R0.2861 CCOC(=O)CC(=O)CSCC(O)CO 62a_100011219619_100000210311 [0,2,0,0,0,0|1,1,0]=4 5424 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](C)CC 62a_100000210311_100009816398 [0,2,0,0,0,0|0,1,0]=3 5425 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](C)CC 62a_100009816398_100000210311 [0,2,0,0,0,0|0,1,0]=3 5426 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](C)CO 62a_100000059175_100000210311 [0,2,0,0,0,0|1,1,0]=4 5427 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](C)CO 62a_100000210311_100000059175 [0,2,0,0,0,0|1,1,0]=4 5428 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](O)CF 62a_100000210311_100015614560 [0,2,0,0,0,0|1,1,0]=4 5429 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](O)CF 62a_100015614560_100000210311 [0,2,0,0,0,0|1,1,0]=4 5430 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](O)CO 62a_100000210311_100009815848 [0,2,0,0,0,0|1,1,0]=4 5431 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](O)CO 62a_100009815848_100000210311 [0,2,0,0,0,0|1,1,0]=4 5432 B14R0.2861 CCOC(=O)CC(=O)NCCC(=O)NC 240690a_100000738227_100000243816 [0,2,0,0,0,0|1,0,1]=4 5433 B14R0.2861 CCOC(=O)CC(=O)NCCC(C)CC 240690a_100020591266_100000243816 [0,2,0,0,0,0|1,0,0]=3 5434 B14R0.2861 CCOC(=O)CC(=O)NCCC(C)CO 240690a_106354213184_100000243816 [0,2,0,0,0,0|1,0,0]=3 5435 B14R0.2861 CCOC(=O)CC(=O)NNCC(C)C#N 22a_100000045663_100000243816 [0,2,0,0,0,0|2,0,0]=4 5436 B14R0.2861 CCOC(=O)CC(=O)NNCC(O)CC 22a_100015206393_100000243816 [0,2,0,0,0,0|1,0,0]=3 5437 B14R0.2861 CCOC(=O)CC(C)OCCC(C)CC 7a_100011215188_100009817359 [0,2,0,0,0,0|1,0,1]=4 5438 B14R0.2861 CCOC(=O)CC(C)OCCC(C)OC 7a_100000764861_100009817359 [0,2,0,0,0,0|1,0,1]=4 5439 B14R0.2861 CCOC(=O)C[C@H](O)COC[C@@H](C)CC 7a_100009816381_100000688340 [0,2,0,0,0,0|0,0,2]=4 5440 B14R0.2861 CCOC(=O)NC(=O)COC[C@@H](C)CC 7a_100009816381_100000010344 [0,2,0,0,0,0|1,0,0]=3 5441 B14R0.2861 CCOC(=O)NC(=O)CSCC(C)CC 62a_100000748023_100000010344 [0,2,0,0,0,0|1,1,0]=4 5442 B14R0.2861 CCOC(=O)NC(=O)CSCC(O)CC 62a_100011218378_100000010344 [0,2,0,0,0,0|1,1,0]=4 5443 B14R0.2861 CCOC(=O)NC(=O)CSC[C@@H](C)CC 62a_100009816398_100000010344 [0,2,0,0,0,0|1,1,0]=4 5444 B14R0.2863 C=C(C)CCSCC(=O)CC(=O)OCC 62a_100000210311_100000730704 [0,2,0,0,0,0|0,1,1]=4 5445 B14R0.2863 C=C(C)CCSCC(=O)CC(=O)OCC 62a_100000730704_100000210311 [0,2,0,0,0,0|0,1,1]=4 5446 B14R0.2863 CCCC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000747444 [0,2,0,0,0,0|2,0,0]=4 5447 B14R0.2863 CCNC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000183381 [0,2,0,0,0,0|2,0,0]=4 5448 B14R0.2863 CCNC(=O)NC(=O)COCCC(C)C 7a_100000210254_100000183762 [0,2,0,0,0,0|2,0,0]=4 5449 B14R0.2863 CCOC(=O)C=C(C)COCCC(C)Br 34a_100009893172_100135422193 [0,2,0,0,0,0|1,0,1]=4 5450 B14R0.2863 CCOC(=O)C=C(C)COCCC(C)C 34a_100000210254_100135422193 [0,2,0,0,0,0|1,0,1]=4 5451 B14R0.2863 CCOC(=O)C=C(C)COCCC(C)C 7a_100000210254_100135422193 [0,2,0,0,0,0|1,0,1]=4 5452 B14R0.2863 CCOC(=O)C=C(C)COCC[C@@H](C)N 34a_100000706166_100135422193 [0,2,0,0,0,0|1,0,1]=4 5453 B14R0.2863 CCOC(=O)CC(=O)CCCCB(O)O 1458a_100000243816_200009817182 [0,2,0,0,0,0|2,0,0]=4 5454 B14R0.2863 CCOC(=O)CC(=O)CCCCC(=O)C 1458a_100000243816_100000735457 [0,2,0,0,0,0|1,0,0]=3 5455 B14R0.2863 CCOC(=O)CC(=O)CCCCC(C)C 1458a_100000243816_100011216152 [0,2,0,0,0,0|1,0,0]=3 5456 B14R0.2863 CCOC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000188475 [0,2,0,0,0,0|1,0,0]=3 5457 B14R0.2863 CCOC(=O)CC(=O)CCCNC(=O)C 1458a_100000194741_100000188475 [0,2,0,0,0,0|1,0,1]=4 5458 B14R0.2863 CCOC(=O)CC(=O)CCCOC(=O)C 1458a_100000243816_100000042594 [0,2,0,0,0,0|1,0,1]=4 5459 B14R0.2863 CCOC(=O)CC(=O)CCCOC(=S)C 1458a_100000243816_200135323944 [0,2,0,0,0,0|1,0,1]=4 5460 B14R0.2863 CCOC(=O)CC(=O)CCCSC(=O)C 1458a_100000243816_100000038929 [0,2,0,0,0,0|1,0,1]=4 5461 B14R0.2863 CCOC(=O)CC(=O)CCOCC(F)F 1458a_100000243816_200012177212 [0,2,0,0,0,0|2,0,0]=4 5462 B14R0.2863 CCOC(=O)CC(=O)CSCCC(=O)C 62a_100000053229_100000210311 [0,2,0,0,0,0|0,1,1]=4 5463 B14R0.2863 CCOC(=O)CC(=O)CSCCC(=O)C 62a_100000210311_100000053229 [0,2,0,0,0,0|0,1,1]=4 5464 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)C 62a_100000210311_100000210312 [0,2,0,0,0,0|0,1,0]=3 5465 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)C 62a_100000210312_100000210311 [0,2,0,0,0,0|0,1,0]=3 5466 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)O 62a_100000210311_100012276601 [0,2,0,0,0,0|0,1,0]=3 5467 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)O 62a_100012276601_100000210311 [0,2,0,0,0,0|0,1,0]=3 5468 B14R0.2863 CCOC(=O)CC(=O)CSCCN(C)C 62a_100000210311_100000755713 [0,2,0,0,0,0|1,1,0]=4 5469 B14R0.2863 CCOC(=O)CC(=O)CSCOC(C)C 62a_100000210311_100000709892 [0,2,0,0,0,0|1,1,0]=4 5470 B14R0.2863 CCOC(=O)CC(=O)CSCOC(C)C 62a_100000709892_100000210311 [0,2,0,0,0,0|1,1,0]=4 5471 B14R0.2863 CCOC(=O)CC(=O)NCCCC(=O)N 240690a_100000739312_100000243816 [0,2,0,0,0,0|1,0,1]=4 5472 B14R0.2863 CCOC(=O)CC(=O)NCCCC(C)C 240690a_200000737386_100000243816 [0,2,0,0,0,0|1,0,0]=3 5473 B14R0.2863 CCOC(=O)CC(=O)NCCCN(C)C 240690a_102531767803_100000243816 [0,2,0,0,0,0|1,0,0]=3 5474 B14R0.2863 CCOC(=O)CC(=O)NCCCS(=O)C 240690a_200000753449_100000243816 [0,2,0,0,0,0|1,0,0]=3 5475 B14R0.2863 CCOC(=O)CC(=O)NCCNC(=O)C 240690a_100000209853_100000243816 [0,2,0,0,0,0|1,0,1]=4 5476 B14R0.2863 CCOC(=O)CC(=O)NCCOC(=O)C 240690a_100000724843_100000243816 [0,2,0,0,0,0|1,0,1]=4 5477 B14R0.2863 CCOC(=O)CC(=O)NCCOC(C)C 240690a_100000701111_100000243816 [0,2,0,0,0,0|1,0,0]=3 5478 B14R0.2863 CCOC(=O)CC(=O)NCCSC(=O)C 240690a_100020647217_100000243816 [0,2,0,0,0,0|1,0,1]=4 5479 B14R0.2863 CCOC(=O)CC(=O)NCCSC(C)C 240690a_100000731138_100000243816 [0,2,0,0,0,0|1,0,0]=3 5480 B14R0.2863 CCOC(=O)CC(=O)NNCCN(C)C 22a_100000738145_100000243816 [0,2,0,0,0,0|2,0,0]=4 5481 B14R0.2863 CCOC(=O)CC(C)OCCCC(=O)C 7a_100000759063_100009817359 [0,2,0,0,0,0|1,0,1]=4 5482 B14R0.2863 CCOC(=O)CC(C)OCCCC(C)C 7a_100000210774_100009817359 [0,2,0,0,0,0|1,0,1]=4 5483 B14R0.2863 CCOC(=O)CC(C)OCCOC(C)C 7a_100000211219_100009817359 [0,2,0,0,0,0|1,0,1]=4 5484 B14R0.2863 CCOC(=O)CC(C)OCCSC(C)C 7a_200011212901_100009817359 [0,2,0,0,0,0|1,0,1]=4 5485 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCC(=O)C 7a_100009816390_100011215641 [0,2,0,0,0,0|1,0,1]=4 5486 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCC(C)C 7a_100009816390_100011214892 [0,2,0,0,0,0|1,0,1]=4 5487 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCC(C)O 7a_100009816390_200000718107 [0,2,0,0,0,0|1,0,1]=4 5488 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCN(C)C 7a_100009816390_100000757444 [0,2,0,0,0,0|1,0,1]=4 5489 B14R0.2863 CCOC(=O)C[C@@H](C)OCCOC(C)C 7a_100009816390_100000211751 [0,2,0,0,0,0|1,0,1]=4 5490 B14R0.2863 CCOC(=O)C[C@@H](C)OCCSC(C)C 7a_100009816390_100000730970 [0,2,0,0,0,0|1,0,1]=4 5491 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(C)Br 34a_100009893172_100000688340 [0,2,0,0,0,0|0,0,2]=4 5492 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(C)C 34a_100000210254_100000688340 [0,2,0,0,0,0|0,0,2]=4 5493 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(C)C 7a_100000210254_100000688340 [0,2,0,0,0,0|0,0,2]=4 5494 B14R0.2863 CCOC(=O)C[C@H](O)COCC[C@@H](C)N 34a_100000706166_100000688340 [0,2,0,0,0,0|0,0,2]=4 5495 B14R0.2863 CCOC(=O)NC(=O)COCCC(=O)C 7a_100000759926_100000010344 [0,2,0,0,0,0|1,0,1]=4 5496 B14R0.2863 CCOC(=O)NC(=O)COCCC(C)C 7a_100000210254_100000010344 [0,2,0,0,0,0|1,0,0]=3 5497 B14R0.2863 CCOC(=O)NC(=O)CSCCC(C)C 62a_100000210312_100000010344 [0,2,0,0,0,0|1,1,0]=4 5498 B14R0.2863 CCOC(=O)NC(=O)CSCCC(C)O 62a_100012276601_100000010344 [0,2,0,0,0,0|1,1,0]=4 5499 B14R0.38 CCOC(=O)C[C@@H](CCl)OCCC(C)C 7a_100000688340_100000210626 [0,2,0,0,0,0|1,0,1]=4 5500 B14R0.38 CCOC(=O)C[C@@H](CCl)OCCC(C)O 7a_100000688340_100012276601 [0,2,0,0,0,0|1,0,1]=4 5501 B14R0.119 CCOC(=O)CC(=O)CCN(C)C(C)C 1458a_100015184040_100000188475 [0,2,0,0,0,0|2,0,0]=4 5502 B14R0.119 CCOC(=O)CC(=O)NCC(O)C(C)C 240690a_100000759067_100000243816 [0,2,0,0,0,0|1,0,0]=3 5503 B14R0.125 CCCC(=O)C(C)C(=O)NCCC(C)C 1458a_100000211992_100000735922 [0,2,0,0,0,0|2,0,0]=4 5504 B14R0.125 CCNC(=O)C(C)C(=O)CCCC(C)C 1458a_100011216857_100000230173 [0,2,0,0,0,0|2,0,0]=4 5505 B14R0.125 CCOC(=O)C(C)C(=O)CCCC(=O)C 1458a_100132301724_100011215641 [0,2,0,0,0,0|1,0,1]=4 5506 B14R0.125 CCOC(=O)C(C)C(=O)CCCC(C)C 1458a_100011216857_100011216346 [0,2,0,0,0,0|1,0,0]=3 5507 B14R0.125 CCOC(=O)C(C)C(=O)CCCC(C)C 1458a_100132301724_100011214892 [0,2,0,0,0,0|1,0,0]=3 5508 B14R0.125 CCOC(=O)C(C)C(=O)CCCC(C)O 1458a_100132301724_200000718107 [0,2,0,0,0,0|1,0,0]=3 5509 B14R0.125 CCOC(=O)C(C)C(=O)CCCN(C)C 1458a_100132301724_100000695564 [0,2,0,0,0,0|2,0,0]=4 5510 B14R0.125 CCOC(=O)C(C)C(=O)CCOC(C)C 1458a_100132301724_100000211751 [0,2,0,0,0,0|2,0,0]=4 5511 B14R0.125 CCOC(=O)C(C)C(=O)CCSC(C)C 1458a_100132301724_100000730970 [0,2,0,0,0,0|2,0,0]=4 5512 B14R0.125 CCOC(=O)C(C)C(=O)COCC(C)C 1458a_100011223364_100011216346 [0,2,0,0,0,0|2,0,0]=4 5513 B14R0.125 CCOC(=O)C(C)C(=O)NCCC(C)C 11a_100000210545_100132301724 [0,2,0,0,0,0|1,0,0]=3 5514 B14R0.125 CCOC(=O)C(C)C(=O)NCCC(C)C 1626a_100000210545_100132301724 [0,2,0,0,0,0|1,0,0]=3 5515 B14R0.125 CCOC(=O)C(C)C(=O)NCCC(C)C 240690a_100000210545_100132301724 [0,2,0,0,0,0|1,0,0]=3 5516 B14R0.125 CCOC(=O)C(C)C(=O)NCCC(C)C 527a_100000210545_100132301724 [0,2,0,0,0,0|1,0,0]=3 5517 B14R0.125 CCOC(=O)C(C)C(=O)NCCC(C)O 240690a_200000755665_100132301724 [0,2,0,0,0,0|1,0,0]=3 5518 B14R0.125 CCOC(=O)C(C)C(=O)NCCC(C)O 527a_200000755665_100132301724 [0,2,0,0,0,0|1,0,0]=3 5519 B14R0.125 CCOC(=O)C(C)C(=O)NCCN(C)C 240690a_100000210585_100132301724 [0,2,0,0,0,0|2,0,0]=4 5520 B14R0.125 CCOC(=O)C(C)C(=O)NCCN(C)C 527a_100000210585_100132301724 [0,2,0,0,0,0|2,0,0]=4 5521 B14R0.125 CCOC(=O)C(C)C(=O)NNCC(C)C 22a_100000696102_100132301724 [0,2,0,0,0,0|2,0,0]=4 5522 B14R0.125 CCOC(=O)C(C)C(=O)NNCC(C)O 22a_200000730056_100132301724 [0,2,0,0,0,0|2,0,0]=4 5523 B14R0.125 CCOC(=O)C(F)C(=O)CCCC(C)C 1458a_100011216857_100000760018 [0,2,0,0,0,0|1,0,0]=3 5524 B14R0.125 CCOC(=O)C(F)C(=O)COCC(C)C 1458a_100011223364_100000760018 [0,2,0,0,0,0|2,0,0]=4 5525 B14R0.423 CCOC(=O)CC(=O)CCCC(F)(F)F 1458a_100000243816_100011216173 [0,2,0,0,0,0|2,0,0]=4 5526 B14R0.423 CCOC(=O)CC(=O)CCCC(F)(F)F 1458a_100000764234_100000188475 [0,2,0,0,0,0|2,0,0]=4 5527 B14R0.423 CCOC(=O)CC(=O)CCCS(=O)(=O)C 1458a_100000243816_100000754308 [0,2,0,0,0,0|2,0,0]=4 5528 B14R0.423 CCOC(=O)CC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000188475 [0,2,0,0,0,0|2,0,0]=4 5529 B14R0.423 CCOC(=O)CC(=O)CCC[N+](C)(C)C 1458a_100000243816_100016990835 [0,2,0,0,0,0|2,0,0]=4 5530 B14R0.423 CCOC(=O)CC(=O)CCC[Si](C)(C)C 1458a_100000243816_100011219597 [0,2,0,0,0,0|1,1,0]=4 5531 B14R0.423 CCOC(=O)CC(=O)CSCC(C)(C)C 62a_100000210311_100011219605 [0,2,0,0,0,0|2,0,0]=4 5532 B14R0.423 CCOC(=O)CC(=O)CSCC(C)(C)C 62a_100011219605_100000210311 [0,2,0,0,0,0|2,0,0]=4 5533 B14R0.423 CCOC(=O)CC(=O)CSCC(C)(C)F 62a_100000210311_100011997219 [0,2,0,0,0,0|2,0,0]=4 5534 B14R0.423 CCOC(=O)CC(=O)CSCC(C)(C)F 62a_100011997219_100000210311 [0,2,0,0,0,0|2,0,0]=4 5535 B14R0.423 CCOC(=O)CC(=O)CSCC(C)(C)O 62a_100000210311_100000764493 [0,2,0,0,0,0|2,0,0]=4 5536 B14R0.423 CCOC(=O)CC(=O)CSCC(C)(C)O 62a_100000764493_100000210311 [0,2,0,0,0,0|2,0,0]=4 5537 B14R0.423 CCOC(=O)CC(=O)NCCC(C)(C)C 240690a_100000738805_100000243816 [0,2,0,0,0,0|1,0,0]=3 5538 B14R0.423 CCOC(=O)CC(=O)NCCC(C)(C)F 240690a_100016253952_100000243816 [0,2,0,0,0,0|1,0,0]=3 5539 B14R0.423 CCOC(=O)CC(=O)NCCC(F)(F)F 240690a_100000740434_100000243816 [0,2,0,0,0,0|2,0,0]=4 5540 B14R0.423 CCOC(=O)CC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000243816 [0,2,0,0,0,0|2,0,0]=4 5541 B14R0.423 CCOC(=O)CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000243816 [0,2,0,0,0,0|2,0,0]=4 5542 B14R0.423 CCOC(=O)CC(C)OCCC(C)(C)C 7a_100000765024_100009817359 [0,2,0,0,0,0|1,0,1]=4 5543 B14R0.423 CCOC(=O)C[C@@H](C)OCCC(C)(C)C 7a_100009816390_100000755188 [0,2,0,0,0,0|1,0,1]=4 5544 B14R0.423 CCOC(=O)C[C@@H](C)OCCC(C)(C)O 7a_100009816390_100000702414 [0,2,0,0,0,0|1,0,1]=4 5545 B14R0.426 CC(C)CCCC(=O)CC(=O)NC(C)C 1458a_100011216857_100000183996 [0,2,0,0,0,0|2,0,0]=4 5546 B14R0.426 CC(C)CCCC(=O)CC(=O)OC(C)C 1458a_100011216857_100011215430 [0,2,0,0,0,0|1,0,0]=3 5547 B14R0.426 CC(C)COCC(=O)CC(=O)OC(C)C 1458a_100011223364_100011215430 [0,2,0,0,0,0|2,0,0]=4 5548 B14R0.642 CCN(C)C(=O)CC(=O)CCCC(C)C 1458a_100011216857_100011894763 [0,2,0,0,0,0|2,0,0]=4 5549 B14R0.2211 CCOC(=O)CC(C)(C)OCCC(C)C 7a_100000765344_100000210626 [0,2,0,0,0,0|1,0,1]=4 5550 B14R0.2211 CCOC(=O)CC(C)(C)OCCC(C)O 7a_100000765344_100012276601 [0,2,0,0,0,0|1,0,1]=4 5551 B14R0.2211 CCOC(=O)CS(=O)(=O)NCCC(C)C 270084a_100000210545_100000738689 [0,2,0,0,0,0|2,0,0]=4 5552 B14R0.2211 CCOC(=O)CS(=O)(=O)NCCC(C)C 274078a_100000210545_100000738689 [0,2,0,0,0,0|2,0,0]=4 5553 B14R0.2211 CCOC(=O)CS(=O)(=O)NCCC(C)O 270084a_200000755665_100000738689 [0,2,0,0,0,0|2,0,0]=4 5554 B14R0.2211 CCOC(=O)CS(=O)(=O)NCCC(C)O 274078a_200000755665_100000738689 [0,2,0,0,0,0|2,0,0]=4 5555 B14R0.243 CC(C)(C)OC(=O)CC(=O)CCCCF 1458a_100000033093_100000729493 [0,2,0,0,0,0|2,0,0]=4 5556 B14R0.243 CC(C)(C)OC(=O)CC(=O)CCCCO 1458a_100000033093_100000210776 [0,2,0,0,0,0|2,0,0]=4 5557 B14R0.243 CC(C)(C)OC(=O)CC(=O)CCCCO 1458a_100000695505_100000183872 [0,2,0,0,0,0|2,0,0]=4 5558 B14R0.243 CC(C)(C)OC(=O)CC(=O)NCCCF 11a_100015189416_100000033093 [0,2,0,0,0,0|2,0,0]=4 5559 B14R0.243 CC(C)(C)OC(=O)CC(=O)NCCCF 269946c_100015189416_100000033093 [0,2,0,0,0,0|2,0,0]=4 5560 B14R0.243 CC(C)(C)OC(=O)CC(=O)NCCCO 269946c_100000182051_100000033093 [0,2,0,0,0,0|2,0,0]=4 5561 B14R0.243 CCCC#CC(=O)CC(=O)OC(C)(C)C 1458a_200011218047_100000183872 [0,2,0,0,0,0|1,0,1]=4 5562 B14R0.243 CCCC=CC(=O)CC(=O)OC(C)(C)C 1458a_100000212230_100000183872 [0,2,0,0,0,0|1,0,1]=4 5563 B14R0.243 CCCCCC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_200012276598 [0,2,0,0,0,0|2,0,0]=4 5564 B14R0.243 CCCCCC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_200012276598 [0,2,0,0,0,0|2,0,0]=4 5565 B14R0.243 CCCCCC(=O)CC(=O)NC(C)(C)C 1458a_100000212188_100000182746 [0,2,0,0,0,0|2,0,0]=4 5566 B14R0.243 CCCCCC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_100000210326 [0,2,0,0,0,0|1,0,0]=3 5567 B14R0.243 CCCCCC(=O)CC(=O)OC(C)(C)C 1458a_100000212188_100000183872 [0,2,0,0,0,0|1,0,0]=3 5568 B14R0.243 CCCCCC(=O)CC(=O)O[Si](C)(C)C 1458a_100000212188_200009813336 [0,2,0,0,0,0|1,1,0]=4 5569 B14R0.243 CCCCNC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000182744 [0,2,0,0,0,0|2,0,0]=4 5570 B14R0.243 CCCCNC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000182744 [0,2,0,0,0,0|2,0,0]=4 5571 B14R0.243 CCCCNC(=O)CC(=O)OC(C)(C)C 11a_100000102301_100000033093 [0,2,0,0,0,0|1,0,0]=3 5572 B14R0.243 CCCCNC(=O)CC(=O)OC(C)(C)C 269946c_100000102301_100000033093 [0,2,0,0,0,0|1,0,0]=3 5573 B14R0.243 CCCCOC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000211628 [0,2,0,0,0,0|1,0,0]=3 5574 B14R0.243 CCCCOC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000211628 [0,2,0,0,0,0|1,0,0]=3 5575 B14R0.243 CCCCOC(=O)CC(=O)CC(F)(F)F 1458a_100000245130_100000211628 [0,2,0,0,0,0|2,0,0]=4 5576 B14R0.243 CCCCOC(=O)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000211628 [0,2,0,0,0,0|2,0,0]=4 5577 B14R0.243 CCCCOC(=O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000211628 [0,2,0,0,0,0|2,0,0]=4 5578 B14R0.243 CCCCOC(=O)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000211628 [0,2,0,0,0,0|1,1,0]=4 5579 B14R0.243 CCCCO[C@@H](C)CC(=O)OC(C)(C)C 7a_100000138086_100000210211 [0,2,0,0,0,0|1,0,1]=4 5580 B14R0.243 CCCNNC(=O)CC(=O)OC(C)(C)C 22a_100000740057_100000033093 [0,2,0,0,0,0|2,0,0]=4 5581 B14R0.243 CCCOCC(=O)CC(=O)OC(C)(C)C 1458a_100000745993_100000183872 [0,2,0,0,0,0|2,0,0]=4 5582 B14R0.243 CCCSCC(=O)CC(=O)OC(C)(C)C 1458a_100000217233_100000183872 [0,2,0,0,0,0|2,0,0]=4 5583 B14R0.243 CCCSCC(=O)CC(=O)OC(C)(C)C 62a_100000074303_100000210303 [0,2,0,0,0,0|2,0,0]=4 5584 B14R0.243 CCCSCC(=O)CC(=O)OC(C)(C)C 62a_100000210303_100000074303 [0,2,0,0,0,0|2,0,0]=4 5585 B14R0.243 CCOCCC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_100011215890 [0,2,0,0,0,0|2,0,0]=4 5586 B14R0.243 CCOCCC(=O)CC(=O)OC(C)(C)C 1458a_100000749530_100000183872 [0,2,0,0,0,0|2,0,0]=4 5587 B14R0.243 CCSCCC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_100000757381 [0,2,0,0,0,0|2,0,0]=4 5588 B14R0.243 CCSCCC(=O)CC(=O)OC(C)(C)C 1458a_100000230768_100000183872 [0,2,0,0,0,0|2,0,0]=4 5589 B14R0.243 COCCCC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_100000740836 [0,2,0,0,0,0|2,0,0]=4 5590 B14R0.243 COCCCC(=O)CC(=O)OC(C)(C)C 1458a_100000741012_100000183872 [0,2,0,0,0,0|2,0,0]=4 5591 B14R0.243 COCCNC(=O)CC(=O)OC(C)(C)C 269946c_100000209980_100000033093 [0,2,0,0,0,0|2,0,0]=4 5592 B14R0.243 COCCOC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_200000040189 [0,2,0,0,0,0|2,0,0]=4 5593 B14R0.243 COCCOC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_200000040189 [0,2,0,0,0,0|2,0,0]=4 5594 B14R0.243 CSCCCC(=O)CC(=O)OC(C)(C)C 1458a_100000173376_100000183872 [0,2,0,0,0,0|2,0,0]=4 5595 B14R0.243 CSCCNC(=O)CC(=O)OC(C)(C)C 11a_100020590264_100000033093 [0,2,0,0,0,0|2,0,0]=4 5596 B14R0.243 CSCCNC(=O)CC(=O)OC(C)(C)C 269946c_100020590264_100000033093 [0,2,0,0,0,0|2,0,0]=4 5597 B14R0.526 CCCCCC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_200012276598 [0,2,0,0,0,0|2,0,0]=4 5598 B14R0.526 CCCCCC(=O)CC(=O)N(C)C(C)C 1458a_100000212188_100000230190 [0,2,0,0,0,0|2,0,0]=4 5599 B14R0.526 CCCCCC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_200012276598 [0,2,0,0,0,0|2,0,0]=4 5600 B14R0.526 CCCCNC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000182744 [0,2,0,0,0,0|2,0,0]=4 5601 B14R0.526 CCCCNC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000182744 [0,2,0,0,0,0|2,0,0]=4 5602 B14R0.526 CCCCOC(=O)CC(=O)C(=O)N(C)C 1458a_100011218876_100000211628 [0,2,0,0,0,0|2,0,0]=4 5603 B14R0.526 CCCCOC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000211628 [0,2,0,0,0,0|1,0,0]=3 5604 B14R0.526 CCCCOC(=O)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000211628 [0,2,0,0,0,0|2,0,0]=4 5605 B14R0.526 CCCCOC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000211628 [0,2,0,0,0,0|1,0,0]=3 5606 B14R0.526 COCCOC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_200000040189 [0,2,0,0,0,0|2,0,0]=4 5607 B14R0.526 COCCOC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000040189 [0,2,0,0,0,0|2,0,0]=4 5608 B14R0.1747 CCC(C)CCC(=O)CC(=O)NC(C)C 1458a_100000701222_100000183996 [0,2,0,0,0,0|2,0,0]=4 5609 B14R0.1747 CCC(C)CCC(=O)CC(=O)OC(C)C 1458a_100000701222_100011215430 [0,2,0,0,0,0|1,0,0]=3 5610 B14R0.1747 CCN(C)CCC(=O)CC(=O)OC(C)C 1458a_100000755305_100011215430 [0,2,0,0,0,0|2,0,0]=4 5611 B14R0.1747 CCS(=O)CCC(=O)CC(=O)OC(C)C 1458a_100011387550_100011215430 [0,2,0,0,0,0|2,0,0]=4 5612 B14R0.2380 CCCCCC(=O)C(C)C(=O)NC(C)C 1458a_100000212188_100000195394 [0,2,0,0,0,0|2,0,0]=4 5613 B14R0.2380 CCCCNC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000735917 [0,2,0,0,0,0|2,0,0]=4 5614 B14R0.2380 CCCCNC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000735917 [0,2,0,0,0,0|2,0,0]=4 5615 B14R0.2380 CCCCOC(=O)C(C)C(=O)C=C(C)C 1458a_100000211388_100000759602 [0,2,0,0,0,0|1,0,1]=4 5616 B14R0.2380 CCCCOC(=O)C(C)C(=O)C=C(C)Cl 1458a_200042562850_100000759602 [0,2,0,0,0,0|1,0,1]=4 5617 B14R0.2380 CCCCOC(=O)C(C)C(=O)C=C(C)I 1458a_100025716642_100000759602 [0,2,0,0,0,0|1,0,1]=4 5618 B14R0.2380 CCCCOC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000759602 [0,2,0,0,0,0|1,0,0]=3 5619 B14R0.2380 CCCCOC(=O)C(C)C(=O)CN(C)C 1458a_100000750896_100000759602 [0,2,0,0,0,0|2,0,0]=4 5620 B14R0.2380 CCCCOC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000759602 [0,2,0,0,0,0|1,0,0]=3 5621 B14R0.2380 CCCCOC(=O)C(C)C(=O)C[S+](C)C 1458a_200159257847_100000759602 [0,2,0,0,0,0|2,0,0]=4 5622 B14R0.2208 CCOC(=O)CC(C)(C)OCC(C)CC 7a_100000765344_100000748023 [0,2,0,0,0,0|1,0,1]=4 5623 B14R0.2208 CCOC(=O)CC(C)(C)OCC(O)CC 7a_100000765344_100011218378 [0,2,0,0,0,0|1,0,1]=4 5624 B14R0.2208 CCOC(=O)CC(C)(C)OC[C@@H](C)CC 7a_100000765344_100009816398 [0,2,0,0,0,0|1,0,1]=4 5625 B14R0.2208 CCOC(=O)CS(=O)(=O)NCC(C)CC 270084a_100020588543_100000738689 [0,2,0,0,0,0|2,0,0]=4 5626 B14R0.2208 CCOC(=O)CS(=O)(=O)NCC(C)CC 274078a_100020588543_100000738689 [0,2,0,0,0,0|2,0,0]=4 5627 B14R0.2208 CCOC(=O)CS(=O)(=O)NCC(O)CC 270084a_100011218483_100000738689 [0,2,0,0,0,0|2,0,0]=4 5628 B14R0.2208 CCOC(=O)CS(=O)(=O)NCC(O)CC 274078a_100011218483_100000738689 [0,2,0,0,0,0|2,0,0]=4 5629 B14R0.708 CCOC(=O)C[C@@H](CCl)OCC(C)CC 7a_100000688340_100000748023 [0,2,0,0,0,0|1,0,1]=4 5630 B14R0.708 CCOC(=O)C[C@@H](CCl)OCC(O)CC 7a_100000688340_100011218378 [0,2,0,0,0,0|1,0,1]=4 5631 B14R0.708 CCOC(=O)C[C@@H](CCl)OC[C@@H](C)CC 7a_100000688340_100009816398 [0,2,0,0,0,0|1,0,1]=4 5632 B14R0.2456 CCCCOC(CCC)CC(=O)OCC 7a_100011216533_100000210211 [0,2,0,0,0,0|1,0,1]=4 5633 B14R0.656 CCCCCC(=O)C(C)(C)C(=O)OCC 1458a_100000694683_100000210326 [0,2,0,0,0,0|1,0,0]=3 5634 B14R0.656 CCCCCC(=O)C(C)(O)C(=O)OCC 1458a_200009913003_100000210326 [0,2,0,0,0,0|1,0,0]=3 5635 B14R0.656 CCCCNC(=O)C(C)(C)C(=O)OCC 11a_100000102301_100000694683 [0,2,0,0,0,0|1,0,0]=3 5636 B14R0.656 CCCCNC(=O)C(C)(C)C(=O)OCC 1626a_100000102301_100000694683 [0,2,0,0,0,0|1,0,0]=3 5637 B14R0.656 CCCCNC(=O)C(C)(C)C(=O)OCC 240690a_100000102301_100000694683 [0,2,0,0,0,0|1,0,0]=3 5638 B14R0.656 CCCCNC(=O)C(C)(C)C(=O)OCC 527a_100000102301_100000694683 [0,2,0,0,0,0|1,0,0]=3 5639 B14R0.656 CCCCNC(=O)C(C)(O)C(=O)OCC 240690a_100000102301_200009913003 [0,2,0,0,0,0|1,0,0]=3 5640 B14R0.656 CCCCOC(C)C(C)(C)C(=O)OCC 7a_100011668300_100000210211 [0,2,0,0,0,0|1,0,1]=4 5641 B14R0.656 CCCNNC(=O)C(C)(C)C(=O)OCC 22a_100000740057_100000694683 [0,2,0,0,0,0|2,0,0]=4 5642 B14R0.656 CCCNNC(=O)C(C)(O)C(=O)OCC 22a_100000740057_200009913003 [0,2,0,0,0,0|2,0,0]=4 5643 B14R0.656 CCOC(=O)C(C)(C)C(=O)CCCCF 1458a_100000694683_100000729493 [0,2,0,0,0,0|2,0,0]=4 5644 B14R0.656 CCOC(=O)C(C)(C)C(=O)CCCCO 1458a_100000694683_100000210776 [0,2,0,0,0,0|2,0,0]=4 5645 B14R0.656 CCOC(=O)C(C)(C)C(=O)CCCOC 1458a_100000694683_100000740836 [0,2,0,0,0,0|2,0,0]=4 5646 B14R0.656 CCOC(=O)C(C)(C)C(=O)CCSCC 1458a_100000694683_100000757381 [0,2,0,0,0,0|2,0,0]=4 5647 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCCF 11a_100015189416_100000694683 [0,2,0,0,0,0|2,0,0]=4 5648 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCCF 1626a_100015189416_100000694683 [0,2,0,0,0,0|2,0,0]=4 5649 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCCF 240690a_100015189416_100000694683 [0,2,0,0,0,0|2,0,0]=4 5650 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCCF 527a_100015189416_100000694683 [0,2,0,0,0,0|2,0,0]=4 5651 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCCO 240690a_100000182051_100000694683 [0,2,0,0,0,0|2,0,0]=4 5652 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCCO 527a_100000182051_100000694683 [0,2,0,0,0,0|2,0,0]=4 5653 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCOC 1626a_100000209980_100000694683 [0,2,0,0,0,0|2,0,0]=4 5654 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCOC 240690a_100000209980_100000694683 [0,2,0,0,0,0|2,0,0]=4 5655 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCOC 527a_100000209980_100000694683 [0,2,0,0,0,0|2,0,0]=4 5656 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCSC 11a_100020590264_100000694683 [0,2,0,0,0,0|2,0,0]=4 5657 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCSC 1626a_100020590264_100000694683 [0,2,0,0,0,0|2,0,0]=4 5658 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCSC 240690a_100020590264_100000694683 [0,2,0,0,0,0|2,0,0]=4 5659 B14R0.656 CCOC(=O)C(C)(C)C(=O)NCCSC 527a_100020590264_100000694683 [0,2,0,0,0,0|2,0,0]=4 5660 B14R0.656 CCOC(=O)C(C)(O)C(=O)CCCCF 1458a_200009913003_100000729493 [0,2,0,0,0,0|2,0,0]=4 5661 B14R0.656 CCOC(=O)C(C)(O)C(=O)CCCCO 1458a_200009913003_100000210776 [0,2,0,0,0,0|2,0,0]=4 5662 B14R0.656 CCOC(=O)C(C)(O)C(=O)CCCOC 1458a_200009913003_100000740836 [0,2,0,0,0,0|2,0,0]=4 5663 B14R0.656 CCOC(=O)C(C)(O)C(=O)CCSCC 1458a_200009913003_100000757381 [0,2,0,0,0,0|2,0,0]=4 5664 B14R0.656 CCOC(=O)C(C)(O)C(=O)NCCCF 240690a_100015189416_200009913003 [0,2,0,0,0,0|2,0,0]=4 5665 B14R0.656 CCOC(=O)C(C)(O)C(=O)NCCCO 240690a_100000182051_200009913003 [0,2,0,0,0,0|2,0,0]=4 5666 B14R0.656 CCOC(=O)C(C)(O)C(=O)NCCOC 240690a_100000209980_200009913003 [0,2,0,0,0,0|2,0,0]=4 5667 B14R0.656 CCOC(=O)C(C)(O)C(=O)NCCSC 240690a_100020590264_200009913003 [0,2,0,0,0,0|2,0,0]=4 5668 B14R0.656 CCOCCC(=O)C(C)(C)C(=O)OCC 1458a_100000694683_100011215890 [0,2,0,0,0,0|2,0,0]=4 5669 B14R0.656 CCOCCC(=O)C(C)(O)C(=O)OCC 1458a_200009913003_100011215890 [0,2,0,0,0,0|2,0,0]=4 5670 B14R0.1185 CCNC(=O)C(C)C(=O)CCC(C)CC 1458a_100000701222_100000230173 [0,2,0,0,0,0|2,0,0]=4 5671 B14R0.1185 CCOC(=O)C(C)C(=O)CCC(C)CC 1458a_100000701222_100011216346 [0,2,0,0,0,0|1,0,0]=3 5672 B14R0.1185 CCOC(=O)C(C)C(=O)CCN(C)CC 1458a_100000755305_100011216346 [0,2,0,0,0,0|2,0,0]=4 5673 B14R0.1185 CCOC(=O)C(C)C(=O)CCS(=O)CC 1458a_100011387550_100011216346 [0,2,0,0,0,0|2,0,0]=4 5674 B14R0.1185 CCOC(=O)C(C)C(=O)NCC(C)CC 11a_100020588543_100132301724 [0,2,0,0,0,0|1,0,0]=3 5675 B14R0.1185 CCOC(=O)C(C)C(=O)NCC(C)CC 1626a_100020588543_100132301724 [0,2,0,0,0,0|1,0,0]=3 5676 B14R0.1185 CCOC(=O)C(C)C(=O)NCC(C)CC 240690a_100020588543_100132301724 [0,2,0,0,0,0|1,0,0]=3 5677 B14R0.1185 CCOC(=O)C(C)C(=O)NCC(C)CC 527a_100020588543_100132301724 [0,2,0,0,0,0|1,0,0]=3 5678 B14R0.1185 CCOC(=O)C(C)C(=O)NCC(C)CO 240690a_100000744482_100132301724 [0,2,0,0,0,0|2,0,0]=4 5679 B14R0.1185 CCOC(=O)C(C)C(=O)NCC(C)CO 527a_100000744482_100132301724 [0,2,0,0,0,0|2,0,0]=4 5680 B14R0.1185 CCOC(=O)C(C)C(=O)NCC(O)CC 11a_100011218483_100132301724 [0,2,0,0,0,0|1,0,0]=3 5681 B14R0.1185 CCOC(=O)C(C)C(=O)NCC(O)CC 240690a_100011218483_100132301724 [0,2,0,0,0,0|1,0,0]=3 5682 B14R0.1185 CCOC(=O)C(C)C(=O)NCC(O)CC 527a_100011218483_100132301724 [0,2,0,0,0,0|1,0,0]=3 5683 B14R0.1185 CCOC(=O)C(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100132301724 [0,2,0,0,0,0|2,0,0]=4 5684 B14R0.1185 CCOC(=O)C(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100132301724 [0,2,0,0,0,0|2,0,0]=4 5685 B14R0.1185 CCOC(=O)C(C)C(=O)NC[C@@H](C)OC 240690a_100020591295_100132301724 [0,2,0,0,0,0|2,0,0]=4 5686 B14R0.1185 CCOC(=O)C(C)C(=O)NC[C@@H](C)OC 527a_100020591295_100132301724 [0,2,0,0,0,0|2,0,0]=4 5687 B14R0.1185 CCOC(=O)C(C)C(=O)NC[C@@H](F)CO 240690a_100015665980_100132301724 [0,2,0,0,0,0|2,0,0]=4 5688 B14R0.1185 CCOC(=O)C(C)C(=O)NC[C@@H](F)CO 527a_100015665980_100132301724 [0,2,0,0,0,0|2,0,0]=4 5689 B14R0.1185 CCOC(=O)C(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100132301724 [0,2,0,0,0,0|2,0,0]=4 5690 B14R0.1185 CCOC(=O)C(C)C(=O)NC[C@H](O)CO 527a_100020644852_100132301724 [0,2,0,0,0,0|2,0,0]=4 5691 B14R0.1185 CCOC(=O)C(C)C(=O)NNC(C)CC 22a_100000718999_100132301724 [0,2,0,0,0,0|2,0,0]=4 5692 B14R0.1185 CCOC(=O)C(F)C(=O)CCC(C)CC 1458a_100000701222_100000760018 [0,2,0,0,0,0|1,0,0]=3 5693 B14R0.1185 CCOC(=O)C(F)C(=O)CCN(C)CC 1458a_100000755305_100000760018 [0,2,0,0,0,0|2,0,0]=4 5694 B14R0.1185 CCOC(=O)C(F)C(=O)CCS(=O)CC 1458a_100011387550_100000760018 [0,2,0,0,0,0|2,0,0]=4 5695 B14R0.1354 C/C=C(\C)/C(=O)C(C)C(=O)OCCCC 1458a_100020587367_100000759602 [0,2,0,0,0,0|1,0,1]=4 5696 B14R0.1354 CCCCCC(=O)C(C)C(=O)N(C)CC 1458a_100000212188_200012002205 [0,2,0,0,0,0|2,0,0]=4 5697 B14R0.1354 CCCCNC(=O)C(C)C(=O)C(C)CC 1458a_100011192722_100000735917 [0,2,0,0,0,0|2,0,0]=4 5698 B14R0.1354 CCCCNC(=O)C(C)C(=O)C(O)CC 1458a_100011196387_100000735917 [0,2,0,0,0,0|2,0,0]=4 5699 B14R0.1354 CCCCOC(=O)C(C)C(=O)C(=O)NC 1458a_100011218921_100000759602 [0,2,0,0,0,0|2,0,0]=4 5700 B14R0.1354 CCCCOC(=O)C(C)C(=O)C(C)CC 1458a_100011192722_100000759602 [0,2,0,0,0,0|1,0,0]=3 5701 B14R0.1354 CCCCOC(=O)C(C)C(=O)C(C)OC 1458a_100000743197_100000759602 [0,2,0,0,0,0|2,0,0]=4 5702 B14R0.1354 CCCCOC(=O)C(C)C(=O)C(C)SC 1458a_100000149566_100000759602 [0,2,0,0,0,0|2,0,0]=4 5703 B14R0.1354 CCCCOC(=O)C(C)C(=O)C(O)CC 1458a_100011196387_100000759602 [0,2,0,0,0,0|1,0,0]=3 5704 B14R0.1354 CCCCOC(=O)C(C)C(=O)C(O)CO 1458a_100011215603_100000759602 [0,2,0,0,0,0|2,0,0]=4 5705 B14R0.2245 CCCC#CC(=O)C(CC)C(=O)OCC 1458a_200011218047_100000212269 [0,2,0,0,0,0|1,0,1]=4 5706 B14R0.2245 CCCC#CC(=O)C(SC)C(=O)OCC 1458a_200011218047_100009893047 [0,2,0,0,0,0|1,0,1]=4 5707 B14R0.2245 CCCC=CC(=O)C(CC)C(=O)OCC 1458a_100000212230_100000212269 [0,2,0,0,0,0|1,0,1]=4 5708 B14R0.2245 CCCC=CC(=O)C(SC)C(=O)OCC 1458a_100000212230_100009893047 [0,2,0,0,0,0|1,0,1]=4 5709 B14R0.2245 CCCCCC(=O)C(CC)C(=O)OCC 1458a_100000212188_100000212269 [0,2,0,0,0,0|1,0,0]=3 5710 B14R0.2245 CCCCCC(=O)C(SC)C(=O)OCC 1458a_100000212188_100009893047 [0,2,0,0,0,0|1,0,0]=3 5711 B14R0.2245 CCCCNC(=O)C(CC)C(=O)CCC 1458a_100000211992_200011763471 [0,2,0,0,0,0|2,0,0]=4 5712 B14R0.2245 CCCOCC(=O)C(CC)C(=O)OCC 1458a_100000745993_100000212269 [0,2,0,0,0,0|2,0,0]=4 5713 B14R0.2245 CCCOCC(=O)C(SC)C(=O)OCC 1458a_100000745993_100009893047 [0,2,0,0,0,0|2,0,0]=4 5714 B14R0.2245 CCCSCC(=O)C(CC)C(=O)OCC 1458a_100000217233_100000212269 [0,2,0,0,0,0|2,0,0]=4 5715 B14R0.2245 CCCSCC(=O)C(SC)C(=O)OCC 1458a_100000217233_100009893047 [0,2,0,0,0,0|2,0,0]=4 5716 B14R0.2245 CCOC(=O)C(CC)C(=O)CCCCO 1458a_100000695505_100000212269 [0,2,0,0,0,0|2,0,0]=4 5717 B14R0.2245 CCOC(=O)C(CC)C(=O)CCCOC 1458a_100000741012_100000212269 [0,2,0,0,0,0|2,0,0]=4 5718 B14R0.2245 CCOC(=O)C(CC)C(=O)CCCSC 1458a_100000173376_100000212269 [0,2,0,0,0,0|2,0,0]=4 5719 B14R0.2245 CCOC(=O)C(CC)C(=O)CCSCC 1458a_100000230768_100000212269 [0,2,0,0,0,0|2,0,0]=4 5720 B14R0.2245 CCOC(=O)C(SC)C(=O)CCCCO 1458a_100000695505_100009893047 [0,2,0,0,0,0|2,0,0]=4 5721 B14R0.2245 CCOC(=O)C(SC)C(=O)CCCOC 1458a_100000741012_100009893047 [0,2,0,0,0,0|2,0,0]=4 5722 B14R0.2245 CCOC(=O)C(SC)C(=O)CCCSC 1458a_100000173376_100009893047 [0,2,0,0,0,0|2,0,0]=4 5723 B14R0.2245 CCOC(=O)C(SC)C(=O)CCSCC 1458a_100000230768_100009893047 [0,2,0,0,0,0|2,0,0]=4 5724 B14R0.2245 CCOCCC(=O)C(CC)C(=O)OCC 1458a_100000749530_100000212269 [0,2,0,0,0,0|2,0,0]=4 5725 B14R0.2245 CCOCCC(=O)C(SC)C(=O)OCC 1458a_100000749530_100009893047 [0,2,0,0,0,0|2,0,0]=4 5726 B14R0.234 CCC(CC)C(=O)CC(=O)OCCOC 1458a_100000211163_200000040189 [0,2,0,0,0,0|2,0,0]=4 5727 B14R0.234 CCC(OC)C(=O)CC(=O)OCCOC 1458a_100000747056_200000040189 [0,2,0,0,0,0|2,0,0]=4 5728 B14R0.234 CCCCCC(=O)CC(=O)C(CC)CC 1458a_100000211163_200012276598 [0,2,0,0,0,0|2,0,0]=4 5729 B14R0.234 CCCCCC(=O)CC(=O)C(CC)OC 1458a_100000747056_200012276598 [0,2,0,0,0,0|2,0,0]=4 5730 B14R0.234 CCCCCC(=O)CC(=O)N(CC)CC 1458a_100000212188_100000211521 [0,2,0,0,0,0|2,0,0]=4 5731 B14R0.234 CCCCNC(=O)CC(=O)C(CC)CC 1458a_100000211163_100000182744 [0,2,0,0,0,0|2,0,0]=4 5732 B14R0.234 CCCCNC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000182744 [0,2,0,0,0,0|2,0,0]=4 5733 B14R0.234 CCCCOC(=O)CC(=O)C(CC)CC 1458a_100000211163_100000211628 [0,2,0,0,0,0|1,0,0]=3 5734 B14R0.234 CCCCOC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000211628 [0,2,0,0,0,0|1,0,0]=3 5735 B14R0.234 CCCCOC(=O)CC(=O)C(OC)OC 1458a_100000046285_100000211628 [0,2,0,0,0,0|2,0,0]=4 5736 B14R0.660 CCC(C)(C)C(=O)CC(=O)OCCOC 1458a_100000749717_200000040189 [0,2,0,0,0,0|2,0,0]=4 5737 B14R0.660 CCC(C)(O)C(=O)CC(=O)OCCOC 1458a_100011219770_200000040189 [0,2,0,0,0,0|2,0,0]=4 5738 B14R0.660 CCC(F)(F)C(=O)CC(=O)OCCOC 1458a_100000061896_200000040189 [0,2,0,0,0,0|2,0,0]=4 5739 B14R0.660 CCCCCC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_200012276598 [0,2,0,0,0,0|2,0,0]=4 5740 B14R0.660 CCCCCC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_200012276598 [0,2,0,0,0,0|2,0,0]=4 5741 B14R0.660 CCCCCC(=O)CC(=O)C(F)(F)CC 1458a_100000061896_200012276598 [0,2,0,0,0,0|2,0,0]=4 5742 B14R0.660 CCCCNC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000182744 [0,2,0,0,0,0|2,0,0]=4 5743 B14R0.660 CCCCNC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_100000182744 [0,2,0,0,0,0|2,0,0]=4 5744 B14R0.660 CCCCNC(=O)CC(=O)C(F)(F)CC 1458a_100000061896_100000182744 [0,2,0,0,0,0|2,0,0]=4 5745 B14R0.660 CCCCOC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000211628 [0,2,0,0,0,0|1,0,0]=3 5746 B14R0.660 CCCCOC(=O)CC(=O)C(C)(C)CF 1458a_100000138116_100000211628 [0,2,0,0,0,0|2,0,0]=4 5747 B14R0.660 CCCCOC(=O)CC(=O)C(C)(C)CO 1458a_100000749806_100000211628 [0,2,0,0,0,0|2,0,0]=4 5748 B14R0.660 CCCCOC(=O)CC(=O)C(C)(C)OC 1458a_100000753492_100000211628 [0,2,0,0,0,0|2,0,0]=4 5749 B14R0.660 CCCCOC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_100000211628 [0,2,0,0,0,0|1,0,0]=3 5750 B14R0.660 CCCCOC(=O)CC(=O)C(F)(F)CC 1458a_100000061896_100000211628 [0,2,0,0,0,0|1,0,0]=3 5751 B14R0.1757 CCC(C)CCC(=O)CC(=O)N(C)CC 1458a_100000701222_100011894763 [0,2,0,0,0,0|2,0,0]=4 5752 B14R0.424 CCOC(=O)CC(=O)CCC(OC)OC 1458a_100000243816_100000139399 [0,2,0,0,0,0|2,0,0]=4 5753 B14R0.424 CCOC(=O)CC(=O)CCC(OC)OC 1458a_200000082759_100000188475 [0,2,0,0,0,0|2,0,0]=4 5754 B14R0.424 CCOC(=O)CC(=O)CCN(CC)CC 1458a_100000243816_100000700428 [0,2,0,0,0,0|2,0,0]=4 5755 B14R0.424 CCOC(=O)CC(=O)CCN(CC)CC 1458a_100000750416_100000188475 [0,2,0,0,0,0|2,0,0]=4 5756 B14R0.424 CCOC(=O)CC(=O)COC(CC)CC 1458a_100012002705_100000188475 [0,2,0,0,0,0|2,0,0]=4 5757 B14R0.424 CCOC(=O)CC(=O)CSC(CC)CC 62a_100000210311_100000210505 [0,2,0,0,0,0|2,0,0]=4 5758 B14R0.424 CCOC(=O)CC(=O)CSC(CC)CC 62a_100000210505_100000210311 [0,2,0,0,0,0|2,0,0]=4 5759 B14R0.424 CCOC(=O)CC(=O)NCC(CC)CC 240690a_100102946423_100000243816 [0,2,0,0,0,0|1,0,0]=3 5760 B14R0.424 CCOC(=O)CC(=O)NCC(CC)OC 240690a_100000731041_100000243816 [0,2,0,0,0,0|1,0,0]=3 5761 B14R0.424 CCOC(=O)CC(=O)NCC(OC)OC 240690a_100000210479_100000243816 [0,2,0,0,0,0|2,0,0]=4 5762 B14R0.424 CCOC(=O)CC(=O)NNC(CC)CC 22a_100000756293_100000243816 [0,2,0,0,0,0|2,0,0]=4 5763 B14R0.424 CCOC(=O)CC(C)OCC(CC)CC 7a_100000703878_100009817359 [0,2,0,0,0,0|1,0,1]=4 5764 B14R0.424 CCOC(=O)CC(C)OCC(CC)OC 7a_100011934954_100009817359 [0,2,0,0,0,0|1,0,1]=4 5765 B14R0.424 CCOC(=O)C[C@@H](C)OCC(CC)CC 7a_100009816390_100011215472 [0,2,0,0,0,0|1,0,1]=4 5766 B14R0.425 CCOC(=O)CC(=O)CCS(=O)(=O)CC 1458a_100000243816_100000756660 [0,2,0,0,0,0|2,0,0]=4 5767 B14R0.425 CCOC(=O)CC(=O)CSC(C)(C)CC 62a_100000032637_100000210311 [0,2,0,0,0,0|2,0,0]=4 5768 B14R0.425 CCOC(=O)CC(=O)CSC(C)(C)CC 62a_100000210311_100000032637 [0,2,0,0,0,0|2,0,0]=4 5769 B14R0.425 CCOC(=O)CC(=O)NCC(C)(C)CO 240690a_100020635058_100000243816 [0,2,0,0,0,0|2,0,0]=4 5770 B14R0.425 CCOC(=O)CC(=O)NCC(C)(C)OC 240690a_100000763424_100000243816 [0,2,0,0,0,0|2,0,0]=4 5771 B14R0.425 CCOC(=O)CC(=O)NCC(F)(F)CO 240690a_100000703232_100000243816 [0,2,0,0,0,0|2,0,0]=4 5772 B14R0.425 CCOC(=O)CC(C)OCC(C)(C)CC 7a_100000765029_100009817359 [0,2,0,0,0,0|1,0,1]=4 5773 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [1,0,0,1,0,0|2,0,0]=4 5774 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [1,0,0,1,0,0|1,0,1]=4 5775 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [1,0,0,1,0,0|1,0,1]=4 5776 B12R1.32 CCCC(=O)CC1=CCCCC1 1458a_100000039269_100000210303 [1,0,0,1,0,0|2,0,0]=4 5777 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [1,0,0,1,0,0|1,0,1]=4 5778 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [1,0,0,1,0,0|1,0,1]=4 5779 B12R1.32 CCNC(=O)CC1=CCCCC1 11a_100015525214_100000039269 [1,0,0,1,0,0|2,0,0]=4 5780 B12R1.32 CCNC(=O)CC1=CCCCC1 240690a_100015525214_100000039269 [1,0,0,1,0,0|2,0,0]=4 5781 B12R1.32 CCNC(=O)CC1=CCCCC1 527a_100015525214_100000039269 [1,0,0,1,0,0|2,0,0]=4 5782 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [1,0,0,1,0,0|1,0,1]=4 5783 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [1,0,0,1,0,0|1,0,1]=4 5784 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [1,0,0,1,0,0|1,0,1]=4 5785 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [1,0,0,1,0,0|1,0,1]=4 5786 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [1,0,0,1,0,0|1,0,1]=4 5787 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [1,0,0,1,0,0|2,0,0]=4 5788 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [1,0,0,1,0,0|2,0,0]=4 5789 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [1,0,0,1,0,0|2,0,0]=4 5790 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [1,0,0,1,0,0|2,0,0]=4 5791 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [1,0,0,1,0,0|2,0,0]=4 5792 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [1,0,0,1,0,0|2,0,0]=4 5793 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 2230a_100015229691_200000210301 [1,0,0,1,0,0|1,0,1]=4 5794 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 269982a_100015229691_200000210301 [1,0,0,1,0,0|1,0,1]=4 5795 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 2230a_100015229691_200025704644 [1,0,0,1,0,0|1,0,1]=4 5796 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 269982a_100015229691_200025704644 [1,0,0,1,0,0|1,0,1]=4 5797 B12R1.310 CCOC(=O)CCNCC1CC1 2230a_100000735609_100011206558 [1,0,0,1,0,0|1,0,1]=4 5798 B12R1.310 CCOC(=O)CCNCC1CC1 34a_100000735609_100000765890 [1,0,0,1,0,0|1,0,1]=4 5799 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [1,0,0,1,0,0|0,0,1]=3 5800 B12R1.310 CCOC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000765890 [1,0,0,1,0,0|1,0,1]=4 5801 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000756562_100000765890 [1,0,0,1,0,0|0,1,1]=4 5802 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000765890_100000742324 [1,0,0,1,0,0|0,1,1]=4 5803 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [1,0,0,1,0,0|2,0,0]=4 5804 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [1,0,0,1,0,0|2,0,0]=4 5805 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [1,0,0,1,0,0|2,0,0]=4 5806 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [1,0,0,1,0,0|2,0,0]=4 5807 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [1,0,0,1,0,0|2,0,0]=4 5808 B12R1.311 CCOC(=O)CCN1CCC1C 269982a_100000755817_100011206558 [1,0,0,1,0,0|1,0,1]=4 5809 B12R1.311 CCOC(=O)CCN1CCC1C 34a_100000755817_100000765890 [1,0,0,1,0,0|1,0,1]=4 5810 B12R1.315 CCOC(=O)CCNC1CCC1 2230a_100000749019_100011206558 [1,0,0,1,0,0|1,0,1]=4 5811 B12R1.315 CCOC(=O)CCNC1CCC1 34a_100000749019_100000765890 [1,0,0,1,0,0|1,0,1]=4 5812 B12R1.315 CCOC(=O)CCOC1CCC1 34a_100000748187_100000765890 [1,0,0,1,0,0|0,0,1]=3 5813 B12R1.315 CCOC(=O)CCOC1CSC1 7a_100000072292_100011206558 [1,0,0,1,0,0|1,0,1]=4 5814 B12R1.315 CCOC(=O)CCSC1CCC1 62a_100000765890_100000749161 [1,0,0,1,0,0|0,1,1]=4 5815 B12R1.315 CCOC(=O)CNCC1CCC1 2230a_100000738700_100000188475 [1,0,0,1,0,0|2,0,0]=4 5816 B12R1.315 CCOC(=O)CNCC1CCC1 34a_100000738700_100000188475 [1,0,0,1,0,0|2,0,0]=4 5817 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [1,0,0,1,0,0|2,0,0]=4 5818 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000188475_100000763275 [1,0,0,1,0,0|2,0,0]=4 5819 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000763275_100000188475 [1,0,0,1,0,0|2,0,0]=4 5820 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [1,0,0,1,0,0|2,0,0]=4 5821 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [1,0,0,1,0,0|2,0,0]=4 5822 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [1,0,0,1,0,0|2,0,0]=4 5823 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [1,0,0,1,0,0|2,0,0]=4 5824 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [1,0,0,1,0,0|2,0,0]=4 5825 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [1,0,0,1,0,0|2,0,0]=4 5826 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [1,0,0,1,0,0|2,0,0]=4 5827 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [1,0,0,1,0,0|2,0,0]=4 5828 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [1,0,0,1,0,0|2,0,0]=4 5829 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [1,0,0,1,0,0|2,0,0]=4 5830 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [1,0,0,1,0,0|1,0,1]=4 5831 B12R1.923 CCCCOCCC(=O)C1CC1 1458a_100000210395_100000743108 [1,0,0,1,0,0|1,0,1]=4 5832 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [1,0,0,1,0,0|2,0,0]=4 5833 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [1,0,0,1,0,0|2,0,0]=4 5834 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000188475 [1,0,0,1,0,0|2,0,0]=4 5835 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000188475 [1,0,0,1,0,0|2,0,0]=4 5836 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000188475 [1,0,0,1,0,0|2,0,0]=4 5837 B12R1.53 CCCCC(=O)CC1=CCCC1 1458a_100000050221_100000210211 [1,0,0,1,0,0|2,0,0]=4 5838 B12R1.53 CCCCC(=O)CC1CCCO1 1458a_100000210183_100000203698 [1,0,0,1,0,0|1,0,1]=4 5839 B12R1.53 CCCCC(=O)CC1OCCO1 1458a_100000210183_100000755774 [1,0,0,1,0,0|0,0,2]=4 5840 B12R1.460 C#CCCC(=O)C1CCOC1=O 1458a_100000692101_100000211211 [1,0,0,1,0,0|0,0,2]=4 5841 B12R1.460 C=CCCC(=O)C1CCOC1=O 1458a_100000749702_100000211211 [1,0,0,1,0,0|0,0,2]=4 5842 B12R1.460 CC=CCC(=O)C1CCOC1=O 1458a_100121576822_100000211211 [1,0,0,1,0,0|0,0,2]=4 5843 B12R1.460 CCC#CC(=O)C1CCOC1=O 1458a_100011827653_100000211211 [1,0,0,1,0,0|0,0,2]=4 5844 B12R1.460 CCC=CC(=O)C1CCOC1=O 1458a_100000212282_100000211211 [1,0,0,1,0,0|0,0,2]=4 5845 B12R1.460 CCCCC(=O)C1CCCC1=O 1458a_100000210183_100000211823 [1,0,0,1,0,0|1,0,0]=3 5846 B12R1.460 CCCCC(=O)C1CCOC1=O 1458a_100000210183_100000211211 [1,0,0,1,0,0|0,0,0]=2 5847 B12R1.460 CCCCN(C)C1CCOC1=O 2230a_100000207549_100000211211 [1,0,0,1,0,0|2,0,0]=4 5848 B12R1.460 CCCCN(C)C1CCOC1=O 269982a_100000207549_100000211211 [1,0,0,1,0,0|2,0,0]=4 5849 B12R1.460 CCOCC(=O)C1CCCC1=O 1458a_100000211967_100000211823 [1,0,0,1,0,0|2,0,0]=4 5850 B12R1.460 CCOCC(=O)C1CCOC1=O 1458a_100000211967_100000211211 [1,0,0,1,0,0|1,0,0]=3 5851 B12R1.460 CCSCC(=O)C1CCCC1=O 1458a_100000230394_100000211823 [1,0,0,1,0,0|2,0,0]=4 5852 B12R1.460 CCSCC(=O)C1CCOC1=O 1458a_100000230394_100000211211 [1,0,0,1,0,0|1,0,0]=3 5853 B12R1.460 COCCC(=O)C1CCCC1=O 1458a_100000749529_100000211823 [1,0,0,1,0,0|2,0,0]=4 5854 B12R1.460 COCCC(=O)C1CCOC1=O 1458a_100000749529_100000211211 [1,0,0,1,0,0|1,0,0]=3 5855 B12R1.460 CSCCC(=O)C1CCCC1=O 1458a_100000174002_100000211823 [1,0,0,1,0,0|2,0,0]=4 5856 B12R1.460 CSCCC(=O)C1CCOC1=O 1458a_100000174002_100000211211 [1,0,0,1,0,0|1,0,0]=3 5857 B12R1.460 N#CCCC(=O)C1CCOC1=O 1458a_100011934036_100000211211 [1,0,0,1,0,0|1,0,1]=4 5858 B12R1.519 C=C(CCC)CC(=O)C1CCC1 1458a_100000138376_100000749161 [1,0,0,1,0,0|2,0,0]=4 5859 B12R1.519 C=COC(=O)CC(=O)C1CCC1 1458a_100000209988_100000036128 [1,0,0,1,0,0|0,0,2]=4 5860 B12R1.519 CC#CC(=O)CC(=O)C1CCC1 1458a_100000763181_100000686122 [1,0,0,1,0,0|1,0,1]=4 5861 B12R1.519 CC=CC(=O)CC(=O)C1CCC1 1458a_100000210699_100000686122 [1,0,0,1,0,0|1,0,1]=4 5862 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000209988_100000747444 [1,0,0,1,0,0|1,0,0]=3 5863 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000211992_100000686122 [1,0,0,1,0,0|1,0,0]=3 5864 B12R1.519 CCCC(=O)CC(=O)C1CCO1 1458a_100000089072_100000747444 [1,0,0,1,0,0|2,0,0]=4 5865 B12R1.519 CCCC(=O)CC(=O)C1COC1 1458a_100000758290_100000747444 [1,0,0,1,0,0|2,0,0]=4 5866 B12R1.519 CCCC(=O)CC(=O)N1CCC1 1458a_100000211992_100000185095 [1,0,0,1,0,0|2,0,0]=4 5867 B12R1.519 CCCS(=O)CC(=O)C1CCC1 1458a_100011387404_100000749161 [1,0,0,1,0,0|2,0,0]=4 5868 B12R1.519 CCNC(=O)CC(=O)C1CCC1 1458a_100000209988_100000183381 [1,0,0,1,0,0|1,0,0]=3 5869 B12R1.519 CCNC(=O)CC(=O)C1CCO1 1458a_100000089072_100000183381 [1,0,0,1,0,0|2,0,0]=4 5870 B12R1.519 CCNC(=O)CC(=O)C1COC1 1458a_100000758290_100000183381 [1,0,0,1,0,0|2,0,0]=4 5871 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000209988_100000188475 [1,0,0,1,0,0|0,0,0]=2 5872 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000243816_100000749161 [1,0,0,1,0,0|0,0,0]=2 5873 B12R1.519 CCOC(=O)CC(=O)C1CCO1 1458a_100000089072_100000188475 [1,0,0,1,0,0|1,0,0]=3 5874 B12R1.519 CCOC(=O)CC(=O)C1COC1 1458a_100000243816_100000687716 [1,0,0,1,0,0|1,0,0]=3 5875 B12R1.519 CCOC(=O)CC(=O)C1COC1 1458a_100000758290_100000188475 [1,0,0,1,0,0|1,0,0]=3 5876 B12R1.519 CCOC(=O)CC(=O)N1CCC1 240690a_100000754969_100000243816 [1,0,0,1,0,0|1,0,0]=3 5877 B12R1.519 CCOC(=O)CN(C)C1CCC1 2230a_100000758072_100000188475 [1,0,0,1,0,0|2,0,0]=4 5878 B12R1.519 CCOC(=O)CN(C)C1CCC1 269982a_100000758072_100000188475 [1,0,0,1,0,0|2,0,0]=4 5879 B12R1.519 CCOC(=O)CN(C)C1CCC1 270004a_100000220588_100000241760 [1,0,0,1,0,0|2,0,0]=4 5880 B12R1.519 CCOC(=O)CN(C)C1CCC1 34a_100000758072_100000188475 [1,0,0,1,0,0|2,0,0]=4 5881 B12R1.519 COCC(=O)CC(=O)C1CCC1 1458a_100000210968_100000686122 [1,0,0,1,0,0|2,0,0]=4 5882 B12R1.519 CSCC(=O)CC(=O)C1CCC1 1458a_100000184570_100000686122 [1,0,0,1,0,0|2,0,0]=4 5883 B12R1.519 O=C(CC(=O)C1CCC1)NCO 1458a_100000209988_100000185155 [1,0,0,1,0,0|2,0,0]=4 5884 B12R1.519 O=C(CCO)CC(=O)C1CCC1 1458a_100011216618_100000686122 [1,0,0,1,0,0|2,0,0]=4 5885 B12R1.521 C=C(CCC)CC(=O)CC1CC1 1458a_100000138376_100000742324 [1,0,0,1,0,0|2,0,0]=4 5886 B12R1.521 C=COC(=O)CC(=O)CC1CC1 1458a_100000738066_100000036128 [1,0,0,1,0,0|0,0,2]=4 5887 B12R1.521 CCCC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747444 [1,0,0,1,0,0|1,0,0]=3 5888 B12R1.521 CCCC(=O)CC(=O)NC1CC1 1458a_100000211992_100000182950 [1,0,0,1,0,0|2,0,0]=4 5889 B12R1.521 CCCC(=O)CS(=O)CC1CC1 1458a_100011387478_100000210303 [1,0,0,1,0,0|2,0,0]=4 5890 B12R1.521 CCCS(=O)CC(=O)CC1CC1 1458a_100011387404_100000742324 [1,0,0,1,0,0|2,0,0]=4 5891 B12R1.521 CCNC(=O)CC(=O)CC1CC1 1458a_100000738066_100000183381 [1,0,0,1,0,0|1,0,0]=3 5892 B12R1.521 CCNC(=O)CS(=O)CC1CC1 11a_100015525214_100011387478 [1,0,0,1,0,0|2,0,0]=4 5893 B12R1.521 CCNC(=O)CS(=O)CC1CC1 240690a_100015525214_100011387478 [1,0,0,1,0,0|2,0,0]=4 5894 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000243816_100000742324 [1,0,0,1,0,0|0,0,0]=2 5895 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000738066_100000188475 [1,0,0,1,0,0|0,0,0]=2 5896 B12R1.521 CCOC(=O)CC(=O)CC1CO1 1458a_100000243816_100011216344 [1,0,0,1,0,0|1,0,0]=3 5897 B12R1.521 CCOC(=O)CC(=O)CC1CS1 1458a_100000243816_100000031435 [1,0,0,1,0,0|1,0,0]=3 5898 B12R1.521 CCOC(=O)CC(=O)C[C@@H]1CO1 1458a_100000243816_100000745022 [1,0,0,1,0,0|1,0,0]=3 5899 B12R1.521 CCOC(=O)CC(=O)NC1CC1 240690a_100000212008_100000243816 [1,0,0,1,0,0|1,0,0]=3 5900 B12R1.521 CCOC(=O)CN(C)CC1CC1 2230a_100000220588_100000742324 [1,0,0,1,0,0|2,0,0]=4 5901 B12R1.521 CCOC(=O)CN(C)CC1CC1 2230a_100000741881_100000188475 [1,0,0,1,0,0|2,0,0]=4 5902 B12R1.521 CCOC(=O)CN(C)CC1CC1 269982a_100000741881_100000188475 [1,0,0,1,0,0|2,0,0]=4 5903 B12R1.521 O=C(CC(=O)NCO)CC1CC1 1458a_100000738066_100000185155 [1,0,0,1,0,0|2,0,0]=4 5904 B12R1.841 CCCCC(=O)CC(=O)C1CC1 1458a_100000210183_100000746382 [1,0,0,1,0,0|1,0,0]=3 5905 B12R1.841 CCCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183358 [1,0,0,1,0,0|2,0,0]=4 5906 B12R1.841 CCCOC(=O)CC(=O)C1CC1 1458a_100000210395_200011215008 [1,0,0,1,0,0|1,0,0]=3 5907 B12R1.841 CCCOC(=O)CC(=O)C1CO1 1458a_100000701028_200011215008 [1,0,0,1,0,0|2,0,0]=4 5908 B12R1.841 CCOCC(=O)CC(=O)C1CC1 1458a_100000211967_100000746382 [1,0,0,1,0,0|2,0,0]=4 5909 B12R1.841 CCSCC(=O)CC(=O)C1CC1 1458a_100000230394_100000746382 [1,0,0,1,0,0|2,0,0]=4 5910 B12R1.841 COCCC(=O)CC(=O)C1CC1 1458a_100000749529_100000746382 [1,0,0,1,0,0|2,0,0]=4 5911 B12R1.841 CSCCC(=O)CC(=O)C1CC1 1458a_100000174002_100000746382 [1,0,0,1,0,0|2,0,0]=4 5912 B12R1.1621 CCOC(=O)CN1CC(C1)CC 2230a_100015205115_100000188475 [1,0,0,1,0,0|2,0,0]=4 5913 B12R1.1621 CCOC(=O)CN1CC(C1)CC 269982a_100015205115_100000188475 [1,0,0,1,0,0|2,0,0]=4 5914 B12R1.3418 C=COC(=O)CC(=O)C1CC1C 1458a_100000211227_100000036128 [1,0,0,1,0,0|0,0,2]=4 5915 B12R1.3418 CC1CC1C(=O)CC(=O)NCO 1458a_100000211227_100000185155 [1,0,0,1,0,0|2,0,0]=4 5916 B12R1.3418 CCCC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747444 [1,0,0,1,0,0|1,0,0]=3 5917 B12R1.3418 CCCC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000747444 [1,0,0,1,0,0|2,0,0]=4 5918 B12R1.3418 CCNC(=O)CC(=O)C1CC1C 1458a_100000211227_100000183381 [1,0,0,1,0,0|1,0,0]=3 5919 B12R1.3418 CCNC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000183381 [1,0,0,1,0,0|2,0,0]=4 5920 B12R1.3418 CCOC(=O)CC(=O)C1CC1C 1458a_100000211227_100000188475 [1,0,0,1,0,0|0,0,0]=2 5921 B12R1.3418 CCOC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000188475 [1,0,0,1,0,0|1,0,0]=3 5922 B12R1.35 CC/C=C/CC(=O)C1CCCC1 1458a_100016274230_100000179811 [1,0,0,1,0,0|2,0,0]=4 5923 B12R1.35 CC/C=C/CC(=O)N1CCCC1 240690a_100000188435_100016274230 [1,0,0,1,0,0|2,0,0]=4 5924 B12R1.35 CC/C=C/CC(=O)N1CCCC1 527a_100000188435_100016274230 [1,0,0,1,0,0|2,0,0]=4 5925 B12R1.35 CC/C=C\CC(=O)C1CCCC1 1458a_100000210718_100103147603 [1,0,0,1,0,0|2,0,0]=4 5926 B12R1.35 CCCCCC(=O)C1=COCC1 1458a_100000750620_100000210326 [1,0,0,1,0,0|1,0,1]=4 5927 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100000212188_100000690089 [1,0,0,1,0,0|1,0,1]=4 5928 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100011219752_100000210326 [1,0,0,1,0,0|1,0,1]=4 5929 B12R1.35 CCCCNC(=O)C1=COCC1 1626a_100000102301_100000750620 [1,0,0,1,0,0|1,0,1]=4 5930 B12R1.35 CCCCNC(=O)C1=COCC1 240690a_100000102301_100000750620 [1,0,0,1,0,0|1,0,1]=4 5931 B12R1.35 CCCCNC(=O)C1CCOC1 11a_100000102301_100011219752 [1,0,0,1,0,0|1,0,1]=4 5932 B12R1.35 CCCCNC(=O)C1CCOC1 1626a_100000102301_100011219752 [1,0,0,1,0,0|1,0,1]=4 5933 B12R1.35 CCCCNC(=O)C1CCOC1 240690a_100000102301_100011219752 [1,0,0,1,0,0|1,0,1]=4 5934 B12R1.35 CCCCNC(=O)C1CCOC1 527a_100000102301_100011219752 [1,0,0,1,0,0|1,0,1]=4 5935 B12R1.35 CCOC=CC(=O)C1CCCC1 1458a_100016266692_100000179811 [1,0,0,1,0,0|1,0,1]=4 5936 B12R1.35 CCOC=CC(=O)N1CCCC1 240690a_100000188435_100016266692 [1,0,0,1,0,0|1,0,1]=4 5937 B12R1.35 CCOCCC(=O)C1CCCC1 1458a_100000210718_100011215890 [1,0,0,1,0,0|1,0,1]=4 5938 B12R1.35 CCOCCC(=O)C1CCCC1 1458a_100000749530_100000179811 [1,0,0,1,0,0|1,0,1]=4 5939 B12R1.35 CCOCCC(=O)N1CCCC1 240690a_100000188435_100000749530 [1,0,0,1,0,0|1,0,1]=4 5940 B12R1.35 CCOCCC(=O)N1CCCC1 34a_100121572206_100011194422 [1,0,0,1,0,0|1,0,1]=4 5941 B12R1.35 CCOCCC(=O)N1CCCC1 527a_100000188435_100000749530 [1,0,0,1,0,0|1,0,1]=4 5942 B12R1.481 CC/C=C\CC(=O)C1CC1CC 1458a_200011661523_100103147603 [1,0,0,1,0,0|2,0,0]=4 5943 B12R1.481 CCOCCC(=O)C1CC1CC 1458a_200011661523_100011215890 [1,0,0,1,0,0|1,0,1]=4 5944 B12R1.483 CC/C=C/CC(=O)CC1CCC1 1458a_100016274230_100000763275 [1,0,0,1,0,0|2,0,0]=4 5945 B12R1.483 CC/C=C/CC(=O)NC1CCC1 11a_100000749019_100016274230 [1,0,0,1,0,0|2,0,0]=4 5946 B12R1.483 CC/C=C/CC(=O)NC1CCC1 1626a_100000749019_100016274230 [1,0,0,1,0,0|2,0,0]=4 5947 B12R1.483 CC/C=C/CC(=O)NC1CCC1 240690a_100000749019_100016274230 [1,0,0,1,0,0|2,0,0]=4 5948 B12R1.483 CC/C=C/CC(=O)NC1CCC1 527a_100000749019_100016274230 [1,0,0,1,0,0|2,0,0]=4 5949 B12R1.483 CC/C=C\CC(=O)CC1CCC1 1458a_100000763092_100103147603 [1,0,0,1,0,0|2,0,0]=4 5950 B12R1.483 CCCCCC(=O)CC1CCO1 1458a_100000212188_100000103362 [1,0,0,1,0,0|1,0,1]=4 5951 B12R1.483 CCCCOC(=O)CN1CCC1 269982a_100000754969_100000211628 [1,0,0,1,0,0|2,0,0]=4 5952 B12R1.483 CCOC=CC(=O)CC1CCC1 1458a_100016266692_100000763275 [1,0,0,1,0,0|1,0,1]=4 5953 B12R1.483 CCOC=CC(=O)NC1CCC1 11a_100000749019_100016266692 [1,0,0,1,0,0|1,0,1]=4 5954 B12R1.483 CCOC=CC(=O)NC1CCC1 1626a_100000749019_100016266692 [1,0,0,1,0,0|1,0,1]=4 5955 B12R1.483 CCOC=CC(=O)NC1CCC1 240690a_100000749019_100016266692 [1,0,0,1,0,0|1,0,1]=4 5956 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000749530_100000763275 [1,0,0,1,0,0|1,0,1]=4 5957 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000763092_100011215890 [1,0,0,1,0,0|1,0,1]=4 5958 B12R1.483 CCOCCC(=O)NC1CCC1 11a_100000749019_100000749530 [1,0,0,1,0,0|1,0,1]=4 5959 B12R1.483 CCOCCC(=O)NC1CCC1 1626a_100000749019_100000749530 [1,0,0,1,0,0|1,0,1]=4 5960 B12R1.483 CCOCCC(=O)NC1CCC1 240690a_100000749019_100000749530 [1,0,0,1,0,0|1,0,1]=4 5961 B12R1.483 CCOCCC(=O)NC1CCC1 527a_100000749019_100000749530 [1,0,0,1,0,0|1,0,1]=4 5962 B12R1.484 CC/C=C/CC(=O)CCC1CC1 1458a_100016274230_100000694398 [1,0,0,1,0,0|2,0,0]=4 5963 B12R1.484 CC/C=C/CC(=O)NCC1CC1 11a_100000735609_100016274230 [1,0,0,1,0,0|2,0,0]=4 5964 B12R1.484 CC/C=C/CC(=O)NCC1CC1 1626a_100000735609_100016274230 [1,0,0,1,0,0|2,0,0]=4 5965 B12R1.484 CC/C=C/CC(=O)NCC1CC1 240690a_100000735609_100016274230 [1,0,0,1,0,0|2,0,0]=4 5966 B12R1.484 CC/C=C/CC(=O)NCC1CC1 527a_100000735609_100016274230 [1,0,0,1,0,0|2,0,0]=4 5967 B12R1.484 CC/C=C\CC(=O)CCC1CC1 1458a_100000756386_100103147603 [1,0,0,1,0,0|2,0,0]=4 5968 B12R1.484 CCCCOC(=O)CNC1CC1 34a_100000212008_100000211628 [1,0,0,1,0,0|2,0,0]=4 5969 B12R1.484 CCCCOC(=O)CSC1CC1 62a_100000211628_100000211595 [1,0,0,1,0,0|2,0,0]=4 5970 B12R1.484 CCOC=CC(=O)CCC1CC1 1458a_100016266692_100000694398 [1,0,0,1,0,0|1,0,1]=4 5971 B12R1.484 CCOC=CC(=O)NCC1CC1 11a_100000735609_100016266692 [1,0,0,1,0,0|1,0,1]=4 5972 B12R1.484 CCOC=CC(=O)NCC1CC1 1626a_100000735609_100016266692 [1,0,0,1,0,0|1,0,1]=4 5973 B12R1.484 CCOC=CC(=O)NCC1CC1 240690a_100000735609_100016266692 [1,0,0,1,0,0|1,0,1]=4 5974 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000749530_100000694398 [1,0,0,1,0,0|1,0,1]=4 5975 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000756386_100011215890 [1,0,0,1,0,0|1,0,1]=4 5976 B12R1.484 CCOCCC(=O)NCC1CC1 11a_100000735609_100000749530 [1,0,0,1,0,0|1,0,1]=4 5977 B12R1.484 CCOCCC(=O)NCC1CC1 1626a_100000735609_100000749530 [1,0,0,1,0,0|1,0,1]=4 5978 B12R1.484 CCOCCC(=O)NCC1CC1 240690a_100000735609_100000749530 [1,0,0,1,0,0|1,0,1]=4 5979 B12R1.484 CCOCCC(=O)NCC1CC1 527a_100000735609_100000749530 [1,0,0,1,0,0|1,0,1]=4 5980 B12R1.485 CC/C=C/CC(=O)N1CCC1C 11a_100000755817_100016274230 [1,0,0,1,0,0|2,0,0]=4 5981 B12R1.485 CC/C=C/CC(=O)N1CCC1C 240690a_100000755817_100016274230 [1,0,0,1,0,0|2,0,0]=4 5982 B12R1.485 CC/C=C/CC(=O)N1CCC1C 527a_100000755817_100016274230 [1,0,0,1,0,0|2,0,0]=4 5983 B12R1.485 CCOC=CC(=O)N1CCC1C 11a_100000755817_100016266692 [1,0,0,1,0,0|1,0,1]=4 5984 B12R1.485 CCOC=CC(=O)N1CCC1C 240690a_100000755817_100016266692 [1,0,0,1,0,0|1,0,1]=4 5985 B12R1.485 CCOCCC(=O)N1CCC1C 11a_100000755817_100000749530 [1,0,0,1,0,0|1,0,1]=4 5986 B12R1.485 CCOCCC(=O)N1CCC1C 240690a_100000755817_100000749530 [1,0,0,1,0,0|1,0,1]=4 5987 B12R1.485 CCOCCC(=O)N1CCC1C 527a_100000755817_100000749530 [1,0,0,1,0,0|1,0,1]=4 5988 B12R1.15 CCC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000747405 [1,0,0,1,0,0|1,0,1]=4 5989 B12R1.15 CCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747405 [1,0,0,1,0,0|1,0,0]=3 5990 B12R1.15 CCC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000747405 [1,0,0,1,0,0|2,0,0]=4 5991 B12R1.15 CCC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000747405 [1,0,0,1,0,0|2,0,0]=4 5992 B12R1.15 CCC(=O)CC(=O)N1CCCC1 1458a_100000210414_100000183516 [1,0,0,1,0,0|1,0,0]=3 5993 B12R1.15 CCC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000747405 [1,0,0,1,0,0|2,0,0]=4 5994 B12R1.15 CNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000183359 [1,0,0,1,0,0|2,0,0]=4 5995 B12R1.15 COC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000747449 [1,0,0,1,0,0|1,0,1]=4 5996 B12R1.15 COC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747449 [1,0,0,1,0,0|1,0,0]=3 5997 B12R1.15 COC(=O)CC(=O)C1CCCC1 1458a_100000211351_100000179811 [1,0,0,1,0,0|1,0,0]=3 5998 B12R1.15 COC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000747449 [1,0,0,1,0,0|2,0,0]=4 5999 B12R1.15 COC(=O)CC(=O)C1CCOC1 1458a_100000211351_100000690089 [1,0,0,1,0,0|2,0,0]=4 6000 B12R1.15 COC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000747449 [1,0,0,1,0,0|2,0,0]=4 6001 B12R1.15 COC(=O)CC(=O)N1CCCC1 240690a_100000188435_100000211351 [1,0,0,1,0,0|1,0,0]=3 6002 B12R1.15 COC(=O)CC(=O)N1CCSC1 240690a_100011215254_100000211351 [1,0,0,1,0,0|2,0,0]=4 6003 B12R1.15 COC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000747449 [1,0,0,1,0,0|2,0,0]=4 6004 B12R1.15 O=C(CO)CC(=O)N1CCCC1 1458a_100000210174_100000183516 [1,0,0,1,0,0|2,0,0]=4 6005 B12R1.303 COC(=O)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211351 [1,0,0,1,0,0|2,0,0]=4 6006 B12R1.303 COC(=O)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211351 [1,0,0,1,0,0|2,0,0]=4 6007 B12R1.304 CCC(=O)CC(=O)C=C1CCC1 1458a_100000686340_100000747405 [1,0,0,1,0,0|1,0,1]=4 6008 B12R1.304 CCC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747405 [1,0,0,1,0,0|1,0,0]=3 6009 B12R1.304 CCC(=O)CC(=O)CC1COC1 1458a_100000687760_100000747405 [1,0,0,1,0,0|2,0,0]=4 6010 B12R1.304 CNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000183359 [1,0,0,1,0,0|2,0,0]=4 6011 B12R1.304 COC(=O)CC(=O)C=C1CCC1 1458a_100000686340_100000747449 [1,0,0,1,0,0|1,0,1]=4 6012 B12R1.304 COC(=O)CC(=O)CC1CCC1 1458a_100000211351_100000763275 [1,0,0,1,0,0|1,0,0]=3 6013 B12R1.304 COC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747449 [1,0,0,1,0,0|1,0,0]=3 6014 B12R1.304 COC(=O)CC(=O)CC1CCO1 1458a_100000211351_100000103362 [1,0,0,1,0,0|2,0,0]=4 6015 B12R1.304 COC(=O)CC(=O)CC1COC1 1458a_100000211351_100010264016 [1,0,0,1,0,0|2,0,0]=4 6016 B12R1.304 COC(=O)CC(=O)CC1COC1 1458a_100000687760_100000747449 [1,0,0,1,0,0|2,0,0]=4 6017 B12R1.304 COC(=O)CC(=O)NC1CCC1 240690a_100000749019_100000211351 [1,0,0,1,0,0|1,0,0]=3 6018 B12R1.304 COC(=O)CC(=O)NC1COC1 240690a_100016991112_100000211351 [1,0,0,1,0,0|2,0,0]=4 6019 B12R1.304 COC(=O)CC(=O)NC1CSC1 240690a_100016994217_100000211351 [1,0,0,1,0,0|2,0,0]=4 6020 B12R1.304 COC(=O)CC(C)OC1CCC1 34a_100000748187_100009817358 [1,0,0,1,0,0|1,0,1]=4 6021 B12R1.305 CCC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000747405 [1,0,0,1,0,0|1,0,1]=4 6022 B12R1.305 CCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747405 [1,0,0,1,0,0|1,0,0]=3 6023 B12R1.305 CNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183359 [1,0,0,1,0,0|2,0,0]=4 6024 B12R1.305 COC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000747449 [1,0,0,1,0,0|1,0,1]=4 6025 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000211351_100000694398 [1,0,0,1,0,0|1,0,0]=3 6026 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747449 [1,0,0,1,0,0|1,0,0]=3 6027 B12R1.305 COC(=O)CC(=O)CCC1CO1 1458a_100000211351_100000732470 [1,0,0,1,0,0|2,0,0]=4 6028 B12R1.305 COC(=O)CC(=O)CSC1CC1 62a_100000210525_100000211595 [1,0,0,1,0,0|2,0,0]=4 6029 B12R1.305 COC(=O)CC(=O)NCC1CC1 240690a_100000735609_100000211351 [1,0,0,1,0,0|1,0,0]=3 6030 B12R1.305 COC(=O)CC(=O)NNC1CC1 22a_100000701032_100000211351 [1,0,0,1,0,0|2,0,0]=4 6031 B12R1.305 COC(=O)CC(C)OCC1CC1 34a_100000211283_100009817358 [1,0,0,1,0,0|1,0,1]=4 6032 B12R1.306 COC(=O)CC(=O)N1CCC1C 240690a_100000755817_100000211351 [1,0,0,1,0,0|1,0,0]=3 6033 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [1,0,0,1,0,0|1,0,0]=3 6034 B12R1.365 CCC(=O)C1CCCCNC1=O 1458a_100000210414_100000735217 [1,0,0,1,0,0|1,0,0]=3 6035 B12R1.365 O=C(CO)C1CCCCCC1=O 1458a_100000210174_100000243696 [1,0,0,1,0,0|2,0,0]=4 6036 B12R1.365 O=C(CO)C1CCCCNC1=O 1458a_100000210174_100000735217 [1,0,0,1,0,0|2,0,0]=4 6037 B12R1.1940 CCC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000747405 [1,0,0,1,0,0|1,0,0]=3 6038 B12R1.1940 CCC1CC1C(=O)CC(=O)NC 1458a_200011661523_100000183359 [1,0,0,1,0,0|2,0,0]=4 6039 B12R1.1940 CCC1CC1C(=O)CC(=O)OC 1458a_200011661523_100000747449 [1,0,0,1,0,0|1,0,0]=3 6040 B12R1.55 CCNC(=O)C(=O)C1CCCC1 1458a_200011297158_100000179811 [0,0,0,1,1,0|2,0,0]=4 6041 B12R1.55 CCNC(=O)C(=O)N1CCCC1 240690a_100000188435_200011297158 [0,0,0,1,1,0|2,0,0]=4 6042 B12R1.55 CCNC(=O)C(=O)N1CCCC1 527a_100000188435_200011297158 [0,0,0,1,1,0|2,0,0]=4 6043 B12R1.55 CCOC(=O)C(=O)N1CCCC1 240690a_100000188435_100014798877 [0,0,0,1,1,0|1,0,0]=3 6044 B12R1.55 CCOC(=O)C(=O)N1CCSC1 11a_100011215254_100014798877 [0,0,0,1,1,0|2,0,0]=4 6045 B12R1.55 CCOC(=O)C(=O)N1CCSC1 240690a_100011215254_100014798877 [0,0,0,1,1,0|2,0,0]=4 6046 B12R1.554 CCOC(=O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100014798877 [0,0,0,1,1,0|2,0,0]=4 6047 B12R1.554 CCOC(=O)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100014798877 [0,0,0,1,1,0|2,0,0]=4 6048 B12R1.554 CCOC(=O)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100014798877 [0,0,0,1,1,0|2,0,0]=4 6049 B12R1.554 CCOC(=O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100014798877 [0,0,0,1,1,0|2,0,0]=4 6050 B12R1.555 CCNC(=O)C(=O)CC1CCC1 1458a_200011297158_100000763275 [0,0,0,1,1,0|2,0,0]=4 6051 B12R1.555 CCNC(=O)C(=O)NC1CCC1 1626a_100000749019_200011297158 [0,0,0,1,1,0|2,0,0]=4 6052 B12R1.555 CCNC(=O)C(=O)NC1CCC1 240690a_100000749019_200011297158 [0,0,0,1,1,0|2,0,0]=4 6053 B12R1.555 CCNC(=O)C(=O)NC1CCC1 527a_100000749019_200011297158 [0,0,0,1,1,0|2,0,0]=4 6054 B12R1.555 CCOC(=O)C(=O)CN1CCC1 269982a_100000754969_100000211299 [0,0,0,1,1,0|2,0,0]=4 6055 B12R1.555 CCOC(=O)C(=O)NC1CCC1 11a_100000749019_100014798877 [0,0,0,1,1,0|1,0,0]=3 6056 B12R1.555 CCOC(=O)C(=O)NC1CCC1 1626a_100000749019_100014798877 [0,0,0,1,1,0|1,0,0]=3 6057 B12R1.555 CCOC(=O)C(=O)NC1CCC1 240690a_100000749019_100014798877 [0,0,0,1,1,0|1,0,0]=3 6058 B12R1.555 CCOC(=O)C(=O)NC1COC1 11a_100016991112_100014798877 [0,0,0,1,1,0|2,0,0]=4 6059 B12R1.555 CCOC(=O)C(=O)NC1COC1 1626a_100016991112_100014798877 [0,0,0,1,1,0|2,0,0]=4 6060 B12R1.555 CCOC(=O)C(=O)NC1COC1 240690a_100016991112_100014798877 [0,0,0,1,1,0|2,0,0]=4 6061 B12R1.555 CCOC(=O)C(=O)NC1CSC1 11a_100016994217_100014798877 [0,0,0,1,1,0|2,0,0]=4 6062 B12R1.555 CCOC(=O)C(=O)NC1CSC1 1626a_100016994217_100014798877 [0,0,0,1,1,0|2,0,0]=4 6063 B12R1.555 CCOC(=O)C(=O)NC1CSC1 240690a_100016994217_100014798877 [0,0,0,1,1,0|2,0,0]=4 6064 B12R1.555 CCOC(=O)C(C)OC1CCC1 34a_100000748187_100011216346 [0,0,0,1,1,0|1,0,1]=4 6065 B12R1.555 CCOC(=O)C(F)OC1CCC1 34a_100000748187_100000760018 [0,0,0,1,1,0|1,0,1]=4 6066 B12R1.556 CCNC(=O)C(=O)CCC1CC1 1458a_200011297158_100000694398 [0,0,0,1,1,0|2,0,0]=4 6067 B12R1.556 CCNC(=O)C(=O)NCC1CC1 1626a_100000735609_200011297158 [0,0,0,1,1,0|2,0,0]=4 6068 B12R1.556 CCNC(=O)C(=O)NCC1CC1 240690a_100000735609_200011297158 [0,0,0,1,1,0|2,0,0]=4 6069 B12R1.556 CCNC(=O)C(=O)NCC1CC1 527a_100000735609_200011297158 [0,0,0,1,1,0|2,0,0]=4 6070 B12R1.556 CCOC(=O)C(=O)CSC1CC1 62a_100000211299_100000211595 [0,0,0,1,1,0|2,0,0]=4 6071 B12R1.556 CCOC(=O)C(=O)NCC1CC1 11a_100000735609_100014798877 [0,0,0,1,1,0|1,0,0]=3 6072 B12R1.556 CCOC(=O)C(=O)NCC1CC1 1626a_100000735609_100014798877 [0,0,0,1,1,0|1,0,0]=3 6073 B12R1.556 CCOC(=O)C(=O)NCC1CC1 240690a_100000735609_100014798877 [0,0,0,1,1,0|1,0,0]=3 6074 B12R1.556 CCOC(=O)C(C)OCC1CC1 34a_100000211283_100011216346 [0,0,0,1,1,0|1,0,1]=4 6075 B12R1.556 CCOC(=O)C(F)OCC1CC1 34a_100000211283_100000760018 [0,0,0,1,1,0|1,0,1]=4 6076 B12R1.556 CCOC(=O)[C@H](C)OCC1CC1 7a_100000751109_100000742324 [0,0,0,1,1,0|1,0,1]=4 6077 B12R1.557 CCNC(=O)C(=O)N1CCC1C 240690a_100000755817_200011297158 [0,0,0,1,1,0|2,0,0]=4 6078 B12R1.557 CCNC(=O)C(=O)N1CCC1C 527a_100000755817_200011297158 [0,0,0,1,1,0|2,0,0]=4 6079 B12R1.557 CCOC(=O)C(=O)N1CCC1C 11a_100000755817_100014798877 [0,0,0,1,1,0|1,0,0]=3 6080 B12R1.557 CCOC(=O)C(=O)N1CCC1C 240690a_100000755817_100014798877 [0,0,0,1,1,0|1,0,0]=3 6081 B14R1.20 CCCC#CC(=O)N1CCOC(=O)C1 240690a_100000131268_200011218047 [0,0,0,1,0,1|1,0,1]=4 6082 B14R1.20 CCCC=CC(=O)N1CCOC(=O)C1 11a_100000131268_100000212230 [0,0,0,1,0,1|1,0,1]=4 6083 B14R1.20 CCCC=CC(=O)N1CCOC(=O)C1 240690a_100000131268_100000212230 [0,0,0,1,0,1|1,0,1]=4 6084 B14R1.20 CCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210326 [0,0,0,1,0,1|2,0,0]=4 6085 B14R1.20 CCCCCC(=O)N1CCNC(=O)C1 11a_100000184651_100000212188 [0,0,0,1,0,1|2,0,0]=4 6086 B14R1.20 CCCCCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000212188 [0,0,0,1,0,1|2,0,0]=4 6087 B14R1.20 CCCCCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000212188 [0,0,0,1,0,1|2,0,0]=4 6088 B14R1.20 CCCCCC(=O)N1CCNC(=O)C1 527a_100000184651_100000212188 [0,0,0,1,0,1|2,0,0]=4 6089 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000212188 [0,0,0,1,0,1|1,0,0]=3 6090 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000212188 [0,0,0,1,0,1|1,0,0]=3 6091 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000212188 [0,0,0,1,0,1|1,0,0]=3 6092 B14R1.20 CCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210326 [0,0,0,1,0,1|2,0,0]=4 6093 B14R1.20 CCCCNC(=O)C1CCNC(=O)C1 11a_100000102301_100000132800 [0,0,0,1,0,1|2,0,0]=4 6094 B14R1.20 CCCCNC(=O)C1CCNC(=O)C1 1626a_100000102301_100000132800 [0,0,0,1,0,1|2,0,0]=4 6095 B14R1.20 CCCCNC(=O)C1CCNC(=O)C1 240690a_100000102301_100000132800 [0,0,0,1,0,1|2,0,0]=4 6096 B14R1.20 CCCCNC(=O)C1CCNC(=O)C1 527a_100000102301_100000132800 [0,0,0,1,0,1|2,0,0]=4 6097 B14R1.20 CCCCNC(=O)N1CCNC(=O)C1 2708a_100000102301_100000184651 [0,0,0,1,0,1|2,0,0]=4 6098 B14R1.20 CCCCNC(=O)N1CCNC(=O)C1 273464a_100000102301_100000184651 [0,0,0,1,0,1|2,0,0]=4 6099 B14R1.20 CCCCNC(=O)N1CCOC(=O)C1 2708a_100000102301_100000131268 [0,0,0,1,0,1|1,0,0]=3 6100 B14R1.20 CCCCNC(=O)[C@H]1CCCC(=O)N1 240690a_100000102301_100000705292 [0,0,0,1,0,1|2,0,0]=4 6101 B14R1.20 CCCCNC(=O)[C@H]1CCCC(=O)N1 527a_100000102301_100000705292 [0,0,0,1,0,1|2,0,0]=4 6102 B14R1.20 CCCOCC(=O)N1CCOC(=O)C1 11a_100000131268_100000745993 [0,0,0,1,0,1|2,0,0]=4 6103 B14R1.20 CCCOCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000745993 [0,0,0,1,0,1|2,0,0]=4 6104 B14R1.20 CCCOCC(=O)N1CCOC(=O)C1 527a_100000131268_100000745993 [0,0,0,1,0,1|2,0,0]=4 6105 B14R1.20 CCCSCC(=O)N1CCOC(=O)C1 11a_100000131268_100000217233 [0,0,0,1,0,1|2,0,0]=4 6106 B14R1.20 CCCSCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000217233 [0,0,0,1,0,1|2,0,0]=4 6107 B14R1.20 CCCSCC(=O)N1CCOC(=O)C1 527a_100000131268_100000217233 [0,0,0,1,0,1|2,0,0]=4 6108 B14R1.20 CCOCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000749530 [0,0,0,1,0,1|2,0,0]=4 6109 B14R1.20 CCOCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000749530 [0,0,0,1,0,1|2,0,0]=4 6110 B14R1.20 CCOCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000749530 [0,0,0,1,0,1|2,0,0]=4 6111 B14R1.20 CCSCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000230768 [0,0,0,1,0,1|2,0,0]=4 6112 B14R1.20 CCSCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000230768 [0,0,0,1,0,1|2,0,0]=4 6113 B14R1.20 CCSCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000230768 [0,0,0,1,0,1|2,0,0]=4 6114 B14R1.20 COCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000741012 [0,0,0,1,0,1|2,0,0]=4 6115 B14R1.20 COCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000741012 [0,0,0,1,0,1|2,0,0]=4 6116 B14R1.20 COCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000741012 [0,0,0,1,0,1|2,0,0]=4 6117 B14R1.20 CSCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000173376 [0,0,0,1,0,1|2,0,0]=4 6118 B14R1.20 CSCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000173376 [0,0,0,1,0,1|2,0,0]=4 6119 B14R1.20 CSCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000173376 [0,0,0,1,0,1|2,0,0]=4 6120 B14R1.20 CSCCNC(=O)N1CCOC(=O)C1 2708a_100020590264_100000131268 [0,0,0,1,0,1|2,0,0]=4 6121 B14R1.20 O=C1CN(CCO1)C(=O)NCCCF 2708a_100015189416_100000131268 [0,0,0,1,0,1|2,0,0]=4 6122 B14R1.86 CCCCOC(=O)COC1CCCO1 34a_100000085407_100000211628 [0,0,0,1,0,1|1,0,1]=4 6123 B14R1.100 CCCC(=O)CCC(=O)N1CCCC1 1458a_100000211992_100011194422 [0,0,0,1,0,1|2,0,0]=4 6124 B14R1.100 CCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000210303 [0,0,0,1,0,1|2,0,0]=4 6125 B14R1.100 CCCC(=O)NCC(=O)N1CCCC1 11a_100000751844_100000211992 [0,0,0,1,0,1|2,0,0]=4 6126 B14R1.100 CCCC(=O)NCC(=O)N1CCCC1 1626a_100000751844_100000211992 [0,0,0,1,0,1|2,0,0]=4 6127 B14R1.100 CCCC(=O)NCC(=O)N1CCCC1 240690a_100000751844_100000211992 [0,0,0,1,0,1|2,0,0]=4 6128 B14R1.100 CCCC(=O)NCC(=O)N1CCCC1 527a_100000751844_100000211992 [0,0,0,1,0,1|2,0,0]=4 6129 B14R1.100 CCCC(=O)OCC(=O)C1CCCC1 1458a_100000210718_100000034017 [0,0,0,1,0,1|2,0,0]=4 6130 B14R1.100 CCNC(=O)CCC(=O)C1CCCC1 1458a_100000199579_100000179811 [0,0,0,1,0,1|2,0,0]=4 6131 B14R1.100 CCNC(=O)CCC(=O)N1CCCC1 11a_100015525214_200000187315 [0,0,0,1,0,1|2,0,0]=4 6132 B14R1.100 CCNC(=O)CCC(=O)N1CCCC1 240690a_100000188435_100000199579 [0,0,0,1,0,1|2,0,0]=4 6133 B14R1.100 CCNC(=O)CCC(=O)N1CCCC1 240690a_100015525214_200000187315 [0,0,0,1,0,1|2,0,0]=4 6134 B14R1.100 CCNC(=O)CNC(=O)C1CCCC1 11a_100016988866_100000210718 [0,0,0,1,0,1|2,0,0]=4 6135 B14R1.100 CCNC(=O)CNC(=O)C1CCCC1 1626a_100016988866_100000210718 [0,0,0,1,0,1|2,0,0]=4 6136 B14R1.100 CCNC(=O)CNC(=O)C1CCCC1 240690a_100016988866_100000210718 [0,0,0,1,0,1|2,0,0]=4 6137 B14R1.100 CCNC(=O)CNC(=O)C1CCCC1 527a_100016988866_100000210718 [0,0,0,1,0,1|2,0,0]=4 6138 B14R1.100 CCNC(=O)CNC(=O)N1CCCC1 2708a_100016988866_100000188435 [0,0,0,1,0,1|2,0,0]=4 6139 B14R1.100 CCNC(=O)CNC(=O)N1CCCC1 273464a_100016988866_100000188435 [0,0,0,1,0,1|2,0,0]=4 6140 B14R1.100 CCNC(=O)NCC(=O)N1CCCC1 2708a_100000751844_100015525214 [0,0,0,1,0,1|2,0,0]=4 6141 B14R1.100 CCNC(=O)NCC(=O)N1CCCC1 2708a_100015525214_100000751844 [0,0,0,1,0,1|2,0,0]=4 6142 B14R1.100 CCNC(=O)NCC(=O)N1CCCC1 273464a_100000751844_100015525214 [0,0,0,1,0,1|2,0,0]=4 6143 B14R1.100 CCNC(=O)NCC(=O)N1CCCC1 273464a_100015525214_100000751844 [0,0,0,1,0,1|2,0,0]=4 6144 B14R1.100 CCNC(=O)NCC(=O)N1CCCC1 512a_100000751844_100015525214 [0,0,0,1,0,1|2,0,0]=4 6145 B14R1.100 CCNC(=O)NCC(=O)N1CCCC1 512a_100015525214_100000751844 [0,0,0,1,0,1|2,0,0]=4 6146 B14R1.100 CCOC(=O)C=CC(=O)C1CCCC1 1458a_100000210415_100000179811 [0,0,0,1,0,1|1,0,1]=4 6147 B14R1.100 CCOC(=O)C=CC(=O)N1CCCC1 240690a_100000188435_100000210415 [0,0,0,1,0,1|1,0,1]=4 6148 B14R1.100 CCOC(=O)CCC(=O)C1CCCC1 1458a_100000183558_100000179811 [0,0,0,1,0,1|1,0,0]=3 6149 B14R1.100 CCOC(=O)CCC(=O)C1CCOC1 1458a_100000183558_100000690089 [0,0,0,1,0,1|2,0,0]=4 6150 B14R1.100 CCOC(=O)CCC(=O)N1CCCC1 240690a_100000188435_100000183558 [0,0,0,1,0,1|1,0,0]=3 6151 B14R1.100 CCOC(=O)CCC(=O)N1CCSC1 11a_100011215254_100000183558 [0,0,0,1,0,1|2,0,0]=4 6152 B14R1.100 CCOC(=O)CCC(=O)N1CCSC1 240690a_100011215254_100000183558 [0,0,0,1,0,1|2,0,0]=4 6153 B14R1.100 CCOC(=O)CNC(=O)C1=CCCC1 188690a_100000741813_100000038896 [0,0,0,1,0,1|1,0,1]=4 6154 B14R1.100 CCOC(=O)CNC(=O)C1CCCC1 188690a_100000741813_100000210718 [0,0,0,1,0,1|1,0,0]=3 6155 B14R1.100 CCOC(=O)CNC(=O)C1CCCS1 188690a_100000741813_100012002731 [0,0,0,1,0,1|2,0,0]=4 6156 B14R1.100 CCOC(=O)CNC(=O)C1CCOC1 188690a_100000741813_100011219752 [0,0,0,1,0,1|2,0,0]=4 6157 B14R1.100 CCOC(=O)CNC(=O)[C@@H]1CCCO1 188690a_100000741813_100000686382 [0,0,0,1,0,1|2,0,0]=4 6158 B14R1.100 CCOC(=O)NCC(=O)C1CCCC1 1458a_100000190774_100000179811 [0,0,0,1,0,1|1,0,0]=3 6159 B14R1.100 CCOC(=O)NCC(=O)C1CCOC1 1458a_100000190774_100000690089 [0,0,0,1,0,1|2,0,0]=4 6160 B14R1.100 CCOC(=O)NCC(=O)N1CCCC1 240690a_100000188435_100000190774 [0,0,0,1,0,1|1,0,0]=3 6161 B14R1.100 CCOC(=O)NCC(=O)N1CCCC1 527a_100000188435_100000190774 [0,0,0,1,0,1|1,0,0]=3 6162 B14R1.100 CCOC(=O)NCC(=O)N1CCSC1 11a_100011215254_100000190774 [0,0,0,1,0,1|2,0,0]=4 6163 B14R1.100 CCOC(=O)NCC(=O)N1CCSC1 240690a_100011215254_100000190774 [0,0,0,1,0,1|2,0,0]=4 6164 B14R1.100 CCOC(=O)NCC(=O)N1CCSC1 527a_100011215254_100000190774 [0,0,0,1,0,1|2,0,0]=4 6165 B14R1.597 CCCC(=O)CN1CCCCCC1=O 1458a_100000181294_100000210303 [0,0,0,1,0,1|2,0,0]=4 6166 B14R1.597 CCCC(=O)NC1CCCCNC1=O 11a_100000698827_100000211992 [0,0,0,1,0,1|2,0,0]=4 6167 B14R1.597 CCCC(=O)NC1CCCCNC1=O 1626a_100000698827_100000211992 [0,0,0,1,0,1|2,0,0]=4 6168 B14R1.597 CCCC(=O)NC1CCCCNC1=O 240690a_100000698827_100000211992 [0,0,0,1,0,1|2,0,0]=4 6169 B14R1.597 CCCC(=O)NC1CCCCNC1=O 527a_100000698827_100000211992 [0,0,0,1,0,1|2,0,0]=4 6170 B14R1.597 CCNC(=O)CN1CCCCCC1=O 11a_100015525214_100000181294 [0,0,0,1,0,1|2,0,0]=4 6171 B14R1.597 CCNC(=O)CN1CCCCCC1=O 240690a_100015525214_100000181294 [0,0,0,1,0,1|2,0,0]=4 6172 B14R1.597 CCNC(=O)CN1CCCCCC1=O 527a_100015525214_100000181294 [0,0,0,1,0,1|2,0,0]=4 6173 B14R1.597 CCNC(=O)NC1CCCCNC1=O 2708a_100015525214_100000698827 [0,0,0,1,0,1|2,0,0]=4 6174 B14R1.597 CCNC(=O)NC1CCCCNC1=O 273464a_100000698827_100015525214 [0,0,0,1,0,1|2,0,0]=4 6175 B14R1.597 CCNC(=O)NC1CCCCNC1=O 273464a_100015525214_100000698827 [0,0,0,1,0,1|2,0,0]=4 6176 B14R1.597 CCNC(=O)NC1CCCCNC1=O 512a_100000698827_100015525214 [0,0,0,1,0,1|2,0,0]=4 6177 B14R1.597 CCNC(=O)NC1CCCCNC1=O 512a_100015525214_100000698827 [0,0,0,1,0,1|2,0,0]=4 6178 B14R1.1047 CCCCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210326 [0,0,0,1,0,1|2,0,0]=4 6179 B14R1.1047 CCCCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210326 [0,0,0,1,0,1|1,0,0]=3 6180 B14R1.1047 CCCCCC(=O)NC1CCNC1=O 11a_100016995588_100000212188 [0,0,0,1,0,1|2,0,0]=4 6181 B14R1.1047 CCCCCC(=O)NC1CCNC1=O 1626a_100016995588_100000212188 [0,0,0,1,0,1|2,0,0]=4 6182 B14R1.1047 CCCCCC(=O)NC1CCNC1=O 240690a_100016995588_100000212188 [0,0,0,1,0,1|2,0,0]=4 6183 B14R1.1047 CCCCCC(=O)NC1CCNC1=O 527a_100016995588_100000212188 [0,0,0,1,0,1|2,0,0]=4 6184 B14R1.1047 CCCCCC(=O)NC1CCSC1=O 11a_100000184058_100000212188 [0,0,0,1,0,1|1,1,0]=4 6185 B14R1.1047 CCCCCC(=O)NC1CCSC1=O 1626a_100000184058_100000212188 [0,0,0,1,0,1|1,1,0]=4 6186 B14R1.1047 CCCCCC(=O)NC1CCSC1=O 240690a_100000184058_100000212188 [0,0,0,1,0,1|1,1,0]=4 6187 B14R1.1047 CCCCCC(=O)NC1CCSC1=O 527a_100000184058_100000212188 [0,0,0,1,0,1|1,1,0]=4 6188 B14R1.1047 CCCCNC(=O)CN1CCCC1=O 11a_100000102301_100000189602 [0,0,0,1,0,1|2,0,0]=4 6189 B14R1.1047 CCCCNC(=O)CN1CCCC1=O 1626a_100000102301_100000189602 [0,0,0,1,0,1|2,0,0]=4 6190 B14R1.1047 CCCCNC(=O)CN1CCCC1=O 240690a_100000102301_100000189602 [0,0,0,1,0,1|2,0,0]=4 6191 B14R1.1047 CCCCNC(=O)CN1CCCC1=O 527a_100000102301_100000189602 [0,0,0,1,0,1|2,0,0]=4 6192 B14R1.1047 CCCCNC(=O)CN1CCOC1=O 11a_100000102301_100011227918 [0,0,0,1,0,1|1,0,0]=3 6193 B14R1.1047 CCCCNC(=O)CN1CCOC1=O 1626a_100000102301_100011227918 [0,0,0,1,0,1|1,0,0]=3 6194 B14R1.1047 CCCCNC(=O)CN1CCOC1=O 240690a_100000102301_100011227918 [0,0,0,1,0,1|1,0,0]=3 6195 B14R1.1047 CCCCNC(=O)CN1CCOC1=O 527a_100000102301_100011227918 [0,0,0,1,0,1|1,0,0]=3 6196 B14R1.1047 CCCCNC(=O)NC1CCNC1=O 2708a_100000102301_100016995588 [0,0,0,1,0,1|2,0,0]=4 6197 B14R1.1047 CCCCNC(=O)NC1CCNC1=O 2708a_100016995588_100000102301 [0,0,0,1,0,1|2,0,0]=4 6198 B14R1.1047 CCCCNC(=O)NC1CCNC1=O 273464a_100000102301_100016995588 [0,0,0,1,0,1|2,0,0]=4 6199 B14R1.1047 CCCCNC(=O)NC1CCNC1=O 273464a_100016995588_100000102301 [0,0,0,1,0,1|2,0,0]=4 6200 B14R1.1047 CCCCNC(=O)NC1CCNC1=O 512a_100000102301_100016995588 [0,0,0,1,0,1|2,0,0]=4 6201 B14R1.1047 CCCCNC(=O)NC1CCNC1=O 512a_100016995588_100000102301 [0,0,0,1,0,1|2,0,0]=4 6202 B14R1.1047 CCCCNC(=O)NC1CCSC1=O 2708a_100000102301_100000184058 [0,0,0,1,0,1|1,1,0]=4 6203 B14R1.1047 CCCCNC(=O)NC1CCSC1=O 273464a_100000102301_100000184058 [0,0,0,1,0,1|1,1,0]=4 6204 B14R1.1047 CCCCNC(=O)NC1CCSC1=O 273464a_100000184058_100000102301 [0,0,0,1,0,1|1,1,0]=4 6205 B14R1.1047 CCCCNC(=O)NC1CCSC1=O 512a_100000102301_100000184058 [0,0,0,1,0,1|1,1,0]=4 6206 B14R1.1047 CCCCNC(=O)NC1CCSC1=O 512a_100000184058_100000102301 [0,0,0,1,0,1|1,1,0]=4 6207 B14R1.1047 CCCNNC(=O)CN1CCOC1=O 22a_100000740057_100011227918 [0,0,0,1,0,1|2,0,0]=4 6208 B14R1.1047 CCOCCC(=O)CN1CCOC1=O 1458a_100011227918_100011215890 [0,0,0,1,0,1|2,0,0]=4 6209 B14R1.1047 CCSCCC(=O)CN1CCOC1=O 1458a_100011227918_100000757381 [0,0,0,1,0,1|2,0,0]=4 6210 B14R1.1047 COCCCC(=O)CN1CCOC1=O 1458a_100011227918_100000740836 [0,0,0,1,0,1|2,0,0]=4 6211 B14R1.1047 COCCNC(=O)CN1CCOC1=O 1626a_100000209980_100011227918 [0,0,0,1,0,1|2,0,0]=4 6212 B14R1.1047 COCCNC(=O)CN1CCOC1=O 240690a_100000209980_100011227918 [0,0,0,1,0,1|2,0,0]=4 6213 B14R1.1047 COCCNC(=O)CN1CCOC1=O 527a_100000209980_100011227918 [0,0,0,1,0,1|2,0,0]=4 6214 B14R1.1047 CSCCNC(=O)CN1CCOC1=O 11a_100020590264_100011227918 [0,0,0,1,0,1|2,0,0]=4 6215 B14R1.1047 CSCCNC(=O)CN1CCOC1=O 1626a_100020590264_100011227918 [0,0,0,1,0,1|2,0,0]=4 6216 B14R1.1047 CSCCNC(=O)CN1CCOC1=O 240690a_100020590264_100011227918 [0,0,0,1,0,1|2,0,0]=4 6217 B14R1.1047 CSCCNC(=O)CN1CCOC1=O 527a_100020590264_100011227918 [0,0,0,1,0,1|2,0,0]=4 6218 B14R1.1047 O=C(CCCCF)CN1CCOC1=O 1458a_100011227918_100000729493 [0,0,0,1,0,1|2,0,0]=4 6219 B14R1.1047 O=C(CCCCO)CN1CCOC1=O 1458a_100011227918_100000210776 [0,0,0,1,0,1|2,0,0]=4 6220 B14R1.1047 O=C(CN1CCOC1=O)NCCCF 11a_100015189416_100011227918 [0,0,0,1,0,1|2,0,0]=4 6221 B14R1.1047 O=C(CN1CCOC1=O)NCCCF 1626a_100015189416_100011227918 [0,0,0,1,0,1|2,0,0]=4 6222 B14R1.1047 O=C(CN1CCOC1=O)NCCCF 240690a_100015189416_100011227918 [0,0,0,1,0,1|2,0,0]=4 6223 B14R1.1047 O=C(CN1CCOC1=O)NCCCF 527a_100015189416_100011227918 [0,0,0,1,0,1|2,0,0]=4 6224 B14R1.1047 O=C(CN1CCOC1=O)NCCCO 240690a_100000182051_100011227918 [0,0,0,1,0,1|2,0,0]=4 6225 B14R1.1047 O=C(CN1CCOC1=O)NCCCO 527a_100000182051_100011227918 [0,0,0,1,0,1|2,0,0]=4 6226 B14R1.1423 CCCCCC(=O)COC(=O)C1CC1 1458a_100000212188_100000140896 [0,0,0,1,0,1|2,0,0]=4 6227 B14R1.3263 CCCCOC1CC(C1)C(=O)OCC 7a_100000093532_100000210211 [0,0,0,1,0,1|1,0,1]=4 6228 B14R1.3707 CCCC(=O)OCC(=O)C1CC1CC 1458a_200011661523_100000034017 [0,0,0,1,0,1|2,0,0]=4 6229 B14R1.3707 CCNC(=O)CNC(=O)C1CC1CC 11a_100016988866_200011661523 [0,0,0,1,0,1|2,0,0]=4 6230 B14R1.3707 CCNC(=O)CNC(=O)C1CC1CC 1626a_100016988866_200011661523 [0,0,0,1,0,1|2,0,0]=4 6231 B14R1.3707 CCNC(=O)CNC(=O)C1CC1CC 240690a_100016988866_200011661523 [0,0,0,1,0,1|2,0,0]=4 6232 B14R1.3707 CCNC(=O)CNC(=O)C1CC1CC 527a_100016988866_200011661523 [0,0,0,1,0,1|2,0,0]=4 6233 B14R1.3707 CCOC(=O)CNC(=O)C1CC1CC 188690a_100000741813_200011661523 [0,0,0,1,0,1|1,0,0]=3 6234 B14R1.3708 CCOC(=O)CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000183558 [0,0,0,1,0,1|2,0,0]=4 6235 B14R1.3708 CCOC(=O)CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000183558 [0,0,0,1,0,1|2,0,0]=4 6236 B14R1.3708 CCOC(=O)CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000183558 [0,0,0,1,0,1|2,0,0]=4 6237 B14R1.3708 CCOC(=O)CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000183558 [0,0,0,1,0,1|2,0,0]=4 6238 B14R1.3708 CCOC(=O)NCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000190774 [0,0,0,1,0,1|2,0,0]=4 6239 B14R1.3708 CCOC(=O)NCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000190774 [0,0,0,1,0,1|2,0,0]=4 6240 B14R1.3708 CCOC(=O)NCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000190774 [0,0,0,1,0,1|2,0,0]=4 6241 B14R1.3708 CCOC(=O)NCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000190774 [0,0,0,1,0,1|2,0,0]=4 6242 B14R1.3708 CCOC(=O)NCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000190774 [0,0,0,1,0,1|2,0,0]=4 6243 B14R1.3708 CCOC(=O)NCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000190774 [0,0,0,1,0,1|2,0,0]=4 6244 B14R1.3709 CCCC(=O)OCC(=O)CC1CCC1 1458a_100000763092_100000034017 [0,0,0,1,0,1|2,0,0]=4 6245 B14R1.3709 CCNC(=O)CCC(=O)CC1CCC1 1458a_100000199579_100000763275 [0,0,0,1,0,1|2,0,0]=4 6246 B14R1.3709 CCNC(=O)CCC(=O)NC1CCC1 11a_100000749019_100000199579 [0,0,0,1,0,1|2,0,0]=4 6247 B14R1.3709 CCNC(=O)CCC(=O)NC1CCC1 1626a_100000749019_100000199579 [0,0,0,1,0,1|2,0,0]=4 6248 B14R1.3709 CCNC(=O)CCC(=O)NC1CCC1 240690a_100000749019_100000199579 [0,0,0,1,0,1|2,0,0]=4 6249 B14R1.3709 CCNC(=O)CNC(=O)CC1CCC1 11a_100016988866_100000763092 [0,0,0,1,0,1|2,0,0]=4 6250 B14R1.3709 CCNC(=O)CNC(=O)CC1CCC1 1626a_100016988866_100000763092 [0,0,0,1,0,1|2,0,0]=4 6251 B14R1.3709 CCNC(=O)CNC(=O)CC1CCC1 240690a_100016988866_100000763092 [0,0,0,1,0,1|2,0,0]=4 6252 B14R1.3709 CCNC(=O)CNC(=O)CC1CCC1 527a_100016988866_100000763092 [0,0,0,1,0,1|2,0,0]=4 6253 B14R1.3709 CCNC(=O)CNC(=O)NC1CCC1 2708a_100016988866_100000749019 [0,0,0,1,0,1|2,0,0]=4 6254 B14R1.3709 CCNC(=O)CNC(=O)NC1CCC1 273464a_100000749019_100016988866 [0,0,0,1,0,1|2,0,0]=4 6255 B14R1.3709 CCNC(=O)CNC(=O)NC1CCC1 273464a_100016988866_100000749019 [0,0,0,1,0,1|2,0,0]=4 6256 B14R1.3709 CCNC(=O)CNC(=O)NC1CCC1 512a_100000749019_100016988866 [0,0,0,1,0,1|2,0,0]=4 6257 B14R1.3709 CCNC(=O)CNC(=O)NC1CCC1 512a_100016988866_100000749019 [0,0,0,1,0,1|2,0,0]=4 6258 B14R1.3709 CCOC(=O)C=CC(=O)CC1CCC1 1458a_100000210415_100000763275 [0,0,0,1,0,1|1,0,1]=4 6259 B14R1.3709 CCOC(=O)C=CC(=O)NC1CCC1 1626a_100000749019_100000210415 [0,0,0,1,0,1|1,0,1]=4 6260 B14R1.3709 CCOC(=O)C=CC(=O)NC1CCC1 240690a_100000749019_100000210415 [0,0,0,1,0,1|1,0,1]=4 6261 B14R1.3709 CCOC(=O)CCC(=O)CC1CCC1 1458a_100000183558_100000763275 [0,0,0,1,0,1|1,0,0]=3 6262 B14R1.3709 CCOC(=O)CCC(=O)CC1CCO1 1458a_100000183558_100000103362 [0,0,0,1,0,1|2,0,0]=4 6263 B14R1.3709 CCOC(=O)CCC(=O)CC1COC1 1458a_100000183558_100010264016 [0,0,0,1,0,1|2,0,0]=4 6264 B14R1.3709 CCOC(=O)CCC(=O)NC1CCC1 11a_100000749019_100000183558 [0,0,0,1,0,1|1,0,0]=3 6265 B14R1.3709 CCOC(=O)CCC(=O)NC1CCC1 1626a_100000749019_100000183558 [0,0,0,1,0,1|1,0,0]=3 6266 B14R1.3709 CCOC(=O)CCC(=O)NC1CCC1 240690a_100000749019_100000183558 [0,0,0,1,0,1|1,0,0]=3 6267 B14R1.3709 CCOC(=O)CCC(=O)NC1COC1 11a_100016991112_100000183558 [0,0,0,1,0,1|2,0,0]=4 6268 B14R1.3709 CCOC(=O)CCC(=O)NC1COC1 1626a_100016991112_100000183558 [0,0,0,1,0,1|2,0,0]=4 6269 B14R1.3709 CCOC(=O)CCC(=O)NC1COC1 240690a_100016991112_100000183558 [0,0,0,1,0,1|2,0,0]=4 6270 B14R1.3709 CCOC(=O)CCC(=O)NC1CSC1 11a_100016994217_100000183558 [0,0,0,1,0,1|2,0,0]=4 6271 B14R1.3709 CCOC(=O)CCC(=O)NC1CSC1 1626a_100016994217_100000183558 [0,0,0,1,0,1|2,0,0]=4 6272 B14R1.3709 CCOC(=O)CCC(=O)NC1CSC1 240690a_100016994217_100000183558 [0,0,0,1,0,1|2,0,0]=4 6273 B14R1.3709 CCOC(=O)CCC(C)OC1CCC1 34a_100000748187_100000748298 [0,0,0,1,0,1|1,0,1]=4 6274 B14R1.3709 CCOC(=O)CNC(=O)C=C1CCC1 188690a_100000741813_100000686340 [0,0,0,1,0,1|1,0,1]=4 6275 B14R1.3709 CCOC(=O)CNC(=O)CC1CCC1 188690a_100000741813_100000763092 [0,0,0,1,0,1|1,0,0]=3 6276 B14R1.3709 CCOC(=O)CNC(=O)CC1COC1 188690a_100000741813_100000687760 [0,0,0,1,0,1|2,0,0]=4 6277 B14R1.3709 CCOC(=O)CNC(=O)CN1CCC1 269982a_100000754969_100011215850 [0,0,0,1,0,1|2,0,0]=4 6278 B14R1.3709 CCOC(=O)NCC(=O)CC1CCC1 1458a_100000190774_100000763275 [0,0,0,1,0,1|1,0,0]=3 6279 B14R1.3709 CCOC(=O)NCC(=O)CC1CCO1 1458a_100000190774_100000103362 [0,0,0,1,0,1|2,0,0]=4 6280 B14R1.3709 CCOC(=O)NCC(=O)CC1COC1 1458a_100000190774_100010264016 [0,0,0,1,0,1|2,0,0]=4 6281 B14R1.3709 CCOC(=O)NCC(=O)NC1CCC1 11a_100000749019_100000190774 [0,0,0,1,0,1|1,0,0]=3 6282 B14R1.3709 CCOC(=O)NCC(=O)NC1CCC1 1626a_100000749019_100000190774 [0,0,0,1,0,1|1,0,0]=3 6283 B14R1.3709 CCOC(=O)NCC(=O)NC1CCC1 240690a_100000749019_100000190774 [0,0,0,1,0,1|1,0,0]=3 6284 B14R1.3709 CCOC(=O)NCC(=O)NC1CCC1 527a_100000749019_100000190774 [0,0,0,1,0,1|1,0,0]=3 6285 B14R1.3709 CCOC(=O)NCC(=O)NC1COC1 11a_100016991112_100000190774 [0,0,0,1,0,1|2,0,0]=4 6286 B14R1.3709 CCOC(=O)NCC(=O)NC1COC1 1626a_100016991112_100000190774 [0,0,0,1,0,1|2,0,0]=4 6287 B14R1.3709 CCOC(=O)NCC(=O)NC1COC1 240690a_100016991112_100000190774 [0,0,0,1,0,1|2,0,0]=4 6288 B14R1.3709 CCOC(=O)NCC(=O)NC1COC1 527a_100016991112_100000190774 [0,0,0,1,0,1|2,0,0]=4 6289 B14R1.3709 CCOC(=O)NCC(=O)NC1CSC1 11a_100016994217_100000190774 [0,0,0,1,0,1|2,0,0]=4 6290 B14R1.3709 CCOC(=O)NCC(=O)NC1CSC1 1626a_100016994217_100000190774 [0,0,0,1,0,1|2,0,0]=4 6291 B14R1.3709 CCOC(=O)NCC(=O)NC1CSC1 240690a_100016994217_100000190774 [0,0,0,1,0,1|2,0,0]=4 6292 B14R1.3709 CCOC(=O)NCC(=O)NC1CSC1 527a_100016994217_100000190774 [0,0,0,1,0,1|2,0,0]=4 6293 B14R1.3710 CCCC(=O)OCC(=O)CCC1CC1 1458a_100000756386_100000034017 [0,0,0,1,0,1|2,0,0]=4 6294 B14R1.3710 CCNC(=O)CCC(=O)CCC1CC1 1458a_100000199579_100000694398 [0,0,0,1,0,1|2,0,0]=4 6295 B14R1.3710 CCNC(=O)CCC(=O)NCC1CC1 11a_100000735609_100000199579 [0,0,0,1,0,1|2,0,0]=4 6296 B14R1.3710 CCNC(=O)CCC(=O)NCC1CC1 1626a_100000735609_100000199579 [0,0,0,1,0,1|2,0,0]=4 6297 B14R1.3710 CCNC(=O)CCC(=O)NCC1CC1 240690a_100000735609_100000199579 [0,0,0,1,0,1|2,0,0]=4 6298 B14R1.3710 CCNC(=O)CNC(=O)CCC1CC1 11a_100016988866_100000756386 [0,0,0,1,0,1|2,0,0]=4 6299 B14R1.3710 CCNC(=O)CNC(=O)CCC1CC1 1626a_100016988866_100000756386 [0,0,0,1,0,1|2,0,0]=4 6300 B14R1.3710 CCNC(=O)CNC(=O)CCC1CC1 240690a_100016988866_100000756386 [0,0,0,1,0,1|2,0,0]=4 6301 B14R1.3710 CCNC(=O)CNC(=O)CCC1CC1 527a_100016988866_100000756386 [0,0,0,1,0,1|2,0,0]=4 6302 B14R1.3710 CCNC(=O)CNC(=O)NCC1CC1 2708a_100000735609_100016988866 [0,0,0,1,0,1|2,0,0]=4 6303 B14R1.3710 CCNC(=O)CNC(=O)NCC1CC1 2708a_100016988866_100000735609 [0,0,0,1,0,1|2,0,0]=4 6304 B14R1.3710 CCNC(=O)CNC(=O)NCC1CC1 273464a_100000735609_100016988866 [0,0,0,1,0,1|2,0,0]=4 6305 B14R1.3710 CCNC(=O)CNC(=O)NCC1CC1 273464a_100016988866_100000735609 [0,0,0,1,0,1|2,0,0]=4 6306 B14R1.3710 CCNC(=O)CNC(=O)NCC1CC1 512a_100000735609_100016988866 [0,0,0,1,0,1|2,0,0]=4 6307 B14R1.3710 CCNC(=O)CNC(=O)NCC1CC1 512a_100016988866_100000735609 [0,0,0,1,0,1|2,0,0]=4 6308 B14R1.3710 CCOC(=O)C=CC(=O)CCC1CC1 1458a_100000210415_100000694398 [0,0,0,1,0,1|1,0,1]=4 6309 B14R1.3710 CCOC(=O)C=CC(=O)NCC1CC1 1626a_100000735609_100000210415 [0,0,0,1,0,1|1,0,1]=4 6310 B14R1.3710 CCOC(=O)C=CC(=O)NCC1CC1 240690a_100000735609_100000210415 [0,0,0,1,0,1|1,0,1]=4 6311 B14R1.3710 CCOC(=O)CCC(=O)CCC1CC1 1458a_100000183558_100000694398 [0,0,0,1,0,1|1,0,0]=3 6312 B14R1.3710 CCOC(=O)CCC(=O)CCC1CO1 1458a_100000183558_100000732470 [0,0,0,1,0,1|2,0,0]=4 6313 B14R1.3710 CCOC(=O)CCC(=O)NCC1CC1 11a_100000735609_100000183558 [0,0,0,1,0,1|1,0,0]=3 6314 B14R1.3710 CCOC(=O)CCC(=O)NCC1CC1 1626a_100000735609_100000183558 [0,0,0,1,0,1|1,0,0]=3 6315 B14R1.3710 CCOC(=O)CCC(=O)NCC1CC1 240690a_100000735609_100000183558 [0,0,0,1,0,1|1,0,0]=3 6316 B14R1.3710 CCOC(=O)CCC(C)OCC1CC1 34a_100000211283_100000748298 [0,0,0,1,0,1|1,0,1]=4 6317 B14R1.3710 CCOC(=O)CNC(=O)C=CC1CC1 188690a_100000741813_100102529529 [0,0,0,1,0,1|1,0,1]=4 6318 B14R1.3710 CCOC(=O)CNC(=O)CCC1CC1 188690a_100000741813_100000756386 [0,0,0,1,0,1|1,0,0]=3 6319 B14R1.3710 CCOC(=O)CNC(=O)CNC1CC1 34a_100000212008_100011215850 [0,0,0,1,0,1|2,0,0]=4 6320 B14R1.3710 CCOC(=O)CNC(=O)CSC1CC1 62a_100011215850_100000211595 [0,0,0,1,0,1|2,0,0]=4 6321 B14R1.3710 CCOC(=O)NCC(=O)CCC1CC1 1458a_100000190774_100000694398 [0,0,0,1,0,1|1,0,0]=3 6322 B14R1.3710 CCOC(=O)NCC(=O)CCC1CO1 1458a_100000190774_100000732470 [0,0,0,1,0,1|2,0,0]=4 6323 B14R1.3710 CCOC(=O)NCC(=O)NCC1CC1 11a_100000735609_100000190774 [0,0,0,1,0,1|1,0,0]=3 6324 B14R1.3710 CCOC(=O)NCC(=O)NCC1CC1 1626a_100000735609_100000190774 [0,0,0,1,0,1|1,0,0]=3 6325 B14R1.3710 CCOC(=O)NCC(=O)NCC1CC1 240690a_100000735609_100000190774 [0,0,0,1,0,1|1,0,0]=3 6326 B14R1.3710 CCOC(=O)NCC(=O)NCC1CC1 527a_100000735609_100000190774 [0,0,0,1,0,1|1,0,0]=3 6327 B14R1.3710 CCOC(=O)NCC(=O)NNC1CC1 22a_100000701032_100000190774 [0,0,0,1,0,1|2,0,0]=4 6328 B14R1.3711 CCNC(=O)CCC(=O)N1CCC1C 11a_100000755817_100000199579 [0,0,0,1,0,1|2,0,0]=4 6329 B14R1.3711 CCNC(=O)CCC(=O)N1CCC1C 240690a_100000755817_100000199579 [0,0,0,1,0,1|2,0,0]=4 6330 B14R1.3711 CCNC(=O)CNC(=O)N1CCC1C 2708a_100016988866_100000755817 [0,0,0,1,0,1|2,0,0]=4 6331 B14R1.3711 CCNC(=O)CNC(=O)N1CCC1C 273464a_100016988866_100000755817 [0,0,0,1,0,1|2,0,0]=4 6332 B14R1.3711 CCOC(=O)C=CC(=O)N1CCC1C 240690a_100000755817_100000210415 [0,0,0,1,0,1|1,0,1]=4 6333 B14R1.3711 CCOC(=O)CCC(=O)N1CCC1C 11a_100000755817_100000183558 [0,0,0,1,0,1|1,0,0]=3 6334 B14R1.3711 CCOC(=O)CCC(=O)N1CCC1C 240690a_100000755817_100000183558 [0,0,0,1,0,1|1,0,0]=3 6335 B14R1.3711 CCOC(=O)NCC(=O)N1CCC1C 11a_100000755817_100000190774 [0,0,0,1,0,1|1,0,0]=3 6336 B14R1.3711 CCOC(=O)NCC(=O)N1CCC1C 240690a_100000755817_100000190774 [0,0,0,1,0,1|1,0,0]=3 6337 B14R1.3711 CCOC(=O)NCC(=O)N1CCC1C 527a_100000755817_100000190774 [0,0,0,1,0,1|1,0,0]=3 6338 B14R1.19171 CCOC(=O)CC1C(=O)NCCN1C 2230a_100000013613_200000210301 [0,0,0,1,0,1|2,0,0]=4 6339 B14R1.19171 CCOC(=O)CC1C(=O)NCCN1[13CH3] 2230a_100000013613_200025704644 [0,0,0,1,0,1|2,0,0]=4 6340 B14R1.28 CCCC(=O)CC(=O)C1CCC(C1)O 1458a_100000688591_100000747444 [0,1,0,1,0,0|2,0,0]=4 6341 B14R1.28 CCNC(=O)CC(=O)C1CCC(C1)O 1458a_100000688591_100000183381 [0,1,0,1,0,0|2,0,0]=4 6342 B14R1.28 CCOC(=O)CC(=O)C1CCC(C1)O 1458a_100000688591_100000188475 [0,1,0,1,0,0|1,0,0]=3 6343 B14R1.28 CCOC(=O)CC(=O)C1CCN(C1)C 1458a_100000739633_100000188475 [0,1,0,1,0,0|2,0,0]=4 6344 B14R1.28 CCOC(=O)CC(=O)N1CCC(C1)O 240690a_100011215560_100000243816 [0,1,0,1,0,0|1,0,0]=3 6345 B14R1.28 CCOC(=O)CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000243816 [0,1,0,1,0,0|1,0,0]=3 6346 B14R1.28 CCOC(=O)CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000243816 [0,1,0,1,0,0|1,0,0]=3 6347 B14R1.29 C=COC(=O)CC(=O)C1CCCCO1 1458a_100000748299_100000036128 [0,1,0,1,0,0|0,0,2]=4 6348 B14R1.29 CCCC(=O)CC(=O)C1=CCCCC1 1458a_100000765259_100000747444 [0,1,0,1,0,0|2,0,0]=4 6349 B14R1.29 CCCC(=O)CC(=O)C1=CCCCO1 1458a_100000764163_100000747444 [0,1,0,1,0,0|1,0,1]=4 6350 B14R1.29 CCCC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000747444 [0,1,0,1,0,0|2,0,0]=4 6351 B14R1.29 CCCC(=O)CC(=O)C1CCCCC1 1458a_100000211992_100000241979 [0,1,0,1,0,0|2,0,0]=4 6352 B14R1.29 CCCC(=O)CC(=O)C1CCCCO1 1458a_100000748299_100000747444 [0,1,0,1,0,0|1,0,0]=3 6353 B14R1.29 CCCC(=O)CC(=O)C1CCCOC1 1458a_100000741522_100000747444 [0,1,0,1,0,0|2,0,0]=4 6354 B14R1.29 CCCC(=O)CC(=O)C1CCOCC1 1458a_100000195482_100000747444 [0,1,0,1,0,0|2,0,0]=4 6355 B14R1.29 CCCC(=O)CC(=O)C1CCOCC1 1458a_100000211992_100000689883 [0,1,0,1,0,0|2,0,0]=4 6356 B14R1.29 CCCC(=O)CC(=O)C1CCSCC1 1458a_100000755232_100000747444 [0,1,0,1,0,0|2,0,0]=4 6357 B14R1.29 CCCC(=O)CC(=O)C1COCCO1 1458a_100000045528_100000747444 [0,1,0,1,0,0|2,0,0]=4 6358 B14R1.29 CCCC(=O)CC(=O)N1CCCCC1 1458a_100000211992_100000183409 [0,1,0,1,0,0|2,0,0]=4 6359 B14R1.29 CCCC(=O)CC(=O)N1CCOCC1 1458a_100000211992_100000183410 [0,1,0,1,0,0|2,0,0]=4 6360 B14R1.29 CCCC(=O)CC(=O)N1CCOCC1 1458a_100011623754_100000210303 [0,1,0,1,0,0|2,0,0]=4 6361 B14R1.29 CCNC(=O)CC(=O)C1=CCCCC1 1458a_100000765259_100000183381 [0,1,0,1,0,0|2,0,0]=4 6362 B14R1.29 CCNC(=O)CC(=O)C1=CCCCO1 1458a_100000764163_100000183381 [0,1,0,1,0,0|1,0,1]=4 6363 B14R1.29 CCNC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000183381 [0,1,0,1,0,0|2,0,0]=4 6364 B14R1.29 CCNC(=O)CC(=O)C1CCCCO1 1458a_100000748299_100000183381 [0,1,0,1,0,0|1,0,0]=3 6365 B14R1.29 CCNC(=O)CC(=O)C1CCCOC1 1458a_100000741522_100000183381 [0,1,0,1,0,0|2,0,0]=4 6366 B14R1.29 CCNC(=O)CC(=O)C1CCOCC1 1458a_100000195482_100000183381 [0,1,0,1,0,0|2,0,0]=4 6367 B14R1.29 CCNC(=O)CC(=O)C1CCSCC1 1458a_100000755232_100000183381 [0,1,0,1,0,0|2,0,0]=4 6368 B14R1.29 CCNC(=O)CC(=O)C1COCCO1 1458a_100000045528_100000183381 [0,1,0,1,0,0|2,0,0]=4 6369 B14R1.29 CCNC(=O)CC(=O)N1CCOCC1 11a_100015525214_100011623754 [0,1,0,1,0,0|2,0,0]=4 6370 B14R1.29 CCNC(=O)CC(=O)N1CCOCC1 240690a_100015525214_100011623754 [0,1,0,1,0,0|2,0,0]=4 6371 B14R1.29 CCOC(=O)CC(=O)C1=CCCCC1 1458a_100000765259_100000188475 [0,1,0,1,0,0|1,0,0]=3 6372 B14R1.29 CCOC(=O)CC(=O)C1=CCCCO1 1458a_100000764163_100000188475 [0,1,0,1,0,0|0,0,1]=3 6373 B14R1.29 CCOC(=O)CC(=O)C1=COCCC1 1458a_100000749935_100000188475 [0,1,0,1,0,0|1,0,1]=4 6374 B14R1.29 CCOC(=O)CC(=O)C1=COCCO1 1458a_100000008702_100000188475 [0,1,0,1,0,0|1,0,1]=4 6375 B14R1.29 CCOC(=O)CC(=O)C1C=CCCC1 1458a_100000243816_100000751183 [0,1,0,1,0,0|1,0,1]=4 6376 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000188475 [0,1,0,1,0,0|1,0,0]=3 6377 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 1458a_100000243816_100000210327 [0,1,0,1,0,0|1,0,0]=3 6378 B14R1.29 CCOC(=O)CC(=O)C1CCCCO1 1458a_100000748299_100000188475 [0,1,0,1,0,0|0,0,0]=2 6379 B14R1.29 CCOC(=O)CC(=O)C1CCCOC1 1458a_100000243816_100000693364 [0,1,0,1,0,0|1,0,0]=3 6380 B14R1.29 CCOC(=O)CC(=O)C1CCCOC1 1458a_100000741522_100000188475 [0,1,0,1,0,0|1,0,0]=3 6381 B14R1.29 CCOC(=O)CC(=O)C1CCOCC1 1458a_100000195482_100000188475 [0,1,0,1,0,0|1,0,0]=3 6382 B14R1.29 CCOC(=O)CC(=O)C1CCOCC1 1458a_100000243816_100011324220 [0,1,0,1,0,0|1,0,0]=3 6383 B14R1.29 CCOC(=O)CC(=O)C1CCSCC1 1458a_100000755232_100000188475 [0,1,0,1,0,0|1,0,0]=3 6384 B14R1.29 CCOC(=O)CC(=O)C1COCCO1 1458a_100000045528_100000188475 [0,1,0,1,0,0|1,0,0]=3 6385 B14R1.29 CCOC(=O)CC(=O)C1SCCCS1 1458a_100000028545_100000188475 [0,1,0,1,0,0|1,1,0]=4 6386 B14R1.29 CCOC(=O)CC(=O)N1CC=CCC1 240690a_100000698166_100000243816 [0,1,0,1,0,0|1,0,1]=4 6387 B14R1.29 CCOC(=O)CC(=O)N1CCCOC1 240690a_100000131196_100000243816 [0,1,0,1,0,0|1,0,0]=3 6388 B14R1.29 CCOC(=O)CC(=O)N1CCOCC1 240690a_100015191051_100000243816 [0,1,0,1,0,0|1,0,0]=3 6389 B14R1.29 CCOC(=O)CC(=O)N1CCSCC1 240690a_100000737611_100000243816 [0,1,0,1,0,0|1,0,0]=3 6390 B14R1.29 CCOC(=O)CC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000188475 [0,1,0,1,0,0|1,0,1]=4 6391 B14R1.29 O=C(CC(=O)C1CCCCO1)NCO 1458a_100000748299_100000185155 [0,1,0,1,0,0|2,0,0]=4 6392 B14R1.2504 CCCCC(C)C(=O)CC(=O)C1CC1 1458a_100000725509_100000746382 [0,1,0,1,0,0|2,0,0]=4 6393 B14R1.2504 CCCCC(O)C(=O)CC(=O)C1CC1 1458a_100000720857_100000746382 [0,1,0,1,0,0|2,0,0]=4 6394 B14R1.2504 CCCCN(C)C(=O)CC(=O)C1CC1 1458a_100000210395_100000230175 [0,1,0,1,0,0|2,0,0]=4 6395 B14R1.4475 CCC/C=C(\C)/C(=O)C1CCOC1=O 1458a_200020648666_100000211211 [0,1,0,1,0,0|1,0,1]=4 6396 B14R1.4475 CCCCC(C)C(=O)C1CCCC1=O 1458a_100000725509_100000211823 [0,1,0,1,0,0|2,0,0]=4 6397 B14R1.4475 CCCCC(C)C(=O)C1CCOC1=O 1458a_100000725509_100000211211 [0,1,0,1,0,0|1,0,0]=3 6398 B14R1.4475 CCCCC(O)C(=O)C1CCCC1=O 1458a_100000720857_100000211823 [0,1,0,1,0,0|2,0,0]=4 6399 B14R1.4475 CCCCC(O)C(=O)C1CCOC1=O 1458a_100000720857_100000211211 [0,1,0,1,0,0|1,0,0]=3 6400 B14R1.4475 CCCNC(=O)C(=O)C1CCOC1=O 1458a_200011297150_100000211211 [0,1,0,1,0,0|2,0,0]=4 6401 B14R1.4475 CSCCC(O)C(=O)C1CCOC1=O 1458a_100000685904_100000211211 [0,1,0,1,0,0|2,0,0]=4 6402 B14R1.7167 CCOC(=O)CC(=O)C(C)N1CCC1 269982a_100000754969_100010090504 [0,1,0,1,0,0|2,0,0]=4 6403 B14R1.7167 CCOC(=O)CC(=O)N(C)C1CCC1 240690a_100000758072_100000243816 [0,1,0,1,0,0|1,0,0]=3 6404 B14R1.7167 CCOC(=O)CC(=O)N(C)C1COC1 240690a_100102693430_100000243816 [0,1,0,1,0,0|2,0,0]=4 6405 B14R1.7169 CCOC(=O)CC(=O)C(=O)NC1CC1 1458a_100000756273_100000188475 [0,1,0,1,0,0|2,0,0]=4 6406 B14R1.7169 CCOC(=O)CC(=O)C(C)SC1CC1 62a_100010090504_100000211595 [0,1,0,1,0,0|2,0,0]=4 6407 B14R1.7169 CCOC(=O)CC(=O)N(C)CC1CC1 240690a_100000741881_100000243816 [0,1,0,1,0,0|1,0,0]=3 6408 B14R1.10078 CCCC(=O)CC(=O)C1(CCCC1)C 1458a_100000239728_100000747444 [0,1,0,1,0,0|2,0,0]=4 6409 B14R1.10078 CCCC(=O)CC(=O)C1(CCCC1)O 1458a_100000242637_100000747444 [0,1,0,1,0,0|2,0,0]=4 6410 B14R1.10078 CCNC(=O)CC(=O)C1(CCCC1)C 1458a_100000239728_100000183381 [0,1,0,1,0,0|2,0,0]=4 6411 B14R1.10078 CCNC(=O)CC(=O)C1(CCCC1)O 1458a_100000242637_100000183381 [0,1,0,1,0,0|2,0,0]=4 6412 B14R1.10078 CCOC(=O)CC(=O)C1(CCCC1)C 1458a_100000239728_100000188475 [0,1,0,1,0,0|1,0,0]=3 6413 B14R1.10078 CCOC(=O)CC(=O)C1(CCCC1)O 1458a_100000242637_100000188475 [0,1,0,1,0,0|1,0,0]=3 6414 B14R1.10078 CCOC(=O)CC(=O)C1(CCCO1)C 1458a_100000684770_100000188475 [0,1,0,1,0,0|2,0,0]=4 6415 B14R1.10081 CCOC(=O)CC(=O)C1CC(C1)CO 1458a_206645079618_100000188475 [0,1,0,1,0,0|2,0,0]=4 6416 B14R1.10081 CCOC(=O)CC(=O)C1CC(C1)OC 1458a_100011999411_100000188475 [0,1,0,1,0,0|2,0,0]=4 6417 B14R1.10081 CCOC(=O)CC(=O)N1CC(C1)CC 240690a_100015205115_100000243816 [0,1,0,1,0,0|1,0,0]=3 6418 B14R1.10081 CCOC(=O)CC(=O)N1CC(C1)CF 240690a_100010363649_100000243816 [0,1,0,1,0,0|2,0,0]=4 6419 B14R1.10081 CCOC(=O)CC(=O)N1CC(C1)CO 240690a_100016987283_100000243816 [0,1,0,1,0,0|2,0,0]=4 6420 B14R1.10081 CCOC(=O)CC(=O)N1CC(C1)OC 240690a_100000755009_100000243816 [0,1,0,1,0,0|2,0,0]=4 6421 B14R1.10081 CCOC(=O)CC(=O)N1CC(C1)SC 240690a_100016990038_100000243816 [0,1,0,1,0,0|2,0,0]=4 6422 B14R1.621 CCCC(=O)CC(=O)C=C1CCCC1 1458a_100000743260_100000747444 [0,1,0,1,0,0|2,0,0]=4 6423 B14R1.621 CCCC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000747444 [0,1,0,1,0,0|2,0,0]=4 6424 B14R1.621 CCCC(=O)CC(=O)CC1CCOC1 1458a_100011218419_100000747444 [0,1,0,1,0,0|2,0,0]=4 6425 B14R1.621 CCCC(=O)CC(=O)CN1CCCC1 1458a_100000740243_100000747444 [0,1,0,1,0,0|2,0,0]=4 6426 B14R1.621 CCCC(=O)CC(=O)NC1CCCC1 1458a_100000211992_100000183512 [0,1,0,1,0,0|2,0,0]=4 6427 B14R1.621 CCNC(=O)CC(=O)C=C1CCCC1 1458a_100000743260_100000183381 [0,1,0,1,0,0|2,0,0]=4 6428 B14R1.621 CCNC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000183381 [0,1,0,1,0,0|2,0,0]=4 6429 B14R1.621 CCNC(=O)CC(=O)CC1CCOC1 1458a_100011218419_100000183381 [0,1,0,1,0,0|2,0,0]=4 6430 B14R1.621 CCNC(=O)CC(=O)CN1CCCC1 1458a_100000740243_100000183381 [0,1,0,1,0,0|2,0,0]=4 6431 B14R1.621 CCOC(=O)CC(=O)C=C1CCCC1 1458a_100000743260_100000188475 [0,1,0,1,0,0|1,0,0]=3 6432 B14R1.621 CCOC(=O)CC(=O)CC1=CCCC1 1458a_100000050221_100000188475 [0,1,0,1,0,0|1,0,1]=4 6433 B14R1.621 CCOC(=O)CC(=O)CC1C=CCC1 1458a_100000212241_100000188475 [0,1,0,1,0,0|1,0,1]=4 6434 B14R1.621 CCOC(=O)CC(=O)CC1CC=CC1 1458a_200000137526_100000188475 [0,1,0,1,0,0|1,0,1]=4 6435 B14R1.621 CCOC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000188475 [0,1,0,1,0,0|1,0,0]=3 6436 B14R1.621 CCOC(=O)CC(=O)CC1CCCC1 1458a_100000243816_100000740388 [0,1,0,1,0,0|1,0,0]=3 6437 B14R1.621 CCOC(=O)CC(=O)CC1CCCO1 1458a_100000243816_100000203698 [0,1,0,1,0,0|1,0,0]=3 6438 B14R1.621 CCOC(=O)CC(=O)CC1CCOC1 1458a_100000243816_100000702531 [0,1,0,1,0,0|1,0,0]=3 6439 B14R1.621 CCOC(=O)CC(=O)CC1CCOC1 1458a_100011218419_100000188475 [0,1,0,1,0,0|1,0,0]=3 6440 B14R1.621 CCOC(=O)CC(=O)CC1OCCO1 1458a_100000243816_100000755774 [0,1,0,1,0,0|2,0,0]=4 6441 B14R1.621 CCOC(=O)CC(=O)CN1CCCC1 1458a_100000740243_100000188475 [0,1,0,1,0,0|1,0,0]=3 6442 B14R1.621 CCOC(=O)CC(=O)CN1CCCC1 269982a_100000188435_100000210311 [0,1,0,1,0,0|1,0,0]=3 6443 B14R1.621 CCOC(=O)CC(=O)CN1CCSC1 269982a_100011215254_100000210311 [0,1,0,1,0,0|2,0,0]=4 6444 B14R1.621 CCOC(=O)CC(=O)NC1CC=CC1 240690a_100015188752_100000243816 [0,1,0,1,0,0|1,0,1]=4 6445 B14R1.621 CCOC(=O)CC(=O)NC1CCCC1 240690a_100000211070_100000243816 [0,1,0,1,0,0|1,0,0]=3 6446 B14R1.621 CCOC(=O)CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000243816 [0,1,0,1,0,0|1,0,0]=3 6447 B14R1.621 CCOC(=O)CC(=O)N[C@H]1CCOC1 240690a_100015188467_100000243816 [0,1,0,1,0,0|1,0,0]=3 6448 B14R1.621 CCOC(=O)CC(C)OC1CCCC1 7a_100000210269_100009817359 [0,1,0,1,0,0|1,0,1]=4 6449 B14R1.621 CCOC(=O)CC(C)OC1CCSC1 7a_100011232664_100009817359 [0,1,0,1,0,0|1,0,1]=4 6450 B14R1.621 CCOC(=O)C[C@@H](C)OC1CCCC1 7a_100009816390_100000179811 [0,1,0,1,0,0|1,0,1]=4 6451 B14R1.621 CCOC(=O)C[C@@H](C)OC1CCOC1 7a_100009816390_100000731011 [0,1,0,1,0,0|1,0,1]=4 6452 B14R1.621 CCOC(=O)NC(=O)CN1CCCC1 269982a_100000188435_100000010344 [0,1,0,1,0,0|2,0,0]=4 6453 B14R1.2627 CCCC(C)CC(=O)CC(=O)C1CC1 1458a_100000748435_100000746382 [0,1,0,1,0,0|2,0,0]=4 6454 B14R1.2627 CCOC(=O)CC(=O)C=C(C)C1CC1 1458a_100000742917_100000188475 [0,1,0,1,0,0|1,0,1]=4 6455 B14R1.2627 CCOC(=O)CC(=O)CC(=O)C1CC1 1458a_100000243816_100000746382 [0,1,0,1,0,0|1,0,1]=4 6456 B14R1.2627 CCOC(=O)CC(=O)CN(C)C1CC1 269982a_100000226674_100000210311 [0,1,0,1,0,0|2,0,0]=4 6457 B14R1.2627 CCOC(=O)CC(=O)NC(C)C1CC1 240690a_100000700016_100000243816 [0,1,0,1,0,0|1,0,0]=3 6458 B14R1.2627 CCOC(=O)CC(C)OC(C)C1CC1 7a_100000744524_100009817359 [0,1,0,1,0,0|1,0,1]=4 6459 B14R1.3242 C=C(CCC)CC(=O)C1CCOC1=O 1458a_100000138376_100000211211 [0,1,0,1,0,0|1,0,1]=4 6460 B14R1.3242 CCCC(=CC(=O)C1CCOC1=O)C 1458a_100020676950_100000211211 [0,1,0,1,0,0|1,0,1]=4 6461 B14R1.3242 CCCC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000747444 [0,1,0,1,0,0|2,0,0]=4 6462 B14R1.3242 CCCC(=O)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000747444 [0,1,0,1,0,0|2,0,0]=4 6463 B14R1.3242 CCCC(C)CC(=O)C1CCCC1=O 1458a_100000748435_100000211823 [0,1,0,1,0,0|2,0,0]=4 6464 B14R1.3242 CCCC(C)CC(=O)C1CCOC1=O 1458a_100000748435_100000211211 [0,1,0,1,0,0|1,0,0]=3 6465 B14R1.3242 CCCS(=O)CC(=O)C1CCOC1=O 1458a_100011387404_100000211211 [0,1,0,1,0,0|2,0,0]=4 6466 B14R1.3242 CCNC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000183381 [0,1,0,1,0,0|2,0,0]=4 6467 B14R1.3242 CCNC(=O)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000183381 [0,1,0,1,0,0|2,0,0]=4 6468 B14R1.3242 CCOC(=O)CC(=O)C1CCCC1=O 1458a_100000243816_100000211823 [0,1,0,1,0,0|1,0,1]=4 6469 B14R1.3242 CCOC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000188475 [0,1,0,1,0,0|1,0,0]=3 6470 B14R1.3242 CCOC(=O)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000243816 [0,1,0,1,0,0|1,0,0]=3 6471 B14R1.3242 CCOC(=O)CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000243816 [0,1,0,1,0,0|1,0,0]=3 6472 B14R1.3242 CCOC(=O)CC(=O)N1CCSC1C 240690a_200011216479_100000243816 [0,1,0,1,0,0|1,0,0]=3 6473 B14R1.3242 CCOC(=O)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000188475 [0,1,0,1,0,0|1,0,0]=3 6474 B14R1.3242 CCSC(C)CC(=O)C1CCOC1=O 1458a_200011311441_100000211211 [0,1,0,1,0,0|2,0,0]=4 6475 B14R1.3244 CCOC(=O)CC(=O)CC1CC(=O)C1 1458a_100000243816_100009874392 [0,1,0,1,0,0|1,0,1]=4 6476 B14R1.3244 CCOC(=O)CC(=O)CN1CC(C1)C 269982a_100000702820_100000210311 [0,1,0,1,0,0|2,0,0]=4 6477 B14R1.3244 CCOC(=O)CC(=O)CN1CC(C1)F 269982a_100000690557_100000210311 [0,1,0,1,0,0|2,0,0]=4 6478 B14R1.3244 CCOC(=O)CC(=O)CN1CC(C1)O 269982a_100000749847_100000210311 [0,1,0,1,0,0|2,0,0]=4 6479 B14R1.3244 CCOC(=O)CC(=O)NC1CC(C1)F 240690a_100016993743_100000243816 [0,1,0,1,0,0|1,0,0]=3 6480 B14R1.3244 CCOC(=O)CC(=O)NC1CN(C1)C 240690a_100015196640_100000243816 [0,1,0,1,0,0|2,0,0]=4 6481 B14R1.3244 CCOC(=O)CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000243816 [0,1,0,1,0,0|1,0,0]=3 6482 B14R1.10098 CCOC(=O)CC(=O)CC1(CCC1)C 1458a_100000243816_100000726658 [0,1,0,1,0,0|1,0,0]=3 6483 B14R1.10098 CCOC(=O)CC(=O)CC1(COC1)C 1458a_100000243816_100000066812 [0,1,0,1,0,0|2,0,0]=4 6484 B14R1.10098 CCOC(=O)CC(=O)NC1(CCC1)C 240690a_100000692455_100000243816 [0,1,0,1,0,0|1,0,0]=3 6485 B14R1.10098 CCOC(=O)CC(C)OC1(CCC1)C 7a_100000759064_100009817359 [0,1,0,1,0,0|1,0,1]=4 6486 B14R1.137 C=C(CC(=O)C1CCCC1)OCOC 1458a_100000210718_100000042856 [0,1,0,1,0,0|2,0,0]=4 6487 B14R1.137 C=CCOC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000033060 [0,1,0,1,0,0|1,0,1]=4 6488 B14R1.137 CCC#CC(=O)CC(=O)N1CCCC1 1458a_100011827653_100000183516 [0,1,0,1,0,0|2,0,0]=4 6489 B14R1.137 CCC=CC(=O)CC(=O)N1CCCC1 1458a_100000212282_100000183516 [0,1,0,1,0,0|2,0,0]=4 6490 B14R1.137 CCCCC(=O)CC(=O)N1CCCC1 1458a_100000210183_100000183516 [0,1,0,1,0,0|2,0,0]=4 6491 B14R1.137 CCCNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000183358 [0,1,0,1,0,0|2,0,0]=4 6492 B14R1.137 CCCOC(=O)CC(=O)C1=CCCC1 1458a_100000038896_200011215008 [0,1,0,1,0,0|1,0,1]=4 6493 B14R1.137 CCCOC(=O)CC(=O)C1CCCC1 1458a_100000210718_200011215008 [0,1,0,1,0,0|1,0,0]=3 6494 B14R1.137 CCCOC(=O)CC(=O)C1CCCS1 1458a_100012002731_200011215008 [0,1,0,1,0,0|2,0,0]=4 6495 B14R1.137 CCCOC(=O)CC(=O)C1CCOC1 1458a_100011219752_200011215008 [0,1,0,1,0,0|2,0,0]=4 6496 B14R1.137 CCCOC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_200011215008 [0,1,0,1,0,0|2,0,0]=4 6497 B14R1.137 CCOCC(=O)CC(=O)N1CCCC1 1458a_100000211967_100000183516 [0,1,0,1,0,0|1,0,0]=3 6498 B14R1.137 CCSCC(=O)CC(=O)N1CCCC1 1458a_100000230394_100000183516 [0,1,0,1,0,0|1,1,0]=4 6499 B14R1.137 COCCC(=O)CC(=O)N1CCCC1 1458a_100000749529_100000183516 [0,1,0,1,0,0|2,0,0]=4 6500 B14R1.137 CSCCC(=O)CC(=O)N1CCCC1 1458a_100000174002_100000183516 [0,1,0,1,0,0|2,0,0]=4 6501 B14R1.157 CCCCOC(=O)Cc1noc(n1)C 270196a_100000212043_100000070787 [0,1,0,1,0,0|1,0,1]=4 6502 B14R1.158 CCCCOC(=O)CN1CCCOC1 2230a_100000131196_100000211628 [0,1,0,1,0,0|2,0,0]=4 6503 B14R1.158 CCCCOC(=O)CN1CCCOC1 269982a_100000131196_100000211628 [0,1,0,1,0,0|2,0,0]=4 6504 B14R1.158 CCCCOC(=O)CN1CCCOC1 34a_100000131196_100000211628 [0,1,0,1,0,0|2,0,0]=4 6505 B14R1.938 CCC#CC(=O)C1CCCCCC1=O 1458a_100011827653_100000243696 [0,1,0,1,0,0|2,0,0]=4 6506 B14R1.938 CCC#CC(=O)C1CCCCNC1=O 1458a_100011827653_100000735217 [0,1,0,1,0,0|2,0,0]=4 6507 B14R1.938 CCC=CC(=O)C1CCCCCC1=O 1458a_100000212282_100000243696 [0,1,0,1,0,0|2,0,0]=4 6508 B14R1.938 CCC=CC(=O)C1CCCCNC1=O 1458a_100000212282_100000735217 [0,1,0,1,0,0|2,0,0]=4 6509 B14R1.938 CCCCC(=O)C1CCCCCC1=O 1458a_100000210183_100000243696 [0,1,0,1,0,0|2,0,0]=4 6510 B14R1.938 CCCCC(=O)C1CCCCNC1=O 1458a_100000210183_100000735217 [0,1,0,1,0,0|2,0,0]=4 6511 B14R1.938 CCOCC(=O)C1CCCCCC1=O 1458a_100000211967_100000243696 [0,1,0,1,0,0|1,0,0]=3 6512 B14R1.938 CCOCC(=O)C1CCCCNC1=O 1458a_100000211967_100000735217 [0,1,0,1,0,0|1,0,0]=3 6513 B14R1.938 CCSCC(=O)C1CCCCCC1=O 1458a_100000230394_100000243696 [0,1,0,1,0,0|1,1,0]=4 6514 B14R1.938 CCSCC(=O)C1CCCCNC1=O 1458a_100000230394_100000735217 [0,1,0,1,0,0|1,1,0]=4 6515 B14R1.938 COCCC(=O)C1CCCCCC1=O 1458a_100000749529_100000243696 [0,1,0,1,0,0|2,0,0]=4 6516 B14R1.938 COCCC(=O)C1CCCCNC1=O 1458a_100000749529_100000735217 [0,1,0,1,0,0|2,0,0]=4 6517 B14R1.938 CSCCC(=O)C1CCCCCC1=O 1458a_100000174002_100000243696 [0,1,0,1,0,0|2,0,0]=4 6518 B14R1.938 CSCCC(=O)C1CCCCNC1=O 1458a_100000174002_100000735217 [0,1,0,1,0,0|2,0,0]=4 6519 B14R1.1035 CCCCCC(=O)C1CCCCC1=O 1458a_100000212188_100000204591 [0,1,0,1,0,0|2,0,0]=4 6520 B14R1.1035 CCCCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210326 [0,1,0,1,0,0|2,0,0]=4 6521 B14R1.1035 CCCCCC(=O)C1CCCNC1=O 1458a_100000212188_100000687798 [0,1,0,1,0,0|2,0,0]=4 6522 B14R1.1035 CCCCCC(=O)C1COCCC1=O 1458a_100000212188_100012180262 [0,1,0,1,0,0|2,0,0]=4 6523 B14R1.1035 CCCCNC(=O)C1CCCNC1=O 11a_100000102301_100000087122 [0,1,0,1,0,0|2,0,0]=4 6524 B14R1.1035 CCCCNC(=O)C1CCCNC1=O 240690a_100000102301_100000087122 [0,1,0,1,0,0|2,0,0]=4 6525 B14R1.1035 CCCCNC(=O)C1CCCNC1=O 527a_100000102301_100000087122 [0,1,0,1,0,0|2,0,0]=4 6526 B14R1.3444 CCCCCC(=O)CC(=O)C1CCC1 1458a_100000209988_200012276598 [0,1,0,1,0,0|2,0,0]=4 6527 B14R1.3444 CCCCCC(=O)CC(=O)C1CCC1 1458a_100000212188_100000686122 [0,1,0,1,0,0|2,0,0]=4 6528 B14R1.3444 CCCCCC(=O)CC(=O)C1CCO1 1458a_100000089072_200012276598 [0,1,0,1,0,0|1,0,0]=3 6529 B14R1.3444 CCCCCC(=O)CC(=O)C1COC1 1458a_100000758290_200012276598 [0,1,0,1,0,0|2,0,0]=4 6530 B14R1.3444 CCCCCC(=O)CC(=O)N1CCC1 1458a_100000212188_100000185095 [0,1,0,1,0,0|2,0,0]=4 6531 B14R1.3444 CCCCNC(=O)CC(=O)C1CCC1 1458a_100000209988_100000182744 [0,1,0,1,0,0|2,0,0]=4 6532 B14R1.3444 CCCCNC(=O)CC(=O)C1CCO1 1458a_100000089072_100000182744 [0,1,0,1,0,0|1,0,0]=3 6533 B14R1.3444 CCCCNC(=O)CC(=O)C1COC1 1458a_100000758290_100000182744 [0,1,0,1,0,0|2,0,0]=4 6534 B14R1.3444 CCCCOC(=O)CC(=O)C1CCC1 1458a_100000209988_100000211628 [0,1,0,1,0,0|1,0,0]=3 6535 B14R1.3444 CCCCOC(=O)CC(=O)C1CCO1 1458a_100000089072_100000211628 [0,1,0,1,0,0|0,0,0]=2 6536 B14R1.3444 CCCCOC(=O)CC(=O)C1COC1 1458a_100000758290_100000211628 [0,1,0,1,0,0|1,0,0]=3 6537 B14R1.3444 COCCNC(=O)CC(=O)C1CCO1 1458a_100000089072_100000183275 [0,1,0,1,0,0|2,0,0]=4 6538 B14R1.3444 COCCOC(=O)CC(=O)C1CCC1 1458a_100000209988_200000040189 [0,1,0,1,0,0|2,0,0]=4 6539 B14R1.3444 COCCOC(=O)CC(=O)C1CCO1 1458a_100000089072_200000040189 [0,1,0,1,0,0|1,0,0]=3 6540 B14R1.3444 COCCOC(=O)CC(=O)C1COC1 1458a_100000758290_200000040189 [0,1,0,1,0,0|2,0,0]=4 6541 B14R1.3446 CCCCCC(=O)CC(=O)CC1CC1 1458a_100000738066_200012276598 [0,1,0,1,0,0|2,0,0]=4 6542 B14R1.3446 CCCCCC(=O)CC(=O)NC1CC1 1458a_100000212188_100000182950 [0,1,0,1,0,0|2,0,0]=4 6543 B14R1.3446 CCCCNC(=O)CC(=O)CC1CC1 1458a_100000738066_100000182744 [0,1,0,1,0,0|2,0,0]=4 6544 B14R1.3446 CCCCOC(=O)CC(=O)CC1CC1 1458a_100000738066_100000211628 [0,1,0,1,0,0|1,0,0]=3 6545 B14R1.3446 COCCOC(=O)CC(=O)CC1CC1 1458a_100000738066_200000040189 [0,1,0,1,0,0|2,0,0]=4 6546 B14R1.4286 C=C(CC(=O)C1CC1CC)OCOC 1458a_200011661523_100000042856 [0,1,0,1,0,0|2,0,0]=4 6547 B14R1.4286 C=CCOC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000033060 [0,1,0,1,0,0|1,0,1]=4 6548 B14R1.4286 CCCNC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000183358 [0,1,0,1,0,0|2,0,0]=4 6549 B14R1.4286 CCCOC(=O)CC(=O)C1CC1CC 1458a_200011661523_200011215008 [0,1,0,1,0,0|1,0,0]=3 6550 B14R1.4288 C=C(CC(=O)CC1CCC1)OCOC 1458a_100000763092_100000042856 [0,1,0,1,0,0|2,0,0]=4 6551 B14R1.4288 C=CCOC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000033060 [0,1,0,1,0,0|1,0,1]=4 6552 B14R1.4288 CCCNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000183358 [0,1,0,1,0,0|2,0,0]=4 6553 B14R1.4288 CCCOC(=O)CC(=O)C=C1CCC1 1458a_100000686340_200011215008 [0,1,0,1,0,0|1,0,1]=4 6554 B14R1.4288 CCCOC(=O)CC(=O)CC1CCC1 1458a_100000763092_200011215008 [0,1,0,1,0,0|1,0,0]=3 6555 B14R1.4288 CCCOC(=O)CC(=O)CC1COC1 1458a_100000687760_200011215008 [0,1,0,1,0,0|2,0,0]=4 6556 B14R1.4289 C=C(CC(=O)CCC1CC1)OCOC 1458a_100000756386_100000042856 [0,1,0,1,0,0|2,0,0]=4 6557 B14R1.4289 C=CCOC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000033060 [0,1,0,1,0,0|1,0,1]=4 6558 B14R1.4289 CCCNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183358 [0,1,0,1,0,0|2,0,0]=4 6559 B14R1.4289 CCCOC(=O)CC(=O)C=CC1CC1 1458a_100102529529_200011215008 [0,1,0,1,0,0|1,0,1]=4 6560 B14R1.4289 CCCOC(=O)CC(=O)CCC1CC1 1458a_100000756386_200011215008 [0,1,0,1,0,0|1,0,0]=3 6561 B14R1.9375 CCCCCC(=O)CC(=O)C1CC1C 1458a_100000211227_200012276598 [0,1,0,1,0,0|2,0,0]=4 6562 B14R1.9375 CCCCCC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200012276598 [0,1,0,1,0,0|2,0,0]=4 6563 B14R1.9375 CCCCNC(=O)CC(=O)C1CC1C 1458a_100000211227_100000182744 [0,1,0,1,0,0|2,0,0]=4 6564 B14R1.9375 CCCCNC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000182744 [0,1,0,1,0,0|2,0,0]=4 6565 B14R1.9375 CCCCOC(=O)CC(=O)C1CC1C 1458a_100000211227_100000211628 [0,1,0,1,0,0|1,0,0]=3 6566 B14R1.9375 CCCCOC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211628 [0,1,0,1,0,0|1,0,0]=3 6567 B14R1.9375 COCCOC(=O)CC(=O)C1CC1C 1458a_100000211227_200000040189 [0,1,0,1,0,0|2,0,0]=4 6568 B14R1.9375 COCCOC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000040189 [0,1,0,1,0,0|2,0,0]=4 6569 B14R1.92 CCCCOCC(=O)CC1=CCCC1 1458a_100000050221_100011995733 [0,1,0,1,0,0|2,0,0]=4 6570 B14R1.92 CCCCOCC(=O)CC1CCCO1 1458a_100000757543_100000203698 [0,1,0,1,0,0|1,0,1]=4 6571 B14R1.92 CCCCOCC(=O)CC1OCCO1 1458a_100000757543_100000755774 [0,1,0,1,0,0|0,0,2]=4 6572 B14R1.3360 C#CCCCCC(=O)C1CCOC1=O 1458a_100000696528_100000211211 [0,1,0,1,0,0|1,0,1]=4 6573 B14R1.3360 C=CCCCCC(=O)C1CCOC1=O 1458a_100011215552_100000211211 [0,1,0,1,0,0|1,0,1]=4 6574 B14R1.3360 CCC/C=C/CC(=O)C1CCOC1=O 1458a_200016266809_100000211211 [0,1,0,1,0,0|1,0,1]=4 6575 B14R1.3360 CCCCC=CC(=O)C1CCCC1=O 1458a_100016266645_100000211823 [0,1,0,1,0,0|2,0,0]=4 6576 B14R1.3360 CCCCC=CC(=O)C1CCOC1=O 1458a_100016266645_100000211211 [0,1,0,1,0,0|1,0,0]=3 6577 B14R1.3360 CCCCCCC(=O)C1CCCC1=O 1458a_100102632555_100000211823 [0,1,0,1,0,0|2,0,0]=4 6578 B14R1.3360 CCCCCCC(=O)C1CCOC1=O 1458a_100102632555_100000211211 [0,1,0,1,0,0|1,0,0]=3 6579 B14R1.3360 CCCCNN=C(C)C1CCOC1=O 4a_100025702795_100000211971 [0,1,0,1,0,0|2,0,0]=4 6580 B14R1.3360 CCCCOCC(=O)C1CCCC1=O 1458a_100000757543_100000211823 [0,1,0,1,0,0|1,0,0]=3 6581 B14R1.3360 CCCCOCC(=O)C1CCOC1=O 1458a_100000757543_100000211211 [0,1,0,1,0,0|0,0,0]=2 6582 B14R1.3360 CCCCOCC(=O)N1CCNC1=O 7a_100000210227_100000185157 [0,1,0,1,0,0|2,0,0]=4 6583 B14R1.3360 CCCCSCC(=O)C1CCCC1=O 1458a_100000191162_100000211823 [0,1,0,1,0,0|1,1,0]=4 6584 B14R1.3360 CCCCSCC(=O)C1CCOC1=O 1458a_100000191162_100000211211 [0,1,0,1,0,0|0,1,0]=3 6585 B14R1.3360 COCCOCC(=O)C1CCCC1=O 1458a_100000211095_100000211823 [0,1,0,1,0,0|2,0,0]=4 6586 B14R1.3360 COCCOCC(=O)C1CCOC1=O 1458a_100000211095_100000211211 [0,1,0,1,0,0|1,0,0]=3 6587 B14R1.3360 O=C(CCCCCO)C1CCCC1=O 1458a_100102619762_100000211823 [0,1,0,1,0,0|2,0,0]=4 6588 B14R1.3360 O=C(CCCCCO)C1CCOC1=O 1458a_100102619762_100000211211 [0,1,0,1,0,0|1,0,0]=3 6589 B14R1.3360 O=C(CCOCCO)C1CCOC1=O 1458a_100011229844_100000211211 [0,1,0,1,0,0|2,0,0]=4 6590 B14R1.6567 CCCCC=CC(=O)CC(=O)C1CC1 1458a_100016266645_100000746382 [0,1,0,1,0,0|2,0,0]=4 6591 B14R1.6567 CCCCCCC(=O)CC(=O)C1CC1 1458a_100102632555_100000746382 [0,1,0,1,0,0|2,0,0]=4 6592 B14R1.6567 CCCCCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000230301 [0,1,0,1,0,0|2,0,0]=4 6593 B14R1.6567 CCCCOCC(=O)CC(=O)C1CC1 1458a_100000757543_100000746382 [0,1,0,1,0,0|1,0,0]=3 6594 B14R1.6567 CCCCSCC(=O)CC(=O)C1CC1 1458a_100000191162_100000746382 [0,1,0,1,0,0|1,1,0]=4 6595 B14R1.6567 CCOCCOC(=O)CC(=O)C1CC1 1458a_100000210395_200000101388 [0,1,0,1,0,0|1,0,0]=3 6596 B14R1.6567 CCOCCOC(=O)CC(=O)C1CO1 1458a_100000701028_200000101388 [0,1,0,1,0,0|2,0,0]=4 6597 B14R1.6567 COCCCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183178 [0,1,0,1,0,0|2,0,0]=4 6598 B14R1.6567 COCCOCC(=O)CC(=O)C1CC1 1458a_100000211095_100000746382 [0,1,0,1,0,0|2,0,0]=4 6599 B14R1.6567 O=C(CCCCCO)CC(=O)C1CC1 1458a_100102619762_100000746382 [0,1,0,1,0,0|2,0,0]=4 6600 B14R1.7236 CCOC(=O)CC(C)OCC1CC1C 7a_100000744939_100009817359 [0,1,0,1,0,0|1,0,1]=4 6601 B14R1.7237 CCOC(=O)C=C(C)COC1CCC1 34a_100000748187_100135422193 [0,1,0,1,0,0|1,0,1]=4 6602 B14R1.7237 CCOC(=O)CC(=O)CSC1CCC1 62a_100000210311_100000749161 [0,1,0,1,0,0|0,1,0]=3 6603 B14R1.7237 CCOC(=O)CC(=O)CSC1COC1 62a_100000210311_100009818527 [0,1,0,1,0,0|1,1,0]=4 6604 B14R1.7237 CCOC(=O)CC(=O)NCC1CCC1 240690a_100000738700_100000243816 [0,1,0,1,0,0|1,0,0]=3 6605 B14R1.7237 CCOC(=O)CC(=O)NCC1COC1 240690a_100015281925_100000243816 [0,1,0,1,0,0|1,0,0]=3 6606 B14R1.7237 CCOC(=O)CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000243816 [0,1,0,1,0,0|1,0,0]=3 6607 B14R1.7237 CCOC(=O)CC(=O)NNC1CCC1 22a_100000736358_100000243816 [0,1,0,1,0,0|1,0,0]=3 6608 B14R1.7237 CCOC(=O)CC(=O)NNC1COC1 22a_100015188821_100000243816 [0,1,0,1,0,0|2,0,0]=4 6609 B14R1.7237 CCOC(=O)C[C@@H](C)OCC1CCC1 7a_100009816390_100000763275 [0,1,0,1,0,0|1,0,1]=4 6610 B14R1.7237 CCOC(=O)C[C@@H](C)OCC1CCO1 7a_100009816390_100000103362 [0,1,0,1,0,0|1,0,1]=4 6611 B14R1.7237 CCOC(=O)C[C@@H](C)OCC1COC1 7a_100009816390_100010264016 [0,1,0,1,0,0|1,0,1]=4 6612 B14R1.7237 CCOC(=O)C[C@H](O)COC1CCC1 34a_100000748187_100000688340 [0,1,0,1,0,0|0,0,2]=4 6613 B14R1.7237 CCOC(=O)NC(=O)COC1CSC1 7a_100000072292_100000010344 [0,1,0,1,0,0|2,0,0]=4 6614 B14R1.7238 CCCC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000747444 [0,1,0,1,0,0|1,1,0]=4 6615 B14R1.7238 CCNC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000183381 [0,1,0,1,0,0|1,1,0]=4 6616 B14R1.7238 CCOC(=O)C=C(C)COCC1CC1 34a_100000211283_100135422193 [0,1,0,1,0,0|1,0,1]=4 6617 B14R1.7238 CCOC(=O)CC(=O)CC#CC1CC1 1458a_100000243816_100009895102 [0,1,0,1,0,0|1,0,1]=4 6618 B14R1.7238 CCOC(=O)CC(=O)CCCC1CO1 1458a_100000243816_100000733510 [0,1,0,1,0,0|1,0,0]=3 6619 B14R1.7238 CCOC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000188475 [0,1,0,1,0,0|0,1,0]=3 6620 B14R1.7238 CCOC(=O)CC(=O)CSCC1CC1 62a_100000210311_100000742324 [0,1,0,1,0,0|0,1,0]=3 6621 B14R1.7238 CCOC(=O)CC(=O)CSCC1CC1 62a_100000756562_100000210311 [0,1,0,1,0,0|0,1,0]=3 6622 B14R1.7238 CCOC(=O)CC(=O)CSCC1CO1 62a_100000210311_102125554688 [0,1,0,1,0,0|1,1,0]=4 6623 B14R1.7238 CCOC(=O)CC(=O)CSCC1CO1 62a_102125554688_100000210311 [0,1,0,1,0,0|1,1,0]=4 6624 B14R1.7238 CCOC(=O)CC(=O)CSCC1CS1 62a_100000031435_100000210311 [0,1,0,1,0,0|1,1,0]=4 6625 B14R1.7238 CCOC(=O)CC(=O)CSCC1CS1 62a_100000210311_100000031435 [0,1,0,1,0,0|1,1,0]=4 6626 B14R1.7238 CCOC(=O)CC(=O)CSC[C@@H]1CO1 62a_100000210311_100000745022 [0,1,0,1,0,0|1,1,0]=4 6627 B14R1.7238 CCOC(=O)CC(=O)CSC[C@@H]1CO1 62a_100000745022_100000210311 [0,1,0,1,0,0|1,1,0]=4 6628 B14R1.7238 CCOC(=O)CC(=O)NCCC1CC1 240690a_100000764129_100000243816 [0,1,0,1,0,0|1,0,0]=3 6629 B14R1.7238 CCOC(=O)CC(=O)NNCC1CC1 22a_100000736359_100000243816 [0,1,0,1,0,0|1,0,0]=3 6630 B14R1.7238 CCOC(=O)CC(C)OCCC1CC1 7a_100000754188_100009817359 [0,1,0,1,0,0|1,0,1]=4 6631 B14R1.7238 CCOC(=O)C[C@@H](C)OCCC1CC1 7a_100009816390_100000764125 [0,1,0,1,0,0|1,0,1]=4 6632 B14R1.7238 CCOC(=O)C[C@@H](C)OCCC1CO1 7a_100009816390_100000732470 [0,1,0,1,0,0|1,0,1]=4 6633 B14R1.7238 CCOC(=O)C[C@H](O)COCC1CC1 34a_100000211283_100000688340 [0,1,0,1,0,0|0,0,2]=4 6634 B14R1.7238 CCOC(=O)NC(=O)CSCC1CC1 62a_100000756562_100000010344 [0,1,0,1,0,0|1,1,0]=4 6635 B14R1.7239 CCOC(=O)CC(=O)CN1CCC1C 269982a_100000755817_100000210311 [0,1,0,1,0,0|1,0,0]=3 6636 B14R1.7239 CCOC(=O)NC(=O)CN1CCC1C 269982a_100000755817_100000010344 [0,1,0,1,0,0|2,0,0]=4 6637 B14R1.4488 CC(C)CCCC(=O)C1CCCC1=O 1458a_100011216857_100000211823 [0,1,0,1,0,0|2,0,0]=4 6638 B14R1.4488 CC(C)CCCC(=O)C1CCOC1=O 1458a_100011216857_100000211211 [0,1,0,1,0,0|1,0,0]=3 6639 B14R1.4488 CC(C)COCC(=O)C1CCOC1=O 1458a_100011223364_100000211211 [0,1,0,1,0,0|2,0,0]=4 6640 B14R1.6365 CC(C)CCCC(=O)CC(=O)C1CC1 1458a_100011216857_100000746382 [0,1,0,1,0,0|2,0,0]=4 6641 B14R1.10097 CCOC(=O)CC(=O)CC1CC1(F)F 1458a_100000138109_100000188475 [0,1,0,1,0,0|2,0,0]=4 6642 B14R1.10097 CCOC(=O)CC(=O)CC1CC1(F)F 1458a_100000243816_100009817841 [0,1,0,1,0,0|2,0,0]=4 6643 B14R1.10097 CCOC(=O)CC(=O)NC1CC1(F)F 240690a_100020610826_100000243816 [0,1,0,1,0,0|2,0,0]=4 6644 B14R1.327 CC(C)CC(=O)C1CCCCCC1=O 1458a_100000210554_100000243696 [0,1,0,1,0,0|2,0,0]=4 6645 B14R1.327 CC(C)CC(=O)C1CCCCNC1=O 1458a_100000210554_100000735217 [0,1,0,1,0,0|2,0,0]=4 6646 B14R1.327 C[C@@H](O)CC(=O)C1CCCCCC1=O 1458a_100011933948_100000243696 [0,1,0,1,0,0|2,0,0]=4 6647 B14R1.327 C[C@@H](O)CC(=O)C1CCCCNC1=O 1458a_100011933948_100000735217 [0,1,0,1,0,0|2,0,0]=4 6648 B14R1.807 CC(C)CC(=O)CC(=O)N1CCCC1 1458a_100000210554_100000183516 [0,1,0,1,0,0|2,0,0]=4 6649 B14R1.807 CC(C)NC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000183996 [0,1,0,1,0,0|2,0,0]=4 6650 B14R1.807 CC(C)OC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100011215430 [0,1,0,1,0,0|1,0,1]=4 6651 B14R1.807 CC(C)OC(=O)CC(=O)C1CCCC1 1458a_100000210718_100011215430 [0,1,0,1,0,0|1,0,0]=3 6652 B14R1.807 CC(C)OC(=O)CC(=O)C1CCCS1 1458a_100012002731_100011215430 [0,1,0,1,0,0|2,0,0]=4 6653 B14R1.807 CC(C)OC(=O)CC(=O)C1CCOC1 1458a_100011219752_100011215430 [0,1,0,1,0,0|2,0,0]=4 6654 B14R1.807 CC(C)OC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215430 [0,1,0,1,0,0|2,0,0]=4 6655 B14R1.807 C[C@@H](O)CC(=O)CC(=O)N1CCCC1 1458a_100011933948_100000183516 [0,1,0,1,0,0|2,0,0]=4 6656 B14R1.1461 CC(C)NC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000183996 [0,1,0,1,0,0|2,0,0]=4 6657 B14R1.1461 CC(C)OC(=O)CC(=O)C=C1CCC1 1458a_100000686340_100011215430 [0,1,0,1,0,0|1,0,1]=4 6658 B14R1.1461 CC(C)OC(=O)CC(=O)CC1CCC1 1458a_100000763092_100011215430 [0,1,0,1,0,0|1,0,0]=3 6659 B14R1.1461 CC(C)OC(=O)CC(=O)CC1COC1 1458a_100000687760_100011215430 [0,1,0,1,0,0|2,0,0]=4 6660 B14R1.1462 CC(C)NC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183996 [0,1,0,1,0,0|2,0,0]=4 6661 B14R1.1462 CC(C)OC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100011215430 [0,1,0,1,0,0|1,0,1]=4 6662 B14R1.1462 CC(C)OC(=O)CC(=O)CCC1CC1 1458a_100000756386_100011215430 [0,1,0,1,0,0|1,0,0]=3 6663 B14R1.1678 CCC1CC1C(=O)CC(=O)NC(C)C 1458a_200011661523_100000183996 [0,1,0,1,0,0|2,0,0]=4 6664 B14R1.1678 CCC1CC1C(=O)CC(=O)OC(C)C 1458a_200011661523_100011215430 [0,1,0,1,0,0|1,0,0]=3 6665 B14R1.620 CCOC(=O)CS(=O)(=O)N1CCCC1 270084a_100000188435_100000738689 [0,1,0,1,0,0|2,0,0]=4 6666 B14R1.620 CCOC(=O)CS(=O)(=O)N1CCCC1 274078a_100000188435_100000738689 [0,1,0,1,0,0|2,0,0]=4 6667 B14R1.7220 CCOC(=O)CS(=O)(=O)NC1CCC1 270084a_100000749019_100000738689 [0,1,0,1,0,0|2,0,0]=4 6668 B14R1.7220 CCOC(=O)CS(=O)(=O)NC1CCC1 274078a_100000749019_100000738689 [0,1,0,1,0,0|2,0,0]=4 6669 B14R1.7221 CCOC(=O)CC(C)(C)OCC1CC1 7a_100000765344_100000742324 [0,1,0,1,0,0|1,0,1]=4 6670 B14R1.7221 CCOC(=O)CS(=O)(=O)NCC1CC1 270084a_100000735609_100000738689 [0,1,0,1,0,0|2,0,0]=4 6671 B14R1.7221 CCOC(=O)CS(=O)(=O)NCC1CC1 274078a_100000735609_100000738689 [0,1,0,1,0,0|2,0,0]=4 6672 B14R1.7222 CCOC(=O)CS(=O)(=O)N1CCC1C 270084a_100000755817_100000738689 [0,1,0,1,0,0|2,0,0]=4 6673 B14R1.7222 CCOC(=O)CS(=O)(=O)N1CCC1C 274078a_100000755817_100000738689 [0,1,0,1,0,0|2,0,0]=4 6674 B14R1.2624 CCOC(=O)C[C@@H](CCl)OCC1CC1 7a_100000688340_100000742324 [0,1,0,1,0,0|1,0,1]=4 6675 B14R1.475 CCCC(=O)C(C)C(=O)N1CCCC1 1458a_100000211992_100000183899 [0,1,0,1,0,0|2,0,0]=4 6676 B14R1.475 CCNC(=O)C(C)C(=O)C1CCCC1 1458a_100000210718_100000230173 [0,1,0,1,0,0|2,0,0]=4 6677 B14R1.475 CCOC(=O)C(C)C(=O)C1=CCCC1 1458a_100000038896_100011216346 [0,1,0,1,0,0|1,0,1]=4 6678 B14R1.475 CCOC(=O)C(C)C(=O)C1CCCC1 1458a_100000210718_100011216346 [0,1,0,1,0,0|1,0,0]=3 6679 B14R1.475 CCOC(=O)C(C)C(=O)C1CCCC1 1458a_100132301724_100000179811 [0,1,0,1,0,0|1,0,0]=3 6680 B14R1.475 CCOC(=O)C(C)C(=O)C1CCCS1 1458a_100012002731_100011216346 [0,1,0,1,0,0|2,0,0]=4 6681 B14R1.475 CCOC(=O)C(C)C(=O)C1CCOC1 1458a_100011219752_100011216346 [0,1,0,1,0,0|2,0,0]=4 6682 B14R1.475 CCOC(=O)C(C)C(=O)C1CCOC1 1458a_100132301724_100000690089 [0,1,0,1,0,0|2,0,0]=4 6683 B14R1.475 CCOC(=O)C(C)C(=O)N1CCCC1 240690a_100000188435_100132301724 [0,1,0,1,0,0|1,0,0]=3 6684 B14R1.475 CCOC(=O)C(C)C(=O)N1CCCC1 527a_100000188435_100132301724 [0,1,0,1,0,0|1,0,0]=3 6685 B14R1.475 CCOC(=O)C(C)C(=O)N1CCSC1 11a_100011215254_100132301724 [0,1,0,1,0,0|2,0,0]=4 6686 B14R1.475 CCOC(=O)C(C)C(=O)N1CCSC1 240690a_100011215254_100132301724 [0,1,0,1,0,0|2,0,0]=4 6687 B14R1.475 CCOC(=O)C(C)C(=O)N1CCSC1 527a_100011215254_100132301724 [0,1,0,1,0,0|2,0,0]=4 6688 B14R1.475 CCOC(=O)C(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100011216346 [0,1,0,1,0,0|2,0,0]=4 6689 B14R1.475 CCOC(=O)C(F)C(=O)C1=CCCC1 1458a_100000038896_100000760018 [0,1,0,1,0,0|1,0,1]=4 6690 B14R1.475 CCOC(=O)C(F)C(=O)C1CCCC1 1458a_100000210718_100000760018 [0,1,0,1,0,0|1,0,0]=3 6691 B14R1.475 CCOC(=O)C(F)C(=O)C1CCCS1 1458a_100012002731_100000760018 [0,1,0,1,0,0|2,0,0]=4 6692 B14R1.475 CCOC(=O)C(F)C(=O)C1CCOC1 1458a_100011219752_100000760018 [0,1,0,1,0,0|2,0,0]=4 6693 B14R1.475 CCOC(=O)C(F)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000760018 [0,1,0,1,0,0|2,0,0]=4 6694 B14R1.2394 CCCCNC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100000735917 [0,1,0,1,0,0|2,0,0]=4 6695 B14R1.2394 CCCCOC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100000759602 [0,1,0,1,0,0|1,0,0]=3 6696 B14R1.2394 CCCCOC(=O)C(C)C(=O)C1CO1 1458a_100000701028_100000759602 [0,1,0,1,0,0|2,0,0]=4 6697 B14R1.6682 CCNC(=O)C(C)C(=O)C1CC1CC 1458a_200011661523_100000230173 [0,1,0,1,0,0|2,0,0]=4 6698 B14R1.6682 CCOC(=O)C(C)C(=O)C1CC1CC 1458a_200011661523_100011216346 [0,1,0,1,0,0|1,0,0]=3 6699 B14R1.6682 CCOC(=O)C(F)C(=O)C1CC1CC 1458a_200011661523_100000760018 [0,1,0,1,0,0|1,0,0]=3 6700 B14R1.6683 CCOC(=O)C(C)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100132301724 [0,1,0,1,0,0|2,0,0]=4 6701 B14R1.6683 CCOC(=O)C(C)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100132301724 [0,1,0,1,0,0|2,0,0]=4 6702 B14R1.6683 CCOC(=O)C(C)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100132301724 [0,1,0,1,0,0|2,0,0]=4 6703 B14R1.6683 CCOC(=O)C(C)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100132301724 [0,1,0,1,0,0|2,0,0]=4 6704 B14R1.6683 CCOC(=O)C(C)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100132301724 [0,1,0,1,0,0|2,0,0]=4 6705 B14R1.6683 CCOC(=O)C(C)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100132301724 [0,1,0,1,0,0|2,0,0]=4 6706 B14R1.6684 CCNC(=O)C(C)C(=O)CC1CCC1 1458a_100000763092_100000230173 [0,1,0,1,0,0|2,0,0]=4 6707 B14R1.6684 CCOC(=O)C(C)C(=O)C=C1CCC1 1458a_100000686340_100011216346 [0,1,0,1,0,0|1,0,1]=4 6708 B14R1.6684 CCOC(=O)C(C)C(=O)CC1CCC1 1458a_100000763092_100011216346 [0,1,0,1,0,0|1,0,0]=3 6709 B14R1.6684 CCOC(=O)C(C)C(=O)CC1CCC1 1458a_100132301724_100000763275 [0,1,0,1,0,0|1,0,0]=3 6710 B14R1.6684 CCOC(=O)C(C)C(=O)CC1CCO1 1458a_100132301724_100000103362 [0,1,0,1,0,0|2,0,0]=4 6711 B14R1.6684 CCOC(=O)C(C)C(=O)CC1COC1 1458a_100000687760_100011216346 [0,1,0,1,0,0|2,0,0]=4 6712 B14R1.6684 CCOC(=O)C(C)C(=O)CC1COC1 1458a_100132301724_100010264016 [0,1,0,1,0,0|2,0,0]=4 6713 B14R1.6684 CCOC(=O)C(C)C(=O)NC1CCC1 11a_100000749019_100132301724 [0,1,0,1,0,0|1,0,0]=3 6714 B14R1.6684 CCOC(=O)C(C)C(=O)NC1CCC1 1626a_100000749019_100132301724 [0,1,0,1,0,0|1,0,0]=3 6715 B14R1.6684 CCOC(=O)C(C)C(=O)NC1CCC1 240690a_100000749019_100132301724 [0,1,0,1,0,0|1,0,0]=3 6716 B14R1.6684 CCOC(=O)C(C)C(=O)NC1CCC1 527a_100000749019_100132301724 [0,1,0,1,0,0|1,0,0]=3 6717 B14R1.6684 CCOC(=O)C(C)C(=O)NC1COC1 11a_100016991112_100132301724 [0,1,0,1,0,0|2,0,0]=4 6718 B14R1.6684 CCOC(=O)C(C)C(=O)NC1COC1 1626a_100016991112_100132301724 [0,1,0,1,0,0|2,0,0]=4 6719 B14R1.6684 CCOC(=O)C(C)C(=O)NC1COC1 240690a_100016991112_100132301724 [0,1,0,1,0,0|2,0,0]=4 6720 B14R1.6684 CCOC(=O)C(C)C(=O)NC1COC1 527a_100016991112_100132301724 [0,1,0,1,0,0|2,0,0]=4 6721 B14R1.6684 CCOC(=O)C(C)C(=O)NC1CSC1 11a_100016994217_100132301724 [0,1,0,1,0,0|2,0,0]=4 6722 B14R1.6684 CCOC(=O)C(C)C(=O)NC1CSC1 1626a_100016994217_100132301724 [0,1,0,1,0,0|2,0,0]=4 6723 B14R1.6684 CCOC(=O)C(C)C(=O)NC1CSC1 240690a_100016994217_100132301724 [0,1,0,1,0,0|2,0,0]=4 6724 B14R1.6684 CCOC(=O)C(C)C(=O)NC1CSC1 527a_100016994217_100132301724 [0,1,0,1,0,0|2,0,0]=4 6725 B14R1.6684 CCOC(=O)C(F)C(=O)C=C1CCC1 1458a_100000686340_100000760018 [0,1,0,1,0,0|1,0,1]=4 6726 B14R1.6684 CCOC(=O)C(F)C(=O)CC1CCC1 1458a_100000763092_100000760018 [0,1,0,1,0,0|1,0,0]=3 6727 B14R1.6684 CCOC(=O)C(F)C(=O)CC1COC1 1458a_100000687760_100000760018 [0,1,0,1,0,0|2,0,0]=4 6728 B14R1.6685 CCNC(=O)C(C)C(=O)CCC1CC1 1458a_100000756386_100000230173 [0,1,0,1,0,0|2,0,0]=4 6729 B14R1.6685 CCOC(=O)C(C)C(=O)C=CC1CC1 1458a_100102529529_100011216346 [0,1,0,1,0,0|1,0,1]=4 6730 B14R1.6685 CCOC(=O)C(C)C(=O)CCC1CC1 1458a_100000756386_100011216346 [0,1,0,1,0,0|1,0,0]=3 6731 B14R1.6685 CCOC(=O)C(C)C(=O)CCC1CC1 1458a_100132301724_100000694398 [0,1,0,1,0,0|1,0,0]=3 6732 B14R1.6685 CCOC(=O)C(C)C(=O)CCC1CO1 1458a_100132301724_100000732470 [0,1,0,1,0,0|2,0,0]=4 6733 B14R1.6685 CCOC(=O)C(C)C(=O)NCC1CC1 11a_100000735609_100132301724 [0,1,0,1,0,0|1,0,0]=3 6734 B14R1.6685 CCOC(=O)C(C)C(=O)NCC1CC1 1626a_100000735609_100132301724 [0,1,0,1,0,0|1,0,0]=3 6735 B14R1.6685 CCOC(=O)C(C)C(=O)NCC1CC1 240690a_100000735609_100132301724 [0,1,0,1,0,0|1,0,0]=3 6736 B14R1.6685 CCOC(=O)C(C)C(=O)NCC1CC1 527a_100000735609_100132301724 [0,1,0,1,0,0|1,0,0]=3 6737 B14R1.6685 CCOC(=O)C(C)C(=O)NNC1CC1 22a_100000701032_100132301724 [0,1,0,1,0,0|2,0,0]=4 6738 B14R1.6685 CCOC(=O)C(F)C(=O)C=CC1CC1 1458a_100102529529_100000760018 [0,1,0,1,0,0|1,0,1]=4 6739 B14R1.6685 CCOC(=O)C(F)C(=O)CCC1CC1 1458a_100000756386_100000760018 [0,1,0,1,0,0|1,0,0]=3 6740 B14R1.6686 CCOC(=O)C(C)C(=O)N1CCC1C 11a_100000755817_100132301724 [0,1,0,1,0,0|1,0,0]=3 6741 B14R1.6686 CCOC(=O)C(C)C(=O)N1CCC1C 240690a_100000755817_100132301724 [0,1,0,1,0,0|1,0,0]=3 6742 B14R1.6686 CCOC(=O)C(C)C(=O)N1CCC1C 527a_100000755817_100132301724 [0,1,0,1,0,0|1,0,0]=3 6743 B14R1.720 CCC(C)C(=O)CC(=O)N1CCCC1 1458a_100011192722_100000183516 [0,1,0,1,0,0|2,0,0]=4 6744 B14R1.720 CCC(O)C(=O)CC(=O)N1CCCC1 1458a_100011196387_100000183516 [0,1,0,1,0,0|2,0,0]=4 6745 B14R1.720 CCN(C)C(=O)CC(=O)C1CCCC1 1458a_100000210718_100011894763 [0,1,0,1,0,0|2,0,0]=4 6746 B14R1.1001 CCC(C)C(=O)C1CCCCCC1=O 1458a_100011192722_100000243696 [0,1,0,1,0,0|2,0,0]=4 6747 B14R1.1001 CCC(C)C(=O)C1CCCCNC1=O 1458a_100011192722_100000735217 [0,1,0,1,0,0|2,0,0]=4 6748 B14R1.1001 CCC(O)C(=O)C1CCCCCC1=O 1458a_100011196387_100000243696 [0,1,0,1,0,0|2,0,0]=4 6749 B14R1.1001 CCC(O)C(=O)C1CCCCNC1=O 1458a_100011196387_100000735217 [0,1,0,1,0,0|2,0,0]=4 6750 B14R1.1605 CCC1CC1C(=O)CC(=O)N(C)CC 1458a_200011661523_100011894763 [0,1,0,1,0,0|2,0,0]=4 6751 B14R1.3022 CCCCCC(=O)C1CCN(C1=O)C 1458a_100000137746_100000210326 [0,1,0,1,0,0|2,0,0]=4 6752 B14R1.3022 CCCCCC(=O)C1CCN(C1=O)C 1458a_100000212188_100000755940 [0,1,0,1,0,0|2,0,0]=4 6753 B14R1.3022 CCCCNC(=O)C1CCN(C1=O)C 11a_100000102301_100000137746 [0,1,0,1,0,0|2,0,0]=4 6754 B14R1.3022 CCCCNC(=O)C1CCN(C1=O)C 1626a_100000102301_100000137746 [0,1,0,1,0,0|2,0,0]=4 6755 B14R1.3022 CCCCNC(=O)C1CCN(C1=O)C 240690a_100000102301_100000137746 [0,1,0,1,0,0|2,0,0]=4 6756 B14R1.3022 CCCCNC(=O)C1CCN(C1=O)C 527a_100000102301_100000137746 [0,1,0,1,0,0|2,0,0]=4 6757 B14R1.3445 CCCCCC(=O)CC(=O)C1(CC1)C 1458a_100000756474_200012276598 [0,1,0,1,0,0|2,0,0]=4 6758 B14R1.3445 CCCCCC(=O)CC(=O)C1(CC1)F 1458a_100000055089_200012276598 [0,1,0,1,0,0|2,0,0]=4 6759 B14R1.3445 CCCCCC(=O)CC(=O)C1(CC1)O 1458a_100000241761_200012276598 [0,1,0,1,0,0|2,0,0]=4 6760 B14R1.3445 CCCCNC(=O)CC(=O)C1(CC1)C 1458a_100000756474_100000182744 [0,1,0,1,0,0|2,0,0]=4 6761 B14R1.3445 CCCCNC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000182744 [0,1,0,1,0,0|2,0,0]=4 6762 B14R1.3445 CCCCNC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000182744 [0,1,0,1,0,0|2,0,0]=4 6763 B14R1.3445 CCCCOC(=O)CC(=O)C1(CC1)C 1458a_100000756474_100000211628 [0,1,0,1,0,0|1,0,0]=3 6764 B14R1.3445 CCCCOC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000211628 [0,1,0,1,0,0|1,0,0]=3 6765 B14R1.3445 CCCCOC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000211628 [0,1,0,1,0,0|1,0,0]=3 6766 B14R1.3445 COCCOC(=O)CC(=O)C1(CC1)C 1458a_100000756474_200000040189 [0,1,0,1,0,0|2,0,0]=4 6767 B14R1.3445 COCCOC(=O)CC(=O)C1(CC1)F 1458a_100000055089_200000040189 [0,1,0,1,0,0|2,0,0]=4 6768 B14R1.3445 COCCOC(=O)CC(=O)C1(CC1)O 1458a_100000241761_200000040189 [0,1,0,1,0,0|2,0,0]=4 6769 B14R1.7718 CCN(C)C(=O)CC(=O)CC1CCC1 1458a_100000763092_100011894763 [0,1,0,1,0,0|2,0,0]=4 6770 B14R1.7719 CCN(C)C(=O)CC(=O)CCC1CC1 1458a_100000756386_100011894763 [0,1,0,1,0,0|2,0,0]=4 6771 B14R1.1539 CCC(C)CCC(=O)CC(=O)C1CC1 1458a_100000701222_100000746382 [0,1,0,1,0,0|2,0,0]=4 6772 B14R1.2691 CCOC(=O)CC(=O)NCC1(CC1)C 240690a_100000766693_100000243816 [0,1,0,1,0,0|1,0,0]=3 6773 B14R1.2691 CCOC(=O)CC(=O)NCC1(CC1)O 240690a_100011936951_100000243816 [0,1,0,1,0,0|1,0,0]=3 6774 B14R1.2691 CCOC(=O)CC(C)OCC1(CC1)C 7a_100000698024_100009817359 [0,1,0,1,0,0|1,0,1]=4 6775 B14R1.2691 CCOC(=O)CC(C)OCC1(CC1)F 7a_200000703853_100009817359 [0,1,0,1,0,0|1,0,1]=4 6776 B14R1.4461 CCC(C)CCC(=O)C1CCCC1=O 1458a_100000701222_100000211823 [0,1,0,1,0,0|2,0,0]=4 6777 B14R1.4461 CCC(C)CCC(=O)C1CCOC1=O 1458a_100000701222_100000211211 [0,1,0,1,0,0|1,0,0]=3 6778 B14R1.4461 CCN(C)CCC(=O)C1CCOC1=O 1458a_100000755305_100000211211 [0,1,0,1,0,0|2,0,0]=4 6779 B14R1.4461 CCS(=O)CCC(=O)C1CCOC1=O 1458a_100011387550_100000211211 [0,1,0,1,0,0|2,0,0]=4 6780 B14R1.10079 CCOC(=O)CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000243816 [0,1,0,1,0,0|1,0,0]=3 6781 B14R2.308 O=C1CCCC1C(=O)C2CCCC2 1458a_100000210718_100000211823 [0,0,0,2,0,0|2,0,0]=4 6782 B14R2.308 O=C1OCCC1C(=O)C2=CCCC2 1458a_100000038896_100000211211 [0,0,0,2,0,0|1,0,1]=4 6783 B14R2.308 O=C1OCCC1C(=O)C2CCCC2 1458a_100000210718_100000211211 [0,0,0,2,0,0|1,0,0]=3 6784 B14R2.308 O=C1OCCC1C(=O)C2CCCS2 1458a_100012002731_100000211211 [0,0,0,2,0,0|2,0,0]=4 6785 B14R2.308 O=C1OCCC1C(=O)C2CCOC2 1458a_100011219752_100000211211 [0,0,0,2,0,0|2,0,0]=4 6786 B14R2.308 O=C1OCCC1C(=O)[C@@H]2CCCO2 1458a_100000686382_100000211211 [0,0,0,2,0,0|2,0,0]=4 6787 B14R2.9899 CCCC(=O)C1C(=O)[C@H]2CC[C@@H]1C2 1458a_100000211992_200015607011 [0,0,0,2,0,0|2,0,0]=4 6788 B14R2.15286 O=C(CC(=O)C1CC1)C2CCCC2 1458a_100000210718_100000746382 [0,0,0,2,0,0|2,0,0]=4 6789 B14R2.15286 O=C(CC(=O)N1CCCC1)C2CC2 1458a_100000210395_100000183516 [0,0,0,2,0,0|2,0,0]=4 6790 B14R2.8158 O=C1CCCCCC1C(=O)C2CC2 1458a_100000210395_100000243696 [0,0,0,2,0,0|2,0,0]=4 6791 B14R2.8158 O=C1NCCCCC1C(=O)C2CC2 1458a_100000210395_100000735217 [0,0,0,2,0,0|2,0,0]=4 6792 B14R2.1997 CCC1CC1C(=O)C2CCCC2=O 1458a_200011661523_100000211823 [0,0,0,2,0,0|2,0,0]=4 6793 B14R2.1997 CCC1CC1C(=O)C2CCOC2=O 1458a_200011661523_100000211211 [0,0,0,2,0,0|1,0,0]=3 6794 B14R2.5218 O=C(C=CC1CC1)C2CCOC2=O 1458a_100102529529_100000211211 [0,0,0,2,0,0|1,0,1]=4 6795 B14R2.5218 O=C(CCC1CC1)C2CCOC2=O 1458a_100000756386_100000211211 [0,0,0,2,0,0|1,0,0]=3 6796 B14R2.5218 O=C1CCCC1C(=O)CCC2CC2 1458a_100000756386_100000211823 [0,0,0,2,0,0|2,0,0]=4 6797 B14R2.21853 O=C(C=C1CCC1)C2CCOC2=O 1458a_100000686340_100000211211 [0,0,0,2,0,0|1,0,1]=4 6798 B14R2.21853 O=C(CC1CCC1)C2CCOC2=O 1458a_100000763092_100000211211 [0,0,0,2,0,0|1,0,0]=3 6799 B14R2.21853 O=C(CC1COC1)C2CCOC2=O 1458a_100000687760_100000211211 [0,0,0,2,0,0|2,0,0]=4 6800 B14R2.21853 O=C1CCCC1C(=O)CC2CCC2 1458a_100000763092_100000211823 [0,0,0,2,0,0|2,0,0]=4 6801 B14R2.2009 CCC1CC1C(=O)CC(=O)C2CC2 1458a_200011661523_100000746382 [0,0,0,2,0,0|2,0,0]=4 6802 B14R2.31909 O=C(CC(=O)C1CC1)CC2CCC2 1458a_100000763092_100000746382 [0,0,0,2,0,0|2,0,0]=4 6803 B14R2.31927 O=C(CCC1CC1)CC(=O)C2CC2 1458a_100000756386_100000746382 [0,0,0,2,0,0|2,0,0]=4 6804 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [1,0,0,0,1,0|2,0,0]=4 6805 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [1,0,0,0,1,0|2,0,0]=4 6806 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [1,0,0,0,1,0|2,0,0]=4 6807 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [1,0,0,0,1,0|2,0,0]=4 6808 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [1,0,0,0,1,0|1,0,0]=3 6809 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [1,0,0,0,1,0|1,0,1]=4 6810 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [1,0,0,0,1,0|2,0,0]=4 6811 B10R0.19 CCCNC(=O)C(=O)NCC 1626a_100020643023_200011297158 [1,0,0,0,1,0|2,0,0]=4 6812 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100015525214_200011297150 [1,0,0,0,1,0|2,0,0]=4 6813 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100020643023_200011297158 [1,0,0,0,1,0|2,0,0]=4 6814 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100015525214_200011297150 [1,0,0,0,1,0|2,0,0]=4 6815 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100020643023_200011297158 [1,0,0,0,1,0|2,0,0]=4 6816 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [1,0,0,0,1,0|1,0,0]=3 6817 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [1,0,0,0,1,0|1,0,0]=3 6818 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [1,0,0,0,1,0|1,0,0]=3 6819 B10R0.19 CCCOC(=O)C(C)OCC 34a_100000037348_100000210202 [1,0,0,0,1,0|1,0,1]=4 6820 B10R0.19 CCCOC(=O)C(C)OCC 34a_100121572206_100000760410 [1,0,0,0,1,0|1,0,1]=4 6821 B10R0.19 CCCOC(=O)C(C)OCC 7a_100000037348_100000210202 [1,0,0,0,1,0|1,0,1]=4 6822 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [1,0,0,0,1,0|1,0,1]=4 6823 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [1,0,0,0,1,0|1,0,1]=4 6824 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [1,0,0,0,1,0|1,0,1]=4 6825 B10R0.19 CCNC(=O)C(=O)CCCF 1458a_200011297158_100011934791 [1,0,0,0,1,0|2,0,0]=4 6826 B10R0.19 CCNC(=O)C(=O)CCCO 1458a_200011297158_100011215043 [1,0,0,0,1,0|2,0,0]=4 6827 B10R0.19 CCNC(=O)C(=O)CCOC 1458a_200011297158_100000233755 [1,0,0,0,1,0|2,0,0]=4 6828 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [1,0,0,0,1,0|2,0,0]=4 6829 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [1,0,0,0,1,0|1,0,0]=3 6830 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [1,0,0,0,1,0|1,0,0]=3 6831 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100000211299_100015361967 [1,0,0,0,1,0|2,0,0]=4 6832 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100015361967_100000211299 [1,0,0,0,1,0|2,0,0]=4 6833 B10R0.19 CCOC(=O)C(=O)NCCF 11a_100000724931_100014798877 [1,0,0,0,1,0|2,0,0]=4 6834 B10R0.19 CCOC(=O)C(=O)NCCF 1626a_100000724931_100014798877 [1,0,0,0,1,0|2,0,0]=4 6835 B10R0.19 CCOC(=O)C(=O)NCCF 240690a_100000724931_100014798877 [1,0,0,0,1,0|2,0,0]=4 6836 B10R0.19 CCOC(=O)C(=O)NCCO 240690a_100000210304_100014798877 [1,0,0,0,1,0|2,0,0]=4 6837 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [1,0,0,0,1,0|2,0,0]=4 6838 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [1,0,0,0,1,0|2,0,0]=4 6839 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [1,0,0,0,1,0|2,0,0]=4 6840 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [1,0,0,0,1,0|2,0,0]=4 6841 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [1,0,0,0,1,0|1,0,0]=3 6842 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [1,0,0,0,1,0|1,0,0]=3 6843 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [1,0,0,0,1,0|1,0,0]=3 6844 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [1,0,0,0,1,0|1,0,0]=3 6845 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [1,0,0,0,1,0|1,0,1]=4 6846 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [1,0,0,0,1,0|1,0,1]=4 6847 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [1,0,0,0,1,0|1,0,1]=4 6848 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [1,0,0,0,1,0|1,0,1]=4 6849 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [1,0,0,0,1,0|1,0,1]=4 6850 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [1,0,0,0,1,0|1,0,1]=4 6851 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [1,0,0,0,1,0|1,0,1]=4 6852 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [1,0,0,0,1,0|1,0,1]=4 6853 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [1,0,0,0,1,0|1,0,1]=4 6854 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [1,0,0,0,1,0|2,0,0]=4 6855 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [1,0,0,0,1,0|2,0,0]=4 6856 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [1,0,0,0,1,0|2,0,0]=4 6857 B10R0.83 COC(=O)C(=O)NCCCF 11a_100015189416_100000024059 [1,0,0,0,1,0|2,0,0]=4 6858 B10R0.83 COC(=O)C(=O)NCCCF 1626a_100015189416_100000024059 [1,0,0,0,1,0|2,0,0]=4 6859 B10R0.83 COC(=O)C(=O)NCCCF 240690a_100015189416_100000024059 [1,0,0,0,1,0|2,0,0]=4 6860 B10R0.83 COC(=O)C(=O)NCCCF 527a_100015189416_100000024059 [1,0,0,0,1,0|2,0,0]=4 6861 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [1,0,0,0,1,0|2,0,0]=4 6862 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [1,0,0,0,1,0|2,0,0]=4 6863 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [1,0,0,0,1,0|2,0,0]=4 6864 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [1,0,0,0,1,0|2,0,0]=4 6865 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [1,0,0,0,1,0|2,0,0]=4 6866 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [1,0,0,0,1,0|2,0,0]=4 6867 B10R0.83 COCCNC(=O)C(=O)OC 1626a_100000209980_100000024059 [1,0,0,0,1,0|2,0,0]=4 6868 B10R0.83 COCCNC(=O)C(=O)OC 240690a_100000209980_100000024059 [1,0,0,0,1,0|2,0,0]=4 6869 B10R0.83 COCCNC(=O)C(=O)OC 527a_100000209980_100000024059 [1,0,0,0,1,0|2,0,0]=4 6870 B14R0.2432 C=COC(=O)CSCC(=O)OCCCC 62a_100000036128_100000211628 [0,0,0,0,0,2|0,0,2]=4 6871 B14R0.2432 C=COC(=O)CSCC(=O)OCCCC 62a_100000211628_100000036128 [0,0,0,0,0,2|0,0,2]=4 6872 B14R0.2432 CCCC#CC(=O)CCCC(=O)OCC 1458a_200011218047_100011215271 [0,0,0,0,0,2|1,0,1]=4 6873 B14R0.2432 CCCC#CC(=O)CCNC(=O)OCC 1458a_200011218047_200011445536 [0,0,0,0,0,2|1,0,1]=4 6874 B14R0.2432 CCCC(=O)CSCC(=O)OCCOC 62a_100000747444_200000040189 [0,0,0,0,0,2|2,0,0]=4 6875 B14R0.2432 CCCC(=O)CSCC(=O)OCCOC 62a_200000040189_100000747444 [0,0,0,0,0,2|2,0,0]=4 6876 B14R0.2432 CCCC=CC(=O)CCCC(=O)OCC 1458a_100000212230_100011215271 [0,0,0,0,0,2|1,0,1]=4 6877 B14R0.2432 CCCC=CC(=O)CCNC(=O)OCC 1458a_100000212230_200011445536 [0,0,0,0,0,2|1,0,1]=4 6878 B14R0.2432 CCCC=CC(=O)NCCC(=O)OCC 188690a_100000746078_100000212230 [0,0,0,0,0,2|1,0,1]=4 6879 B14R0.2432 CCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210326 [0,0,0,0,0,2|2,0,0]=4 6880 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210326 [0,0,0,0,0,2|1,0,0]=3 6881 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000212188_100011215271 [0,0,0,0,0,2|1,0,0]=3 6882 B14R0.2432 CCCCCC(=O)CCNC(=O)OCC 1458a_100000212188_200011445536 [0,0,0,0,0,2|1,0,0]=3 6883 B14R0.2432 CCCCCC(=O)CNCC(=O)NCC 2230a_100016988866_200012276598 [0,0,0,0,0,2|2,0,0]=4 6884 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_100000747444_200012276598 [0,0,0,0,0,2|2,0,0]=4 6885 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_200012276598_100000747444 [0,0,0,0,0,2|2,0,0]=4 6886 B14R0.2432 CCCCCC(=O)CSCC(=O)NCC 62a_100000183381_200012276598 [0,0,0,0,0,2|2,0,0]=4 6887 B14R0.2432 CCCCCC(=O)CSCC(=O)NCC 62a_200012276598_100000183381 [0,0,0,0,0,2|2,0,0]=4 6888 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_100000188475_200012276598 [0,0,0,0,0,2|1,0,0]=3 6889 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_200012276598_100000188475 [0,0,0,0,0,2|1,0,0]=3 6890 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000212188 [0,0,0,0,0,2|2,0,0]=4 6891 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000212188 [0,0,0,0,0,2|2,0,0]=4 6892 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000212188 [0,0,0,0,0,2|2,0,0]=4 6893 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000212188 [0,0,0,0,0,2|2,0,0]=4 6894 B14R0.2432 CCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000212188 [0,0,0,0,0,2|1,0,0]=3 6895 B14R0.2432 CCCCCC(=O)NN=CC(=O)OCC 4a_100000189784_100000742314 [0,0,0,0,0,2|1,0,1]=4 6896 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 11a_100000102301_100000199580 [0,0,0,0,0,2|2,0,0]=4 6897 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 1626a_100000102301_100000199580 [0,0,0,0,0,2|2,0,0]=4 6898 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 240690a_100000102301_100000199580 [0,0,0,0,0,2|2,0,0]=4 6899 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 527a_100000102301_100000199580 [0,0,0,0,0,2|2,0,0]=4 6900 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 11a_100000102301_100000210991 [0,0,0,0,0,2|1,0,0]=3 6901 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 1626a_100000102301_100000210991 [0,0,0,0,0,2|1,0,0]=3 6902 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 240690a_100000102301_100000210991 [0,0,0,0,0,2|1,0,0]=3 6903 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 527a_100000102301_100000210991 [0,0,0,0,0,2|1,0,0]=3 6904 B14R0.2432 CCCCNC(=O)CNCC(=O)NCC 2230a_100016988866_100000182744 [0,0,0,0,0,2|2,0,0]=4 6905 B14R0.2432 CCCCNC(=O)CSCC(=O)CCC 62a_100000182744_100000747444 [0,0,0,0,0,2|2,0,0]=4 6906 B14R0.2432 CCCCNC(=O)CSCC(=O)CCC 62a_100000747444_100000182744 [0,0,0,0,0,2|2,0,0]=4 6907 B14R0.2432 CCCCNC(=O)CSCC(=O)NCC 62a_100000182744_100000183381 [0,0,0,0,0,2|2,0,0]=4 6908 B14R0.2432 CCCCNC(=O)CSCC(=O)NCC 62a_100000183381_100000182744 [0,0,0,0,0,2|2,0,0]=4 6909 B14R0.2432 CCCCNC(=O)CSCC(=O)OCC 62a_100000182744_100000188475 [0,0,0,0,0,2|1,0,0]=3 6910 B14R0.2432 CCCCNC(=O)CSCC(=O)OCC 62a_100000188475_100000182744 [0,0,0,0,0,2|1,0,0]=3 6911 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 2708a_100000102301_100025743525 [0,0,0,0,0,2|2,0,0]=4 6912 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 273464a_100000102301_100025743525 [0,0,0,0,0,2|2,0,0]=4 6913 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 273464a_100025743525_100000102301 [0,0,0,0,0,2|2,0,0]=4 6914 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 512a_100000102301_100025743525 [0,0,0,0,0,2|2,0,0]=4 6915 B14R0.2432 CCCCNC(=O)NCCC(=O)NCC 512a_100025743525_100000102301 [0,0,0,0,0,2|2,0,0]=4 6916 B14R0.2432 CCCCOC(=O)CNCC(=O)NCC 2230a_100016988866_100000211628 [0,0,0,0,0,2|1,0,0]=3 6917 B14R0.2432 CCCCOC(=O)CSCC(=O)CCC 62a_100000211628_100000747444 [0,0,0,0,0,2|1,0,0]=3 6918 B14R0.2432 CCCCOC(=O)CSCC(=O)CCC 62a_100000747444_100000211628 [0,0,0,0,0,2|1,0,0]=3 6919 B14R0.2432 CCCCOC(=O)CSCC(=O)NCC 62a_100000183381_100000211628 [0,0,0,0,0,2|1,0,0]=3 6920 B14R0.2432 CCCCOC(=O)CSCC(=O)NCC 62a_100000211628_100000183381 [0,0,0,0,0,2|1,0,0]=3 6921 B14R0.2432 CCCCOC(=O)CSCC(=O)NCO 62a_100000185155_100000211628 [0,0,0,0,0,2|2,0,0]=4 6922 B14R0.2432 CCCCOC(=O)CSCC(=O)NCO 62a_100000211628_100000185155 [0,0,0,0,0,2|2,0,0]=4 6923 B14R0.2432 CCCCOC(=O)CSCC(=O)OCC 62a_100000188475_100000211628 [0,0,0,0,0,2|0,0,0]=2 6924 B14R0.2432 CCCCOC(=O)CSCC(=O)OCC 62a_100000211628_100000188475 [0,0,0,0,0,2|0,0,0]=2 6925 B14R0.2432 CCCNNC(=O)CCCC(=O)OCC 22a_100000740057_100000210991 [0,0,0,0,0,2|2,0,0]=4 6926 B14R0.2432 CCCOCC(=O)CCCC(=O)OCC 1458a_100000745993_100011215271 [0,0,0,0,0,2|2,0,0]=4 6927 B14R0.2432 CCCOCC(=O)CCNC(=O)OCC 1458a_100000745993_200011445536 [0,0,0,0,0,2|2,0,0]=4 6928 B14R0.2432 CCCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000745993 [0,0,0,0,0,2|2,0,0]=4 6929 B14R0.2432 CCCSCC(=O)CCCC(=O)OCC 1458a_100000217233_100011215271 [0,0,0,0,0,2|2,0,0]=4 6930 B14R0.2432 CCCSCC(=O)CCNC(=O)OCC 1458a_100000217233_200011445536 [0,0,0,0,0,2|2,0,0]=4 6931 B14R0.2432 CCCSCC(=O)NCCC(=O)OCC 188690a_100000746078_100000217233 [0,0,0,0,0,2|2,0,0]=4 6932 B14R0.2432 CCNC(=O)CNCC(=O)OCCOC 2230a_100016988866_200000040189 [0,0,0,0,0,2|2,0,0]=4 6933 B14R0.2432 CCNC(=O)CSCC(=O)OCCOC 62a_100000183381_200000040189 [0,0,0,0,0,2|2,0,0]=4 6934 B14R0.2432 CCNC(=O)CSCC(=O)OCCOC 62a_200000040189_100000183381 [0,0,0,0,0,2|2,0,0]=4 6935 B14R0.2432 CCOC(=O)CCCC(=O)CCCCF 1458a_100000210991_100000729493 [0,0,0,0,0,2|2,0,0]=4 6936 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000210991_100000210776 [0,0,0,0,0,2|2,0,0]=4 6937 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215271 [0,0,0,0,0,2|2,0,0]=4 6938 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000210991_100000740836 [0,0,0,0,0,2|2,0,0]=4 6939 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000741012_100011215271 [0,0,0,0,0,2|2,0,0]=4 6940 B14R0.2432 CCOC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011215271 [0,0,0,0,0,2|2,0,0]=4 6941 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000210991_100000757381 [0,0,0,0,0,2|2,0,0]=4 6942 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000230768_100011215271 [0,0,0,0,0,2|2,0,0]=4 6943 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 11a_100015189416_100000210991 [0,0,0,0,0,2|2,0,0]=4 6944 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 1626a_100015189416_100000210991 [0,0,0,0,0,2|2,0,0]=4 6945 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 240690a_100015189416_100000210991 [0,0,0,0,0,2|2,0,0]=4 6946 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 527a_100015189416_100000210991 [0,0,0,0,0,2|2,0,0]=4 6947 B14R0.2432 CCOC(=O)CCCC(=O)NCCCO 240690a_100000182051_100000210991 [0,0,0,0,0,2|2,0,0]=4 6948 B14R0.2432 CCOC(=O)CCCC(=O)NCCCO 527a_100000182051_100000210991 [0,0,0,0,0,2|2,0,0]=4 6949 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 1626a_100000209980_100000210991 [0,0,0,0,0,2|2,0,0]=4 6950 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 240690a_100000209980_100000210991 [0,0,0,0,0,2|2,0,0]=4 6951 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 527a_100000209980_100000210991 [0,0,0,0,0,2|2,0,0]=4 6952 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 11a_100020590264_100000210991 [0,0,0,0,0,2|2,0,0]=4 6953 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 1626a_100020590264_100000210991 [0,0,0,0,0,2|2,0,0]=4 6954 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 240690a_100020590264_100000210991 [0,0,0,0,0,2|2,0,0]=4 6955 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 527a_100020590264_100000210991 [0,0,0,0,0,2|2,0,0]=4 6956 B14R0.2432 CCOC(=O)CCNC(=O)CCCCO 188690a_100000746078_100000695505 [0,0,0,0,0,2|2,0,0]=4 6957 B14R0.2432 CCOC(=O)CCNC(=O)CCCOC 188690a_100000746078_100000741012 [0,0,0,0,0,2|2,0,0]=4 6958 B14R0.2432 CCOC(=O)CCNC(=O)CCCSC 188690a_100000746078_100000173376 [0,0,0,0,0,2|2,0,0]=4 6959 B14R0.2432 CCOC(=O)CCNC(=O)CCSCC 188690a_100000746078_100000230768 [0,0,0,0,0,2|2,0,0]=4 6960 B14R0.2432 CCOC(=O)CNCC(=O)NCCOC 2230a_100000754632_100000188475 [0,0,0,0,0,2|2,0,0]=4 6961 B14R0.2432 CCOC(=O)CSCC(=O)NCCOC 62a_100000183275_100000188475 [0,0,0,0,0,2|2,0,0]=4 6962 B14R0.2432 CCOC(=O)CSCC(=O)NCCOC 62a_100000188475_100000183275 [0,0,0,0,0,2|2,0,0]=4 6963 B14R0.2432 CCOC(=O)CSCC(=O)OCCOC 62a_100000188475_200000040189 [0,0,0,0,0,2|1,0,0]=3 6964 B14R0.2432 CCOC(=O)CSCC(=O)OCCOC 62a_200000040189_100000188475 [0,0,0,0,0,2|1,0,0]=3 6965 B14R0.2432 CCOC(=O)NCCC(=O)CCCCO 1458a_100000695505_200011445536 [0,0,0,0,0,2|2,0,0]=4 6966 B14R0.2432 CCOC(=O)NCCC(=O)CCCOC 1458a_100000741012_200011445536 [0,0,0,0,0,2|2,0,0]=4 6967 B14R0.2432 CCOC(=O)NCCC(=O)CCCSC 1458a_100000173376_200011445536 [0,0,0,0,0,2|2,0,0]=4 6968 B14R0.2432 CCOC(=O)NCCC(=O)CCSCC 1458a_100000230768_200011445536 [0,0,0,0,0,2|2,0,0]=4 6969 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000210991_100011215890 [0,0,0,0,0,2|2,0,0]=4 6970 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000749530_100011215271 [0,0,0,0,0,2|2,0,0]=4 6971 B14R0.2432 CCOCCC(=O)CCNC(=O)OCC 1458a_100000749530_200011445536 [0,0,0,0,0,2|2,0,0]=4 6972 B14R0.2432 CCOCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000749530 [0,0,0,0,0,2|2,0,0]=4