0 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000731252 [0,0,0,0,0,0|1,0,2]=3 1 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000690238_100011215454 [0,0,0,0,0,0|1,0,2]=3 2 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCO 1458a_100000690238_100009813290 [0,0,0,0,0,0|2,0,2]=4 3 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 11a_100000684558_100000690238 [0,0,0,0,0,0|2,0,2]=4 4 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000690238 [0,0,0,0,0,0|2,0,2]=4 5 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000690238 [0,0,0,0,0,0|2,0,2]=4 6 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 527a_100000684558_100000690238 [0,0,0,0,0,0|2,0,2]=4 7 B17R0.3110 C#CCCCCCCCOCC(=O)CCCCC 34a_100000054614_200012276598 [0,0,0,0,0,0|2,0,2]=4 8 B17R0.3110 C#CCCCCCCCOCC(=O)CCCCC 7a_100000054614_200012276598 [0,0,0,0,0,0|2,0,2]=4 9 B17R0.3110 C#CCCCCCCCOCC(=O)NCCCC 34a_100000054614_100000182744 [0,0,0,0,0,0|2,0,2]=4 10 B17R0.3110 C#CCCCCCCCOCC(=O)NCCCC 7a_100000054614_100000182744 [0,0,0,0,0,0|2,0,2]=4 11 B17R0.3110 C#CCCCCCCCOCC(=O)OCCCC 34a_100000054614_100000211628 [0,0,0,0,0,0|1,0,2]=3 12 B17R0.3110 C#CCCCCCCCOCC(=O)OCCCC 7a_100000054614_100000211628 [0,0,0,0,0,0|1,0,2]=3 13 B17R0.3110 C#CCCCCCCCOCC(=O)OCCOC 34a_100000054614_200000040189 [0,0,0,0,0,0|2,0,2]=4 14 B17R0.3110 C#CCCCCCCCOCC(=O)OCCOC 7a_100000054614_200000040189 [0,0,0,0,0,0|2,0,2]=4 15 B17R0.3110 C#CCCCCCCCSCC(=O)CCCCC 62a_100153394163_200012276598 [0,0,0,0,0,0|2,0,2]=4 16 B17R0.3110 C#CCCCCCCCSCC(=O)CCCCC 62a_200012276598_100153394163 [0,0,0,0,0,0|2,0,2]=4 17 B17R0.3110 C#CCCCCCCCSCC(=O)NCCCC 62a_100000182744_100153394163 [0,0,0,0,0,0|2,0,2]=4 18 B17R0.3110 C#CCCCCCCCSCC(=O)NCCCC 62a_100153394163_100000182744 [0,0,0,0,0,0|2,0,2]=4 19 B17R0.3110 C#CCCCCCCCSCC(=O)OCCCC 62a_100000211628_100153394163 [0,0,0,0,0,0|1,0,2]=3 20 B17R0.3110 C#CCCCCCCCSCC(=O)OCCCC 62a_100153394163_100000211628 [0,0,0,0,0,0|1,0,2]=3 21 B17R0.3110 C#CCCCCCCCSCC(=O)OCCOC 62a_100153394163_200000040189 [0,0,0,0,0,0|2,0,2]=4 22 B17R0.3110 C#CCCCCCCCSCC(=O)OCCOC 62a_200000040189_100153394163 [0,0,0,0,0,0|2,0,2]=4 23 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 11a_100000755551_100000210736 [0,0,0,0,0,0|1,0,2]=3 24 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 1626a_100000755551_100000210736 [0,0,0,0,0,0|1,0,2]=3 25 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 240690a_100000755551_100000210736 [0,0,0,0,0,0|1,0,2]=3 26 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCO 240690a_100000755551_200000016029 [0,0,0,0,0,0|2,0,2]=4 27 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 2708a_100000684558_100000755551 [0,0,0,0,0,0|2,0,2]=4 28 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 2708a_100000755551_100000684558 [0,0,0,0,0,0|2,0,2]=4 29 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 273464a_100000684558_100000755551 [0,0,0,0,0,0|2,0,2]=4 30 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 273464a_100000755551_100000684558 [0,0,0,0,0,0|2,0,2]=4 31 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 512a_100000684558_100000755551 [0,0,0,0,0,0|2,0,2]=4 32 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 512a_100000755551_100000684558 [0,0,0,0,0,0|2,0,2]=4 33 B17R0.3110 C#CCCOC(C)CCCCCCCCCCC 34a_100011217895_100000688953 [0,0,0,0,0,0|1,0,3]=4 34 B17R0.3110 C#CCCOC(C)CCCCCCCCCCC 7a_100011217895_100000688953 [0,0,0,0,0,0|1,0,3]=4 35 B17R0.3110 C#CCOCC(=O)CCCCCCCCCCC 1458a_100011251226_100011215454 [0,0,0,0,0,0|2,0,2]=4 36 B17R0.3110 C/C=C/C=CC(=O)CCCCCCCCCCC 1458a_100000185730_100011215454 [0,0,0,0,0,0|1,0,3]=4 37 B17R0.3110 C/C=C/COC(C)CCCCCCCCCCC 34a_100011217895_100102629194 [0,0,0,0,0,0|1,0,3]=4 38 B17R0.3110 C/C=C/COC(C)CCCCCCCCCCC 7a_100011217895_100102629194 [0,0,0,0,0,0|1,0,3]=4 39 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000757094 [0,0,0,0,0,0|1,0,2]=3 40 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000766728_100011215454 [0,0,0,0,0,0|1,0,2]=3 41 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCO 1458a_100000766728_100009813290 [0,0,0,0,0,0|2,0,2]=4 42 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 11a_100000684558_100000766728 [0,0,0,0,0,0|2,0,2]=4 43 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000766728 [0,0,0,0,0,0|2,0,2]=4 44 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000766728 [0,0,0,0,0,0|2,0,2]=4 45 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 527a_100000684558_100000766728 [0,0,0,0,0,0|2,0,2]=4 46 B17R0.3110 C=CCCCCCCCCCC(=O)C#CCCC 1458a_200011218047_100009814027 [0,0,0,0,0,0|1,0,3]=4 47 B17R0.3110 C=CCCCCCCCCCC(=O)C=CCCC 1458a_100000212230_100009814027 [0,0,0,0,0,0|1,0,3]=4 48 B17R0.3110 C=CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100009814027 [0,0,0,0,0,0|1,0,2]=3 49 B17R0.3110 C=CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100009814027 [0,0,0,0,0,0|2,0,2]=4 50 B17R0.3110 C=CCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100009814027 [0,0,0,0,0,0|2,0,2]=4 51 B17R0.3110 C=CCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100009814027 [0,0,0,0,0,0|2,0,2]=4 52 B17R0.3110 C=CCCCCCCCCCC(=O)CCOCC 1458a_100000749530_100009814027 [0,0,0,0,0,0|2,0,2]=4 53 B17R0.3110 C=CCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100009814027 [0,0,0,0,0,0|2,0,2]=4 54 B17R0.3110 C=CCCCCCCCCCC(=O)COCCC 1458a_100000745993_100009814027 [0,0,0,0,0,0|2,0,2]=4 55 B17R0.3110 C=CCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100009814027 [0,0,0,0,0,0|2,0,2]=4 56 B17R0.3110 C=CCCCCCCCOCC(=O)CCCCC 34a_100000730831_200012276598 [0,0,0,0,0,0|2,0,2]=4 57 B17R0.3110 C=CCCCCCCCOCC(=O)CCCCC 7a_100000730831_200012276598 [0,0,0,0,0,0|2,0,2]=4 58 B17R0.3110 C=CCCCCCCCOCC(=O)NCCCC 34a_100000730831_100000182744 [0,0,0,0,0,0|2,0,2]=4 59 B17R0.3110 C=CCCCCCCCOCC(=O)NCCCC 7a_100000730831_100000182744 [0,0,0,0,0,0|2,0,2]=4 60 B17R0.3110 C=CCCCCCCCOCC(=O)OCCCC 34a_100000730831_100000211628 [0,0,0,0,0,0|1,0,2]=3 61 B17R0.3110 C=CCCCCCCCOCC(=O)OCCCC 7a_100000730831_100000211628 [0,0,0,0,0,0|1,0,2]=3 62 B17R0.3110 C=CCCCCCCCOCC(=O)OCCOC 34a_100000730831_200000040189 [0,0,0,0,0,0|2,0,2]=4 63 B17R0.3110 C=CCCCCCCCOCC(=O)OCCOC 7a_100000730831_200000040189 [0,0,0,0,0,0|2,0,2]=4 64 B17R0.3110 C=CCCCCCCCSCC(=O)CCCCC 62a_100012355270_200012276598 [0,0,0,0,0,0|2,0,2]=4 65 B17R0.3110 C=CCCCCCCCSCC(=O)CCCCC 62a_200012276598_100012355270 [0,0,0,0,0,0|2,0,2]=4 66 B17R0.3110 C=CCCCCCCCSCC(=O)NCCCC 62a_100000182744_100012355270 [0,0,0,0,0,0|2,0,2]=4 67 B17R0.3110 C=CCCCCCCCSCC(=O)NCCCC 62a_100012355270_100000182744 [0,0,0,0,0,0|2,0,2]=4 68 B17R0.3110 C=CCCCCCCCSCC(=O)OCCCC 62a_100000211628_100012355270 [0,0,0,0,0,0|1,0,2]=3 69 B17R0.3110 C=CCCCCCCCSCC(=O)OCCCC 62a_100012355270_100000211628 [0,0,0,0,0,0|1,0,2]=3 70 B17R0.3110 C=CCCCCCCCSCC(=O)OCCOC 62a_100012355270_200000040189 [0,0,0,0,0,0|2,0,2]=4 71 B17R0.3110 C=CCCCCCCCSCC(=O)OCCOC 62a_200000040189_100012355270 [0,0,0,0,0,0|2,0,2]=4 72 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 11a_100015191253_100000210736 [0,0,0,0,0,0|1,0,2]=3 73 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 1626a_100015191253_100000210736 [0,0,0,0,0,0|1,0,2]=3 74 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 240690a_100015191253_100000210736 [0,0,0,0,0,0|1,0,2]=3 75 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCO 240690a_100015191253_200000016029 [0,0,0,0,0,0|2,0,2]=4 76 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 2708a_100000684558_100015191253 [0,0,0,0,0,0|2,0,2]=4 77 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 2708a_100015191253_100000684558 [0,0,0,0,0,0|2,0,2]=4 78 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 273464a_100000684558_100015191253 [0,0,0,0,0,0|2,0,2]=4 79 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 273464a_100015191253_100000684558 [0,0,0,0,0,0|2,0,2]=4 80 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 512a_100000684558_100015191253 [0,0,0,0,0,0|2,0,2]=4 81 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 512a_100015191253_100000684558 [0,0,0,0,0,0|2,0,2]=4 82 B17R0.3110 C=CCCOC(C)CCCCCCCCCCC 34a_100011217895_100000754431 [0,0,0,0,0,0|1,0,3]=4 83 B17R0.3110 C=CCCOC(C)CCCCCCCCCCC 7a_100011217895_100000754431 [0,0,0,0,0,0|1,0,3]=4 84 B17R0.3110 C=CCNNC(=O)CCCCCCCCCCC 22a_100020588587_100000210736 [0,0,0,0,0,0|2,0,2]=4 85 B17R0.3110 C=CCSCC(=O)CCCCCCCCCCC 1458a_100000230395_100011215454 [0,0,0,0,0,0|2,0,2]=4 86 B17R0.3110 C=COCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000039644 [0,0,0,0,0,0|2,0,2]=4 87 B17R0.3110 CC#CCNC(=O)CCCCCCCCCCC 11a_100000685387_100000210736 [0,0,0,0,0,0|1,0,2]=3 88 B17R0.3110 CC#CCNC(=O)CCCCCCCCCCC 1626a_100000685387_100000210736 [0,0,0,0,0,0|1,0,2]=3 89 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCC 2708a_100000684558_100000685387 [0,0,0,0,0,0|2,0,2]=4 90 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCC 273464a_100000684558_100000685387 [0,0,0,0,0,0|2,0,2]=4 91 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCC 273464a_100000685387_100000684558 [0,0,0,0,0,0|2,0,2]=4 92 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCC 512a_100000684558_100000685387 [0,0,0,0,0,0|2,0,2]=4 93 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCC 512a_100000685387_100000684558 [0,0,0,0,0,0|2,0,2]=4 94 B17R0.3110 CC#CCOC(C)CCCCCCCCCCC 34a_100011217895_100000748600 [0,0,0,0,0,0|1,0,3]=4 95 B17R0.3110 CC#CCOC(C)CCCCCCCCCCC 7a_100011217895_100000748600 [0,0,0,0,0,0|1,0,3]=4 96 B17R0.3110 CC/C=C/CC(=O)CCCCCCCCCCC 1458a_100016274230_100011215454 [0,0,0,0,0,0|1,0,2]=3 97 B17R0.3110 CC/C=C/CC(=O)CCCCCCCCCCO 1458a_100016274230_100009813290 [0,0,0,0,0,0|2,0,2]=4 98 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC 11a_100000684558_100016274230 [0,0,0,0,0,0|2,0,2]=4 99 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC 1626a_100000684558_100016274230 [0,0,0,0,0,0|2,0,2]=4 100 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC 240690a_100000684558_100016274230 [0,0,0,0,0,0|2,0,2]=4 101 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC 527a_100000684558_100016274230 [0,0,0,0,0,0|2,0,2]=4 102 B17R0.3110 CC/C=C\CC(=O)CCCCCCCCCCC 1458a_100000210736_100103147603 [0,0,0,0,0,0|1,0,2]=3 103 B17R0.3110 CC/C=C\CCCCCOCC(=O)CCCCC 34a_100016268722_200012276598 [0,0,0,0,0,0|2,0,2]=4 104 B17R0.3110 CC/C=C\CCCCCOCC(=O)CCCCC 7a_100016268722_200012276598 [0,0,0,0,0,0|2,0,2]=4 105 B17R0.3110 CC/C=C\CCCCCOCC(=O)NCCCC 34a_100016268722_100000182744 [0,0,0,0,0,0|2,0,2]=4 106 B17R0.3110 CC/C=C\CCCCCOCC(=O)NCCCC 7a_100016268722_100000182744 [0,0,0,0,0,0|2,0,2]=4 107 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCCC 34a_100016268722_100000211628 [0,0,0,0,0,0|1,0,2]=3 108 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCCC 7a_100016268722_100000211628 [0,0,0,0,0,0|1,0,2]=3 109 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCOC 34a_100016268722_200000040189 [0,0,0,0,0,0|2,0,2]=4 110 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCOC 7a_100016268722_200000040189 [0,0,0,0,0,0|2,0,2]=4 111 B17R0.3110 CC=CCOC(C)CCCCCCCCCCC 34a_100011217895_100000070051 [0,0,0,0,0,0|1,0,3]=4 112 B17R0.3110 CC=CCOC(C)CCCCCCCCCCC 7a_100011217895_100000070051 [0,0,0,0,0,0|1,0,3]=4 113 B17R0.3110 CCC#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100009813939 [0,0,0,0,0,0|1,0,2]=3 114 B17R0.3110 CCC=NNC(=O)CCCCCCCCCCC 4a_200011219152_100000210100 [0,0,0,0,0,0|2,0,1]=3 115 B17R0.3110 CCCC#CC(=O)CCCCCCCCCCC 1458a_200011218047_100011215454 [0,0,0,0,0,0|1,0,1]=2 116 B17R0.3110 CCCC#CC(=O)CCCCCCCCCCO 1458a_200011218047_100009813290 [0,0,0,0,0,0|2,0,1]=3 117 B17R0.3110 CCCC#CC(=O)NCCCCCCCCCC 240690a_100000684558_200011218047 [0,0,0,0,0,0|2,0,1]=3 118 B17R0.3110 CCCC#CC(=O)NCCCCCCCCCO 240690a_100000078944_200011218047 [0,0,0,0,0,0|3,0,1]=4 119 B17R0.3110 CCCC=CC(=O)CCCCCCCCCCC 1458a_100000212230_100011215454 [0,0,0,0,0,0|1,0,1]=2 120 B17R0.3110 CCCC=CC(=O)CCCCCCCCCCO 1458a_100000212230_100009813290 [0,0,0,0,0,0|2,0,1]=3 121 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000212230 [0,0,0,0,0,0|2,0,1]=3 122 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000212230 [0,0,0,0,0,0|2,0,1]=3 123 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000212230 [0,0,0,0,0,0|2,0,1]=3 124 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100000212230 [0,0,0,0,0,0|3,0,1]=4 125 B17R0.3110 CCCCC#CCCCSCC(=O)CCCCC 62a_200000047210_200012276598 [0,0,0,0,0,0|2,0,2]=4 126 B17R0.3110 CCCCC#CCCCSCC(=O)CCCCC 62a_200012276598_200000047210 [0,0,0,0,0,0|2,0,2]=4 127 B17R0.3110 CCCCC#CCCCSCC(=O)NCCCC 62a_100000182744_200000047210 [0,0,0,0,0,0|2,0,2]=4 128 B17R0.3110 CCCCC#CCCCSCC(=O)NCCCC 62a_200000047210_100000182744 [0,0,0,0,0,0|2,0,2]=4 129 B17R0.3110 CCCCC#CCCCSCC(=O)OCCCC 62a_100000211628_200000047210 [0,0,0,0,0,0|1,0,2]=3 130 B17R0.3110 CCCCC#CCCCSCC(=O)OCCCC 62a_200000047210_100000211628 [0,0,0,0,0,0|1,0,2]=3 131 B17R0.3110 CCCCC#CCCCSCC(=O)OCCOC 62a_200000040189_200000047210 [0,0,0,0,0,0|2,0,2]=4 132 B17R0.3110 CCCCC#CCCCSCC(=O)OCCOC 62a_200000047210_200000040189 [0,0,0,0,0,0|2,0,2]=4 133 B17R0.3110 CCCCC/C=C\CCOCC(=O)CCCCC 34a_100016277358_200012276598 [0,0,0,0,0,0|2,0,2]=4 134 B17R0.3110 CCCCC/C=C\CCOCC(=O)CCCCC 7a_100016277358_200012276598 [0,0,0,0,0,0|2,0,2]=4 135 B17R0.3110 CCCCC/C=C\CCOCC(=O)NCCCC 34a_100016277358_100000182744 [0,0,0,0,0,0|2,0,2]=4 136 B17R0.3110 CCCCC/C=C\CCOCC(=O)NCCCC 7a_100016277358_100000182744 [0,0,0,0,0,0|2,0,2]=4 137 B17R0.3110 CCCCC/C=C\CCOCC(=O)OCCCC 34a_100016277358_100000211628 [0,0,0,0,0,0|1,0,2]=3 138 B17R0.3110 CCCCC/C=C\CCOCC(=O)OCCCC 7a_100016277358_100000211628 [0,0,0,0,0,0|1,0,2]=3 139 B17R0.3110 CCCCC/C=C\CCOCC(=O)OCCOC 34a_100016277358_200000040189 [0,0,0,0,0,0|2,0,2]=4 140 B17R0.3110 CCCCC/C=C\CCOCC(=O)OCCOC 7a_100016277358_200000040189 [0,0,0,0,0,0|2,0,2]=4 141 B17R0.3110 CCCCCC#CCCOCC(=O)CCCCC 34a_200000042877_200012276598 [0,0,0,0,0,0|2,0,2]=4 142 B17R0.3110 CCCCCC#CCCOCC(=O)CCCCC 7a_200000042877_200012276598 [0,0,0,0,0,0|2,0,2]=4 143 B17R0.3110 CCCCCC#CCCOCC(=O)NCCCC 34a_200000042877_100000182744 [0,0,0,0,0,0|2,0,2]=4 144 B17R0.3110 CCCCCC#CCCOCC(=O)NCCCC 7a_200000042877_100000182744 [0,0,0,0,0,0|2,0,2]=4 145 B17R0.3110 CCCCCC#CCCOCC(=O)OCCCC 34a_200000042877_100000211628 [0,0,0,0,0,0|1,0,2]=3 146 B17R0.3110 CCCCCC#CCCOCC(=O)OCCCC 7a_200000042877_100000211628 [0,0,0,0,0,0|1,0,2]=3 147 B17R0.3110 CCCCCC#CCCOCC(=O)OCCOC 34a_200000042877_200000040189 [0,0,0,0,0,0|2,0,2]=4 148 B17R0.3110 CCCCCC#CCCOCC(=O)OCCOC 7a_200000042877_200000040189 [0,0,0,0,0,0|2,0,2]=4 149 B17R0.3110 CCCCCC(=O)CCCCCCCCCCO 1458a_100000212188_100009813290 [0,0,0,0,0,0|2,0,0]=2 150 B17R0.3110 CCCCCC(=O)CNCCCCCCCCO 2230a_102515433106_200012276598 [0,0,0,0,0,0|3,0,0]=3 151 B17R0.3110 CCCCCC(=O)CNCCCCCCCCO 34a_102515433106_200012276598 [0,0,0,0,0,0|3,0,0]=3 152 B17R0.3110 CCCCCC(=O)CNCCOCCOCCC 2230a_200011904461_200012276598 [0,0,0,0,0,0|4,0,0]=4 153 B17R0.3110 CCCCCC(=O)CNCCOCCOCCC 34a_200011904461_200012276598 [0,0,0,0,0,0|4,0,0]=4 154 B17R0.3110 CCCCCC(=O)COCCCCCCCCBr 34a_100009813846_200012276598 [0,0,0,0,0,0|3,0,0]=3 155 B17R0.3110 CCCCCC(=O)COCCCCCCCCBr 7a_100009813846_200012276598 [0,0,0,0,0,0|3,0,0]=3 156 B17R0.3110 CCCCCC(=O)COCCCCCCCCCl 34a_100000033203_200012276598 [0,0,0,0,0,0|3,0,0]=3 157 B17R0.3110 CCCCCC(=O)COCCCCCCCCCl 7a_100000033203_200012276598 [0,0,0,0,0,0|3,0,0]=3 158 B17R0.3110 CCCCCC(=O)COCCCCCCCCN 34a_102515433106_200012276598 [0,0,0,0,0,0|3,0,0]=3 159 B17R0.3110 CCCCCC(=O)COCCCCCNCCN 34a_103619048469_200012276598 [0,0,0,0,0,0|4,0,0]=4 160 B17R0.3110 CCCCCC(=O)COCCCCNCCCC 34a_200011216965_200012276598 [0,0,0,0,0,0|3,0,0]=3 161 B17R0.3110 CCCCCC(=O)COCCCCOCCCC 34a_200000760531_200012276598 [0,0,0,0,0,0|3,0,0]=3 162 B17R0.3110 CCCCCC(=O)COCCCCOCCCC 7a_200000760531_200012276598 [0,0,0,0,0,0|3,0,0]=3 163 B17R0.3110 CCCCCC(=O)COCCCOCCCOC 34a_200011215475_200012276598 [0,0,0,0,0,0|4,0,0]=4 164 B17R0.3110 CCCCCC(=O)COCCCOCCCOC 7a_200011215475_200012276598 [0,0,0,0,0,0|4,0,0]=4 165 B17R0.3110 CCCCCC(=O)CSCCCCCCCCO 62a_100000033203_200012276598 [0,0,0,0,0,0|3,0,0]=3 166 B17R0.3110 CCCCCC(=O)CSCCCCCCCCO 62a_200012276598_100000033203 [0,0,0,0,0,0|3,0,0]=3 167 B17R0.3110 CCCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000212188 [0,0,0,0,0,0|3,0,0]=3 168 B17R0.3110 CCCCCC/C=C/COCC(=O)CCCCC 34a_200016276170_200012276598 [0,0,0,0,0,0|2,0,2]=4 169 B17R0.3110 CCCCCC/C=C/COCC(=O)CCCCC 7a_200016276170_200012276598 [0,0,0,0,0,0|2,0,2]=4 170 B17R0.3110 CCCCCC/C=C/COCC(=O)NCCCC 34a_200016276170_100000182744 [0,0,0,0,0,0|2,0,2]=4 171 B17R0.3110 CCCCCC/C=C/COCC(=O)NCCCC 7a_200016276170_100000182744 [0,0,0,0,0,0|2,0,2]=4 172 B17R0.3110 CCCCCC/C=C/COCC(=O)OCCCC 34a_200016276170_100000211628 [0,0,0,0,0,0|1,0,2]=3 173 B17R0.3110 CCCCCC/C=C/COCC(=O)OCCCC 7a_200016276170_100000211628 [0,0,0,0,0,0|1,0,2]=3 174 B17R0.3110 CCCCCC/C=C/COCC(=O)OCCOC 34a_200016276170_200000040189 [0,0,0,0,0,0|2,0,2]=4 175 B17R0.3110 CCCCCC/C=C/COCC(=O)OCCOC 7a_200016276170_200000040189 [0,0,0,0,0,0|2,0,2]=4 176 B17R0.3110 CCCCCCC#CCOCC(=O)CCCCC 34a_200000037284_200012276598 [0,0,0,0,0,0|2,0,2]=4 177 B17R0.3110 CCCCCCC#CCOCC(=O)CCCCC 7a_200000037284_200012276598 [0,0,0,0,0,0|2,0,2]=4 178 B17R0.3110 CCCCCCC#CCOCC(=O)NCCCC 34a_200000037284_100000182744 [0,0,0,0,0,0|2,0,2]=4 179 B17R0.3110 CCCCCCC#CCOCC(=O)NCCCC 7a_200000037284_100000182744 [0,0,0,0,0,0|2,0,2]=4 180 B17R0.3110 CCCCCCC#CCOCC(=O)OCCCC 34a_200000037284_100000211628 [0,0,0,0,0,0|1,0,2]=3 181 B17R0.3110 CCCCCCC#CCOCC(=O)OCCCC 7a_200000037284_100000211628 [0,0,0,0,0,0|1,0,2]=3 182 B17R0.3110 CCCCCCC#CCOCC(=O)OCCOC 34a_200000037284_200000040189 [0,0,0,0,0,0|2,0,2]=4 183 B17R0.3110 CCCCCCC#CCOCC(=O)OCCOC 7a_200000037284_200000040189 [0,0,0,0,0,0|2,0,2]=4 184 B17R0.3110 CCCCCCCCC=NNC(=O)CCCCC 4a_100000189784_100011218696 [0,0,0,0,0,0|3,0,1]=4 185 B17R0.3110 CCCCCCCCCC=CC(=O)CCCCC 1458a_200015352897_100000210326 [0,0,0,0,0,0|1,0,2]=3 186 B17R0.3110 CCCCCCCCCC=CC(=O)CCCCF 1458a_200015352897_100000729493 [0,0,0,0,0,0|2,0,2]=4 187 B17R0.3110 CCCCCCCCCC=CC(=O)CCCCO 1458a_200015352897_100000210776 [0,0,0,0,0,0|2,0,2]=4 188 B17R0.3110 CCCCCCCCCC=CC(=O)CCCOC 1458a_200015352897_100000740836 [0,0,0,0,0,0|2,0,2]=4 189 B17R0.3110 CCCCCCCCCC=CC(=O)CCOCC 1458a_200015352897_100011215890 [0,0,0,0,0,0|2,0,2]=4 190 B17R0.3110 CCCCCCCCCC=CC(=O)CCSCC 1458a_200015352897_100000757381 [0,0,0,0,0,0|2,0,2]=4 191 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCC 11a_100000102301_200015352897 [0,0,0,0,0,0|1,0,2]=3 192 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCC 1626a_100000102301_200015352897 [0,0,0,0,0,0|1,0,2]=3 193 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCC 240690a_100000102301_200015352897 [0,0,0,0,0,0|1,0,2]=3 194 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCF 11a_100015189416_200015352897 [0,0,0,0,0,0|2,0,2]=4 195 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCF 1626a_100015189416_200015352897 [0,0,0,0,0,0|2,0,2]=4 196 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCF 240690a_100015189416_200015352897 [0,0,0,0,0,0|2,0,2]=4 197 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCO 240690a_100000182051_200015352897 [0,0,0,0,0,0|2,0,2]=4 198 B17R0.3110 CCCCCCCCCC=CC(=O)NCCOC 1626a_100000209980_200015352897 [0,0,0,0,0,0|2,0,2]=4 199 B17R0.3110 CCCCCCCCCC=CC(=O)NCCOC 240690a_100000209980_200015352897 [0,0,0,0,0,0|2,0,2]=4 200 B17R0.3110 CCCCCCCCCC=CC(=O)NCCSC 11a_100020590264_200015352897 [0,0,0,0,0,0|2,0,2]=4 201 B17R0.3110 CCCCCCCCCC=CC(=O)NCCSC 1626a_100020590264_200015352897 [0,0,0,0,0,0|2,0,2]=4 202 B17R0.3110 CCCCCCCCCC=CC(=O)NCCSC 240690a_100020590264_200015352897 [0,0,0,0,0,0|2,0,2]=4 203 B17R0.3110 CCCCCCCCCC=CC(=O)NNCCC 22a_100000740057_200015352897 [0,0,0,0,0,0|2,0,2]=4 204 B17R0.3110 CCCCCCCCCCCC(=NNCCC)C 4a_100000740057_100011216755 [0,0,0,0,0,0|3,0,0]=3 205 B17R0.3110 CCCCCCCCCCCC(=NNCCO)C 4a_100000210001_100011216755 [0,0,0,0,0,0|4,0,0]=4 206 B17R0.3110 CCCCCCCCCCCC(=O)C=CCOC 1458a_100016285016_100011215454 [0,0,0,0,0,0|2,0,1]=3 207 B17R0.3110 CCCCCCCCCCCC(=O)C=COCC 1458a_100016266692_100011215454 [0,0,0,0,0,0|2,0,1]=3 208 B17R0.3110 CCCCCCCCCCCC(=O)CC#CCO 1458a_100000210736_200000047223 [0,0,0,0,0,0|2,0,2]=4 209 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100011215454 [0,0,0,0,0,0|2,0,1]=3 210 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000210736_100000211468 [0,0,0,0,0,0|2,0,1]=3 211 B17R0.3110 CCCCCCCCCCCC(=O)CCCCF 1458a_100000210736_100000729493 [0,0,0,0,0,0|2,0,0]=2 212 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000210736_100000210776 [0,0,0,0,0,0|2,0,0]=2 213 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100011215454 [0,0,0,0,0,0|2,0,0]=2 214 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000210736_100000740836 [0,0,0,0,0,0|2,0,0]=2 215 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100011215454 [0,0,0,0,0,0|2,0,0]=2 216 B17R0.3110 CCCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100011215454 [0,0,0,0,0,0|2,0,0]=2 217 B17R0.3110 CCCCCCCCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100011215454 [0,0,0,0,0,0|4,0,0]=4 218 B17R0.3110 CCCCCCCCCCCC(=O)CCOCC 1458a_100000210736_100011215890 [0,0,0,0,0,0|2,0,0]=2 219 B17R0.3110 CCCCCCCCCCCC(=O)CCOCC 1458a_100000749530_100011215454 [0,0,0,0,0,0|2,0,0]=2 220 B17R0.3110 CCCCCCCCCCCC(=O)CCSCC 1458a_100000210736_100000757381 [0,0,0,0,0,0|2,0,0]=2 221 B17R0.3110 CCCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100011215454 [0,0,0,0,0,0|2,0,0]=2 222 B17R0.3110 CCCCCCCCCCCC(=O)COCCC 1458a_100000745993_100011215454 [0,0,0,0,0,0|2,0,0]=2 223 B17R0.3110 CCCCCCCCCCCC(=O)COCCO 1458a_100000708028_100011215454 [0,0,0,0,0,0|3,0,0]=3 224 B17R0.3110 CCCCCCCCCCCC(=O)CSCC#N 1458a_100000150266_100011215454 [0,0,0,0,0,0|3,0,1]=4 225 B17R0.3110 CCCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100011215454 [0,0,0,0,0,0|2,0,0]=2 226 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 11a_100000720768_100000210736 [0,0,0,0,0,0|2,0,1]=3 227 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 1626a_100000720768_100000210736 [0,0,0,0,0,0|2,0,1]=3 228 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 240690a_100000720768_100000210736 [0,0,0,0,0,0|2,0,1]=3 229 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210736 [0,0,0,0,0,0|1,0,0]=1 230 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210736 [0,0,0,0,0,0|1,0,0]=1 231 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210736 [0,0,0,0,0,0|1,0,0]=1 232 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210736 [0,0,0,0,0,0|2,0,0]=2 233 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210736 [0,0,0,0,0,0|2,0,0]=2 234 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210736 [0,0,0,0,0,0|2,0,0]=2 235 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210736 [0,0,0,0,0,0|2,0,0]=2 236 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210736 [0,0,0,0,0,0|2,0,0]=2 237 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210736 [0,0,0,0,0,0|2,0,0]=2 238 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 34a_100007860320_200000210301 [0,0,0,0,0,0|2,0,0]=2 239 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 7a_100007860320_200000210301 [0,0,0,0,0,0|2,0,0]=2 240 B17R0.3110 CCCCCCCCCCCC(=O)NCCO[13CH3] 34a_100007860320_200025704644 [0,0,0,0,0,0|2,0,0]=2 241 B17R0.3110 CCCCCCCCCCCC(=O)NCCO[13CH3] 7a_100007860320_200025704644 [0,0,0,0,0,0|2,0,0]=2 242 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210736 [0,0,0,0,0,0|2,0,0]=2 243 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210736 [0,0,0,0,0,0|2,0,0]=2 244 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210736 [0,0,0,0,0,0|2,0,0]=2 245 B17R0.3110 CCCCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210736 [0,0,0,0,0,0|2,0,0]=2 246 B17R0.3110 CCCCCCCCCCCC(=O)NNCCO 22a_100000210001_100000210736 [0,0,0,0,0,0|3,0,0]=3 247 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 2230a_106832991635_100000091854 [0,0,0,0,0,0|1,0,0]=1 248 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 34a_100102657272_100000091854 [0,0,0,0,0,0|1,0,0]=1 249 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 7a_106832991635_100000091854 [0,0,0,0,0,0|1,0,0]=1 250 B17R0.3110 CCCCCCCCCCCC(=O)OCCOC 34a_100138415774_100000091854 [0,0,0,0,0,0|1,0,0]=1 251 B17R0.3110 CCCCCCCCCCCC(=O)OCCSC 62a_200000210301_100000091854 [0,0,0,0,0,0|1,0,0]=1 252 B17R0.3110 CCCCCCCCCCCC(=O)OCCS[13CH3] 62a_200025704644_100000091854 [0,0,0,0,0,0|1,0,0]=1 253 B17R0.3110 CCCCCCCCCCCC(=O)OCNCC 2230a_100015525214_100020644155 [0,0,0,0,0,0|1,0,0]=1 254 B17R0.3110 CCCCCCCCCCCC(=O)OCOCC 34a_100121572206_100020644155 [0,0,0,0,0,0|1,0,0]=1 255 B17R0.3110 CCCCCCCCCCCC(=O)OCSCC 62a_100000210202_100020644155 [0,0,0,0,0,0|1,0,0]=1 256 B17R0.3110 CCCCCCCCCCCC(=O)OCSCF 62a_100015361967_100020644155 [0,0,0,0,0,0|2,0,0]=2 257 B17R0.3110 CCCCCCCCCCCC(C)NCCCC 270004a_100000102301_100011216755 [0,0,0,0,0,0|2,0,1]=3 258 B17R0.3110 CCCCCCCCCCCC(C)NCCCF 270004a_100015189416_100011216755 [0,0,0,0,0,0|3,0,1]=4 259 B17R0.3110 CCCCCCCCCCCC(C)NCCCO 270004a_100000182051_100011216755 [0,0,0,0,0,0|3,0,1]=4 260 B17R0.3110 CCCCCCCCCCCC(C)NCCOC 270004a_100000209980_100011216755 [0,0,0,0,0,0|3,0,1]=4 261 B17R0.3110 CCCCCCCCCCCC(C)NCCSC 270004a_100020590264_100011216755 [0,0,0,0,0,0|3,0,1]=4 262 B17R0.3110 CCCCCCCCCCCC(C)OCCC#N 7a_100011217895_100000184422 [0,0,0,0,0,0|2,0,2]=4 263 B17R0.3110 CCCCCCCCCCCC(C)OCCCF 34a_100011217895_100011934791 [0,0,0,0,0,0|2,0,1]=3 264 B17R0.3110 CCCCCCCCCCCC(C)OCCCF 7a_100011217895_100011934791 [0,0,0,0,0,0|2,0,1]=3 265 B17R0.3110 CCCCCCCCCCCC(C)OCCCO 34a_100011217895_100000230001 [0,0,0,0,0,0|2,0,1]=3 266 B17R0.3110 CCCCCCCCCCCC(C)OCCCO 7a_100011217895_100011215043 [0,0,0,0,0,0|2,0,1]=3 267 B17R0.3110 CCCCCCCCCCCC(C)OCCOC 34a_100011217895_100011201679 [0,0,0,0,0,0|2,0,1]=3 268 B17R0.3110 CCCCCCCCCCCC(C)OCCOC 7a_100011217895_100000233755 [0,0,0,0,0,0|2,0,1]=3 269 B17R0.3110 CCCCCCCCCCCC(C)OCCSC 34a_100011217895_100000212216 [0,0,0,0,0,0|2,0,1]=3 270 B17R0.3110 CCCCCCCCCCCC(C)OCCSC 7a_100011217895_100000212216 [0,0,0,0,0,0|2,0,1]=3 271 B17R0.3110 CCCCCCCCCCCN(C)CCCCC 2230a_100000223495_100011215454 [0,0,0,0,0,0|3,0,0]=3 272 B17R0.3110 CCCCCCCCCCCN(C)CCCCC 269982a_100000223495_100011215454 [0,0,0,0,0,0|3,0,0]=3 273 B17R0.3110 CCCCCCCCCCCN(C)CCCCO 2230a_100000717598_100011215454 [0,0,0,0,0,0|4,0,0]=4 274 B17R0.3110 CCCCCCCCCCCN(C)CCCCO 269982a_100000717598_100011215454 [0,0,0,0,0,0|4,0,0]=4 275 B17R0.3110 CCCCCCCCCCCN(C)CCCOC 2230a_100000224831_100011215454 [0,0,0,0,0,0|4,0,0]=4 276 B17R0.3110 CCCCCCCCCCCN(C)CCCOC 269982a_100000224831_100011215454 [0,0,0,0,0,0|4,0,0]=4 277 B17R0.3110 CCCCCCCCCCNC(=O)C=CCOC 11a_100000684558_100016285016 [0,0,0,0,0,0|3,0,1]=4 278 B17R0.3110 CCCCCCCCCCNC(=O)C=CCOC 1626a_100000684558_100016285016 [0,0,0,0,0,0|3,0,1]=4 279 B17R0.3110 CCCCCCCCCCNC(=O)C=CCOC 240690a_100000684558_100016285016 [0,0,0,0,0,0|3,0,1]=4 280 B17R0.3110 CCCCCCCCCCNC(=O)C=COCC 11a_100000684558_100016266692 [0,0,0,0,0,0|3,0,1]=4 281 B17R0.3110 CCCCCCCCCCNC(=O)C=COCC 1626a_100000684558_100016266692 [0,0,0,0,0,0|3,0,1]=4 282 B17R0.3110 CCCCCCCCCCNC(=O)C=COCC 240690a_100000684558_100016266692 [0,0,0,0,0,0|3,0,1]=4 283 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 11a_100000684558_100000075515 [0,0,0,0,0,0|3,0,1]=4 284 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 1626a_100000684558_100000075515 [0,0,0,0,0,0|3,0,1]=4 285 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 240690a_100000684558_100000075515 [0,0,0,0,0,0|3,0,1]=4 286 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 527a_100000684558_100000075515 [0,0,0,0,0,0|3,0,1]=4 287 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 11a_100000684558_100000212188 [0,0,0,0,0,0|2,0,0]=2 288 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 1626a_100000684558_100000212188 [0,0,0,0,0,0|2,0,0]=2 289 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 240690a_100000684558_100000212188 [0,0,0,0,0,0|2,0,0]=2 290 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 527a_100000684558_100000212188 [0,0,0,0,0,0|2,0,0]=2 291 B17R0.3110 CCCCCCCCCCNC(=O)CCCCO 1626a_100000684558_100000695505 [0,0,0,0,0,0|3,0,0]=3 292 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 11a_100000684558_100000741012 [0,0,0,0,0,0|3,0,0]=3 293 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 1626a_100000684558_100000741012 [0,0,0,0,0,0|3,0,0]=3 294 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 240690a_100000684558_100000741012 [0,0,0,0,0,0|3,0,0]=3 295 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 527a_100000684558_100000741012 [0,0,0,0,0,0|3,0,0]=3 296 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 11a_100000684558_100000173376 [0,0,0,0,0,0|3,0,0]=3 297 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 1626a_100000684558_100000173376 [0,0,0,0,0,0|3,0,0]=3 298 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 240690a_100000684558_100000173376 [0,0,0,0,0,0|3,0,0]=3 299 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 527a_100000684558_100000173376 [0,0,0,0,0,0|3,0,0]=3 300 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 11a_100000684558_100000749530 [0,0,0,0,0,0|3,0,0]=3 301 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 1626a_100000684558_100000749530 [0,0,0,0,0,0|3,0,0]=3 302 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 240690a_100000684558_100000749530 [0,0,0,0,0,0|3,0,0]=3 303 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 527a_100000684558_100000749530 [0,0,0,0,0,0|3,0,0]=3 304 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 11a_100000684558_100000230768 [0,0,0,0,0,0|3,0,0]=3 305 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 1626a_100000684558_100000230768 [0,0,0,0,0,0|3,0,0]=3 306 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 240690a_100000684558_100000230768 [0,0,0,0,0,0|3,0,0]=3 307 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 527a_100000684558_100000230768 [0,0,0,0,0,0|3,0,0]=3 308 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 11a_100000684558_100000745993 [0,0,0,0,0,0|3,0,0]=3 309 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 1626a_100000684558_100000745993 [0,0,0,0,0,0|3,0,0]=3 310 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 240690a_100000684558_100000745993 [0,0,0,0,0,0|3,0,0]=3 311 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 527a_100000684558_100000745993 [0,0,0,0,0,0|3,0,0]=3 312 B17R0.3110 CCCCCCCCCCNC(=O)COCCO 1626a_100000684558_100000708028 [0,0,0,0,0,0|4,0,0]=4 313 B17R0.3110 CCCCCCCCCCNC(=O)COCCO 240690a_100000684558_100000708028 [0,0,0,0,0,0|4,0,0]=4 314 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 11a_100000684558_100000217233 [0,0,0,0,0,0|3,0,0]=3 315 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 1626a_100000684558_100000217233 [0,0,0,0,0,0|3,0,0]=3 316 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 240690a_100000684558_100000217233 [0,0,0,0,0,0|3,0,0]=3 317 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 527a_100000684558_100000217233 [0,0,0,0,0,0|3,0,0]=3 318 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 2708a_100000684558_100000720768 [0,0,0,0,0,0|3,0,1]=4 319 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 2708a_100000720768_100000684558 [0,0,0,0,0,0|3,0,1]=4 320 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 273464a_100000684558_100000720768 [0,0,0,0,0,0|3,0,1]=4 321 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 273464a_100000720768_100000684558 [0,0,0,0,0,0|3,0,1]=4 322 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 512a_100000684558_100000720768 [0,0,0,0,0,0|3,0,1]=4 323 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 512a_100000720768_100000684558 [0,0,0,0,0,0|3,0,1]=4 324 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000684558 [0,0,0,0,0,0|2,0,0]=2 325 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 2708a_100000684558_100000102301 [0,0,0,0,0,0|2,0,0]=2 326 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000684558 [0,0,0,0,0,0|2,0,0]=2 327 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 273464a_100000684558_100000102301 [0,0,0,0,0,0|2,0,0]=2 328 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 512a_100000102301_100000684558 [0,0,0,0,0,0|2,0,0]=2 329 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 512a_100000684558_100000102301 [0,0,0,0,0,0|2,0,0]=2 330 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 2708a_100000684558_100015189416 [0,0,0,0,0,0|3,0,0]=3 331 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 2708a_100015189416_100000684558 [0,0,0,0,0,0|3,0,0]=3 332 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 273464a_100000684558_100015189416 [0,0,0,0,0,0|3,0,0]=3 333 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 273464a_100015189416_100000684558 [0,0,0,0,0,0|3,0,0]=3 334 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 512a_100000684558_100015189416 [0,0,0,0,0,0|3,0,0]=3 335 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 512a_100015189416_100000684558 [0,0,0,0,0,0|3,0,0]=3 336 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 2708a_100000684558_100000182051 [0,0,0,0,0,0|3,0,0]=3 337 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 273464a_100000182051_100000684558 [0,0,0,0,0,0|3,0,0]=3 338 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 273464a_100000684558_100000182051 [0,0,0,0,0,0|3,0,0]=3 339 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 512a_100000684558_100000182051 [0,0,0,0,0,0|3,0,0]=3 340 B17R0.3110 CCCCCCCCCCNC(=O)NCCOC 2708a_100000684558_100000209980 [0,0,0,0,0,0|3,0,0]=3 341 B17R0.3110 CCCCCCCCCCNC(=O)NCCOC 273464a_100000209980_100000684558 [0,0,0,0,0,0|3,0,0]=3 342 B17R0.3110 CCCCCCCCCCNC(=O)NCCOC 273464a_100000684558_100000209980 [0,0,0,0,0,0|3,0,0]=3 343 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 2708a_100000684558_100020590264 [0,0,0,0,0,0|3,0,0]=3 344 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 2708a_100020590264_100000684558 [0,0,0,0,0,0|3,0,0]=3 345 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 273464a_100000684558_100020590264 [0,0,0,0,0,0|3,0,0]=3 346 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 273464a_100020590264_100000684558 [0,0,0,0,0,0|3,0,0]=3 347 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 512a_100000684558_100020590264 [0,0,0,0,0,0|3,0,0]=3 348 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 512a_100020590264_100000684558 [0,0,0,0,0,0|3,0,0]=3 349 B17R0.3110 CCCCCCCCCCNC(=O)NNCCC 273464a_100000684558_100000740057 [0,0,0,0,0,0|3,0,0]=3 350 B17R0.3110 CCCCCCCCCCNC(=O)NNCCC 512a_100000684558_100000740057 [0,0,0,0,0,0|3,0,0]=3 351 B17R0.3110 CCCCCCCCCCNC(=O)NNCCC 512a_100000740057_100000684558 [0,0,0,0,0,0|3,0,0]=3 352 B17R0.3110 CCCCCCCCCCNC(=O)NNCCO 273464a_100000684558_100000210001 [0,0,0,0,0,0|4,0,0]=4 353 B17R0.3110 CCCCCCCCCCNC(=O)NNCCO 512a_100000684558_100000210001 [0,0,0,0,0,0|4,0,0]=4 354 B17R0.3110 CCCCCCCCCCNC(C)CCCCC 2230a_100000211957_100000210320 [0,0,0,0,0,0|3,0,1]=4 355 B17R0.3110 CCCCCCCCCCNC(C)CCCCC 2230a_100000684558_200011218191 [0,0,0,0,0,0|3,0,1]=4 356 B17R0.3110 CCCCCCCCCCNC(C)CCCCC 270004a_100000684558_100000211708 [0,0,0,0,0,0|3,0,1]=4 357 B17R0.3110 CCCCCCCCCCNC(C)CCCCC 34a_100000684558_200011218191 [0,0,0,0,0,0|3,0,1]=4 358 B17R0.3110 CCCCCCCCCCOC(=O)CNCCF 34a_100000724931_100000210668 [0,0,0,0,0,0|4,0,0]=4 359 B17R0.3110 CCCCCCCCCCOC(=O)CNCCO 2230a_100016997473_100000210668 [0,0,0,0,0,0|4,0,0]=4 360 B17R0.3110 CCCCCCCCCCOC(=O)CNCCO 34a_100016990907_100000210668 [0,0,0,0,0,0|4,0,0]=4 361 B17R0.3110 CCCCCCCCCCOC(=O)COCCBr 34a_100000211926_100000210668 [0,0,0,0,0,0|4,0,0]=4 362 B17R0.3110 CCCCCCCCCCOC(=O)COCCC 34a_100000210258_100000210668 [0,0,0,0,0,0|3,0,0]=3 363 B17R0.3110 CCCCCCCCCCOC(=O)COCCN 34a_100000210304_100000210668 [0,0,0,0,0,0|4,0,0]=4 364 B17R0.3110 CCCCCCCCCCOC(=O)CSCCC 62a_100000210303_100000680656 [0,0,0,0,0,0|3,0,0]=3 365 B17R0.3110 CCCCCCCCCCOC(=O)CSCCC 62a_100000680656_100000210303 [0,0,0,0,0,0|3,0,0]=3 366 B17R0.3110 CCCCCCCCCCOC(=O)CSCCF 62a_100000680656_100011217306 [0,0,0,0,0,0|4,0,0]=4 367 B17R0.3110 CCCCCCCCCCOC(=O)CSCCF 62a_100011217306_100000680656 [0,0,0,0,0,0|4,0,0]=4 368 B17R0.3110 CCCCCCCCCCOC(=O)CSCCO 62a_100000211926_100000680656 [0,0,0,0,0,0|4,0,0]=4 369 B17R0.3110 CCCCCCCCCCOC(=O)CSCCO 62a_100000680656_100000211926 [0,0,0,0,0,0|4,0,0]=4 370 B17R0.3110 CCCCCCCCCCOC(=O)CSCOC 62a_100000680656_100000766300 [0,0,0,0,0,0|4,0,0]=4 371 B17R0.3110 CCCCCCCCCCOC(=O)CSCOC 62a_100000766300_100000680656 [0,0,0,0,0,0|4,0,0]=4 372 B17R0.3110 CCCCCCCCCCOC(=O)CSCSC 62a_100000680656_100011218213 [0,0,0,0,0,0|4,0,0]=4 373 B17R0.3110 CCCCCCCCCCOC(=O)CSCSC 62a_100011218213_100000680656 [0,0,0,0,0,0|4,0,0]=4 374 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 2230a_100000212291_200012276598 [0,0,0,0,0,0|2,0,0]=2 375 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 34a_100000212291_200012276598 [0,0,0,0,0,0|2,0,0]=2 376 B17R0.3110 CCCCCCCCCNCC(=O)NCCCC 2230a_100000212291_100000182744 [0,0,0,0,0,0|2,0,0]=2 377 B17R0.3110 CCCCCCCCCNCC(=O)NCCCC 34a_100000212291_100000182744 [0,0,0,0,0,0|2,0,0]=2 378 B17R0.3110 CCCCCCCCCNCC(=O)NCCOC 2230a_100000212291_100000183275 [0,0,0,0,0,0|3,0,0]=3 379 B17R0.3110 CCCCCCCCCNCC(=O)NCCOC 2230a_100000754632_100011214924 [0,0,0,0,0,0|3,0,0]=3 380 B17R0.3110 CCCCCCCCCNCC(=O)NCCOC 34a_100000212291_100000183275 [0,0,0,0,0,0|3,0,0]=3 381 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 2230a_100000212291_100000211628 [0,0,0,0,0,0|1,0,0]=1 382 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 34a_100000212291_100000211628 [0,0,0,0,0,0|1,0,0]=1 383 B17R0.3110 CCCCCCCCCNCC(=O)OCCOC 2230a_100000212291_200000040189 [0,0,0,0,0,0|2,0,0]=2 384 B17R0.3110 CCCCCCCCCNCC(=O)OCCOC 34a_100000212291_200000040189 [0,0,0,0,0,0|2,0,0]=2 385 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 34a_100000210712_200012276598 [0,0,0,0,0,0|2,0,0]=2 386 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 7a_100000210712_200012276598 [0,0,0,0,0,0|2,0,0]=2 387 B17R0.3110 CCCCCCCCCOCC(=O)NCCCC 34a_100000210712_100000182744 [0,0,0,0,0,0|2,0,0]=2 388 B17R0.3110 CCCCCCCCCOCC(=O)NCCCC 7a_100000210712_100000182744 [0,0,0,0,0,0|2,0,0]=2 389 B17R0.3110 CCCCCCCCCOCC(=O)NCCOC 34a_100000210712_100000183275 [0,0,0,0,0,0|3,0,0]=3 390 B17R0.3110 CCCCCCCCCOCC(=O)NCCOC 7a_100000210712_100000183275 [0,0,0,0,0,0|3,0,0]=3 391 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 34a_100000210712_100000211628 [0,0,0,0,0,0|1,0,0]=1 392 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 7a_100000210712_100000211628 [0,0,0,0,0,0|1,0,0]=1 393 B17R0.3110 CCCCCCCCCOCC(=O)OCCOC 34a_100000210712_200000040189 [0,0,0,0,0,0|2,0,0]=2 394 B17R0.3110 CCCCCCCCCOCC(=O)OCCOC 7a_100000210712_200000040189 [0,0,0,0,0,0|2,0,0]=2 395 B17R0.3110 CCCCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210670 [0,0,0,0,0,0|2,0,0]=2 396 B17R0.3110 CCCCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210670 [0,0,0,0,0,0|2,0,0]=2 397 B17R0.3110 CCCCCCCCCSCC(=O)NCCOC 62a_100000183275_100000210670 [0,0,0,0,0,0|3,0,0]=3 398 B17R0.3110 CCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210670 [0,0,0,0,0,0|1,0,0]=1 399 B17R0.3110 CCCCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210670 [0,0,0,0,0,0|2,0,0]=2 400 B17R0.3110 CCCCCCOCCOCC(=O)CCCCC 34a_100000691444_200012276598 [0,0,0,0,0,0|3,0,0]=3 401 B17R0.3110 CCCCCCOCCOCC(=O)CCCCC 7a_100000691444_200012276598 [0,0,0,0,0,0|3,0,0]=3 402 B17R0.3110 CCCCCCOCCOCC(=O)NCCCC 34a_100000691444_100000182744 [0,0,0,0,0,0|3,0,0]=3 403 B17R0.3110 CCCCCCOCCOCC(=O)NCCCC 7a_100000691444_100000182744 [0,0,0,0,0,0|3,0,0]=3 404 B17R0.3110 CCCCCCOCCOCC(=O)NCCOC 34a_100000691444_100000183275 [0,0,0,0,0,0|4,0,0]=4 405 B17R0.3110 CCCCCCOCCOCC(=O)NCCOC 7a_100000691444_100000183275 [0,0,0,0,0,0|4,0,0]=4 406 B17R0.3110 CCCCCCOCCOCC(=O)OCCCC 34a_100000691444_100000211628 [0,0,0,0,0,0|2,0,0]=2 407 B17R0.3110 CCCCCCOCCOCC(=O)OCCCC 7a_100000691444_100000211628 [0,0,0,0,0,0|2,0,0]=2 408 B17R0.3110 CCCCCCOCCOCC(=O)OCCOC 34a_100000691444_200000040189 [0,0,0,0,0,0|3,0,0]=3 409 B17R0.3110 CCCCCCOCCOCC(=O)OCCOC 7a_100000691444_200000040189 [0,0,0,0,0,0|3,0,0]=3 410 B17R0.3110 CCCCCN(C)CCCCCCCCCCO 2230a_100000223495_100009813290 [0,0,0,0,0,0|4,0,0]=4 411 B17R0.3110 CCCCCN(C)CCCCCCCCCCO 269982a_100000223495_100009813290 [0,0,0,0,0,0|4,0,0]=4 412 B17R0.3110 CCCCNC(=O)CCCCCCCCCCO 240690a_100000102301_200000016029 [0,0,0,0,0,0|2,0,0]=2 413 B17R0.3110 CCCCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000182744 [0,0,0,0,0,0|3,0,0]=3 414 B17R0.3110 CCCCNC(=O)CNCCCCCCCCO 34a_102515433106_100000182744 [0,0,0,0,0,0|3,0,0]=3 415 B17R0.3110 CCCCNC(=O)CNCCOCCOCCC 2230a_200011904461_100000182744 [0,0,0,0,0,0|4,0,0]=4 416 B17R0.3110 CCCCNC(=O)CNCCOCCOCCC 34a_200011904461_100000182744 [0,0,0,0,0,0|4,0,0]=4 417 B17R0.3110 CCCCNC(=O)COCCCCCCCCBr 34a_100009813846_100000182744 [0,0,0,0,0,0|3,0,0]=3 418 B17R0.3110 CCCCNC(=O)COCCCCCCCCBr 7a_100009813846_100000182744 [0,0,0,0,0,0|3,0,0]=3 419 B17R0.3110 CCCCNC(=O)COCCCCCCCCCl 34a_100000033203_100000182744 [0,0,0,0,0,0|3,0,0]=3 420 B17R0.3110 CCCCNC(=O)COCCCCCCCCCl 7a_100000033203_100000182744 [0,0,0,0,0,0|3,0,0]=3 421 B17R0.3110 CCCCNC(=O)COCCCCCCCCN 34a_102515433106_100000182744 [0,0,0,0,0,0|3,0,0]=3 422 B17R0.3110 CCCCNC(=O)COCCCCCNCCN 34a_103619048469_100000182744 [0,0,0,0,0,0|4,0,0]=4 423 B17R0.3110 CCCCNC(=O)COCCCCOCCCC 34a_200000760531_100000182744 [0,0,0,0,0,0|3,0,0]=3 424 B17R0.3110 CCCCNC(=O)COCCCCOCCCC 7a_200000760531_100000182744 [0,0,0,0,0,0|3,0,0]=3 425 B17R0.3110 CCCCNC(=O)COCCCOCCCOC 34a_200011215475_100000182744 [0,0,0,0,0,0|4,0,0]=4 426 B17R0.3110 CCCCNC(=O)COCCCOCCCOC 7a_200011215475_100000182744 [0,0,0,0,0,0|4,0,0]=4 427 B17R0.3110 CCCCNC(=O)CSCCCCCCCCO 62a_100000033203_100000182744 [0,0,0,0,0,0|3,0,0]=3 428 B17R0.3110 CCCCNC(=O)CSCCCCCCCCO 62a_100000182744_100000033203 [0,0,0,0,0,0|3,0,0]=3 429 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000102301 [0,0,0,0,0,0|3,0,0]=3 430 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 2708a_100000102301_100000078944 [0,0,0,0,0,0|3,0,0]=3 431 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000102301 [0,0,0,0,0,0|3,0,0]=3 432 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 273464a_100000102301_100000078944 [0,0,0,0,0,0|3,0,0]=3 433 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000102301 [0,0,0,0,0,0|3,0,0]=3 434 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 512a_100000102301_100000078944 [0,0,0,0,0,0|3,0,0]=3 435 B17R0.3110 CCCCNCCCCOCC(=O)NCCCC 34a_200011216965_100000182744 [0,0,0,0,0,0|3,0,0]=3 436 B17R0.3110 CCCCNCCCCOCC(=O)NCCOC 34a_200011216965_100000183275 [0,0,0,0,0,0|4,0,0]=4 437 B17R0.3110 CCCCNCCCCOCC(=O)OCCCC 34a_200011216965_100000211628 [0,0,0,0,0,0|2,0,0]=2 438 B17R0.3110 CCCCNCCCCOCC(=O)OCCOC 34a_200011216965_200000040189 [0,0,0,0,0,0|3,0,0]=3 439 B17R0.3110 CCCCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000211628 [0,0,0,0,0,0|2,0,0]=2 440 B17R0.3110 CCCCOC(=O)CNCCCCCCCCO 34a_102515433106_100000211628 [0,0,0,0,0,0|2,0,0]=2 441 B17R0.3110 CCCCOC(=O)CNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000211628 [0,0,0,0,0,0|4,0,0]=4 442 B17R0.3110 CCCCOC(=O)CNCCOCCOCCC 2230a_200011904461_100000211628 [0,0,0,0,0,0|3,0,0]=3 443 B17R0.3110 CCCCOC(=O)CNCCOCCOCCC 34a_200011904461_100000211628 [0,0,0,0,0,0|3,0,0]=3 444 B17R0.3110 CCCCOC(=O)CNCCOCCOCCO 2230a_100011998139_100000211628 [0,0,0,0,0,0|4,0,0]=4 445 B17R0.3110 CCCCOC(=O)CNCCOCCOCCO 34a_100011998139_100000211628 [0,0,0,0,0,0|4,0,0]=4 446 B17R0.3110 CCCCOC(=O)COCCCCCCCCBr 34a_100009813846_100000211628 [0,0,0,0,0,0|2,0,0]=2 447 B17R0.3110 CCCCOC(=O)COCCCCCCCCBr 7a_100009813846_100000211628 [0,0,0,0,0,0|2,0,0]=2 448 B17R0.3110 CCCCOC(=O)COCCCCCCCCCl 34a_100000033203_100000211628 [0,0,0,0,0,0|2,0,0]=2 449 B17R0.3110 CCCCOC(=O)COCCCCCCCCCl 7a_100000033203_100000211628 [0,0,0,0,0,0|2,0,0]=2 450 B17R0.3110 CCCCOC(=O)COCCCCCCCCN 34a_102515433106_100000211628 [0,0,0,0,0,0|2,0,0]=2 451 B17R0.3110 CCCCOC(=O)COCCCCCNCCN 34a_103619048469_100000211628 [0,0,0,0,0,0|3,0,0]=3 452 B17R0.3110 CCCCOC(=O)COCCCOCCCOC 34a_200011215475_100000211628 [0,0,0,0,0,0|3,0,0]=3 453 B17R0.3110 CCCCOC(=O)COCCCOCCCOC 7a_200011215475_100000211628 [0,0,0,0,0,0|3,0,0]=3 454 B17R0.3110 CCCCOC(=O)COCCOCCOCCBr 34a_100010132937_100000211628 [0,0,0,0,0,0|4,0,0]=4 455 B17R0.3110 CCCCOC(=O)COCCOCCOCCBr 7a_100010132937_100000211628 [0,0,0,0,0,0|4,0,0]=4 456 B17R0.3110 CCCCOC(=O)COCCOCCOCCCl 34a_100000032323_100000211628 [0,0,0,0,0,0|4,0,0]=4 457 B17R0.3110 CCCCOC(=O)COCCOCCOCCCl 7a_100000032323_100000211628 [0,0,0,0,0,0|4,0,0]=4 458 B17R0.3110 CCCCOC(=O)COCCOCCOCCN 34a_100011998139_100000211628 [0,0,0,0,0,0|4,0,0]=4 459 B17R0.3110 CCCCOC(=O)CSCCCCCCCCO 62a_100000033203_100000211628 [0,0,0,0,0,0|2,0,0]=2 460 B17R0.3110 CCCCOC(=O)CSCCCCCCCCO 62a_100000211628_100000033203 [0,0,0,0,0,0|2,0,0]=2 461 B17R0.3110 CCCCOC(=O)CSCCOCCOCCO 62a_100000032323_100000211628 [0,0,0,0,0,0|4,0,0]=4 462 B17R0.3110 CCCCOC(=O)CSCCOCCOCCO 62a_100000211628_100000032323 [0,0,0,0,0,0|4,0,0]=4 463 B17R0.3110 CCCCOCCCCOCC(=O)NCCOC 34a_200000760531_100000183275 [0,0,0,0,0,0|4,0,0]=4 464 B17R0.3110 CCCCOCCCCOCC(=O)NCCOC 7a_200000760531_100000183275 [0,0,0,0,0,0|4,0,0]=4 465 B17R0.3110 CCCCOCCCCOCC(=O)OCCCC 34a_200000760531_100000211628 [0,0,0,0,0,0|2,0,0]=2 466 B17R0.3110 CCCCOCCCCOCC(=O)OCCCC 7a_200000760531_100000211628 [0,0,0,0,0,0|2,0,0]=2 467 B17R0.3110 CCCCOCCCCOCC(=O)OCCOC 34a_200000760531_200000040189 [0,0,0,0,0,0|3,0,0]=3 468 B17R0.3110 CCCCOCCCCOCC(=O)OCCOC 7a_200000760531_200000040189 [0,0,0,0,0,0|3,0,0]=3 469 B17R0.3110 CCCNNC(=O)CCCCCCCCCCO 22a_100000740057_200000016029 [0,0,0,0,0,0|3,0,0]=3 470 B17R0.3110 CCCNNC(=O)NCCCCCCCCCO 273464a_100000078944_100000740057 [0,0,0,0,0,0|4,0,0]=4 471 B17R0.3110 CCCNNC(=O)NCCCCCCCCCO 512a_100000078944_100000740057 [0,0,0,0,0,0|4,0,0]=4 472 B17R0.3110 CCCNNC(=O)NCCCCCCCCCO 512a_100000740057_100000078944 [0,0,0,0,0,0|4,0,0]=4 473 B17R0.3110 CCCOCC(=O)CCCCCCCCCCO 1458a_100000745993_100009813290 [0,0,0,0,0,0|3,0,0]=3 474 B17R0.3110 CCCOCC(=O)NCCCCCCCCCO 240690a_100000078944_100000745993 [0,0,0,0,0,0|4,0,0]=4 475 B17R0.3110 CCCOCCOCCNCC(=O)OCCOC 2230a_200011904461_200000040189 [0,0,0,0,0,0|4,0,0]=4 476 B17R0.3110 CCCOCCOCCNCC(=O)OCCOC 34a_200011904461_200000040189 [0,0,0,0,0,0|4,0,0]=4 477 B17R0.3110 CCCSCC(=O)CCCCCCCCCCO 1458a_100000217233_100009813290 [0,0,0,0,0,0|3,0,0]=3 478 B17R0.3110 CCCSCC(=O)NCCCCCCCCCO 240690a_100000078944_100000217233 [0,0,0,0,0,0|4,0,0]=4 479 B17R0.3110 CCOC=CC(=O)CCCCCCCCCCO 1458a_100016266692_100009813290 [0,0,0,0,0,0|3,0,1]=4 480 B17R0.3110 CCOCCC(=O)CCCCCCCCCCO 1458a_100000749530_100009813290 [0,0,0,0,0,0|3,0,0]=3 481 B17R0.3110 CCOCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000749530 [0,0,0,0,0,0|4,0,0]=4 482 B17R0.3110 CCSCCC(=O)CCCCCCCCCCO 1458a_100000230768_100009813290 [0,0,0,0,0,0|3,0,0]=3 483 B17R0.3110 CCSCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000230768 [0,0,0,0,0,0|4,0,0]=4 484 B17R0.3110 COCC=CC(=O)CCCCCCCCCCO 1458a_100016285016_100009813290 [0,0,0,0,0,0|3,0,1]=4 485 B17R0.3110 COCCCC(=O)CCCCCCCCCCO 1458a_100000741012_100009813290 [0,0,0,0,0,0|3,0,0]=3 486 B17R0.3110 COCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000741012 [0,0,0,0,0,0|4,0,0]=4 487 B17R0.3110 COCCCOCCCOCC(=O)OCCOC 34a_200011215475_200000040189 [0,0,0,0,0,0|4,0,0]=4 488 B17R0.3110 COCCCOCCCOCC(=O)OCCOC 7a_200011215475_200000040189 [0,0,0,0,0,0|4,0,0]=4 489 B17R0.3110 COCCNC(=O)CCCCCCCCCCO 240690a_100000209980_200000016029 [0,0,0,0,0,0|3,0,0]=3 490 B17R0.3110 COCCNC(=O)CNCCCCCCCCO 2230a_100000754632_100000033203 [0,0,0,0,0,0|4,0,0]=4 491 B17R0.3110 COCCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183275 [0,0,0,0,0,0|4,0,0]=4 492 B17R0.3110 COCCNC(=O)CNCCCCCCCCO 34a_102515433106_100000183275 [0,0,0,0,0,0|4,0,0]=4 493 B17R0.3110 COCCNC(=O)COCCCCCCCCBr 34a_100009813846_100000183275 [0,0,0,0,0,0|4,0,0]=4 494 B17R0.3110 COCCNC(=O)COCCCCCCCCBr 7a_100009813846_100000183275 [0,0,0,0,0,0|4,0,0]=4 495 B17R0.3110 COCCNC(=O)COCCCCCCCCCl 34a_100000033203_100000183275 [0,0,0,0,0,0|4,0,0]=4 496 B17R0.3110 COCCNC(=O)COCCCCCCCCCl 7a_100000033203_100000183275 [0,0,0,0,0,0|4,0,0]=4 497 B17R0.3110 COCCNC(=O)COCCCCCCCCN 34a_102515433106_100000183275 [0,0,0,0,0,0|4,0,0]=4 498 B17R0.3110 COCCNC(=O)CSCCCCCCCCO 62a_100000033203_100000183275 [0,0,0,0,0,0|4,0,0]=4 499 B17R0.3110 COCCNC(=O)CSCCCCCCCCO 62a_100000183275_100000033203 [0,0,0,0,0,0|4,0,0]=4 500 B17R0.3110 COCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000209980 [0,0,0,0,0,0|4,0,0]=4 501 B17R0.3110 COCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000209980 [0,0,0,0,0,0|4,0,0]=4 502 B17R0.3110 COCCNC(=O)NCCCCCCCCCO 273464a_100000209980_100000078944 [0,0,0,0,0,0|4,0,0]=4 503 B17R0.3110 COCCOC(=O)CNCCCCCCCCO 2230a_102515433106_200000040189 [0,0,0,0,0,0|3,0,0]=3 504 B17R0.3110 COCCOC(=O)CNCCCCCCCCO 34a_102515433106_200000040189 [0,0,0,0,0,0|3,0,0]=3 505 B17R0.3110 COCCOC(=O)COCCCCCCCCBr 34a_100009813846_200000040189 [0,0,0,0,0,0|3,0,0]=3 506 B17R0.3110 COCCOC(=O)COCCCCCCCCBr 7a_100009813846_200000040189 [0,0,0,0,0,0|3,0,0]=3 507 B17R0.3110 COCCOC(=O)COCCCCCCCCCl 34a_100000033203_200000040189 [0,0,0,0,0,0|3,0,0]=3 508 B17R0.3110 COCCOC(=O)COCCCCCCCCCl 7a_100000033203_200000040189 [0,0,0,0,0,0|3,0,0]=3 509 B17R0.3110 COCCOC(=O)COCCCCCCCCN 34a_102515433106_200000040189 [0,0,0,0,0,0|3,0,0]=3 510 B17R0.3110 COCCOC(=O)COCCCCCNCCN 34a_103619048469_200000040189 [0,0,0,0,0,0|4,0,0]=4 511 B17R0.3110 COCCOC(=O)CSCCCCCCCCO 62a_100000033203_200000040189 [0,0,0,0,0,0|3,0,0]=3 512 B17R0.3110 COCCOC(=O)CSCCCCCCCCO 62a_200000040189_100000033203 [0,0,0,0,0,0|3,0,0]=3 513 B17R0.3110 CSCCCC(=O)CCCCCCCCCCO 1458a_100000173376_100009813290 [0,0,0,0,0,0|3,0,0]=3 514 B17R0.3110 CSCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000173376 [0,0,0,0,0,0|4,0,0]=4 515 B17R0.3110 CSCCNC(=O)CCCCCCCCCCO 240690a_100020590264_200000016029 [0,0,0,0,0,0|3,0,0]=3 516 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100020590264 [0,0,0,0,0,0|4,0,0]=4 517 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 2708a_100020590264_100000078944 [0,0,0,0,0,0|4,0,0]=4 518 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100020590264 [0,0,0,0,0,0|4,0,0]=4 519 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 273464a_100020590264_100000078944 [0,0,0,0,0,0|4,0,0]=4 520 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 512a_100000078944_100020590264 [0,0,0,0,0,0|4,0,0]=4 521 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 512a_100020590264_100000078944 [0,0,0,0,0,0|4,0,0]=4 522 B17R0.3110 N#CCCCC(=O)CCCCCCCCCCO 1458a_100000075515_100009813290 [0,0,0,0,0,0|3,0,1]=4 523 B17R0.3110 N#CCCNC(=O)CCCCCCCCCCO 240690a_100000720768_200000016029 [0,0,0,0,0,0|3,0,1]=4 524 B17R0.3110 O=C(CCCCCCCCCCO)COCCO 1458a_100000708028_100009813290 [0,0,0,0,0,0|4,0,0]=4 525 B17R0.3110 O=C(CCCCCCCCCCO)NCCCF 240690a_100015189416_200000016029 [0,0,0,0,0,0|3,0,0]=3 526 B17R0.3110 O=C(CCCCCCCCCCO)NCCCO 240690a_100000182051_200000016029 [0,0,0,0,0,0|3,0,0]=3 527 B17R0.3110 O=C(CCCCCCCCCCO)NNCCO 22a_100000210001_200000016029 [0,0,0,0,0,0|4,0,0]=4 528 B17R0.3110 O=C(CCCCO)CCCCCCCCCCO 1458a_100000695505_100009813290 [0,0,0,0,0,0|3,0,0]=3 529 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 2708a_100000078944_100015189416 [0,0,0,0,0,0|4,0,0]=4 530 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 2708a_100015189416_100000078944 [0,0,0,0,0,0|4,0,0]=4 531 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 273464a_100000078944_100015189416 [0,0,0,0,0,0|4,0,0]=4 532 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 273464a_100015189416_100000078944 [0,0,0,0,0,0|4,0,0]=4 533 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 512a_100000078944_100015189416 [0,0,0,0,0,0|4,0,0]=4 534 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 512a_100015189416_100000078944 [0,0,0,0,0,0|4,0,0]=4 535 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 2708a_100000078944_100000182051 [0,0,0,0,0,0|4,0,0]=4 536 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 273464a_100000078944_100000182051 [0,0,0,0,0,0|4,0,0]=4 537 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 273464a_100000182051_100000078944 [0,0,0,0,0,0|4,0,0]=4 538 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 512a_100000078944_100000182051 [0,0,0,0,0,0|4,0,0]=4 539 B16R0.68 C#CCCCC(=O)CCCCCCCCCC 1458a_100000210375_100000731252 [1,0,0,0,0,0|1,0,2]=4 540 B16R0.68 C#CCCCC(=O)CCCCCCCCCC 1458a_100000690238_100000210319 [1,0,0,0,0,0|1,0,2]=4 541 B16R0.68 C#CCCCCCCCCC(=O)CCCCC 1458a_100000029693_100000210326 [1,0,0,0,0,0|1,0,2]=4 542 B16R0.68 C#CCCCCCCCCC(=O)NCCCC 11a_100000102301_100000029693 [1,0,0,0,0,0|1,0,2]=4 543 B16R0.68 C#CCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000029693 [1,0,0,0,0,0|1,0,2]=4 544 B16R0.68 C#CCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000029693 [1,0,0,0,0,0|1,0,2]=4 545 B16R0.68 C#CCCCCCCCCC(=O)NCCCC 527a_100000102301_100000029693 [1,0,0,0,0,0|1,0,2]=4 546 B16R0.68 C#CCCCCCCOCC(=O)OCCCC 34a_100011217361_100000211628 [1,0,0,0,0,0|1,0,2]=4 547 B16R0.68 C#CCCCCCCOCC(=O)OCCCC 7a_100011217361_100000211628 [1,0,0,0,0,0|1,0,2]=4 548 B16R0.68 C#CCCCCCCSCC(=O)OCCCC 62a_100000211628_100012276617 [1,0,0,0,0,0|1,0,2]=4 549 B16R0.68 C#CCCCCCCSCC(=O)OCCCC 62a_100012276617_100000211628 [1,0,0,0,0,0|1,0,2]=4 550 B16R0.68 C#CCCNC(=O)CCCCCCCCCC 11a_100000755551_100000210375 [1,0,0,0,0,0|1,0,2]=4 551 B16R0.68 C#CCCNC(=O)CCCCCCCCCC 1626a_100000755551_100000210375 [1,0,0,0,0,0|1,0,2]=4 552 B16R0.68 C#CCCNC(=O)CCCCCCCCCC 240690a_100000755551_100000210375 [1,0,0,0,0,0|1,0,2]=4 553 B16R0.68 C=CCCCC(=O)CCCCCCCCCC 1458a_100000210375_100000757094 [1,0,0,0,0,0|1,0,2]=4 554 B16R0.68 C=CCCCC(=O)CCCCCCCCCC 1458a_100000766728_100000210319 [1,0,0,0,0,0|1,0,2]=4 555 B16R0.68 C=CCCCCCCCCC(=O)CCCCC 1458a_100000211349_100000210326 [1,0,0,0,0,0|1,0,2]=4 556 B16R0.68 C=CCCCCCCCCC(=O)CCCCC 1458a_100000212188_100011933949 [1,0,0,0,0,0|1,0,2]=4 557 B16R0.68 C=CCCCCCCCCC(=O)NCCCC 11a_100000102301_100000211349 [1,0,0,0,0,0|1,0,2]=4 558 B16R0.68 C=CCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000211349 [1,0,0,0,0,0|1,0,2]=4 559 B16R0.68 C=CCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000211349 [1,0,0,0,0,0|1,0,2]=4 560 B16R0.68 C=CCCCCCCCCC(=O)NCCCC 527a_100000102301_100000211349 [1,0,0,0,0,0|1,0,2]=4 561 B16R0.68 C=CCCCCCCOCC(=O)OCCCC 34a_200011216477_100000211628 [1,0,0,0,0,0|1,0,2]=4 562 B16R0.68 C=CCCCCCCOCC(=O)OCCCC 7a_200011216477_100000211628 [1,0,0,0,0,0|1,0,2]=4 563 B16R0.68 C=CCCCCCCSCC(=O)OCCCC 62a_100000211628_100011215473 [1,0,0,0,0,0|1,0,2]=4 564 B16R0.68 C=CCCCCCCSCC(=O)OCCCC 62a_100011215473_100000211628 [1,0,0,0,0,0|1,0,2]=4 565 B16R0.68 C=CCCNC(=O)CCCCCCCCCC 11a_100015191253_100000210375 [1,0,0,0,0,0|1,0,2]=4 566 B16R0.68 C=CCCNC(=O)CCCCCCCCCC 1626a_100015191253_100000210375 [1,0,0,0,0,0|1,0,2]=4 567 B16R0.68 C=CCCNC(=O)CCCCCCCCCC 240690a_100015191253_100000210375 [1,0,0,0,0,0|1,0,2]=4 568 B16R0.68 CC#CCCCCCCCC(=O)CCCCC 1458a_100000066323_100000210326 [1,0,0,0,0,0|1,0,2]=4 569 B16R0.68 CC#CCCCCCCCC(=O)NCCCC 11a_100000102301_100000066323 [1,0,0,0,0,0|1,0,2]=4 570 B16R0.68 CC#CCCCCCCCC(=O)NCCCC 1626a_100000102301_100000066323 [1,0,0,0,0,0|1,0,2]=4 571 B16R0.68 CC#CCCCCCCCC(=O)NCCCC 240690a_100000102301_100000066323 [1,0,0,0,0,0|1,0,2]=4 572 B16R0.68 CC#CCCCCCCCC(=O)NCCCC 527a_100000102301_100000066323 [1,0,0,0,0,0|1,0,2]=4 573 B16R0.68 CC#CCNC(=O)CCCCCCCCCC 11a_100000685387_100000210375 [1,0,0,0,0,0|1,0,2]=4 574 B16R0.68 CC#CCNC(=O)CCCCCCCCCC 1626a_100000685387_100000210375 [1,0,0,0,0,0|1,0,2]=4 575 B16R0.68 CC/C=C/CC(=O)CCCCCCCCCC 1458a_100016274230_100000210319 [1,0,0,0,0,0|1,0,2]=4 576 B16R0.68 CC/C=C\CC(=O)CCCCCCCCCC 1458a_100000210375_100103147603 [1,0,0,0,0,0|1,0,2]=4 577 B16R0.68 CC/C=C\CCCCOCC(=O)OCCCC 34a_100016287862_100000211628 [1,0,0,0,0,0|1,0,2]=4 578 B16R0.68 CC/C=C\CCCCOCC(=O)OCCCC 7a_100016287862_100000211628 [1,0,0,0,0,0|1,0,2]=4 579 B16R0.68 CCC#CCC(=O)CCCCCCCCCC 1458a_100000210375_100009813939 [1,0,0,0,0,0|1,0,2]=4 580 B16R0.68 CCC#CCCCCCCC(=O)CCCCC 1458a_100000212188_200000036426 [1,0,0,0,0,0|1,0,2]=4 581 B16R0.68 CCCC#CC(=O)CCCCCCCCCC 1458a_200011218047_100000210319 [1,0,0,0,0,0|1,0,1]=3 582 B16R0.68 CCCC#CC(=O)CCCCCCCCCO 1458a_200011218047_100009813782 [1,0,0,0,0,0|2,0,1]=4 583 B16R0.68 CCCC#CC(=O)NCCCCCCCCC 240690a_100000212291_200011218047 [1,0,0,0,0,0|2,0,1]=4 584 B16R0.68 CCCC/C=C\CCOCC(=O)OCCCC 34a_200016286491_100000211628 [1,0,0,0,0,0|1,0,2]=4 585 B16R0.68 CCCC/C=C\CCOCC(=O)OCCCC 7a_200016286491_100000211628 [1,0,0,0,0,0|1,0,2]=4 586 B16R0.68 CCCC=CC(=O)CCCCCCCCCC 1458a_100000212230_100000210319 [1,0,0,0,0,0|1,0,1]=3 587 B16R0.68 CCCC=CC(=O)CCCCCCCCCO 1458a_100000212230_100009813782 [1,0,0,0,0,0|2,0,1]=4 588 B16R0.68 CCCC=CC(=O)NCCCCCCCCC 11a_100000212291_100000212230 [1,0,0,0,0,0|2,0,1]=4 589 B16R0.68 CCCC=CC(=O)NCCCCCCCCC 1626a_100000212291_100000212230 [1,0,0,0,0,0|2,0,1]=4 590 B16R0.68 CCCC=CC(=O)NCCCCCCCCC 240690a_100000212291_100000212230 [1,0,0,0,0,0|2,0,1]=4 591 B16R0.68 CCCCC#CCCOCC(=O)OCCCC 34a_100000037610_100000211628 [1,0,0,0,0,0|1,0,2]=4 592 B16R0.68 CCCCC#CCCOCC(=O)OCCCC 7a_100000037610_100000211628 [1,0,0,0,0,0|1,0,2]=4 593 B16R0.68 CCCCC/C=C/COCC(=O)OCCCC 34a_100016258190_100000211628 [1,0,0,0,0,0|1,0,2]=4 594 B16R0.68 CCCCC/C=C/COCC(=O)OCCCC 7a_100016258190_100000211628 [1,0,0,0,0,0|1,0,2]=4 595 B16R0.68 CCCCCC#CCOCC(=O)OCCCC 34a_200000033628_100000211628 [1,0,0,0,0,0|1,0,2]=4 596 B16R0.68 CCCCCC#CCOCC(=O)OCCCC 7a_200000033628_100000211628 [1,0,0,0,0,0|1,0,2]=4 597 B16R0.68 CCCCCC#CCSCC(=O)OCCCC 62a_100000211628_100009816472 [1,0,0,0,0,0|1,0,2]=4 598 B16R0.68 CCCCCC#CCSCC(=O)OCCCC 62a_100009816472_100000211628 [1,0,0,0,0,0|1,0,2]=4 599 B16R0.68 CCCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210326 [1,0,0,0,0,0|2,0,0]=3 600 B16R0.68 CCCCCC(=O)CCCCCCCCCO 1458a_100000212188_100009813782 [1,0,0,0,0,0|2,0,0]=3 601 B16R0.68 CCCCCC(=O)CNCCCCCCCO 2230a_100011996573_200012276598 [1,0,0,0,0,0|3,0,0]=4 602 B16R0.68 CCCCCC(=O)CNCCCCCCCO 34a_100011996573_200012276598 [1,0,0,0,0,0|3,0,0]=4 603 B16R0.68 CCCCCC(=O)CNCCCOCCCC 2230a_200000211371_200012276598 [1,0,0,0,0,0|3,0,0]=4 604 B16R0.68 CCCCCC(=O)CNCCCOCCCC 34a_200000211371_200012276598 [1,0,0,0,0,0|3,0,0]=4 605 B16R0.68 CCCCCC(=O)COCCCCCCCBr 34a_100000760002_200012276598 [1,0,0,0,0,0|3,0,0]=4 606 B16R0.68 CCCCCC(=O)COCCCCCCCBr 7a_100000760002_200012276598 [1,0,0,0,0,0|3,0,0]=4 607 B16R0.68 CCCCCC(=O)COCCCCCCCN 34a_100011996573_200012276598 [1,0,0,0,0,0|3,0,0]=4 608 B16R0.68 CCCCCC(=O)COCCCCCCOC 34a_200012092642_200012276598 [1,0,0,0,0,0|3,0,0]=4 609 B16R0.68 CCCCCC(=O)COCCCCCCOC 7a_200012092642_200012276598 [1,0,0,0,0,0|3,0,0]=4 610 B16R0.68 CCCCCC(=O)COCCCOCCCC 34a_200011215613_200012276598 [1,0,0,0,0,0|3,0,0]=4 611 B16R0.68 CCCCCC(=O)COCCCOCCCC 7a_200011215613_200012276598 [1,0,0,0,0,0|3,0,0]=4 612 B16R0.68 CCCCCC(=O)CSCCCCCCCO 62a_100000760002_200012276598 [1,0,0,0,0,0|3,0,0]=4 613 B16R0.68 CCCCCC(=O)CSCCCCCCCO 62a_200012276598_100000760002 [1,0,0,0,0,0|3,0,0]=4 614 B16R0.68 CCCCCC(=O)CSCCCCCCOC 62a_100011998445_200012276598 [1,0,0,0,0,0|3,0,0]=4 615 B16R0.68 CCCCCC(=O)CSCCCCCCOC 62a_200012276598_100011998445 [1,0,0,0,0,0|3,0,0]=4 616 B16R0.68 CCCCCC(=O)NCCCCCCCCO 240690a_102515433106_100000212188 [1,0,0,0,0,0|3,0,0]=4 617 B16R0.68 CCCCCCCCC=CC(=O)CCCCC 1458a_100015345288_100000210326 [1,0,0,0,0,0|1,0,2]=4 618 B16R0.68 CCCCCCCCC=CC(=O)NCCCC 11a_100000102301_100015345288 [1,0,0,0,0,0|1,0,2]=4 619 B16R0.68 CCCCCCCCC=CC(=O)NCCCC 1626a_100000102301_100015345288 [1,0,0,0,0,0|1,0,2]=4 620 B16R0.68 CCCCCCCCC=CC(=O)NCCCC 240690a_100000102301_100015345288 [1,0,0,0,0,0|1,0,2]=4 621 B16R0.68 CCCCCCCCCCC(=NNCCC)C 4a_100000740057_200011219864 [1,0,0,0,0,0|3,0,0]=4 622 B16R0.68 CCCCCCCCCCC(=O)C=CCOC 1458a_100016285016_100000210319 [1,0,0,0,0,0|2,0,1]=4 623 B16R0.68 CCCCCCCCCCC(=O)C=COCC 1458a_100016266692_100000210319 [1,0,0,0,0,0|2,0,1]=4 624 B16R0.68 CCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210319 [1,0,0,0,0,0|2,0,1]=4 625 B16R0.68 CCCCCCCCCCC(=O)CCCC#N 1458a_100000210375_100000211468 [1,0,0,0,0,0|2,0,1]=4 626 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000210375_100000210326 [1,0,0,0,0,0|1,0,0]=2 627 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210319 [1,0,0,0,0,0|1,0,0]=2 628 B16R0.68 CCCCCCCCCCC(=O)CCCCF 1458a_100000210375_100000729493 [1,0,0,0,0,0|2,0,0]=3 629 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000210375_100000210776 [1,0,0,0,0,0|2,0,0]=3 630 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210319 [1,0,0,0,0,0|2,0,0]=3 631 B16R0.68 CCCCCCCCCCC(=O)CCCOC 1458a_100000210375_100000740836 [1,0,0,0,0,0|2,0,0]=3 632 B16R0.68 CCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210319 [1,0,0,0,0,0|2,0,0]=3 633 B16R0.68 CCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210319 [1,0,0,0,0,0|2,0,0]=3 634 B16R0.68 CCCCCCCCCCC(=O)CCOCC 1458a_100000210375_100011215890 [1,0,0,0,0,0|2,0,0]=3 635 B16R0.68 CCCCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210319 [1,0,0,0,0,0|2,0,0]=3 636 B16R0.68 CCCCCCCCCCC(=O)CCSCC 1458a_100000210375_100000757381 [1,0,0,0,0,0|2,0,0]=3 637 B16R0.68 CCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100000210319 [1,0,0,0,0,0|2,0,0]=3 638 B16R0.68 CCCCCCCCCCC(=O)COCCC 1458a_100000745993_100000210319 [1,0,0,0,0,0|2,0,0]=3 639 B16R0.68 CCCCCCCCCCC(=O)COCCO 1458a_100000708028_100000210319 [1,0,0,0,0,0|3,0,0]=4 640 B16R0.68 CCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100000210319 [1,0,0,0,0,0|2,0,0]=3 641 B16R0.68 CCCCCCCCCCC(=O)NCCC#N 11a_100000720768_100000210375 [1,0,0,0,0,0|2,0,1]=4 642 B16R0.68 CCCCCCCCCCC(=O)NCCC#N 1626a_100000720768_100000210375 [1,0,0,0,0,0|2,0,1]=4 643 B16R0.68 CCCCCCCCCCC(=O)NCCC#N 240690a_100000720768_100000210375 [1,0,0,0,0,0|2,0,1]=4 644 B16R0.68 CCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210375 [1,0,0,0,0,0|1,0,0]=2 645 B16R0.68 CCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210375 [1,0,0,0,0,0|1,0,0]=2 646 B16R0.68 CCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210375 [1,0,0,0,0,0|1,0,0]=2 647 B16R0.68 CCCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210375 [1,0,0,0,0,0|2,0,0]=3 648 B16R0.68 CCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210375 [1,0,0,0,0,0|2,0,0]=3 649 B16R0.68 CCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210375 [1,0,0,0,0,0|2,0,0]=3 650 B16R0.68 CCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210375 [1,0,0,0,0,0|2,0,0]=3 651 B16R0.68 CCCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210375 [1,0,0,0,0,0|2,0,0]=3 652 B16R0.68 CCCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210375 [1,0,0,0,0,0|2,0,0]=3 653 B16R0.68 CCCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210375 [1,0,0,0,0,0|2,0,0]=3 654 B16R0.68 CCCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210375 [1,0,0,0,0,0|2,0,0]=3 655 B16R0.68 CCCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210375 [1,0,0,0,0,0|2,0,0]=3 656 B16R0.68 CCCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210375 [1,0,0,0,0,0|2,0,0]=3 657 B16R0.68 CCCCCCCCCCC(=O)NNCCO 22a_100000210001_100000210375 [1,0,0,0,0,0|3,0,0]=4 658 B16R0.68 CCCCCCCCCCC(C)NCCCC 270004a_100000102301_200011219864 [1,0,0,0,0,0|2,0,1]=4 659 B16R0.68 CCCCCCCCCCC(C)OCCCC 34a_100011215000_100000210210 [1,0,0,0,0,0|1,0,1]=3 660 B16R0.68 CCCCCCCCCCC(C)OCCCC 7a_100011215000_100000210211 [1,0,0,0,0,0|1,0,1]=3 661 B16R0.68 CCCCCCCCCCC(C)OCCCF 34a_100011215000_100011934791 [1,0,0,0,0,0|2,0,1]=4 662 B16R0.68 CCCCCCCCCCC(C)OCCCF 7a_100011215000_100011934791 [1,0,0,0,0,0|2,0,1]=4 663 B16R0.68 CCCCCCCCCCC(C)OCCCO 34a_100011215000_100000230001 [1,0,0,0,0,0|2,0,1]=4 664 B16R0.68 CCCCCCCCCCC(C)OCCCO 7a_100011215000_100011215043 [1,0,0,0,0,0|2,0,1]=4 665 B16R0.68 CCCCCCCCCCC(C)OCCOC 34a_100011215000_100011201679 [1,0,0,0,0,0|2,0,1]=4 666 B16R0.68 CCCCCCCCCCC(C)OCCOC 7a_100011215000_100000233755 [1,0,0,0,0,0|2,0,1]=4 667 B16R0.68 CCCCCCCCCCC(C)OCCSC 34a_100011215000_100000212216 [1,0,0,0,0,0|2,0,1]=4 668 B16R0.68 CCCCCCCCCCC(C)OCCSC 7a_100011215000_100000212216 [1,0,0,0,0,0|2,0,1]=4 669 B16R0.68 CCCCCCCCCCN(C)CCCCC 2230a_100000207566_100000210326 [1,0,0,0,0,0|3,0,0]=4 670 B16R0.68 CCCCCCCCCCN(C)CCCCC 2230a_100000223495_100000210320 [1,0,0,0,0,0|3,0,0]=4 671 B16R0.68 CCCCCCCCCCN(C)CCCCC 269982a_100000207566_100000210215 [1,0,0,0,0,0|3,0,0]=4 672 B16R0.68 CCCCCCCCCCN(C)CCCCC 269982a_100000223495_100000210320 [1,0,0,0,0,0|3,0,0]=4 673 B16R0.68 CCCCCCCCCNC(=O)CCCCC 11a_100000212291_100000212188 [1,0,0,0,0,0|2,0,0]=3 674 B16R0.68 CCCCCCCCCNC(=O)CCCCC 1626a_100000212291_100000212188 [1,0,0,0,0,0|2,0,0]=3 675 B16R0.68 CCCCCCCCCNC(=O)CCCCC 240690a_100000212291_100000212188 [1,0,0,0,0,0|2,0,0]=3 676 B16R0.68 CCCCCCCCCNC(=O)CCCCC 527a_100000212291_100000212188 [1,0,0,0,0,0|2,0,0]=3 677 B16R0.68 CCCCCCCCCNC(=O)CCCCO 1626a_100000212291_100000695505 [1,0,0,0,0,0|3,0,0]=4 678 B16R0.68 CCCCCCCCCNC(=O)CCCOC 11a_100000212291_100000741012 [1,0,0,0,0,0|3,0,0]=4 679 B16R0.68 CCCCCCCCCNC(=O)CCCOC 1626a_100000212291_100000741012 [1,0,0,0,0,0|3,0,0]=4 680 B16R0.68 CCCCCCCCCNC(=O)CCCOC 240690a_100000212291_100000741012 [1,0,0,0,0,0|3,0,0]=4 681 B16R0.68 CCCCCCCCCNC(=O)CCCOC 527a_100000212291_100000741012 [1,0,0,0,0,0|3,0,0]=4 682 B16R0.68 CCCCCCCCCNC(=O)CCCSC 11a_100000212291_100000173376 [1,0,0,0,0,0|3,0,0]=4 683 B16R0.68 CCCCCCCCCNC(=O)CCCSC 1626a_100000212291_100000173376 [1,0,0,0,0,0|3,0,0]=4 684 B16R0.68 CCCCCCCCCNC(=O)CCCSC 240690a_100000212291_100000173376 [1,0,0,0,0,0|3,0,0]=4 685 B16R0.68 CCCCCCCCCNC(=O)CCCSC 527a_100000212291_100000173376 [1,0,0,0,0,0|3,0,0]=4 686 B16R0.68 CCCCCCCCCNC(=O)CCOCC 11a_100000212291_100000749530 [1,0,0,0,0,0|3,0,0]=4 687 B16R0.68 CCCCCCCCCNC(=O)CCOCC 1626a_100000212291_100000749530 [1,0,0,0,0,0|3,0,0]=4 688 B16R0.68 CCCCCCCCCNC(=O)CCOCC 240690a_100000212291_100000749530 [1,0,0,0,0,0|3,0,0]=4 689 B16R0.68 CCCCCCCCCNC(=O)CCOCC 527a_100000212291_100000749530 [1,0,0,0,0,0|3,0,0]=4 690 B16R0.68 CCCCCCCCCNC(=O)CCSCC 11a_100000212291_100000230768 [1,0,0,0,0,0|3,0,0]=4 691 B16R0.68 CCCCCCCCCNC(=O)CCSCC 1626a_100000212291_100000230768 [1,0,0,0,0,0|3,0,0]=4 692 B16R0.68 CCCCCCCCCNC(=O)CCSCC 240690a_100000212291_100000230768 [1,0,0,0,0,0|3,0,0]=4 693 B16R0.68 CCCCCCCCCNC(=O)CCSCC 527a_100000212291_100000230768 [1,0,0,0,0,0|3,0,0]=4 694 B16R0.68 CCCCCCCCCNC(=O)COCCC 11a_100000212291_100000745993 [1,0,0,0,0,0|3,0,0]=4 695 B16R0.68 CCCCCCCCCNC(=O)COCCC 1626a_100000212291_100000745993 [1,0,0,0,0,0|3,0,0]=4 696 B16R0.68 CCCCCCCCCNC(=O)COCCC 240690a_100000212291_100000745993 [1,0,0,0,0,0|3,0,0]=4 697 B16R0.68 CCCCCCCCCNC(=O)COCCC 527a_100000212291_100000745993 [1,0,0,0,0,0|3,0,0]=4 698 B16R0.68 CCCCCCCCCNC(=O)CSCCC 11a_100000212291_100000217233 [1,0,0,0,0,0|3,0,0]=4 699 B16R0.68 CCCCCCCCCNC(=O)CSCCC 1626a_100000212291_100000217233 [1,0,0,0,0,0|3,0,0]=4 700 B16R0.68 CCCCCCCCCNC(=O)CSCCC 240690a_100000212291_100000217233 [1,0,0,0,0,0|3,0,0]=4 701 B16R0.68 CCCCCCCCCNC(=O)CSCCC 527a_100000212291_100000217233 [1,0,0,0,0,0|3,0,0]=4 702 B16R0.68 CCCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000212291 [1,0,0,0,0,0|2,0,0]=3 703 B16R0.68 CCCCCCCCCNC(=O)NCCCC 2708a_100000212291_100000102301 [1,0,0,0,0,0|2,0,0]=3 704 B16R0.68 CCCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000212291 [1,0,0,0,0,0|2,0,0]=3 705 B16R0.68 CCCCCCCCCNC(=O)NCCCC 273464a_100000212291_100000102301 [1,0,0,0,0,0|2,0,0]=3 706 B16R0.68 CCCCCCCCCNC(=O)NCCCC 512a_100000102301_100000212291 [1,0,0,0,0,0|2,0,0]=3 707 B16R0.68 CCCCCCCCCNC(=O)NCCCC 512a_100000212291_100000102301 [1,0,0,0,0,0|2,0,0]=3 708 B16R0.68 CCCCCCCCCNC(=O)NCCCF 2708a_100000212291_100015189416 [1,0,0,0,0,0|3,0,0]=4 709 B16R0.68 CCCCCCCCCNC(=O)NCCCF 2708a_100015189416_100000212291 [1,0,0,0,0,0|3,0,0]=4 710 B16R0.68 CCCCCCCCCNC(=O)NCCCF 273464a_100000212291_100015189416 [1,0,0,0,0,0|3,0,0]=4 711 B16R0.68 CCCCCCCCCNC(=O)NCCCF 273464a_100015189416_100000212291 [1,0,0,0,0,0|3,0,0]=4 712 B16R0.68 CCCCCCCCCNC(=O)NCCCF 512a_100000212291_100015189416 [1,0,0,0,0,0|3,0,0]=4 713 B16R0.68 CCCCCCCCCNC(=O)NCCCF 512a_100015189416_100000212291 [1,0,0,0,0,0|3,0,0]=4 714 B16R0.68 CCCCCCCCCNC(=O)NCCCO 2708a_100000212291_100000182051 [1,0,0,0,0,0|3,0,0]=4 715 B16R0.68 CCCCCCCCCNC(=O)NCCCO 273464a_100000182051_100000212291 [1,0,0,0,0,0|3,0,0]=4 716 B16R0.68 CCCCCCCCCNC(=O)NCCCO 273464a_100000212291_100000182051 [1,0,0,0,0,0|3,0,0]=4 717 B16R0.68 CCCCCCCCCNC(=O)NCCCO 512a_100000212291_100000182051 [1,0,0,0,0,0|3,0,0]=4 718 B16R0.68 CCCCCCCCCNC(=O)NCCOC 2708a_100000212291_100000209980 [1,0,0,0,0,0|3,0,0]=4 719 B16R0.68 CCCCCCCCCNC(=O)NCCOC 273464a_100000209980_100000212291 [1,0,0,0,0,0|3,0,0]=4 720 B16R0.68 CCCCCCCCCNC(=O)NCCOC 273464a_100000212291_100000209980 [1,0,0,0,0,0|3,0,0]=4 721 B16R0.68 CCCCCCCCCNC(=O)NCCSC 2708a_100000212291_100020590264 [1,0,0,0,0,0|3,0,0]=4 722 B16R0.68 CCCCCCCCCNC(=O)NCCSC 2708a_100020590264_100000212291 [1,0,0,0,0,0|3,0,0]=4 723 B16R0.68 CCCCCCCCCNC(=O)NCCSC 273464a_100000212291_100020590264 [1,0,0,0,0,0|3,0,0]=4 724 B16R0.68 CCCCCCCCCNC(=O)NCCSC 273464a_100020590264_100000212291 [1,0,0,0,0,0|3,0,0]=4 725 B16R0.68 CCCCCCCCCNC(=O)NCCSC 512a_100000212291_100020590264 [1,0,0,0,0,0|3,0,0]=4 726 B16R0.68 CCCCCCCCCNC(=O)NCCSC 512a_100020590264_100000212291 [1,0,0,0,0,0|3,0,0]=4 727 B16R0.68 CCCCCCCCCNC(=O)NNCCC 273464a_100000212291_100000740057 [1,0,0,0,0,0|3,0,0]=4 728 B16R0.68 CCCCCCCCCNC(=O)NNCCC 512a_100000212291_100000740057 [1,0,0,0,0,0|3,0,0]=4 729 B16R0.68 CCCCCCCCCNC(=O)NNCCC 512a_100000740057_100000212291 [1,0,0,0,0,0|3,0,0]=4 730 B16R0.68 CCCCCCCCNCC(=O)CCCCC 2230a_100000229939_200012276598 [1,0,0,0,0,0|2,0,0]=3 731 B16R0.68 CCCCCCCCNCC(=O)CCCCC 34a_100000229939_200012276598 [1,0,0,0,0,0|2,0,0]=3 732 B16R0.68 CCCCCCCCNCC(=O)NCCCC 2230a_100000229939_100000182744 [1,0,0,0,0,0|2,0,0]=3 733 B16R0.68 CCCCCCCCNCC(=O)NCCCC 34a_100000229939_100000182744 [1,0,0,0,0,0|2,0,0]=3 734 B16R0.68 CCCCCCCCNCC(=O)NCCOC 2230a_100000229939_100000183275 [1,0,0,0,0,0|3,0,0]=4 735 B16R0.68 CCCCCCCCNCC(=O)NCCOC 2230a_100000754632_100000210759 [1,0,0,0,0,0|3,0,0]=4 736 B16R0.68 CCCCCCCCNCC(=O)NCCOC 34a_100000229939_100000183275 [1,0,0,0,0,0|3,0,0]=4 737 B16R0.68 CCCCCCCCNCC(=O)OCCCC 2230a_100000229939_100000211628 [1,0,0,0,0,0|1,0,0]=2 738 B16R0.68 CCCCCCCCNCC(=O)OCCCC 34a_100000229939_100000211628 [1,0,0,0,0,0|1,0,0]=2 739 B16R0.68 CCCCCCCCNCC(=O)OCCOC 2230a_100000229939_200000040189 [1,0,0,0,0,0|2,0,0]=3 740 B16R0.68 CCCCCCCCNCC(=O)OCCOC 34a_100000229939_200000040189 [1,0,0,0,0,0|2,0,0]=3 741 B16R0.68 CCCCCCCCOCC(=O)CCCCC 1458a_100000759886_100000210326 [1,0,0,0,0,0|2,0,0]=3 742 B16R0.68 CCCCCCCCOCC(=O)CCCCC 34a_100000210232_200012276598 [1,0,0,0,0,0|2,0,0]=3 743 B16R0.68 CCCCCCCCOCC(=O)CCCCC 7a_100000210232_200012276598 [1,0,0,0,0,0|2,0,0]=3 744 B16R0.68 CCCCCCCCOCC(=O)CCCCF 1458a_100000759886_100000729493 [1,0,0,0,0,0|3,0,0]=4 745 B16R0.68 CCCCCCCCOCC(=O)CCCCO 1458a_100000759886_100000210776 [1,0,0,0,0,0|3,0,0]=4 746 B16R0.68 CCCCCCCCOCC(=O)CCCOC 1458a_100000759886_100000740836 [1,0,0,0,0,0|3,0,0]=4 747 B16R0.68 CCCCCCCCOCC(=O)CCOCC 1458a_100000759886_100011215890 [1,0,0,0,0,0|3,0,0]=4 748 B16R0.68 CCCCCCCCOCC(=O)CCSCC 1458a_100000759886_100000757381 [1,0,0,0,0,0|3,0,0]=4 749 B16R0.68 CCCCCCCCOCC(=O)NCCCC 11a_100000102301_100000759886 [1,0,0,0,0,0|2,0,0]=3 750 B16R0.68 CCCCCCCCOCC(=O)NCCCC 1626a_100000102301_100000759886 [1,0,0,0,0,0|2,0,0]=3 751 B16R0.68 CCCCCCCCOCC(=O)NCCCC 240690a_100000102301_100000759886 [1,0,0,0,0,0|2,0,0]=3 752 B16R0.68 CCCCCCCCOCC(=O)NCCCC 34a_100000210232_100000182744 [1,0,0,0,0,0|2,0,0]=3 753 B16R0.68 CCCCCCCCOCC(=O)NCCCC 527a_100000102301_100000759886 [1,0,0,0,0,0|2,0,0]=3 754 B16R0.68 CCCCCCCCOCC(=O)NCCCC 7a_100000210232_100000182744 [1,0,0,0,0,0|2,0,0]=3 755 B16R0.68 CCCCCCCCOCC(=O)NCCCF 11a_100015189416_100000759886 [1,0,0,0,0,0|3,0,0]=4 756 B16R0.68 CCCCCCCCOCC(=O)NCCCF 1626a_100015189416_100000759886 [1,0,0,0,0,0|3,0,0]=4 757 B16R0.68 CCCCCCCCOCC(=O)NCCCF 240690a_100015189416_100000759886 [1,0,0,0,0,0|3,0,0]=4 758 B16R0.68 CCCCCCCCOCC(=O)NCCCF 527a_100015189416_100000759886 [1,0,0,0,0,0|3,0,0]=4 759 B16R0.68 CCCCCCCCOCC(=O)NCCCO 240690a_100000182051_100000759886 [1,0,0,0,0,0|3,0,0]=4 760 B16R0.68 CCCCCCCCOCC(=O)NCCCO 527a_100000182051_100000759886 [1,0,0,0,0,0|3,0,0]=4 761 B16R0.68 CCCCCCCCOCC(=O)NCCOC 1626a_100000209980_100000759886 [1,0,0,0,0,0|3,0,0]=4 762 B16R0.68 CCCCCCCCOCC(=O)NCCOC 240690a_100000209980_100000759886 [1,0,0,0,0,0|3,0,0]=4 763 B16R0.68 CCCCCCCCOCC(=O)NCCOC 34a_100000210232_100000183275 [1,0,0,0,0,0|3,0,0]=4 764 B16R0.68 CCCCCCCCOCC(=O)NCCOC 527a_100000209980_100000759886 [1,0,0,0,0,0|3,0,0]=4 765 B16R0.68 CCCCCCCCOCC(=O)NCCOC 7a_100000210232_100000183275 [1,0,0,0,0,0|3,0,0]=4 766 B16R0.68 CCCCCCCCOCC(=O)NCCSC 11a_100020590264_100000759886 [1,0,0,0,0,0|3,0,0]=4 767 B16R0.68 CCCCCCCCOCC(=O)NCCSC 1626a_100020590264_100000759886 [1,0,0,0,0,0|3,0,0]=4 768 B16R0.68 CCCCCCCCOCC(=O)NCCSC 240690a_100020590264_100000759886 [1,0,0,0,0,0|3,0,0]=4 769 B16R0.68 CCCCCCCCOCC(=O)NCCSC 527a_100020590264_100000759886 [1,0,0,0,0,0|3,0,0]=4 770 B16R0.68 CCCCCCCCOCC(=O)NNCCC 22a_100000740057_100000759886 [1,0,0,0,0,0|3,0,0]=4 771 B16R0.68 CCCCCCCCOCC(=O)OCCCC 34a_100000210232_100000211628 [1,0,0,0,0,0|1,0,0]=2 772 B16R0.68 CCCCCCCCOCC(=O)OCCCC 7a_100000210232_100000211628 [1,0,0,0,0,0|1,0,0]=2 773 B16R0.68 CCCCCCCCOCC(=O)OCCOC 34a_100000210232_200000040189 [1,0,0,0,0,0|2,0,0]=3 774 B16R0.68 CCCCCCCCOCC(=O)OCCOC 7a_100000210232_200000040189 [1,0,0,0,0,0|2,0,0]=3 775 B16R0.68 CCCCCCCCSCC(=O)CCCCC 62a_100000210759_200012276598 [1,0,0,0,0,0|2,0,0]=3 776 B16R0.68 CCCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210317 [1,0,0,0,0,0|2,0,0]=3 777 B16R0.68 CCCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210317 [1,0,0,0,0,0|2,0,0]=3 778 B16R0.68 CCCCCCCCSCC(=O)NCCCC 62a_100000210759_100000182744 [1,0,0,0,0,0|2,0,0]=3 779 B16R0.68 CCCCCCCCSCC(=O)NCCOC 62a_100000183275_100000210317 [1,0,0,0,0,0|3,0,0]=4 780 B16R0.68 CCCCCCCCSCC(=O)NCCOC 62a_100000210759_100000183275 [1,0,0,0,0,0|3,0,0]=4 781 B16R0.68 CCCCCCCCSCC(=O)OCCCC 62a_100000210759_100000211628 [1,0,0,0,0,0|1,0,0]=2 782 B16R0.68 CCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210317 [1,0,0,0,0,0|1,0,0]=2 783 B16R0.68 CCCCCCCCSCC(=O)OCCOC 62a_100000210759_200000040189 [1,0,0,0,0,0|2,0,0]=3 784 B16R0.68 CCCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210317 [1,0,0,0,0,0|2,0,0]=3 785 B16R0.68 CCCCCNCCOCC(=O)CCCCC 34a_100000224656_200012276598 [1,0,0,0,0,0|3,0,0]=4 786 B16R0.68 CCCCCNCCOCC(=O)NCCCC 34a_100000224656_100000182744 [1,0,0,0,0,0|3,0,0]=4 787 B16R0.68 CCCCCNCCOCC(=O)OCCCC 34a_100000224656_100000211628 [1,0,0,0,0,0|2,0,0]=3 788 B16R0.68 CCCCCNCCOCC(=O)OCCOC 34a_100000224656_200000040189 [1,0,0,0,0,0|3,0,0]=4 789 B16R0.68 CCCCCOCCOCC(=O)CCCCC 34a_100011215259_200012276598 [1,0,0,0,0,0|3,0,0]=4 790 B16R0.68 CCCCCOCCOCC(=O)CCCCC 7a_100011215259_200012276598 [1,0,0,0,0,0|3,0,0]=4 791 B16R0.68 CCCCCOCCOCC(=O)NCCCC 34a_100011215259_100000182744 [1,0,0,0,0,0|3,0,0]=4 792 B16R0.68 CCCCCOCCOCC(=O)NCCCC 7a_100011215259_100000182744 [1,0,0,0,0,0|3,0,0]=4 793 B16R0.68 CCCCCOCCOCC(=O)OCCCC 34a_100011215259_100000211628 [1,0,0,0,0,0|2,0,0]=3 794 B16R0.68 CCCCCOCCOCC(=O)OCCCC 7a_100011215259_100000211628 [1,0,0,0,0,0|2,0,0]=3 795 B16R0.68 CCCCCOCCOCC(=O)OCCOC 34a_100011215259_200000040189 [1,0,0,0,0,0|3,0,0]=4 796 B16R0.68 CCCCCOCCOCC(=O)OCCOC 7a_100011215259_200000040189 [1,0,0,0,0,0|3,0,0]=4 797 B16R0.68 CCCCNC(=O)CCCCCCCCCF 11a_100000102301_200009909015 [1,0,0,0,0,0|2,0,0]=3 798 B16R0.68 CCCCNC(=O)CCCCCCCCCF 240690a_100000102301_200009909015 [1,0,0,0,0,0|2,0,0]=3 799 B16R0.68 CCCCNC(=O)CCCCCCCCCF 527a_100000102301_200009909015 [1,0,0,0,0,0|2,0,0]=3 800 B16R0.68 CCCCNC(=O)CCCCCCCCCO 240690a_100000102301_100000032657 [1,0,0,0,0,0|2,0,0]=3 801 B16R0.68 CCCCNC(=O)CNCCCCCCCO 2230a_100011996573_100000182744 [1,0,0,0,0,0|3,0,0]=4 802 B16R0.68 CCCCNC(=O)CNCCCCCCCO 34a_100011996573_100000182744 [1,0,0,0,0,0|3,0,0]=4 803 B16R0.68 CCCCNC(=O)CNCCCOCCCC 2230a_200000211371_100000182744 [1,0,0,0,0,0|3,0,0]=4 804 B16R0.68 CCCCNC(=O)CNCCCOCCCC 34a_200000211371_100000182744 [1,0,0,0,0,0|3,0,0]=4 805 B16R0.68 CCCCNC(=O)COCCCCCCCBr 34a_100000760002_100000182744 [1,0,0,0,0,0|3,0,0]=4 806 B16R0.68 CCCCNC(=O)COCCCCCCCBr 7a_100000760002_100000182744 [1,0,0,0,0,0|3,0,0]=4 807 B16R0.68 CCCCNC(=O)COCCCCCCCN 34a_100011996573_100000182744 [1,0,0,0,0,0|3,0,0]=4 808 B16R0.68 CCCCNC(=O)COCCCCCCOC 34a_200012092642_100000182744 [1,0,0,0,0,0|3,0,0]=4 809 B16R0.68 CCCCNC(=O)COCCCCCCOC 7a_200012092642_100000182744 [1,0,0,0,0,0|3,0,0]=4 810 B16R0.68 CCCCNC(=O)COCCCOCCCC 34a_200011215613_100000182744 [1,0,0,0,0,0|3,0,0]=4 811 B16R0.68 CCCCNC(=O)COCCCOCCCC 7a_200011215613_100000182744 [1,0,0,0,0,0|3,0,0]=4 812 B16R0.68 CCCCNC(=O)CSCCCCCCCO 62a_100000182744_100000760002 [1,0,0,0,0,0|3,0,0]=4 813 B16R0.68 CCCCNC(=O)CSCCCCCCCO 62a_100000760002_100000182744 [1,0,0,0,0,0|3,0,0]=4 814 B16R0.68 CCCCNC(=O)CSCCCCCCOC 62a_100000182744_100011998445 [1,0,0,0,0,0|3,0,0]=4 815 B16R0.68 CCCCNC(=O)CSCCCCCCOC 62a_100011998445_100000182744 [1,0,0,0,0,0|3,0,0]=4 816 B16R0.68 CCCCNC(=O)NCCCCCCCCO 2708a_100000102301_102515433106 [1,0,0,0,0,0|3,0,0]=4 817 B16R0.68 CCCCNC(=O)NCCCCCCCCO 2708a_102515433106_100000102301 [1,0,0,0,0,0|3,0,0]=4 818 B16R0.68 CCCCNC(=O)NCCCCCCCCO 273464a_100000102301_102515433106 [1,0,0,0,0,0|3,0,0]=4 819 B16R0.68 CCCCNC(=O)NCCCCCCCCO 273464a_102515433106_100000102301 [1,0,0,0,0,0|3,0,0]=4 820 B16R0.68 CCCCNC(=O)NCCCCCCCCO 512a_100000102301_102515433106 [1,0,0,0,0,0|3,0,0]=4 821 B16R0.68 CCCCNC(=O)NCCCCCCCCO 512a_102515433106_100000102301 [1,0,0,0,0,0|3,0,0]=4 822 B16R0.68 CCCCOC(=O)CNCCCCCCCO 2230a_100011996573_100000211628 [1,0,0,0,0,0|2,0,0]=3 823 B16R0.68 CCCCOC(=O)CNCCCCCCCO 34a_100011996573_100000211628 [1,0,0,0,0,0|2,0,0]=3 824 B16R0.68 CCCCOC(=O)CNCCCOCCCO 2230a_100011310245_100000211628 [1,0,0,0,0,0|3,0,0]=4 825 B16R0.68 CCCCOC(=O)CNCCCOCCCO 34a_100011310245_100000211628 [1,0,0,0,0,0|3,0,0]=4 826 B16R0.68 CCCCOC(=O)CNCCCOCCOC 2230a_100000206027_100000211628 [1,0,0,0,0,0|3,0,0]=4 827 B16R0.68 CCCCOC(=O)CNCCCOCCOC 34a_100000206027_100000211628 [1,0,0,0,0,0|3,0,0]=4 828 B16R0.68 CCCCOC(=O)CNCCOCCOCC 2230a_100102712874_100000211628 [1,0,0,0,0,0|3,0,0]=4 829 B16R0.68 CCCCOC(=O)CNCCOCCOCC 34a_100102712874_100000211628 [1,0,0,0,0,0|3,0,0]=4 830 B16R0.68 CCCCOC(=O)COCCCCCCCBr 34a_100000760002_100000211628 [1,0,0,0,0,0|2,0,0]=3 831 B16R0.68 CCCCOC(=O)COCCCCCCCBr 7a_100000760002_100000211628 [1,0,0,0,0,0|2,0,0]=3 832 B16R0.68 CCCCOC(=O)COCCCCCCCN 34a_100011996573_100000211628 [1,0,0,0,0,0|2,0,0]=3 833 B16R0.68 CCCCOC(=O)COCCCCCCOC 34a_200012092642_100000211628 [1,0,0,0,0,0|2,0,0]=3 834 B16R0.68 CCCCOC(=O)COCCCCCCOC 7a_200012092642_100000211628 [1,0,0,0,0,0|2,0,0]=3 835 B16R0.68 CCCCOC(=O)COCCCOCCCN 34a_100011310245_100000211628 [1,0,0,0,0,0|3,0,0]=4 836 B16R0.68 CCCCOC(=O)COCCOCCOCC 34a_100000210240_100000211628 [1,0,0,0,0,0|3,0,0]=4 837 B16R0.68 CCCCOC(=O)COCCOCCOCC 7a_100000210240_100000211628 [1,0,0,0,0,0|3,0,0]=4 838 B16R0.68 CCCCOC(=O)CSCCCCCCC#N 62a_100000211628_100009813337 [1,0,0,0,0,0|2,0,1]=4 839 B16R0.68 CCCCOC(=O)CSCCCCCCC#N 62a_100009813337_100000211628 [1,0,0,0,0,0|2,0,1]=4 840 B16R0.68 CCCCOC(=O)CSCCCCCCCO 62a_100000211628_100000760002 [1,0,0,0,0,0|2,0,0]=3 841 B16R0.68 CCCCOC(=O)CSCCCCCCCO 62a_100000760002_100000211628 [1,0,0,0,0,0|2,0,0]=3 842 B16R0.68 CCCCOC(=O)CSCCCCCCOC 62a_100000211628_100011998445 [1,0,0,0,0,0|2,0,0]=3 843 B16R0.68 CCCCOC(=O)CSCCCCCCOC 62a_100011998445_100000211628 [1,0,0,0,0,0|2,0,0]=3 844 B16R0.68 CCCCOC(=O)CSCCCOCCOC 62a_100000211628_100011216529 [1,0,0,0,0,0|3,0,0]=4 845 B16R0.68 CCCCOC(=O)CSCCCOCCOC 62a_100011216529_100000211628 [1,0,0,0,0,0|3,0,0]=4 846 B16R0.68 CCCCOC(=O)CSCCOCCOCC 62a_100000211628_100011211534 [1,0,0,0,0,0|3,0,0]=4 847 B16R0.68 CCCCOC(=O)CSCCOCCOCC 62a_100011211534_100000211628 [1,0,0,0,0,0|3,0,0]=4 848 B16R0.68 CCCCOCCCNCC(=O)OCCCC 2230a_200000211371_100000211628 [1,0,0,0,0,0|2,0,0]=3 849 B16R0.68 CCCCOCCCNCC(=O)OCCCC 34a_200000211371_100000211628 [1,0,0,0,0,0|2,0,0]=3 850 B16R0.68 CCCCOCCCNCC(=O)OCCOC 2230a_200000211371_200000040189 [1,0,0,0,0,0|3,0,0]=4 851 B16R0.68 CCCCOCCCNCC(=O)OCCOC 34a_200000211371_200000040189 [1,0,0,0,0,0|3,0,0]=4 852 B16R0.68 CCCCOCCCOCC(=O)OCCCC 34a_200011215613_100000211628 [1,0,0,0,0,0|2,0,0]=3 853 B16R0.68 CCCCOCCCOCC(=O)OCCCC 7a_200011215613_100000211628 [1,0,0,0,0,0|2,0,0]=3 854 B16R0.68 CCCCOCCCOCC(=O)OCCOC 34a_200011215613_200000040189 [1,0,0,0,0,0|3,0,0]=4 855 B16R0.68 CCCCOCCCOCC(=O)OCCOC 7a_200011215613_200000040189 [1,0,0,0,0,0|3,0,0]=4 856 B16R0.68 CCCNNC(=O)CCCCCCCCCF 22a_100000740057_200009909015 [1,0,0,0,0,0|3,0,0]=4 857 B16R0.68 CCCNNC(=O)CCCCCCCCCO 22a_100000740057_100000032657 [1,0,0,0,0,0|3,0,0]=4 858 B16R0.68 CCCOCC(=O)CCCCCCCCCO 1458a_100000745993_100009813782 [1,0,0,0,0,0|3,0,0]=4 859 B16R0.68 CCCSCC(=O)CCCCCCCCCO 1458a_100000217233_100009813782 [1,0,0,0,0,0|3,0,0]=4 860 B16R0.68 CCOCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215890 [1,0,0,0,0,0|3,0,0]=4 861 B16R0.68 CCOCCC(=O)CCCCCCCCCO 1458a_100000749530_100009813782 [1,0,0,0,0,0|3,0,0]=4 862 B16R0.68 CCSCCC(=O)CCCCCCCCCF 1458a_200009909015_100000757381 [1,0,0,0,0,0|3,0,0]=4 863 B16R0.68 CCSCCC(=O)CCCCCCCCCO 1458a_100000230768_100009813782 [1,0,0,0,0,0|3,0,0]=4 864 B16R0.68 COCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000740836 [1,0,0,0,0,0|3,0,0]=4 865 B16R0.68 COCCCC(=O)CCCCCCCCCO 1458a_100000741012_100009813782 [1,0,0,0,0,0|3,0,0]=4 866 B16R0.68 COCCCCCCOCC(=O)OCCOC 34a_200012092642_200000040189 [1,0,0,0,0,0|3,0,0]=4 867 B16R0.68 COCCCCCCOCC(=O)OCCOC 7a_200012092642_200000040189 [1,0,0,0,0,0|3,0,0]=4 868 B16R0.68 COCCCCCCSCC(=O)OCCOC 62a_100011998445_200000040189 [1,0,0,0,0,0|3,0,0]=4 869 B16R0.68 COCCCCCCSCC(=O)OCCOC 62a_200000040189_100011998445 [1,0,0,0,0,0|3,0,0]=4 870 B16R0.68 COCCNC(=O)CCCCCCCCCF 240690a_100000209980_200009909015 [1,0,0,0,0,0|3,0,0]=4 871 B16R0.68 COCCNC(=O)CCCCCCCCCF 527a_100000209980_200009909015 [1,0,0,0,0,0|3,0,0]=4 872 B16R0.68 COCCNC(=O)CCCCCCCCCO 240690a_100000209980_100000032657 [1,0,0,0,0,0|3,0,0]=4 873 B16R0.68 COCCOC(=O)CNCCCCCCCO 2230a_100011996573_200000040189 [1,0,0,0,0,0|3,0,0]=4 874 B16R0.68 COCCOC(=O)CNCCCCCCCO 34a_100011996573_200000040189 [1,0,0,0,0,0|3,0,0]=4 875 B16R0.68 COCCOC(=O)COCCCCCCCBr 34a_100000760002_200000040189 [1,0,0,0,0,0|3,0,0]=4 876 B16R0.68 COCCOC(=O)COCCCCCCCBr 7a_100000760002_200000040189 [1,0,0,0,0,0|3,0,0]=4 877 B16R0.68 COCCOC(=O)COCCCCCCCN 34a_100011996573_200000040189 [1,0,0,0,0,0|3,0,0]=4 878 B16R0.68 COCCOC(=O)CSCCCCCCCO 62a_100000760002_200000040189 [1,0,0,0,0,0|3,0,0]=4 879 B16R0.68 COCCOC(=O)CSCCCCCCCO 62a_200000040189_100000760002 [1,0,0,0,0,0|3,0,0]=4 880 B16R0.68 CSCCCC(=O)CCCCCCCCCO 1458a_100000173376_100009813782 [1,0,0,0,0,0|3,0,0]=4 881 B16R0.68 CSCCNC(=O)CCCCCCCCCF 11a_100020590264_200009909015 [1,0,0,0,0,0|3,0,0]=4 882 B16R0.68 CSCCNC(=O)CCCCCCCCCF 240690a_100020590264_200009909015 [1,0,0,0,0,0|3,0,0]=4 883 B16R0.68 CSCCNC(=O)CCCCCCCCCF 527a_100020590264_200009909015 [1,0,0,0,0,0|3,0,0]=4 884 B16R0.68 CSCCNC(=O)CCCCCCCCCO 240690a_100020590264_100000032657 [1,0,0,0,0,0|3,0,0]=4 885 B16R0.68 O=C(CCCCCCCCCF)NCCCF 11a_100015189416_200009909015 [1,0,0,0,0,0|3,0,0]=4 886 B16R0.68 O=C(CCCCCCCCCF)NCCCF 240690a_100015189416_200009909015 [1,0,0,0,0,0|3,0,0]=4 887 B16R0.68 O=C(CCCCCCCCCF)NCCCF 527a_100015189416_200009909015 [1,0,0,0,0,0|3,0,0]=4 888 B16R0.68 O=C(CCCCCCCCCF)NCCCO 240690a_100000182051_200009909015 [1,0,0,0,0,0|3,0,0]=4 889 B16R0.68 O=C(CCCCCCCCCF)NCCCO 527a_100000182051_200009909015 [1,0,0,0,0,0|3,0,0]=4 890 B16R0.68 O=C(CCCCCCCCCO)NCCCF 240690a_100015189416_100000032657 [1,0,0,0,0,0|3,0,0]=4 891 B16R0.68 O=C(CCCCCCCCCO)NCCCO 240690a_100000182051_100000032657 [1,0,0,0,0,0|3,0,0]=4 892 B16R0.68 O=C(CCCCF)CCCCCCCCCF 1458a_200009909015_100000729493 [1,0,0,0,0,0|3,0,0]=4 893 B16R0.68 O=C(CCCCO)CCCCCCCCCF 1458a_200009909015_100000210776 [1,0,0,0,0,0|3,0,0]=4 894 B16R0.68 O=C(CCCCO)CCCCCCCCCO 1458a_100000695505_100009813782 [1,0,0,0,0,0|3,0,0]=4 895 B16R0.303 C#CCCCCCCCCCCOCCCC 34a_100000054667_100000210210 [1,0,0,0,0,0|0,0,3]=4 896 B16R0.303 C#CCCCCCCCCCCOCCCC 7a_100000054667_100000210211 [1,0,0,0,0,0|0,0,3]=4 897 B16R0.303 C#CCCOCCCCCCCCCCCC 34a_100000210810_100000688953 [1,0,0,0,0,0|0,0,3]=4 898 B16R0.303 C#CCCOCCCCCCCCCCCC 34a_100011215631_100000759014 [1,0,0,0,0,0|0,0,3]=4 899 B16R0.303 C#CCCOCCCCCCCCCCCC 7a_100000210810_100000688953 [1,0,0,0,0,0|0,0,3]=4 900 B16R0.303 C/C=C/COCCCCCCCCCCCC 34a_100000210810_100102629194 [1,0,0,0,0,0|0,0,3]=4 901 B16R0.303 C/C=C/COCCCCCCCCCCCC 34a_100016270725_100000759014 [1,0,0,0,0,0|0,0,3]=4 902 B16R0.303 C/C=C/COCCCCCCCCCCCC 7a_100000210810_100102629194 [1,0,0,0,0,0|0,0,3]=4 903 B16R0.303 C=CCCCCCCCCCCOCCCC 34a_100000210227_100011093070 [1,0,0,0,0,0|0,0,3]=4 904 B16R0.303 C=CCCCCCCCCCCOCCCC 7a_100000210227_100011093070 [1,0,0,0,0,0|0,0,3]=4 905 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100000210810_100000754431 [1,0,0,0,0,0|0,0,3]=4 906 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100011205117_100000759014 [1,0,0,0,0,0|0,0,3]=4 907 B16R0.303 C=CCCOCCCCCCCCCCCC 7a_100000210810_100000754431 [1,0,0,0,0,0|0,0,3]=4 908 B16R0.303 CC#CCOCCCCCCCCCCCC 34a_100000210810_100000748600 [1,0,0,0,0,0|0,0,3]=4 909 B16R0.303 CC#CCOCCCCCCCCCCCC 34a_100000761923_100000759014 [1,0,0,0,0,0|0,0,3]=4 910 B16R0.303 CC#CCOCCCCCCCCCCCC 7a_100000210810_100000748600 [1,0,0,0,0,0|0,0,3]=4 911 B16R0.303 CC=CCOCCCCCCCCCCCC 34a_100000210810_100000070051 [1,0,0,0,0,0|0,0,3]=4 912 B16R0.303 CC=CCOCCCCCCCCCCCC 7a_100000210810_100000070051 [1,0,0,0,0,0|0,0,3]=4 913 B16R0.303 CCC#CCCCCCCCCOCCCC 34a_200000031908_100000210210 [1,0,0,0,0,0|0,0,3]=4 914 B16R0.303 CCC#CCCCCCCCCOCCCC 7a_200000031908_100000210211 [1,0,0,0,0,0|0,0,3]=4 915 B16R0.303 CCCC/C=C/CCCCOCCCCCC 34a_200020645093_100000210314 [1,0,0,0,0,0|2,0,0]=3 916 B16R0.303 CCCC/C=C/CCCCOCCCCCC 7a_200020645093_100000210314 [1,0,0,0,0,0|2,0,0]=3 917 B16R0.303 CCCC/C=C/CCCCOCCCCCF 34a_200020645093_100000729378 [1,0,0,0,0,0|3,0,0]=4 918 B16R0.303 CCCC/C=C/CCCCOCCCCCF 7a_200020645093_100000729378 [1,0,0,0,0,0|3,0,0]=4 919 B16R0.303 CCCC/C=C/CCCCOCCCCCO 34a_200020645093_100000746330 [1,0,0,0,0,0|3,0,0]=4 920 B16R0.303 CCCC/C=C/CCCCOCCCCCO 7a_200020645093_100000746330 [1,0,0,0,0,0|3,0,0]=4 921 B16R0.303 CCCC/C=C/CCCCOCCCCOC 34a_200020645093_100000755781 [1,0,0,0,0,0|3,0,0]=4 922 B16R0.303 CCCC/C=C/CCCCOCCCCOC 7a_200020645093_100000730899 [1,0,0,0,0,0|3,0,0]=4 923 B16R0.303 CCCC/C=C/CCCCOCCCOCC 34a_200020645093_100012232248 [1,0,0,0,0,0|3,0,0]=4 924 B16R0.303 CCCC/C=C/CCCCOCCCOCC 7a_200020645093_100012232248 [1,0,0,0,0,0|3,0,0]=4 925 B16R0.303 CCCC/C=C/CCCCOCCOCCC 34a_200020645093_100011215938 [1,0,0,0,0,0|3,0,0]=4 926 B16R0.303 CCCC/C=C/CCCCOCCOCCC 7a_200020645093_100011215938 [1,0,0,0,0,0|3,0,0]=4 927 B16R0.303 CCCC/C=C/CCCCOCOCCCC 34a_200020645093_100011995733 [1,0,0,0,0,0|3,0,0]=4 928 B16R0.303 CCCC/C=C/COCCCCCCCCC 34a_200016272032_100011214924 [1,0,0,0,0,0|2,0,0]=3 929 B16R0.303 CCCC/C=C/COCCCCCCCCC 7a_200016272032_100000210328 [1,0,0,0,0,0|2,0,0]=3 930 B16R0.303 CCCC/C=C/COCCCCCCCCO 34a_200016272032_100000033203 [1,0,0,0,0,0|3,0,0]=4 931 B16R0.303 CCCC/C=C/COCCCCCCCCO 7a_200016272032_100000033203 [1,0,0,0,0,0|3,0,0]=4 932 B16R0.303 CCCC/C=C\CCCCCCCCOCC 34a_100020587526_100000210202 [1,0,0,0,0,0|2,0,0]=3 933 B16R0.303 CCCC/C=C\CCCCCCCCOCC 7a_100020587526_100000210202 [1,0,0,0,0,0|2,0,0]=3 934 B16R0.303 CCCC/C=C\CCCCCCCCOCF 34a_100020587526_100015361967 [1,0,0,0,0,0|3,0,0]=4 935 B16R0.303 CCCC/C=C\CCCCCCCCOCF 7a_100020587526_100015361967 [1,0,0,0,0,0|3,0,0]=4 936 B16R0.303 CCCC/C=C\CCOCCCCCCCC 34a_200016286491_100000210759 [1,0,0,0,0,0|2,0,0]=3 937 B16R0.303 CCCC/C=C\CCOCCCCCCCC 7a_200016286491_100000210759 [1,0,0,0,0,0|2,0,0]=3 938 B16R0.303 CCCC/C=C\CCOCCCCCCCO 34a_200016286491_100000760002 [1,0,0,0,0,0|3,0,0]=4 939 B16R0.303 CCCC/C=C\CCOCCCCCCCO 7a_200016286491_100000760002 [1,0,0,0,0,0|3,0,0]=4 940 B16R0.303 CCCC/C=C\CCOCCCCCCOC 34a_200016286491_100011998445 [1,0,0,0,0,0|3,0,0]=4 941 B16R0.303 CCCC/C=C\CCOCCCCCCOC 7a_200016286491_100011998445 [1,0,0,0,0,0|3,0,0]=4 942 B16R0.303 CCCCC#CCCCCCCNCCCC 2230a_100000102301_200000043322 [1,0,0,0,0,0|2,0,1]=4 943 B16R0.303 CCCCC#CCCCCCCNCCCC 7a_106832991798_200000043322 [1,0,0,0,0,0|2,0,1]=4 944 B16R0.303 CCCCC#CCCCCCCOCCCC 34a_100000210227_200000043322 [1,0,0,0,0,0|0,0,3]=4 945 B16R0.303 CCCCC#CCCCCCCOCCCC 7a_100000210227_200000043322 [1,0,0,0,0,0|0,0,3]=4 946 B16R0.303 CCCCC#CCCCCCCSCCCC 62a_100000210211_200000043322 [1,0,0,0,0,0|2,0,1]=4 947 B16R0.303 CCCCC#CCCCCCCSCCCC 62a_200000043322_100000210210 [1,0,0,0,0,0|2,0,1]=4 948 B16R0.303 CCCCC#CCCCCOCCCCCC 34a_200000066234_100000210314 [1,0,0,0,0,0|2,0,1]=4 949 B16R0.303 CCCCC#CCCCCOCCCCCC 7a_200000066234_100000210314 [1,0,0,0,0,0|2,0,1]=4 950 B16R0.303 CCCCC#CCCCNCCCCCCC 2230a_100000229938_200000047210 [1,0,0,0,0,0|2,0,1]=4 951 B16R0.303 CCCCC#CCCCOCCCCCCC 34a_100000210272_200000047210 [1,0,0,0,0,0|2,0,1]=4 952 B16R0.303 CCCCC#CCCCOCCCCCCC 7a_100000210272_200000047210 [1,0,0,0,0,0|2,0,1]=4 953 B16R0.303 CCCCC#CCCCSCCCCCCC 62a_100000210614_200000047210 [1,0,0,0,0,0|2,0,1]=4 954 B16R0.303 CCCCC#CCCCSCCCCCCC 62a_200000047210_100000210316 [1,0,0,0,0,0|2,0,1]=4 955 B16R0.303 CCCCC#CCCOCCCCCCCC 34a_100000037610_100000210759 [1,0,0,0,0,0|2,0,1]=4 956 B16R0.303 CCCCC#CCCOCCCCCCCC 7a_100000037610_100000210759 [1,0,0,0,0,0|2,0,1]=4 957 B16R0.303 CCCCC#CCOCCCCCCCCC 34a_200000034558_100011214924 [1,0,0,0,0,0|2,0,1]=4 958 B16R0.303 CCCCC#CCOCCCCCCCCC 7a_200000034558_100000210328 [1,0,0,0,0,0|2,0,1]=4 959 B16R0.303 CCCCC/C=C/COCCCCCCCC 34a_100016258190_100000210759 [1,0,0,0,0,0|2,0,1]=4 960 B16R0.303 CCCCC/C=C/COCCCCCCCC 7a_100016258190_100000210759 [1,0,0,0,0,0|2,0,1]=4 961 B16R0.303 CCCCC/C=C\CCCOCCCCCC 34a_100020655193_100000210314 [1,0,0,0,0,0|2,0,1]=4 962 B16R0.303 CCCCC/C=C\CCCOCCCCCC 7a_100020655193_100000210314 [1,0,0,0,0,0|2,0,1]=4 963 B16R0.303 CCCCC/C=C\CCOCCCCCCC 34a_100016277358_100000210614 [1,0,0,0,0,0|2,0,1]=4 964 B16R0.303 CCCCC/C=C\CCOCCCCCCC 7a_100016277358_100000210614 [1,0,0,0,0,0|2,0,1]=4 965 B16R0.303 CCCCCCCCC/C=C/COCCCC 34a_100015232335_100000210210 [1,0,0,0,0,0|0,0,3]=4 966 B16R0.303 CCCCCCCCC/C=C/COCCCC 7a_100015232335_100000210211 [1,0,0,0,0,0|0,0,3]=4 967 B16R0.303 CCCCCCCCCC/C=C/COCCC 34a_200025761149_100000210303 [1,0,0,0,0,0|2,0,1]=4 968 B16R0.303 CCCCCCCCCC/C=C/COCCC 7a_200025761149_100000210303 [1,0,0,0,0,0|2,0,1]=4 969 B16R0.303 CCCCCCCCCCC=NNCCCC 4a_100025702795_100011218819 [1,0,0,0,0,0|2,0,1]=4 970 B16R0.303 CCCCCCCCCCCC=NNCCC 4a_100000740057_100011218549 [1,0,0,0,0,0|2,0,0]=3 971 B16R0.303 CCCCCCCCCCCC=NNCCO 4a_100000210001_100011218549 [1,0,0,0,0,0|3,0,0]=4 972 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_106832991635_100000210322 [1,0,0,0,0,0|2,0,1]=4 973 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_200000297553_200000210301 [1,0,0,0,0,0|2,0,1]=4 974 B16R0.303 CCCCCCCCCCCCCCCNC 270004a_106832991635_100012088177 [1,0,0,0,0,0|2,0,1]=4 975 B16R0.303 CCCCCCCCCCCCCCCNC 34a_100102657272_100000210322 [1,0,0,0,0,0|2,0,1]=4 976 B16R0.303 CCCCCCCCCCCCCCCNC 34a_200000297553_200000210301 [1,0,0,0,0,0|2,0,1]=4 977 B16R0.303 CCCCCCCCCCCCCCCNC 7a_106832991635_100000210322 [1,0,0,0,0,0|2,0,1]=4 978 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 2230a_200000297553_200025704644 [1,0,0,0,0,0|2,0,1]=4 979 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 34a_200000297553_200025704644 [1,0,0,0,0,0|2,0,1]=4 980 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100000272386_200000210301 [1,0,0,0,0,0|2,0,1]=4 981 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100138415774_100000210322 [1,0,0,0,0,0|2,0,1]=4 982 B16R0.303 CCCCCCCCCCCCCCCOC 7a_100000272386_200000210301 [1,0,0,0,0,0|2,0,1]=4 983 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 34a_100000272386_200025704644 [1,0,0,0,0,0|2,0,1]=4 984 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 7a_100000272386_200025704644 [1,0,0,0,0,0|2,0,1]=4 985 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100011217771_100000210202 [1,0,0,0,0,0|2,0,1]=4 986 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100015525214_100011215471 [1,0,0,0,0,0|2,0,1]=4 987 B16R0.303 CCCCCCCCCCCCCCNCC 270004a_100015525214_200011216147 [1,0,0,0,0,0|2,0,1]=4 988 B16R0.303 CCCCCCCCCCCCCCNCC 34a_100011217771_100000210202 [1,0,0,0,0,0|2,0,1]=4 989 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100000210739_100000210202 [1,0,0,0,0,0|2,0,1]=4 990 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100121572206_100011215471 [1,0,0,0,0,0|2,0,1]=4 991 B16R0.303 CCCCCCCCCCCCCCOCC 7a_100000210739_100000210202 [1,0,0,0,0,0|2,0,1]=4 992 B16R0.303 CCCCCCCCCCCCCNCCC 2230a_100011215765_100000210303 [1,0,0,0,0,0|2,0,1]=4 993 B16R0.303 CCCCCCCCCCCCCNCCC 270004a_100020643023_200011215488 [1,0,0,0,0,0|2,0,1]=4 994 B16R0.303 CCCCCCCCCCCCCNCCC 34a_100011215765_100000210303 [1,0,0,0,0,0|2,0,1]=4 995 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000185773_100000210303 [1,0,0,0,0,0|2,0,1]=4 996 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000210258_100000210684 [1,0,0,0,0,0|2,0,1]=4 997 B16R0.303 CCCCCCCCCCCCCOCCC 7a_100000185773_100000210303 [1,0,0,0,0,0|2,0,1]=4 998 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000102301_100011215052 [1,0,0,0,0,0|1,0,1]=3 999 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000210451_100000210211 [1,0,0,0,0,0|1,0,1]=3 1000 B16R0.303 CCCCCCCCCCCCNCCCC 270004a_100000102301_100011218549 [1,0,0,0,0,0|1,0,1]=3 1001 B16R0.303 CCCCCCCCCCCCNCCCC 34a_100000210451_100000210210 [1,0,0,0,0,0|1,0,1]=3 1002 B16R0.303 CCCCCCCCCCCCNCCCC 7a_106832991798_100000759014 [1,0,0,0,0,0|1,0,1]=3 1003 B16R0.303 CCCCCCCCCCCCNCCCF 2230a_100000210451_100011934791 [1,0,0,0,0,0|2,0,1]=4 1004 B16R0.303 CCCCCCCCCCCCNCCCF 2230a_100015189416_100011215052 [1,0,0,0,0,0|2,0,1]=4 1005 B16R0.303 CCCCCCCCCCCCNCCCF 270004a_100015189416_100011218549 [1,0,0,0,0,0|2,0,1]=4 1006 B16R0.303 CCCCCCCCCCCCNCCCF 34a_100000210451_100011934791 [1,0,0,0,0,0|2,0,1]=4 1007 B16R0.303 CCCCCCCCCCCCNCCCF 34a_100015189416_100000759014 [1,0,0,0,0,0|2,0,1]=4 1008 B16R0.303 CCCCCCCCCCCCNCCCO 2230a_100000210451_100000230001 [1,0,0,0,0,0|2,0,1]=4 1009 B16R0.303 CCCCCCCCCCCCNCCCO 270004a_100000182051_100011218549 [1,0,0,0,0,0|2,0,1]=4 1010 B16R0.303 CCCCCCCCCCCCNCCCO 34a_100000210451_100000230001 [1,0,0,0,0,0|2,0,1]=4 1011 B16R0.303 CCCCCCCCCCCCNCCOC 2230a_100000209980_100011215052 [1,0,0,0,0,0|2,0,1]=4 1012 B16R0.303 CCCCCCCCCCCCNCCOC 2230a_100000210451_100011201679 [1,0,0,0,0,0|2,0,1]=4 1013 B16R0.303 CCCCCCCCCCCCNCCOC 270004a_100000209980_100011218549 [1,0,0,0,0,0|2,0,1]=4 1014 B16R0.303 CCCCCCCCCCCCNCCOC 34a_100000210451_100011201679 [1,0,0,0,0,0|2,0,1]=4 1015 B16R0.303 CCCCCCCCCCCCNCCSC 2230a_100000210451_100000751147 [1,0,0,0,0,0|2,0,1]=4 1016 B16R0.303 CCCCCCCCCCCCNCCSC 2230a_100020590264_100011215052 [1,0,0,0,0,0|2,0,1]=4 1017 B16R0.303 CCCCCCCCCCCCNCCSC 270004a_100020590264_100011218549 [1,0,0,0,0,0|2,0,1]=4 1018 B16R0.303 CCCCCCCCCCCCNCCSC 34a_100000210451_100000212216 [1,0,0,0,0,0|2,0,1]=4 1019 B16R0.303 CCCCCCCCCCCCOCCC#N 7a_100000210810_100000184422 [1,0,0,0,0,0|1,0,2]=4 1020 B16R0.303 CCCCCCCCCCCCOCCCBr 34a_100011217188_100000759014 [1,0,0,0,0,0|1,0,1]=3 1021 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210227_100000759014 [1,0,0,0,0,0|0,0,1]=2 1022 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210810_100000210210 [1,0,0,0,0,0|0,0,1]=2 1023 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210227_100000759014 [1,0,0,0,0,0|0,0,1]=2 1024 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210810_100000210211 [1,0,0,0,0,0|0,0,1]=2 1025 B16R0.303 CCCCCCCCCCCCOCCCCl 34a_100000230001_100000759014 [1,0,0,0,0,0|1,0,1]=3 1026 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000210810_100011934791 [1,0,0,0,0,0|1,0,1]=3 1027 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000759539_100000759014 [1,0,0,0,0,0|1,0,1]=3 1028 B16R0.303 CCCCCCCCCCCCOCCCF 7a_100000210810_100011934791 [1,0,0,0,0,0|1,0,1]=3 1029 B16R0.303 CCCCCCCCCCCCOCCCN 34a_100000182051_100000759014 [1,0,0,0,0,0|1,0,1]=3 1030 B16R0.303 CCCCCCCCCCCCOCCCO 34a_100000210810_100000230001 [1,0,0,0,0,0|1,0,1]=3 1031 B16R0.303 CCCCCCCCCCCCOCCCO 7a_100000210810_100011215043 [1,0,0,0,0,0|1,0,1]=3 1032 B16R0.303 CCCCCCCCCCCCOCCOC 34a_100000210237_100000759014 [1,0,0,0,0,0|1,0,1]=3 1033 B16R0.303 CCCCCCCCCCCCOCCOC 34a_100000210810_100011201679 [1,0,0,0,0,0|1,0,1]=3 1034 B16R0.303 CCCCCCCCCCCCOCCOC 7a_100000210810_100000233755 [1,0,0,0,0,0|1,0,1]=3 1035 B16R0.303 CCCCCCCCCCCCOCCON 34a_100000700252_100000759014 [1,0,0,0,0,0|2,0,1]=4 1036 B16R0.303 CCCCCCCCCCCCOCCSC 34a_100000210810_100000212216 [1,0,0,0,0,0|1,0,1]=3 1037 B16R0.303 CCCCCCCCCCCCOCCSC 34a_100000230434_100000759014 [1,0,0,0,0,0|1,0,1]=3 1038 B16R0.303 CCCCCCCCCCCCOCCSC 7a_100000210810_100000212216 [1,0,0,0,0,0|1,0,1]=3 1039 B16R0.303 CCCCCCCCCCCCOCCSC 7a_100000230434_100000759014 [1,0,0,0,0,0|1,0,1]=3 1040 B16R0.303 CCCCCCCCCCCCSCCCO 62a_100011215043_100000759014 [1,0,0,0,0,0|1,1,1]=4 1041 B16R0.303 CCCCCCCCCCCCSCCOC 34a_100005618841_200000210301 [1,0,0,0,0,0|1,1,1]=4 1042 B16R0.303 CCCCCCCCCCCCSCCOC 62a_100000233755_100000759014 [1,0,0,0,0,0|1,1,1]=4 1043 B16R0.303 CCCCCCCCCCCCSCCOC 7a_100005618841_200000210301 [1,0,0,0,0,0|1,1,1]=4 1044 B16R0.303 CCCCCCCCCCCCSCCO[13CH3] 34a_100005618841_200025704644 [1,0,0,0,0,0|1,1,1]=4 1045 B16R0.303 CCCCCCCCCCCCSCCO[13CH3] 7a_100005618841_200025704644 [1,0,0,0,0,0|1,1,1]=4 1046 B16R0.303 CCCCCCCCCCCCSCOCC 62a_100000739092_100000759014 [1,0,0,0,0,0|1,1,1]=4 1047 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_100000209983_100011215454 [1,0,0,0,0,0|2,0,0]=3 1048 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_200011215754_100000210326 [1,0,0,0,0,0|2,0,0]=3 1049 B16R0.303 CCCCCCCCCCCNCCCCC 34a_200011215754_100000718602 [1,0,0,0,0,0|2,0,0]=3 1050 B16R0.303 CCCCCCCCCCCNCCCCF 2230a_200011215754_100000729493 [1,0,0,0,0,0|3,0,0]=4 1051 B16R0.303 CCCCCCCCCCCNCCCCF 34a_200011215754_100000729493 [1,0,0,0,0,0|3,0,0]=4 1052 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_100000750430_100011215454 [1,0,0,0,0,0|3,0,0]=4 1053 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_200011215754_100000210776 [1,0,0,0,0,0|3,0,0]=4 1054 B16R0.303 CCCCCCCCCCCNCCCCO 34a_100000750430_100011215454 [1,0,0,0,0,0|3,0,0]=4 1055 B16R0.303 CCCCCCCCCCCNCCCCO 34a_200011215754_100011216708 [1,0,0,0,0,0|3,0,0]=4 1056 B16R0.303 CCCCCCCCCCCNCCCOC 2230a_200011215754_100000740836 [1,0,0,0,0,0|3,0,0]=4 1057 B16R0.303 CCCCCCCCCCCNCCCOC 34a_100150723488_100011215454 [1,0,0,0,0,0|3,0,0]=4 1058 B16R0.303 CCCCCCCCCCCNCCCOC 34a_200011215754_100000740836 [1,0,0,0,0,0|3,0,0]=4 1059 B16R0.303 CCCCCCCCCCCNCCCSC 2230a_100000749238_100011215454 [1,0,0,0,0,0|3,0,0]=4 1060 B16R0.303 CCCCCCCCCCCNCCOCC 2230a_102516460346_100011215454 [1,0,0,0,0,0|3,0,0]=4 1061 B16R0.303 CCCCCCCCCCCNCCOCC 2230a_200011215754_100011215890 [1,0,0,0,0,0|3,0,0]=4 1062 B16R0.303 CCCCCCCCCCCNCCOCC 34a_102516460346_100011215454 [1,0,0,0,0,0|3,0,0]=4 1063 B16R0.303 CCCCCCCCCCCNCCOCC 34a_200011215754_100000210147 [1,0,0,0,0,0|3,0,0]=4 1064 B16R0.303 CCCCCCCCCCCNCCSCC 2230a_100000106463_100011215454 [1,0,0,0,0,0|3,0,0]=4 1065 B16R0.303 CCCCCCCCCCCNCCSCC 2230a_200011215754_100000757381 [1,0,0,0,0,0|3,0,0]=4 1066 B16R0.303 CCCCCCCCCCCNCCSCC 34a_200011215754_100000757381 [1,0,0,0,0,0|3,0,0]=4 1067 B16R0.303 CCCCCCCCCCCOCCCCBr 34a_100011216708_100011215454 [1,0,0,0,0,0|3,0,0]=4 1068 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210253_100011215454 [1,0,0,0,0,0|2,0,0]=3 1069 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210809_100000718602 [1,0,0,0,0,0|2,0,0]=3 1070 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210253_100011215454 [1,0,0,0,0,0|2,0,0]=3 1071 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210809_100000210326 [1,0,0,0,0,0|2,0,0]=3 1072 B16R0.303 CCCCCCCCCCCOCCCCCl 34a_100000210776_100011215454 [1,0,0,0,0,0|3,0,0]=4 1073 B16R0.303 CCCCCCCCCCCOCCCCCl 7a_100000210776_100011215454 [1,0,0,0,0,0|3,0,0]=4 1074 B16R0.303 CCCCCCCCCCCOCCCCF 34a_100000210809_100000729493 [1,0,0,0,0,0|3,0,0]=4 1075 B16R0.303 CCCCCCCCCCCOCCCCF 34a_100011995726_100011215454 [1,0,0,0,0,0|3,0,0]=4 1076 B16R0.303 CCCCCCCCCCCOCCCCF 7a_100000210809_100000729493 [1,0,0,0,0,0|3,0,0]=4 1077 B16R0.303 CCCCCCCCCCCOCCCCF 7a_100011995726_100011215454 [1,0,0,0,0,0|3,0,0]=4 1078 B16R0.303 CCCCCCCCCCCOCCCCI 34a_200012148704_100011215454 [1,0,0,0,0,0|3,0,0]=4 1079 B16R0.303 CCCCCCCCCCCOCCCCN 34a_100000750430_100011215454 [1,0,0,0,0,0|3,0,0]=4 1080 B16R0.303 CCCCCCCCCCCOCCCCO 34a_100000210809_100011216708 [1,0,0,0,0,0|3,0,0]=4 1081 B16R0.303 CCCCCCCCCCCOCCCCO 7a_100000210809_100000210776 [1,0,0,0,0,0|3,0,0]=4 1082 B16R0.303 CCCCCCCCCCCOCCCNC 34a_100000213112_100011215454 [1,0,0,0,0,0|3,0,0]=4 1083 B16R0.303 CCCCCCCCCCCOCCCOC 34a_100000210809_100000740836 [1,0,0,0,0,0|3,0,0]=4 1084 B16R0.303 CCCCCCCCCCCOCCCOC 34a_100000740835_100011215454 [1,0,0,0,0,0|3,0,0]=4 1085 B16R0.303 CCCCCCCCCCCOCCCOC 7a_100000210809_100000740836 [1,0,0,0,0,0|3,0,0]=4 1086 B16R0.303 CCCCCCCCCCCOCCCSC 34a_100000690336_100011215454 [1,0,0,0,0,0|3,0,0]=4 1087 B16R0.303 CCCCCCCCCCCOCCCSC 7a_100000690336_100011215454 [1,0,0,0,0,0|3,0,0]=4 1088 B16R0.303 CCCCCCCCCCCOCCOCC 34a_100000210136_100011215454 [1,0,0,0,0,0|3,0,0]=4 1089 B16R0.303 CCCCCCCCCCCOCCOCC 34a_100000210809_100000210147 [1,0,0,0,0,0|3,0,0]=4 1090 B16R0.303 CCCCCCCCCCCOCCOCC 34a_100010166600_100000210202 [1,0,0,0,0,0|3,0,0]=4 1091 B16R0.303 CCCCCCCCCCCOCCOCC 7a_100000210136_100011215454 [1,0,0,0,0,0|3,0,0]=4 1092 B16R0.303 CCCCCCCCCCCOCCOCC 7a_100000210809_100011215890 [1,0,0,0,0,0|3,0,0]=4 1093 B16R0.303 CCCCCCCCCCCOCCOCC 7a_100010166600_100000210202 [1,0,0,0,0,0|3,0,0]=4 1094 B16R0.303 CCCCCCCCCCCOCCSCC 34a_100000210809_100000757381 [1,0,0,0,0,0|3,0,0]=4 1095 B16R0.303 CCCCCCCCCCCOCCSCC 34a_100000212035_100011215454 [1,0,0,0,0,0|3,0,0]=4 1096 B16R0.303 CCCCCCCCCCCOCCSCC 7a_100000210809_100000757381 [1,0,0,0,0,0|3,0,0]=4 1097 B16R0.303 CCCCCCCCCCCOCCSCC 7a_100000212035_100011215454 [1,0,0,0,0,0|3,0,0]=4 1098 B16R0.303 CCCCCCCCCCCSCCCCO 62a_100000210776_100011215454 [1,0,0,0,0,0|3,0,0]=4 1099 B16R0.303 CCCCCCCCCCCSCCCOC 62a_100000709357_100011215454 [1,0,0,0,0,0|3,0,0]=4 1100 B16R0.303 CCCCCCCCCCCSCCOCC 62a_100000210147_100011215454 [1,0,0,0,0,0|3,0,0]=4 1101 B16R0.303 CCCCCCCCCCNCCCCCC 2230a_100000210581_100000210320 [1,0,0,0,0,0|2,0,1]=4 1102 B16R0.303 CCCCCCCCCCNCCCCCC 2230a_100000684558_100000210314 [1,0,0,0,0,0|2,0,1]=4 1103 B16R0.303 CCCCCCCCCCNCCCCCC 34a_100000684558_100000210314 [1,0,0,0,0,0|2,0,1]=4 1104 B16R0.303 CCCCCCCCCCNCOCCCC 2230a_100000684558_100011995733 [1,0,0,0,0,0|1,0,1]=3 1105 B16R0.303 CCCCCCCCCCNCOCCCC 34a_100000684558_100011995733 [1,0,0,0,0,0|1,0,1]=3 1106 B16R0.303 CCCCCCCCCCNCOCCOC 2230a_100000684558_100000231047 [1,0,0,0,0,0|2,0,1]=4 1107 B16R0.303 CCCCCCCCCCOCCCCCC 34a_100000210259_100000210320 [1,0,0,0,0,0|2,0,1]=4 1108 B16R0.303 CCCCCCCCCCOCCCCCC 34a_100000210711_100000210314 [1,0,0,0,0,0|2,0,1]=4 1109 B16R0.303 CCCCCCCCCCOCCCCCC 7a_100000210259_100000210320 [1,0,0,0,0,0|2,0,1]=4 1110 B16R0.303 CCCCCCCCCCOCCCCCC 7a_100000210711_100000210314 [1,0,0,0,0,0|2,0,1]=4 1111 B16R0.303 CCCCCCCCCCOCOCCCC 34a_100000210711_100011995733 [1,0,0,0,0,0|1,0,1]=3 1112 B16R0.303 CCCCCCCCCCSCOCCCC 62a_100011995733_100000210320 [1,0,0,0,0,0|1,0,1]=3 1113 B16R0.303 CCCCCCCCCCSCOCCOC 62a_100000231047_100000210320 [1,0,0,0,0,0|2,0,1]=4 1114 B16R0.303 CCCCCCCCCNCCCCCCC 2230a_100000212291_100000210681 [1,0,0,0,0,0|2,0,1]=4 1115 B16R0.303 CCCCCCCCCNCCCCCCC 2230a_100000229938_100011214924 [1,0,0,0,0,0|2,0,1]=4 1116 B16R0.303 CCCCCCCCCNCCCCCCC 34a_100000212291_100000210614 [1,0,0,0,0,0|2,0,1]=4 1117 B16R0.303 CCCCCCCCCNCCOCCCC 2230a_100000212291_100000743108 [1,0,0,0,0,0|1,0,1]=3 1118 B16R0.303 CCCCCCCCCNCCOCCCC 34a_100000212291_100000743108 [1,0,0,0,0,0|1,0,1]=3 1119 B16R0.303 CCCCCCCCCNCCOCCOC 2230a_100000212291_100000695917 [1,0,0,0,0,0|2,0,1]=4 1120 B16R0.303 CCCCCCCCCNCCOCCOC 2230a_100000745349_100011214924 [1,0,0,0,0,0|2,0,1]=4 1121 B16R0.303 CCCCCCCCCNCCOCCOC 34a_100000212291_100000695917 [1,0,0,0,0,0|2,0,1]=4 1122 B16R0.303 CCCCCCCCCNCCOCCOC 34a_100000745349_100011214924 [1,0,0,0,0,0|2,0,1]=4 1123 B16R0.303 CCCCCCCCCNCCSCCCC 2230a_100025743550_100011214924 [1,0,0,0,0,0|1,1,1]=4 1124 B16R0.303 CCCCCCCCCOCCCCCCC 34a_100000210272_100011214924 [1,0,0,0,0,0|2,0,1]=4 1125 B16R0.303 CCCCCCCCCOCCCCCCC 34a_100000210712_100000210614 [1,0,0,0,0,0|2,0,1]=4 1126 B16R0.303 CCCCCCCCCOCCCCCCC 7a_100000210272_100000210328 [1,0,0,0,0,0|2,0,1]=4 1127 B16R0.303 CCCCCCCCCOCCCCCCC 7a_100000210712_100000210614 [1,0,0,0,0,0|2,0,1]=4 1128 B16R0.303 CCCCCCCCCOCCOCCCC 34a_100000210238_100011214924 [1,0,0,0,0,0|1,0,1]=3 1129 B16R0.303 CCCCCCCCCOCCOCCCC 34a_100000210712_100000743108 [1,0,0,0,0,0|1,0,1]=3 1130 B16R0.303 CCCCCCCCCOCCOCCCC 7a_100000210238_100000210328 [1,0,0,0,0,0|1,0,1]=3 1131 B16R0.303 CCCCCCCCCOCCOCCCC 7a_100000210712_100000743108 [1,0,0,0,0,0|1,0,1]=3 1132 B16R0.303 CCCCCCCCCOCCOCCNC 34a_100000228057_100011214924 [1,0,0,0,0,0|2,0,1]=4 1133 B16R0.303 CCCCCCCCCOCCOCCOC 34a_100000210712_100000695917 [1,0,0,0,0,0|2,0,1]=4 1134 B16R0.303 CCCCCCCCCOCCOCCOC 34a_100011215163_100011214924 [1,0,0,0,0,0|2,0,1]=4 1135 B16R0.303 CCCCCCCCCOCCOCCOC 7a_100000210712_100000695917 [1,0,0,0,0,0|2,0,1]=4 1136 B16R0.303 CCCCCCCCCOCCOCCOC 7a_100011215163_100000210328 [1,0,0,0,0,0|2,0,1]=4 1137 B16R0.303 CCCCCCCCCOCCSCCCC 34a_200000230436_100011214924 [1,0,0,0,0,0|1,1,1]=4 1138 B16R0.303 CCCCCCCCCOCCSCCCC 7a_200000230436_100000210328 [1,0,0,0,0,0|1,1,1]=4 1139 B16R0.303 CCCCCCCCCSCCOCCCC 62a_100000743108_100000210670 [1,0,0,0,0,0|1,0,1]=3 1140 B16R0.303 CCCCCCCCCSCCOCCOC 62a_100000695917_100000210670 [1,0,0,0,0,0|2,0,1]=4 1141 B16R0.303 CCCCCCCCNCCCCCCCC 2230a_100000229939_100000210759 [1,0,0,0,0,0|2,0,1]=4 1142 B16R0.303 CCCCCCCCNCCCCCCCC 34a_100000229939_100000210759 [1,0,0,0,0,0|2,0,1]=4 1143 B16R0.303 CCCCCCCCNCCCOCCCC 2230a_200000211371_100000210759 [1,0,0,0,0,0|1,0,1]=3 1144 B16R0.303 CCCCCCCCNCCCOCCCC 34a_200000211371_100000210759 [1,0,0,0,0,0|1,0,1]=3 1145 B16R0.303 CCCCCCCCNCCCOCCCO 2230a_100011310245_100000210759 [1,0,0,0,0,0|2,0,1]=4 1146 B16R0.303 CCCCCCCCNCCCOCCCO 34a_100011310245_100000210759 [1,0,0,0,0,0|2,0,1]=4 1147 B16R0.303 CCCCCCCCNCCCOCCOC 2230a_100000206027_100000210759 [1,0,0,0,0,0|2,0,1]=4 1148 B16R0.303 CCCCCCCCNCCCOCCOC 2230a_100000229939_100011216529 [1,0,0,0,0,0|2,0,1]=4 1149 B16R0.303 CCCCCCCCNCCCOCCOC 34a_100000206027_100000210759 [1,0,0,0,0,0|2,0,1]=4 1150 B16R0.303 CCCCCCCCNCCCOCCOC 34a_100000229939_100011216529 [1,0,0,0,0,0|2,0,1]=4 1151 B16R0.303 CCCCCCCCOCCCCCCCC 34a_100000210232_100000210759 [1,0,0,0,0,0|2,0,1]=4 1152 B16R0.303 CCCCCCCCOCCCCCCCC 7a_100000210232_100000210759 [1,0,0,0,0,0|2,0,1]=4 1153 B16R0.303 CCCCCCCCOCCCOCCCC 34a_200011215613_100000210759 [1,0,0,0,0,0|1,0,1]=3 1154 B16R0.303 CCCCCCCCOCCCOCCCC 7a_200011215613_100000210759 [1,0,0,0,0,0|1,0,1]=3 1155 B16R0.303 CCCCCCCCOCCCOCCCN 34a_100011310245_100000210759 [1,0,0,0,0,0|2,0,1]=4 1156 B16R0.303 CCCCCCCCOCCCOCCOC 34a_100000210232_100011216529 [1,0,0,0,0,0|2,0,1]=4 1157 B16R0.303 CCCCCCCCOCCCOCCOC 7a_100000210232_100011216529 [1,0,0,0,0,0|2,0,1]=4 1158 B16R0.303 CCCCCCCCOCCNCCCCC 34a_100000224656_100000210759 [1,0,0,0,0,0|3,0,0]=4 1159 B16R0.303 CCCCCCCCOCCOCCCCC 34a_100011215259_100000210759 [1,0,0,0,0,0|3,0,0]=4 1160 B16R0.303 CCCCCCCCOCCOCCCCC 7a_100011215259_100000210759 [1,0,0,0,0,0|3,0,0]=4 1161 B16R0.303 CCCCCCCCSCCCOCCOC 62a_100000210759_100011216529 [1,0,0,0,0,0|2,0,1]=4 1162 B16R0.303 CCCCCCCCSCCCOCCOC 62a_100011216529_100000210317 [1,0,0,0,0,0|2,0,1]=4 1163 B16R0.303 CCCCCCCOCCCCNCCCC 34a_200011216965_100000210614 [1,0,0,0,0,0|2,0,1]=4 1164 B16R0.303 CCCCCCCOCCCCOCCCC 34a_200000760531_100000210614 [1,0,0,0,0,0|1,0,1]=3 1165 B16R0.303 CCCCCCCOCCCCOCCCC 7a_200000760531_100000210614 [1,0,0,0,0,0|1,0,1]=3 1166 B16R0.303 CCCCCCOCCOCCOCCCC 34a_100000032842_100000210210 [1,0,0,0,0,0|2,0,1]=4 1167 B16R0.303 CCCCCCOCCOCCOCCCC 34a_100000691444_100000743108 [1,0,0,0,0,0|2,0,1]=4 1168 B16R0.303 CCCCCCOCCOCCOCCCC 34a_100011215186_100000210314 [1,0,0,0,0,0|2,0,1]=4 1169 B16R0.303 CCCCCCOCCOCCOCCCC 7a_100000032842_100000210211 [1,0,0,0,0,0|2,0,1]=4 1170 B16R0.303 CCCCCCOCCOCCOCCCC 7a_100000691444_100000743108 [1,0,0,0,0,0|2,0,1]=4 1171 B16R0.303 CCCCCCOCCOCCOCCCC 7a_100011215186_100000210314 [1,0,0,0,0,0|2,0,1]=4 1172 B16R0.303 CCCCCNCCCCCCCCCCO 2230a_100000066964_100000210326 [1,0,0,0,0,0|3,0,0]=4 1173 B16R0.303 CCCCCNCCCCCCCCCCO 2230a_100000209983_100009813290 [1,0,0,0,0,0|3,0,0]=4 1174 B16R0.303 CCCCCNCCCCCCCCCCO 34a_100000066964_100000718602 [1,0,0,0,0,0|3,0,0]=4 1175 B16R0.303 CCCCCOCCCCCCCCCCBr 34a_100009813290_100000718602 [1,0,0,0,0,0|3,0,0]=4 1176 B16R0.303 CCCCCOCCCCCCCCCCBr 7a_100009813290_100000210326 [1,0,0,0,0,0|3,0,0]=4 1177 B16R0.303 CCCCCOCCCCCCCCCCCl 34a_200000033068_100000718602 [1,0,0,0,0,0|3,0,0]=4 1178 B16R0.303 CCCCCOCCCCCCCCCCCl 7a_200000033068_100000210326 [1,0,0,0,0,0|3,0,0]=4 1179 B16R0.303 CCCCCOCCCCCCCCCCN 34a_100000066964_100000718602 [1,0,0,0,0,0|3,0,0]=4 1180 B16R0.303 CCCCCOCCCCCCCCCCO 34a_100000210253_100009813290 [1,0,0,0,0,0|3,0,0]=4 1181 B16R0.303 CCCCCOCCCCCCCCCCO 7a_100000210253_100009813290 [1,0,0,0,0,0|3,0,0]=4 1182 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100000210326_200000033068 [1,0,0,0,0,0|3,0,0]=4 1183 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100009813290_100000210326 [1,0,0,0,0,0|3,0,0]=4 1184 B16R0.303 CCCCNCCCCCCCCCCCO 2230a_100000102301_100009812471 [1,0,0,0,0,0|2,0,1]=4 1185 B16R0.303 CCCCNCCCCCCCCCCCO 7a_106832991798_100009812471 [1,0,0,0,0,0|2,0,1]=4 1186 B16R0.303 CCCCNCCCCOCCOCCCC 34a_200011216965_100000743108 [1,0,0,0,0,0|2,0,1]=4 1187 B16R0.303 CCCCOCCCCCCCCCCCBr 34a_100009812471_100000210210 [1,0,0,0,0,0|1,0,1]=3 1188 B16R0.303 CCCCOCCCCCCCCCCCBr 7a_100009812471_100000210211 [1,0,0,0,0,0|1,0,1]=3 1189 B16R0.303 CCCCOCCCCCCCCCCCO 34a_100000210227_100009812471 [1,0,0,0,0,0|1,0,1]=3 1190 B16R0.303 CCCCOCCCCCCCCCCCO 7a_100000210227_100009812471 [1,0,0,0,0,0|1,0,1]=3 1191 B16R0.303 CCCCOCCCCCCCCCOCC 34a_100009875440_100000210210 [1,0,0,0,0,0|1,0,1]=3 1192 B16R0.303 CCCCOCCCCCCCCCOCC 7a_100009875440_100000210211 [1,0,0,0,0,0|1,0,1]=3 1193 B16R0.303 CCCCOCCCCOCCCCCCF 34a_200000760531_100015922095 [1,0,0,0,0,0|2,0,1]=4 1194 B16R0.303 CCCCOCCCCOCCCCCCF 7a_200000760531_100015922095 [1,0,0,0,0,0|2,0,1]=4 1195 B16R0.303 CCCCOCCCCOCCCCCCO 34a_200000760531_100000766143 [1,0,0,0,0,0|2,0,1]=4 1196 B16R0.303 CCCCOCCCCOCCCCCCO 7a_200000760531_100000766143 [1,0,0,0,0,0|2,0,1]=4 1197 B16R0.303 CCCCOCCCCOCCOCCCC 34a_200000760531_100000743108 [1,0,0,0,0,0|2,0,1]=4 1198 B16R0.303 CCCCOCCCCOCCOCCCC 7a_200000760531_100000743108 [1,0,0,0,0,0|2,0,1]=4 1199 B16R0.303 CCCCOCCCNCCCCCCCO 2230a_200000211371_100000760002 [1,0,0,0,0,0|2,0,1]=4 1200 B16R0.303 CCCCOCCCNCCCCCCCO 34a_200000211371_100000760002 [1,0,0,0,0,0|2,0,1]=4 1201 B16R0.303 CCCCOCCCNCCCCCCOC 2230a_200000211371_100011998445 [1,0,0,0,0,0|2,0,1]=4 1202 B16R0.303 CCCCOCCCNCCCCCCOC 34a_200000211371_100011998445 [1,0,0,0,0,0|2,0,1]=4 1203 B16R0.303 CCCCOCCCOCCCCCCCO 34a_200011215613_100000760002 [1,0,0,0,0,0|2,0,1]=4 1204 B16R0.303 CCCCOCCCOCCCCCCCO 7a_200011215613_100000760002 [1,0,0,0,0,0|2,0,1]=4 1205 B16R0.303 CCCCOCCCOCCCCCCOC 34a_200011215613_100011998445 [1,0,0,0,0,0|2,0,1]=4 1206 B16R0.303 CCCCOCCCOCCCCCCOC 7a_200011215613_100011998445 [1,0,0,0,0,0|2,0,1]=4 1207 B16R0.303 CCCCOCCNCCCCCCCCO 2230a_102515433106_100000743108 [1,0,0,0,0,0|2,0,1]=4 1208 B16R0.303 CCCCOCCNCCCCCCCCO 34a_102515433106_100000743108 [1,0,0,0,0,0|2,0,1]=4 1209 B16R0.303 CCCCOCCOCCCCCCCCBr 34a_100009813846_100000743108 [1,0,0,0,0,0|2,0,1]=4 1210 B16R0.303 CCCCOCCOCCCCCCCCBr 7a_100009813846_100000743108 [1,0,0,0,0,0|2,0,1]=4 1211 B16R0.303 CCCCOCCOCCCCCCCCCl 34a_100000033203_100000743108 [1,0,0,0,0,0|2,0,1]=4 1212 B16R0.303 CCCCOCCOCCCCCCCCCl 7a_100000033203_100000743108 [1,0,0,0,0,0|2,0,1]=4 1213 B16R0.303 CCCCOCCOCCCCCCCCN 34a_102515433106_100000743108 [1,0,0,0,0,0|2,0,1]=4 1214 B16R0.303 CCCCOCCOCCCCCCCCO 34a_100000210238_100000033203 [1,0,0,0,0,0|2,0,1]=4 1215 B16R0.303 CCCCOCCOCCCCCCCCO 7a_100000210238_100000033203 [1,0,0,0,0,0|2,0,1]=4 1216 B16R0.303 CCCCOCCSCCCCCCCCO 62a_100000033203_100000743108 [1,0,0,0,0,0|2,0,1]=4 1217 B16R0.303 CCCCOCCSCCCCCCCCO 62a_100000743108_100000033203 [1,0,0,0,0,0|2,0,1]=4 1218 B16R0.303 CCCCOCNCCCCCCCCCO 2230a_100000078944_100011995733 [1,0,0,0,0,0|2,0,1]=4 1219 B16R0.303 CCCCOCNCCCCCCCCCO 34a_100000078944_100011995733 [1,0,0,0,0,0|2,0,1]=4 1220 B16R0.303 CCCCOCOCCCCCCCCCBr 34a_100009813782_100011995733 [1,0,0,0,0,0|2,0,1]=4 1221 B16R0.303 CCCCOCOCCCCCCCCCCl 34a_100009868337_100011995733 [1,0,0,0,0,0|2,0,1]=4 1222 B16R0.303 CCCCOCOCCCCCCCCCN 34a_100000078944_100011995733 [1,0,0,0,0,0|2,0,1]=4 1223 B16R0.303 CCCCOCSCCCCCCCCCO 62a_100009813782_100011995733 [1,0,0,0,0,0|2,0,1]=4 1224 B16R0.303 CCCCOCSCCCCCCCCCO 62a_100011995733_100009813782 [1,0,0,0,0,0|2,0,1]=4 1225 B16R0.303 CCCCSCCCCCCCCCCCO 62a_100009812471_100000210210 [1,0,0,0,0,0|1,1,1]=4 1226 B16R0.303 CCOCCCCCCCCCOCCCF 34a_100009875440_100011934791 [1,0,0,0,0,0|2,0,1]=4 1227 B16R0.303 CCOCCCCCCCCCOCCCF 7a_100009875440_100011934791 [1,0,0,0,0,0|2,0,1]=4 1228 B16R0.303 CCOCCCCCCCCCOCCCO 34a_100009875440_100000230001 [1,0,0,0,0,0|2,0,1]=4 1229 B16R0.303 CCOCCCCCCCCCOCCCO 7a_100009875440_100011215043 [1,0,0,0,0,0|2,0,1]=4 1230 B16R0.303 CCOCCCCCCCCCOCCOC 34a_100009875440_100011201679 [1,0,0,0,0,0|2,0,1]=4 1231 B16R0.303 CCOCCCCCCCCCOCCOC 7a_100009875440_100000233755 [1,0,0,0,0,0|2,0,1]=4 1232 B16R0.303 CCOCCCCCCCCCOCCSC 34a_100009875440_100000212216 [1,0,0,0,0,0|2,0,1]=4 1233 B16R0.303 CCOCCCCCCCCCOCCSC 7a_100009875440_100000212216 [1,0,0,0,0,0|2,0,1]=4 1234 B16R0.303 COCCOCCCCCCCCCCCBr 34a_100009812471_100011201679 [1,0,0,0,0,0|2,0,1]=4 1235 B16R0.303 COCCOCCCCCCCCCCCBr 7a_100009812471_100000233755 [1,0,0,0,0,0|2,0,1]=4 1236 B16R0.303 COCCOCCCCCCCCCCCO 34a_100000210237_100009812471 [1,0,0,0,0,0|2,0,1]=4 1237 B16R0.303 CSCCOCCCCCCCCCCCBr 34a_100009812471_100000212216 [1,0,0,0,0,0|2,0,1]=4 1238 B16R0.303 CSCCOCCCCCCCCCCCBr 7a_100009812471_100000212216 [1,0,0,0,0,0|2,0,1]=4 1239 B16R0.303 CSCCOCCCCCCCCCCCO 34a_100000230434_100009812471 [1,0,0,0,0,0|2,0,1]=4 1240 B16R0.303 CSCCOCCCCCCCCCCCO 7a_100000230434_100009812471 [1,0,0,0,0,0|2,0,1]=4 1241 B16R0.303 FCCCOCCCCCCCCCCCBr 34a_100009812471_100011934791 [1,0,0,0,0,0|2,0,1]=4 1242 B16R0.303 FCCCOCCCCCCCCCCCBr 7a_100009812471_100011934791 [1,0,0,0,0,0|2,0,1]=4 1243 B16R0.303 NCCCOCCCCCCCCCCCO 34a_100000182051_100009812471 [1,0,0,0,0,0|2,0,1]=4 1244 B16R0.303 OCCCCCCCCCCCOCCCBr 34a_100011217188_100009812471 [1,0,0,0,0,0|2,0,1]=4 1245 B16R0.303 OCCCCCCCCCCCOCCCCl 34a_100000230001_100009812471 [1,0,0,0,0,0|2,0,1]=4 1246 B16R0.303 OCCCCCCCCCCCOCCCF 34a_100000759539_100009812471 [1,0,0,0,0,0|2,0,1]=4 1247 B16R0.303 OCCCOCCCCCCCCCCCBr 34a_100009812471_100000230001 [1,0,0,0,0,0|2,0,1]=4 1248 B16R0.303 OCCCOCCCCCCCCCCCBr 7a_100009812471_100011215043 [1,0,0,0,0,0|2,0,1]=4 1249 B16R0.661 C#CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000753159 [1,0,0,0,0,0|0,0,2]=3 1250 B16R0.661 C#CCCC(=O)CCCCCCCCCCC 1458a_100000692101_100011215454 [1,0,0,0,0,0|0,0,2]=3 1251 B16R0.661 C#CCCC(=O)CCCCCCCCCCO 1458a_100000692101_100009813290 [1,0,0,0,0,0|1,0,2]=4 1252 B16R0.661 C#CCCC(=O)CCOCCCCCCCC 34a_100011064465_100000210759 [1,0,0,0,0,0|1,0,2]=4 1253 B16R0.661 C#CCCC(=O)CCOCCCCCCCC 7a_100011064465_100000210759 [1,0,0,0,0,0|1,0,2]=4 1254 B16R0.661 C#CCCC(=O)NCCCCCCCCCC 11a_100000684558_100000692101 [1,0,0,0,0,0|1,0,2]=4 1255 B16R0.661 C#CCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000692101 [1,0,0,0,0,0|1,0,2]=4 1256 B16R0.661 C#CCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000692101 [1,0,0,0,0,0|1,0,2]=4 1257 B16R0.661 C#CCCC(=O)NCCCCCCCCCC 527a_100000684558_100000692101 [1,0,0,0,0,0|1,0,2]=4 1258 B16R0.661 C#CCCCCCCCOCC(=O)OCCC 34a_100000054614_200011215008 [1,0,0,0,0,0|1,0,2]=4 1259 B16R0.661 C#CCCCCCCCOCC(=O)OCCC 7a_100000054614_200011215008 [1,0,0,0,0,0|1,0,2]=4 1260 B16R0.661 C#CCCCCCCCSCC(=O)OCCC 62a_100153394163_200011215008 [1,0,0,0,0,0|1,0,2]=4 1261 B16R0.661 C#CCCCCCCCSCC(=O)OCCC 62a_200011215008_100153394163 [1,0,0,0,0,0|1,0,2]=4 1262 B16R0.661 C#CCNC(=O)CCCCCCCCCCC 11a_100000212058_100000210736 [1,0,0,0,0,0|1,0,2]=4 1263 B16R0.661 C#CCNC(=O)CCCCCCCCCCC 1626a_100000212058_100000210736 [1,0,0,0,0,0|1,0,2]=4 1264 B16R0.661 C#CCNC(=O)CCCCCCCCCCC 240690a_100000212058_100000210736 [1,0,0,0,0,0|1,0,2]=4 1265 B16R0.661 C/C=C/CC(=O)CCCCCCCCCCC 1458a_100000210736_100102629194 [1,0,0,0,0,0|0,0,2]=3 1266 B16R0.661 C=C(CNCCCCCCCCC)OCOC 34a_100000212291_100000042856 [1,0,0,0,0,0|3,0,0]=4 1267 B16R0.661 C=C(COCCCCCCCCC)OCOC 34a_100000210712_100000042856 [1,0,0,0,0,0|3,0,0]=4 1268 B16R0.661 C=C(CSCCCCCCCCC)OCOC 62a_100000042856_100000210670 [1,0,0,0,0,0|3,0,0]=4 1269 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000754431 [1,0,0,0,0,0|0,0,2]=3 1270 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000749702_100011215454 [1,0,0,0,0,0|0,0,2]=3 1271 B16R0.661 C=CCCC(=O)CCCCCCCCCCO 1458a_100000749702_100009813290 [1,0,0,0,0,0|1,0,2]=4 1272 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 11a_100000684558_100000749702 [1,0,0,0,0,0|1,0,2]=4 1273 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000749702 [1,0,0,0,0,0|1,0,2]=4 1274 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000749702 [1,0,0,0,0,0|1,0,2]=4 1275 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 527a_100000684558_100000749702 [1,0,0,0,0,0|1,0,2]=4 1276 B16R0.661 C=CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100009814027 [1,0,0,0,0,0|0,0,2]=3 1277 B16R0.661 C=CCCCCCCCCCC(=O)CCOC 1458a_100000749529_100009814027 [1,0,0,0,0,0|1,0,2]=4 1278 B16R0.661 C=CCCCCCCCCCC(=O)CCSC 1458a_100000174002_100009814027 [1,0,0,0,0,0|1,0,2]=4 1279 B16R0.661 C=CCCCCCCCCCC(=O)COCC 1458a_100000211967_100009814027 [1,0,0,0,0,0|1,0,2]=4 1280 B16R0.661 C=CCCCCCCCCCC(=O)CSCC 1458a_100000230394_100009814027 [1,0,0,0,0,0|1,0,2]=4 1281 B16R0.661 C=CCCCCCCCOCC(=O)OCCC 34a_100000730831_200011215008 [1,0,0,0,0,0|1,0,2]=4 1282 B16R0.661 C=CCCCCCCCOCC(=O)OCCC 7a_100000730831_200011215008 [1,0,0,0,0,0|1,0,2]=4 1283 B16R0.661 C=CCCCCCCCSCC(=O)OCCC 62a_100012355270_200011215008 [1,0,0,0,0,0|1,0,2]=4 1284 B16R0.661 C=CCCCCCCCSCC(=O)OCCC 62a_200011215008_100012355270 [1,0,0,0,0,0|1,0,2]=4 1285 B16R0.661 C=CCNC(=O)CCCCCCCCCCC 1626a_100020586998_100000210736 [1,0,0,0,0,0|1,0,2]=4 1286 B16R0.661 C=CCNC(=O)CCCCCCCCCCC 240690a_100020586998_100000210736 [1,0,0,0,0,0|1,0,2]=4 1287 B16R0.661 C=CCOC(=O)CNCCCCCCCCC 2230a_100000212291_100000033060 [1,0,0,0,0,0|1,0,2]=4 1288 B16R0.661 C=CCOC(=O)CNCCCCCCCCC 34a_100000212291_100000033060 [1,0,0,0,0,0|1,0,2]=4 1289 B16R0.661 C=CCOC(=O)COCCCCCCCCC 34a_100000210712_100000033060 [1,0,0,0,0,0|1,0,2]=4 1290 B16R0.661 C=CCOC(=O)COCCCCCCCCC 7a_100000210712_100000033060 [1,0,0,0,0,0|1,0,2]=4 1291 B16R0.661 C=CCOC(=O)CSCCCCCCCCC 62a_100000033060_100000210670 [1,0,0,0,0,0|1,0,2]=4 1292 B16R0.661 CC#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000748600 [1,0,0,0,0,0|0,0,2]=3 1293 B16R0.661 CC/C=C\CCCCCOCC(=O)OCCC 34a_100016268722_200011215008 [1,0,0,0,0,0|1,0,2]=4 1294 B16R0.661 CC/C=C\CCCCCOCC(=O)OCCC 7a_100016268722_200011215008 [1,0,0,0,0,0|1,0,2]=4 1295 B16R0.661 CC=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000070051 [1,0,0,0,0,0|0,0,2]=3 1296 B16R0.661 CC=CCC(=O)CCCCCCCCCCC 1458a_100121576822_100011215454 [1,0,0,0,0,0|0,0,2]=3 1297 B16R0.661 CC=CCC(=O)CCCCCCCCCCO 1458a_100121576822_100009813290 [1,0,0,0,0,0|1,0,2]=4 1298 B16R0.661 CC=CCC(=O)NCCCCCCCCCC 11a_100000684558_100121576822 [1,0,0,0,0,0|1,0,2]=4 1299 B16R0.661 CC=CCC(=O)NCCCCCCCCCC 1626a_100000684558_100121576822 [1,0,0,0,0,0|1,0,2]=4 1300 B16R0.661 CC=CCC(=O)NCCCCCCCCCC 240690a_100000684558_100121576822 [1,0,0,0,0,0|1,0,2]=4 1301 B16R0.661 CC=CCC(=O)NCCCCCCCCCC 527a_100000684558_100121576822 [1,0,0,0,0,0|1,0,2]=4 1302 B16R0.661 CC=NNC(=O)CCCCCCCCCCC 4a_200011219152_200000210099 [1,0,0,0,0,0|2,0,1]=4 1303 B16R0.661 CCC#CC(=O)CCCCCCCCCCC 1458a_100011827653_100011215454 [1,0,0,0,0,0|0,0,2]=3 1304 B16R0.661 CCC#CC(=O)CCCCCCCCCCO 1458a_100011827653_100009813290 [1,0,0,0,0,0|1,0,2]=4 1305 B16R0.661 CCC=CC(=O)CCCCCCCCCCC 1458a_100000212282_100011215454 [1,0,0,0,0,0|0,0,2]=3 1306 B16R0.661 CCC=CC(=O)CCCCCCCCCCO 1458a_100000212282_100009813290 [1,0,0,0,0,0|1,0,2]=4 1307 B16R0.661 CCC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000212282 [1,0,0,0,0,0|1,0,2]=4 1308 B16R0.661 CCC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000212282 [1,0,0,0,0,0|1,0,2]=4 1309 B16R0.661 CCC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000212282 [1,0,0,0,0,0|1,0,2]=4 1310 B16R0.661 CCCCC#CCCCSCC(=O)OCCC 62a_200000047210_200011215008 [1,0,0,0,0,0|1,0,2]=4 1311 B16R0.661 CCCCC#CCCCSCC(=O)OCCC 62a_200011215008_200000047210 [1,0,0,0,0,0|1,0,2]=4 1312 B16R0.661 CCCCC(=O)CCCCCCCCCCO 1458a_100000210183_100009813290 [1,0,0,0,0,0|1,0,0]=2 1313 B16R0.661 CCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210183 [1,0,0,0,0,0|2,0,0]=3 1314 B16R0.661 CCCCC/C=C\CCOCC(=O)OCCC 34a_100016277358_200011215008 [1,0,0,0,0,0|1,0,2]=4 1315 B16R0.661 CCCCC/C=C\CCOCC(=O)OCCC 7a_100016277358_200011215008 [1,0,0,0,0,0|1,0,2]=4 1316 B16R0.661 CCCCCC#CCCOCC(=O)OCCC 34a_200000042877_200011215008 [1,0,0,0,0,0|1,0,2]=4 1317 B16R0.661 CCCCCC#CCCOCC(=O)OCCC 7a_200000042877_200011215008 [1,0,0,0,0,0|1,0,2]=4 1318 B16R0.661 CCCCCC/C=C/COCC(=O)OCCC 34a_200016276170_200011215008 [1,0,0,0,0,0|1,0,2]=4 1319 B16R0.661 CCCCCC/C=C/COCC(=O)OCCC 7a_200016276170_200011215008 [1,0,0,0,0,0|1,0,2]=4 1320 B16R0.661 CCCCCCC#CCOCC(=O)OCCC 34a_200000037284_200011215008 [1,0,0,0,0,0|1,0,2]=4 1321 B16R0.661 CCCCCCC#CCOCC(=O)OCCC 7a_200000037284_200011215008 [1,0,0,0,0,0|1,0,2]=4 1322 B16R0.661 CCCCCCCCC=NNC(=O)CCCC 4a_100000189769_100011218696 [1,0,0,0,0,0|2,0,1]=4 1323 B16R0.661 CCCCCCCCCC=CC(=O)CCCC 1458a_200015352897_100000210211 [1,0,0,0,0,0|0,0,2]=3 1324 B16R0.661 CCCCCCCCCC=CC(=O)CCCF 1458a_200015352897_100011934791 [1,0,0,0,0,0|1,0,2]=4 1325 B16R0.661 CCCCCCCCCC=CC(=O)CCCO 1458a_200015352897_100011215043 [1,0,0,0,0,0|1,0,2]=4 1326 B16R0.661 CCCCCCCCCC=CC(=O)CCOC 1458a_200015352897_100000233755 [1,0,0,0,0,0|1,0,2]=4 1327 B16R0.661 CCCCCCCCCC=CC(=O)CCSC 1458a_200015352897_100000751147 [1,0,0,0,0,0|1,0,2]=4 1328 B16R0.661 CCCCCCCCCC=CC(=O)NCCC 11a_100020643023_200015352897 [1,0,0,0,0,0|1,0,2]=4 1329 B16R0.661 CCCCCCCCCC=CC(=O)NCCC 1626a_100020643023_200015352897 [1,0,0,0,0,0|1,0,2]=4 1330 B16R0.661 CCCCCCCCCC=CC(=O)NCCC 240690a_100020643023_200015352897 [1,0,0,0,0,0|1,0,2]=4 1331 B16R0.661 CCCCCCCCCCCC(=NNCC)C 4a_100000756455_100011216755 [1,0,0,0,0,0|3,0,0]=4 1332 B16R0.661 CCCCCCCCCCCC(=O)C#CCO 1458a_100000049017_100011215454 [1,0,0,0,0,0|1,0,2]=4 1333 B16R0.661 CCCCCCCCCCCC(=O)C=COC 1458a_100016268678_100011215454 [1,0,0,0,0,0|1,0,2]=4 1334 B16R0.661 CCCCCCCCCCCC(=O)CCC#N 1458a_100000210736_100011215226 [1,0,0,0,0,0|1,0,1]=3 1335 B16R0.661 CCCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100011215454 [1,0,0,0,0,0|1,0,1]=3 1336 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210183_100011215454 [1,0,0,0,0,0|0,0,0]=1 1337 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210736_100000210211 [1,0,0,0,0,0|0,0,0]=1 1338 B16R0.661 CCCCCCCCCCCC(=O)CCCF 1458a_100000210736_100011934791 [1,0,0,0,0,0|1,0,0]=2 1339 B16R0.661 CCCCCCCCCCCC(=O)CCCO 1458a_100000210736_100011215043 [1,0,0,0,0,0|1,0,0]=2 1340 B16R0.661 CCCCCCCCCCCC(=O)CCOC 1458a_100000210736_100000233755 [1,0,0,0,0,0|1,0,0]=2 1341 B16R0.661 CCCCCCCCCCCC(=O)CCOC 1458a_100000749529_100011215454 [1,0,0,0,0,0|1,0,0]=2 1342 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100011215454 [1,0,0,0,0,0|1,0,0]=2 1343 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000210736_100000751147 [1,0,0,0,0,0|1,0,0]=2 1344 B16R0.661 CCCCCCCCCCCC(=O)COCC 1458a_100000211967_100011215454 [1,0,0,0,0,0|1,0,0]=2 1345 B16R0.661 CCCCCCCCCCCC(=O)CSCC 1458a_100000230394_100011215454 [1,0,0,0,0,0|1,0,0]=2 1346 B16R0.661 CCCCCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210736 [1,0,0,0,0,0|2,0,1]=4 1347 B16R0.661 CCCCCCCCCCCC(=O)NCCC 11a_100020643023_100000210736 [1,0,0,0,0,0|1,0,0]=2 1348 B16R0.661 CCCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210736 [1,0,0,0,0,0|1,0,0]=2 1349 B16R0.661 CCCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210736 [1,0,0,0,0,0|1,0,0]=2 1350 B16R0.661 CCCCCCCCCCCC(=O)NCCF 11a_100000724931_100000210736 [1,0,0,0,0,0|2,0,0]=3 1351 B16R0.661 CCCCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210736 [1,0,0,0,0,0|2,0,0]=3 1352 B16R0.661 CCCCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210736 [1,0,0,0,0,0|2,0,0]=3 1353 B16R0.661 CCCCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210736 [1,0,0,0,0,0|2,0,0]=3 1354 B16R0.661 CCCCCCCCCCCC(=O)NNCC 22a_100000756455_100000210736 [1,0,0,0,0,0|2,0,0]=3 1355 B16R0.661 CCCCCCCCCCCC(=O)OCNC 2230a_106832991635_100020644155 [1,0,0,0,0,0|1,0,0]=2 1356 B16R0.661 CCCCCCCCCCCC(=O)OCNC 34a_100102657272_100020644155 [1,0,0,0,0,0|1,0,0]=2 1357 B16R0.661 CCCCCCCCCCCC(=O)OCNC 7a_106832991635_100020644155 [1,0,0,0,0,0|1,0,0]=2 1358 B16R0.661 CCCCCCCCCCCC(=O)OCOC 34a_100138415774_100020644155 [1,0,0,0,0,0|1,0,0]=2 1359 B16R0.661 CCCCCCCCCCCC(=O)OCSC 62a_200000210301_100020644155 [1,0,0,0,0,0|1,0,0]=2 1360 B16R0.661 CCCCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100020644155 [1,0,0,0,0,0|1,0,0]=2 1361 B16R0.661 CCCCCCCCCCCC(C)NCCC 270004a_100020643023_100011216755 [1,0,0,0,0,0|2,0,1]=4 1362 B16R0.661 CCCCCCCCCCCC(C)OCCC 34a_100011217895_100000210303 [1,0,0,0,0,0|1,0,1]=3 1363 B16R0.661 CCCCCCCCCCCC(C)OCCC 7a_100011217895_100000210303 [1,0,0,0,0,0|1,0,1]=3 1364 B16R0.661 CCCCCCCCCCCC(C)OCCF 34a_100011217895_100011217306 [1,0,0,0,0,0|2,0,1]=4 1365 B16R0.661 CCCCCCCCCCCC(C)OCCF 7a_100011217895_100011217306 [1,0,0,0,0,0|2,0,1]=4 1366 B16R0.661 CCCCCCCCCCCC(C)OCCO 34a_100011217895_100000211926 [1,0,0,0,0,0|2,0,1]=4 1367 B16R0.661 CCCCCCCCCCCC(C)OCCO 7a_100011217895_100000211926 [1,0,0,0,0,0|2,0,1]=4 1368 B16R0.661 CCCCCCCCCCCC(C)OCSC 34a_100011217895_100011218213 [1,0,0,0,0,0|2,0,1]=4 1369 B16R0.661 CCCCCCCCCCCN(C)CCCC 2230a_100000207549_100011215454 [1,0,0,0,0,0|2,0,0]=3 1370 B16R0.661 CCCCCCCCCCCN(C)CCCC 269982a_100000207549_100011215454 [1,0,0,0,0,0|2,0,0]=3 1371 B16R0.661 CCCCCCCCCCCN(C)CCCO 2230a_100000213112_100011215454 [1,0,0,0,0,0|3,0,0]=4 1372 B16R0.661 CCCCCCCCCCCN(C)CCCO 269982a_100000213112_100011215454 [1,0,0,0,0,0|3,0,0]=4 1373 B16R0.661 CCCCCCCCCCCN(C)CCOC 2230a_100000743101_100011215454 [1,0,0,0,0,0|3,0,0]=4 1374 B16R0.661 CCCCCCCCCCCN(C)CCOC 269982a_100000743101_100011215454 [1,0,0,0,0,0|3,0,0]=4 1375 B16R0.661 CCCCCCCCCCCN(C)CCSC 2230a_100000686725_100011215454 [1,0,0,0,0,0|3,0,0]=4 1376 B16R0.661 CCCCCCCCCCCN(C)CCSC 269982a_100000686725_100011215454 [1,0,0,0,0,0|3,0,0]=4 1377 B16R0.661 CCCCCCCCCCNC(=O)CCC#N 11a_100000684558_100011934036 [1,0,0,0,0,0|2,0,1]=4 1378 B16R0.661 CCCCCCCCCCNC(=O)CCC#N 1626a_100000684558_100011934036 [1,0,0,0,0,0|2,0,1]=4 1379 B16R0.661 CCCCCCCCCCNC(=O)CCC#N 240690a_100000684558_100011934036 [1,0,0,0,0,0|2,0,1]=4 1380 B16R0.661 CCCCCCCCCCNC(=O)CCC#N 527a_100000684558_100011934036 [1,0,0,0,0,0|2,0,1]=4 1381 B16R0.661 CCCCCCCCCCNC(=O)CCCC 11a_100000684558_100000210183 [1,0,0,0,0,0|1,0,0]=2 1382 B16R0.661 CCCCCCCCCCNC(=O)CCCC 1626a_100000684558_100000210183 [1,0,0,0,0,0|1,0,0]=2 1383 B16R0.661 CCCCCCCCCCNC(=O)CCCC 240690a_100000684558_100000210183 [1,0,0,0,0,0|1,0,0]=2 1384 B16R0.661 CCCCCCCCCCNC(=O)CCCC 527a_100000684558_100000210183 [1,0,0,0,0,0|1,0,0]=2 1385 B16R0.661 CCCCCCCCCCNC(=O)CCOC 11a_100000684558_100000749529 [1,0,0,0,0,0|2,0,0]=3 1386 B16R0.661 CCCCCCCCCCNC(=O)CCOC 1626a_100000684558_100000749529 [1,0,0,0,0,0|2,0,0]=3 1387 B16R0.661 CCCCCCCCCCNC(=O)CCOC 240690a_100000684558_100000749529 [1,0,0,0,0,0|2,0,0]=3 1388 B16R0.661 CCCCCCCCCCNC(=O)CCOC 527a_100000684558_100000749529 [1,0,0,0,0,0|2,0,0]=3 1389 B16R0.661 CCCCCCCCCCNC(=O)CCSC 11a_100000684558_100000174002 [1,0,0,0,0,0|2,0,0]=3 1390 B16R0.661 CCCCCCCCCCNC(=O)CCSC 1626a_100000684558_100000174002 [1,0,0,0,0,0|2,0,0]=3 1391 B16R0.661 CCCCCCCCCCNC(=O)CCSC 240690a_100000684558_100000174002 [1,0,0,0,0,0|2,0,0]=3 1392 B16R0.661 CCCCCCCCCCNC(=O)CCSC 527a_100000684558_100000174002 [1,0,0,0,0,0|2,0,0]=3 1393 B16R0.661 CCCCCCCCCCNC(=O)COCC 11a_100000684558_100000211967 [1,0,0,0,0,0|2,0,0]=3 1394 B16R0.661 CCCCCCCCCCNC(=O)COCC 1626a_100000684558_100000211967 [1,0,0,0,0,0|2,0,0]=3 1395 B16R0.661 CCCCCCCCCCNC(=O)COCC 240690a_100000684558_100000211967 [1,0,0,0,0,0|2,0,0]=3 1396 B16R0.661 CCCCCCCCCCNC(=O)COCC 527a_100000684558_100000211967 [1,0,0,0,0,0|2,0,0]=3 1397 B16R0.661 CCCCCCCCCCNC(=O)CSCC 11a_100000684558_100000230394 [1,0,0,0,0,0|2,0,0]=3 1398 B16R0.661 CCCCCCCCCCNC(=O)CSCC 1626a_100000684558_100000230394 [1,0,0,0,0,0|2,0,0]=3 1399 B16R0.661 CCCCCCCCCCNC(=O)CSCC 240690a_100000684558_100000230394 [1,0,0,0,0,0|2,0,0]=3 1400 B16R0.661 CCCCCCCCCCNC(=O)CSCC 527a_100000684558_100000230394 [1,0,0,0,0,0|2,0,0]=3 1401 B16R0.661 CCCCCCCCCCNC(=O)NCCC 2708a_100000684558_100020643023 [1,0,0,0,0,0|2,0,0]=3 1402 B16R0.661 CCCCCCCCCCNC(=O)NCCC 2708a_100020643023_100000684558 [1,0,0,0,0,0|2,0,0]=3 1403 B16R0.661 CCCCCCCCCCNC(=O)NCCC 273464a_100000684558_100020643023 [1,0,0,0,0,0|2,0,0]=3 1404 B16R0.661 CCCCCCCCCCNC(=O)NCCC 273464a_100020643023_100000684558 [1,0,0,0,0,0|2,0,0]=3 1405 B16R0.661 CCCCCCCCCCNC(=O)NCCC 512a_100000684558_100020643023 [1,0,0,0,0,0|2,0,0]=3 1406 B16R0.661 CCCCCCCCCCNC(=O)NCCC 512a_100020643023_100000684558 [1,0,0,0,0,0|2,0,0]=3 1407 B16R0.661 CCCCCCCCCCNC(=O)NCCF 2708a_100000684558_100000724931 [1,0,0,0,0,0|3,0,0]=4 1408 B16R0.661 CCCCCCCCCCNC(=O)NCCF 273464a_100000684558_100000724931 [1,0,0,0,0,0|3,0,0]=4 1409 B16R0.661 CCCCCCCCCCNC(=O)NCCF 273464a_100000724931_100000684558 [1,0,0,0,0,0|3,0,0]=4 1410 B16R0.661 CCCCCCCCCCNC(=O)NCCF 512a_100000684558_100000724931 [1,0,0,0,0,0|3,0,0]=4 1411 B16R0.661 CCCCCCCCCCNC(=O)NCCO 2708a_100000684558_100000210304 [1,0,0,0,0,0|3,0,0]=4 1412 B16R0.661 CCCCCCCCCCNC(=O)NCCO 273464a_100000210304_100000684558 [1,0,0,0,0,0|3,0,0]=4 1413 B16R0.661 CCCCCCCCCCNC(=O)NCCO 273464a_100000684558_100000210304 [1,0,0,0,0,0|3,0,0]=4 1414 B16R0.661 CCCCCCCCCCNC(=O)NCCO 512a_100000684558_100000210304 [1,0,0,0,0,0|3,0,0]=4 1415 B16R0.661 CCCCCCCCCCNC(=O)NNCC 273464a_100000684558_100000756455 [1,0,0,0,0,0|3,0,0]=4 1416 B16R0.661 CCCCCCCCCCNC(=O)NNCC 512a_100000684558_100000756455 [1,0,0,0,0,0|3,0,0]=4 1417 B16R0.661 CCCCCCCCCCNC(=O)NNCC 512a_100000756455_100000684558 [1,0,0,0,0,0|3,0,0]=4 1418 B16R0.661 CCCCCCCCCCNC(C)CCCC 2230a_100000126638_100000210320 [1,0,0,0,0,0|2,0,1]=4 1419 B16R0.661 CCCCCCCCCCNC(C)CCCC 2230a_100000684558_200011215066 [1,0,0,0,0,0|2,0,1]=4 1420 B16R0.661 CCCCCCCCCCNC(C)CCCC 270004a_100000684558_100000210087 [1,0,0,0,0,0|2,0,1]=4 1421 B16R0.661 CCCCCCCCCCNC(C)CCCC 34a_100000684558_200011215066 [1,0,0,0,0,0|2,0,1]=4 1422 B16R0.661 CCCCCCCCCCOC(=O)CNCC 2230a_100015525214_100000210668 [1,0,0,0,0,0|2,0,0]=3 1423 B16R0.661 CCCCCCCCCCOC(=O)COCC 34a_100121572206_100000210668 [1,0,0,0,0,0|2,0,0]=3 1424 B16R0.661 CCCCCCCCCCOC(=O)CSCC 62a_100000210202_100000680656 [1,0,0,0,0,0|2,0,0]=3 1425 B16R0.661 CCCCCCCCCCOC(=O)CSCC 62a_100000680656_100000210202 [1,0,0,0,0,0|2,0,0]=3 1426 B16R0.661 CCCCCCCCCCOC(=O)CSCF 62a_100000680656_100015361967 [1,0,0,0,0,0|3,0,0]=4 1427 B16R0.661 CCCCCCCCCCOC(=O)CSCF 62a_100015361967_100000680656 [1,0,0,0,0,0|3,0,0]=4 1428 B16R0.661 CCCCCCCCCCOC(C)CCCC 34a_100000210711_200011215066 [1,0,0,0,0,0|2,0,1]=4 1429 B16R0.661 CCCCCCCCCCOC(C)CCCC 34a_100000687866_100000210320 [1,0,0,0,0,0|2,0,1]=4 1430 B16R0.661 CCCCCCCCCCOC(C)CCCC 7a_100000210711_200011215066 [1,0,0,0,0,0|2,0,1]=4 1431 B16R0.661 CCCCCCCCCCOC(C)CCCC 7a_100000687866_100000210320 [1,0,0,0,0,0|2,0,1]=4 1432 B16R0.661 CCCCCCCCCNCC(=O)NCCC 2230a_100000174927_100011214924 [1,0,0,0,0,0|2,0,0]=3 1433 B16R0.661 CCCCCCCCCNCC(=O)NCCC 2230a_100000212291_100000183358 [1,0,0,0,0,0|2,0,0]=3 1434 B16R0.661 CCCCCCCCCNCC(=O)NCCC 34a_100000212291_100000183358 [1,0,0,0,0,0|2,0,0]=3 1435 B16R0.661 CCCCCCCCCNCC(=O)NCCF 2230a_100000725713_100011214924 [1,0,0,0,0,0|3,0,0]=4 1436 B16R0.661 CCCCCCCCCNCC(=O)OCCC 2230a_100000212291_200011215008 [1,0,0,0,0,0|1,0,0]=2 1437 B16R0.661 CCCCCCCCCNCC(=O)OCCC 34a_100000212291_200011215008 [1,0,0,0,0,0|1,0,0]=2 1438 B16R0.661 CCCCCCCCCNCC(C)OCCC 2230a_100015185124_100011214924 [1,0,0,0,0,0|2,0,1]=4 1439 B16R0.661 CCCCCCCCCNCC(C)OCCC 34a_100015185124_100011214924 [1,0,0,0,0,0|2,0,1]=4 1440 B16R0.661 CCCCCCCCCOCC(=O)NCCC 34a_100000210712_100000183358 [1,0,0,0,0,0|2,0,0]=3 1441 B16R0.661 CCCCCCCCCOCC(=O)NCCC 7a_100000210712_100000183358 [1,0,0,0,0,0|2,0,0]=3 1442 B16R0.661 CCCCCCCCCOCC(=O)OCCC 34a_100000210712_200011215008 [1,0,0,0,0,0|1,0,0]=2 1443 B16R0.661 CCCCCCCCCOCC(=O)OCCC 7a_100000210712_200011215008 [1,0,0,0,0,0|1,0,0]=2 1444 B16R0.661 CCCCCCCCCOCC(C)CCCC 34a_100011995851_100011214924 [1,0,0,0,0,0|2,0,1]=4 1445 B16R0.661 CCCCCCCCCOCC(C)CCCC 7a_100011995851_100000210328 [1,0,0,0,0,0|2,0,1]=4 1446 B16R0.661 CCCCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100011214924 [1,0,0,0,0,0|2,0,1]=4 1447 B16R0.661 CCCCCCCCCSCC(=O)NCCC 62a_100000183358_100000210670 [1,0,0,0,0,0|2,0,0]=3 1448 B16R0.661 CCCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210670 [1,0,0,0,0,0|1,0,0]=2 1449 B16R0.661 CCCCCCCCNCOC(=O)OCCC 34a_100000229939_200000139673 [1,0,0,0,0,0|2,0,0]=3 1450 B16R0.661 CCCCCCCCOCOC(=O)OCCC 34a_100000210232_200000139673 [1,0,0,0,0,0|2,0,0]=3 1451 B16R0.661 CCCCCCCCOCOC(=O)OCCC 7a_100000210232_200000139673 [1,0,0,0,0,0|2,0,0]=3 1452 B16R0.661 CCCCCCCCSCOC(=O)OCCC 62a_100000210759_200000139673 [1,0,0,0,0,0|2,0,0]=3 1453 B16R0.661 CCCCCCCNCCCC(=O)NCCC 2230a_100000229938_100011194427 [1,0,0,0,0,0|2,0,0]=3 1454 B16R0.661 CCCCCCCOCCCC(=O)NCCC 7a_100000210272_100011194427 [1,0,0,0,0,0|2,0,0]=3 1455 B16R0.661 CCCCCCCSCCCC(=O)NCCC 62a_100000210614_100011194427 [1,0,0,0,0,0|2,0,0]=3 1456 B16R0.661 CCCCCCCSCCCC(=O)NCCC 62a_100011194427_100000210316 [1,0,0,0,0,0|2,0,0]=3 1457 B16R0.661 CCCCCCOCCCCC(C)CCCC 34a_200011021034_100000210314 [1,0,0,0,0,0|2,0,1]=4 1458 B16R0.661 CCCCCCOCCCCC(C)CCCC 7a_200011021034_100000210314 [1,0,0,0,0,0|2,0,1]=4 1459 B16R0.661 CCCCCCOCCOCC(=O)NCCC 34a_100000691444_100000183358 [1,0,0,0,0,0|3,0,0]=4 1460 B16R0.661 CCCCCCOCCOCC(=O)NCCC 7a_100000691444_100000183358 [1,0,0,0,0,0|3,0,0]=4 1461 B16R0.661 CCCCCCOCCOCC(=O)OCCC 34a_100000691444_200011215008 [1,0,0,0,0,0|2,0,0]=3 1462 B16R0.661 CCCCCCOCCOCC(=O)OCCC 7a_100000691444_200011215008 [1,0,0,0,0,0|2,0,0]=3 1463 B16R0.661 CCCCCNCCOCOC(=O)OCCC 34a_100000224656_200000139673 [1,0,0,0,0,0|3,0,0]=4 1464 B16R0.661 CCCCCOCCOCOC(=O)OCCC 34a_100011215259_200000139673 [1,0,0,0,0,0|3,0,0]=4 1465 B16R0.661 CCCCCOCCOCOC(=O)OCCC 7a_100011215259_200000139673 [1,0,0,0,0,0|3,0,0]=4 1466 B16R0.661 CCCCN(C)CCCCCCCCCCO 2230a_100000207549_100009813290 [1,0,0,0,0,0|3,0,0]=4 1467 B16R0.661 CCCCN(C)CCCCCCCCCCO 269982a_100000207549_100009813290 [1,0,0,0,0,0|3,0,0]=4 1468 B16R0.661 CCCCNCCCCOCC(=O)NCCC 34a_200011216965_100000183358 [1,0,0,0,0,0|3,0,0]=4 1469 B16R0.661 CCCCNCCCCOCC(=O)OCCC 34a_200011216965_200011215008 [1,0,0,0,0,0|2,0,0]=3 1470 B16R0.661 CCCCOCCCCOCC(=O)NCCC 34a_200000760531_100000183358 [1,0,0,0,0,0|3,0,0]=4 1471 B16R0.661 CCCCOCCCCOCC(=O)NCCC 7a_200000760531_100000183358 [1,0,0,0,0,0|3,0,0]=4 1472 B16R0.661 CCCCOCCCCOCC(=O)OCCC 34a_200000760531_200011215008 [1,0,0,0,0,0|2,0,0]=3 1473 B16R0.661 CCCCOCCCCOCC(=O)OCCC 7a_200000760531_200011215008 [1,0,0,0,0,0|2,0,0]=3 1474 B16R0.661 CCCCOCCCNCOC(=O)OCCC 34a_200000211371_200000139673 [1,0,0,0,0,0|3,0,0]=4 1475 B16R0.661 CCCCOCCCOCOC(=O)OCCC 34a_200011215613_200000139673 [1,0,0,0,0,0|3,0,0]=4 1476 B16R0.661 CCCCOCCCOCOC(=O)OCCC 7a_200011215613_200000139673 [1,0,0,0,0,0|3,0,0]=4 1477 B16R0.661 CCCCOCCOCCCC(=O)NCCC 7a_100000210238_100011194427 [1,0,0,0,0,0|3,0,0]=4 1478 B16R0.661 CCCCOCCSCCCC(=O)NCCC 62a_100000743108_100011194427 [1,0,0,0,0,0|3,0,0]=4 1479 B16R0.661 CCCCOCCSCCCC(=O)NCCC 62a_100011194427_100000743108 [1,0,0,0,0,0|3,0,0]=4 1480 B16R0.661 CCCCSCCNCCCC(=O)NCCC 2230a_100025743550_100011194427 [1,0,0,0,0,0|3,0,0]=4 1481 B16R0.661 CCCCSCCOCCCC(=O)NCCC 7a_200000230436_100011194427 [1,0,0,0,0,0|3,0,0]=4 1482 B16R0.661 CCCNC(=O)CCCCCCCCCCO 240690a_100020643023_200000016029 [1,0,0,0,0,0|2,0,0]=3 1483 B16R0.661 CCCNC(=O)CCCNCCCCCCO 2230a_100000686447_100011194427 [1,0,0,0,0,0|3,0,0]=4 1484 B16R0.661 CCCNC(=O)CCCNCCCCCOC 2230a_100000747528_100011194427 [1,0,0,0,0,0|3,0,0]=4 1485 B16R0.661 CCCNC(=O)CCCNCCCOCCC 2230a_100011217757_100011194427 [1,0,0,0,0,0|3,0,0]=4 1486 B16R0.661 CCCNC(=O)CCCOCCCCCCBr 7a_100011215345_100011194427 [1,0,0,0,0,0|3,0,0]=4 1487 B16R0.661 CCCNC(=O)CCCOCCCCCCCl 7a_100000766143_100011194427 [1,0,0,0,0,0|3,0,0]=4 1488 B16R0.661 CCCNC(=O)CCCOCCCCCCF 7a_100000732779_100011194427 [1,0,0,0,0,0|3,0,0]=4 1489 B16R0.661 CCCNC(=O)CCCSCCCCCCF 62a_100011194427_100015922095 [1,0,0,0,0,0|3,0,0]=4 1490 B16R0.661 CCCNC(=O)CCCSCCCCCCF 62a_100015922095_100011194427 [1,0,0,0,0,0|3,0,0]=4 1491 B16R0.661 CCCNC(=O)CCCSCCCCCCO 62a_100000766143_100011194427 [1,0,0,0,0,0|3,0,0]=4 1492 B16R0.661 CCCNC(=O)CCCSCCCCCCO 62a_100011194427_100000766143 [1,0,0,0,0,0|3,0,0]=4 1493 B16R0.661 CCCNC(=O)CNCCCCCCCCO 2230a_100000174927_100000033203 [1,0,0,0,0,0|3,0,0]=4 1494 B16R0.661 CCCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183358 [1,0,0,0,0,0|3,0,0]=4 1495 B16R0.661 CCCNC(=O)CNCCCCCCCCO 34a_102515433106_100000183358 [1,0,0,0,0,0|3,0,0]=4 1496 B16R0.661 CCCNC(=O)COCCCCCCCCBr 34a_100009813846_100000183358 [1,0,0,0,0,0|3,0,0]=4 1497 B16R0.661 CCCNC(=O)COCCCCCCCCBr 7a_100009813846_100000183358 [1,0,0,0,0,0|3,0,0]=4 1498 B16R0.661 CCCNC(=O)COCCCCCCCCCl 34a_100000033203_100000183358 [1,0,0,0,0,0|3,0,0]=4 1499 B16R0.661 CCCNC(=O)COCCCCCCCCCl 7a_100000033203_100000183358 [1,0,0,0,0,0|3,0,0]=4 1500 B16R0.661 CCCNC(=O)COCCCCCCCCN 34a_102515433106_100000183358 [1,0,0,0,0,0|3,0,0]=4 1501 B16R0.661 CCCNC(=O)CSCCCCCCCCO 62a_100000033203_100000183358 [1,0,0,0,0,0|3,0,0]=4 1502 B16R0.661 CCCNC(=O)CSCCCCCCCCO 62a_100000183358_100000033203 [1,0,0,0,0,0|3,0,0]=4 1503 B16R0.661 CCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100020643023 [1,0,0,0,0,0|3,0,0]=4 1504 B16R0.661 CCCNC(=O)NCCCCCCCCCO 2708a_100020643023_100000078944 [1,0,0,0,0,0|3,0,0]=4 1505 B16R0.661 CCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100020643023 [1,0,0,0,0,0|3,0,0]=4 1506 B16R0.661 CCCNC(=O)NCCCCCCCCCO 273464a_100020643023_100000078944 [1,0,0,0,0,0|3,0,0]=4 1507 B16R0.661 CCCNC(=O)NCCCCCCCCCO 512a_100000078944_100020643023 [1,0,0,0,0,0|3,0,0]=4 1508 B16R0.661 CCCNC(=O)NCCCCCCCCCO 512a_100020643023_100000078944 [1,0,0,0,0,0|3,0,0]=4 1509 B16R0.661 CCCOC(=O)CNCCCCCCCCO 2230a_102515433106_200011215008 [1,0,0,0,0,0|2,0,0]=3 1510 B16R0.661 CCCOC(=O)CNCCCCCCCCO 34a_102515433106_200011215008 [1,0,0,0,0,0|2,0,0]=3 1511 B16R0.661 CCCOC(=O)COCCCCCCCCBr 34a_100009813846_200011215008 [1,0,0,0,0,0|2,0,0]=3 1512 B16R0.661 CCCOC(=O)COCCCCCCCCBr 7a_100009813846_200011215008 [1,0,0,0,0,0|2,0,0]=3 1513 B16R0.661 CCCOC(=O)COCCCCCCCCCl 34a_100000033203_200011215008 [1,0,0,0,0,0|2,0,0]=3 1514 B16R0.661 CCCOC(=O)COCCCCCCCCCl 7a_100000033203_200011215008 [1,0,0,0,0,0|2,0,0]=3 1515 B16R0.661 CCCOC(=O)COCCCCCCCCN 34a_102515433106_200011215008 [1,0,0,0,0,0|2,0,0]=3 1516 B16R0.661 CCCOC(=O)COCCCCCNCCN 34a_103619048469_200011215008 [1,0,0,0,0,0|3,0,0]=4 1517 B16R0.661 CCCOC(=O)COCCCOCCCOC 34a_200011215475_200011215008 [1,0,0,0,0,0|3,0,0]=4 1518 B16R0.661 CCCOC(=O)COCCCOCCCOC 7a_200011215475_200011215008 [1,0,0,0,0,0|3,0,0]=4 1519 B16R0.661 CCCOC(=O)CSCCCCCCCCO 62a_100000033203_200011215008 [1,0,0,0,0,0|2,0,0]=3 1520 B16R0.661 CCCOC(=O)CSCCCCCCCCO 62a_200011215008_100000033203 [1,0,0,0,0,0|2,0,0]=3 1521 B16R0.661 CCCOC(=O)OCNCCCCCCCO 34a_100011996573_200000139673 [1,0,0,0,0,0|3,0,0]=4 1522 B16R0.661 CCCOC(=O)OCOCCCCCCCBr 34a_100000760002_200000139673 [1,0,0,0,0,0|3,0,0]=4 1523 B16R0.661 CCCOC(=O)OCOCCCCCCCBr 7a_100000760002_200000139673 [1,0,0,0,0,0|3,0,0]=4 1524 B16R0.661 CCCOC(=O)OCOCCCCCCCN 34a_100011996573_200000139673 [1,0,0,0,0,0|3,0,0]=4 1525 B16R0.661 CCCOC(=O)OCOCCCCCCOC 34a_200012092642_200000139673 [1,0,0,0,0,0|3,0,0]=4 1526 B16R0.661 CCCOC(=O)OCOCCCCCCOC 7a_200012092642_200000139673 [1,0,0,0,0,0|3,0,0]=4 1527 B16R0.661 CCCOC(=O)OCSCCCCCCCO 62a_100000760002_200000139673 [1,0,0,0,0,0|3,0,0]=4 1528 B16R0.661 CCCOC(=O)OCSCCCCCCOC 62a_100011998445_200000139673 [1,0,0,0,0,0|3,0,0]=4 1529 B16R0.661 CCCOCCOCCNCC(=O)OCCC 2230a_200011904461_200011215008 [1,0,0,0,0,0|3,0,0]=4 1530 B16R0.661 CCCOCCOCCNCC(=O)OCCC 34a_200011904461_200011215008 [1,0,0,0,0,0|3,0,0]=4 1531 B16R0.661 CCNNC(=O)CCCCCCCCCCO 22a_100000756455_200000016029 [1,0,0,0,0,0|3,0,0]=4 1532 B16R0.661 CCOCC(=O)CCCCCCCCCCO 1458a_100000211967_100009813290 [1,0,0,0,0,0|2,0,0]=3 1533 B16R0.661 CCOCC(=O)NCCCCCCCCCO 240690a_100000078944_100000211967 [1,0,0,0,0,0|3,0,0]=4 1534 B16R0.661 CCSCC(=O)CCCCCCCCCCO 1458a_100000230394_100009813290 [1,0,0,0,0,0|2,0,0]=3 1535 B16R0.661 CCSCC(=O)NCCCCCCCCCO 240690a_100000078944_100000230394 [1,0,0,0,0,0|3,0,0]=4 1536 B16R0.661 COCCC(=O)CCCCCCCCCCO 1458a_100000749529_100009813290 [1,0,0,0,0,0|2,0,0]=3 1537 B16R0.661 COCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000749529 [1,0,0,0,0,0|3,0,0]=4 1538 B16R0.661 CSCCC(=O)CCCCCCCCCCO 1458a_100000174002_100009813290 [1,0,0,0,0,0|2,0,0]=3 1539 B16R0.661 CSCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000174002 [1,0,0,0,0,0|3,0,0]=4 1540 B16R0.661 N#CCCC(=O)CCCCCCCCCCO 1458a_100011934036_100009813290 [1,0,0,0,0,0|2,0,1]=4 1541 B16R0.661 O=C(CCCCCCCCCCO)NCCF 240690a_100000724931_200000016029 [1,0,0,0,0,0|3,0,0]=4 1542 B16R0.661 O=C(CCCCCCCCCCO)NCCO 240690a_100000210304_200000016029 [1,0,0,0,0,0|3,0,0]=4 1543 B18R0.45 C=C(CCC)CC(=O)CCCCCCCCCCO 1458a_100000138376_100009813290 [0,1,0,0,0,0|2,0,1]=4 1544 B18R0.45 C=C(CCC)CC(=O)NCCCCCCCCCC 11a_100000684558_100000138376 [0,1,0,0,0,0|2,0,1]=4 1545 B18R0.45 C=C(CCC)CC(=O)NCCCCCCCCCC 240690a_100000684558_100000138376 [0,1,0,0,0,0|2,0,1]=4 1546 B18R0.45 C=C(CCC)CC(=O)NCCCCCCCCCC 527a_100000684558_100000138376 [0,1,0,0,0,0|2,0,1]=4 1547 B18R0.45 CCCC(=CC(=O)CCCCCCCCCCO)C 1458a_100020676950_100009813290 [0,1,0,0,0,0|2,0,1]=4 1548 B18R0.45 CCCC(C)CC(=O)CCCCCCCCCCO 1458a_100000748435_100009813290 [0,1,0,0,0,0|2,0,0]=3 1549 B18R0.45 CCCC(C)CC(=O)NCCCCCCCCCO 240690a_100000078944_100000748435 [0,1,0,0,0,0|3,0,0]=4 1550 B18R0.45 CCCC(C)NC(=O)CCCCCCCCCCO 240690a_100000741246_200000016029 [0,1,0,0,0,0|2,0,0]=3 1551 B18R0.45 CCCC(C)NC(=O)NCCCCCCCCCO 2708a_100000078944_100000741246 [0,1,0,0,0,0|3,0,0]=4 1552 B18R0.45 CCCC(C)NC(=O)NCCCCCCCCCO 2708a_100000741246_100000078944 [0,1,0,0,0,0|3,0,0]=4 1553 B18R0.45 CCCC(C)NC(=O)NCCCCCCCCCO 273464a_100000741246_100000078944 [0,1,0,0,0,0|3,0,0]=4 1554 B18R0.45 CCCC(C)NC(=O)NCCCCCCCCCO 512a_100000078944_100000741246 [0,1,0,0,0,0|3,0,0]=4 1555 B18R0.45 CCCC(C)NC(=O)NCCCCCCCCCO 512a_100000741246_100000078944 [0,1,0,0,0,0|3,0,0]=4 1556 B18R0.45 CCCCCCCCCC=CC(=O)NC(C)CCC 11a_100000741246_200015352897 [0,1,0,0,0,0|1,0,2]=4 1557 B18R0.45 CCCCCCCCCC=CC(=O)NC(C)CCC 1626a_100000741246_200015352897 [0,1,0,0,0,0|1,0,2]=4 1558 B18R0.45 CCCCCCCCCC=CC(=O)NC(C)CCC 240690a_100000741246_200015352897 [0,1,0,0,0,0|1,0,2]=4 1559 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)CCC 1458a_100000210736_100000747444 [0,1,0,0,0,0|1,0,1]=3 1560 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)NCC 1458a_100000210736_100000183381 [0,1,0,0,0,0|2,0,1]=4 1561 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)OCC 1458a_100000210736_100000188475 [0,1,0,0,0,0|2,0,1]=4 1562 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100011215454 [0,1,0,0,0,0|2,0,1]=4 1563 B18R0.45 CCCCCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100011215454 [0,1,0,0,0,0|2,0,0]=3 1564 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100000210736 [0,1,0,0,0,0|1,0,0]=2 1565 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100000210736 [0,1,0,0,0,0|1,0,0]=2 1566 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100000210736 [0,1,0,0,0,0|1,0,0]=2 1567 B18R0.45 CCCCCCCCCCCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000210736 [0,1,0,0,0,0|2,0,1]=4 1568 B18R0.45 CCCCCCCCCCCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000210736 [0,1,0,0,0,0|2,0,1]=4 1569 B18R0.45 CCCCCCCCCCCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000210736 [0,1,0,0,0,0|2,0,1]=4 1570 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210736 [0,1,0,0,0,0|2,0,0]=3 1571 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)COC 11a_100000764878_100000210736 [0,1,0,0,0,0|2,0,0]=3 1572 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000210736 [0,1,0,0,0,0|2,0,0]=3 1573 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000210736 [0,1,0,0,0,0|2,0,0]=3 1574 B18R0.45 CCCCCCCCCCCC(C)OC(C)CCO 34a_100011217895_100009893172 [0,1,0,0,0,0|2,0,1]=4 1575 B18R0.45 CCCCCCCCCCCC(C)OC(C)CCO 7a_100011217895_100009893172 [0,1,0,0,0,0|2,0,1]=4 1576 B18R0.45 CCCCCCCCCCCC(C)OC(C)COC 34a_100011217895_100000765312 [0,1,0,0,0,0|2,0,1]=4 1577 B18R0.45 CCCCCCCCCCCC(C)OC(C)COC 7a_100011217895_100000765312 [0,1,0,0,0,0|2,0,1]=4 1578 B18R0.45 CCCCCCCCCCNC(=O)C=C(C)CCC 11a_100000684558_100020676950 [0,1,0,0,0,0|2,0,1]=4 1579 B18R0.45 CCCCCCCCCCNC(=O)C=C(C)CCC 1626a_100000684558_100020676950 [0,1,0,0,0,0|2,0,1]=4 1580 B18R0.45 CCCCCCCCCCNC(=O)C=C(C)CCC 240690a_100000684558_100020676950 [0,1,0,0,0,0|2,0,1]=4 1581 B18R0.45 CCCCCCCCCCNC(=O)CC(C)CCC 11a_100000684558_100000748435 [0,1,0,0,0,0|2,0,0]=3 1582 B18R0.45 CCCCCCCCCCNC(=O)CC(C)CCC 1626a_100000684558_100000748435 [0,1,0,0,0,0|2,0,0]=3 1583 B18R0.45 CCCCCCCCCCNC(=O)CC(C)CCC 240690a_100000684558_100000748435 [0,1,0,0,0,0|2,0,0]=3 1584 B18R0.45 CCCCCCCCCCNC(=O)CC(C)CCC 527a_100000684558_100000748435 [0,1,0,0,0,0|2,0,0]=3 1585 B18R0.45 CCCCCCCCCCNC(=O)CC(C)SCC 11a_100000684558_200011311441 [0,1,0,0,0,0|3,0,0]=4 1586 B18R0.45 CCCCCCCCCCNC(=O)CC(C)SCC 1626a_100000684558_200011311441 [0,1,0,0,0,0|3,0,0]=4 1587 B18R0.45 CCCCCCCCCCNC(=O)CC(C)SCC 240690a_100000684558_200011311441 [0,1,0,0,0,0|3,0,0]=4 1588 B18R0.45 CCCCCCCCCCNC(=O)CC(C)SCC 527a_100000684558_200011311441 [0,1,0,0,0,0|3,0,0]=4 1589 B18R0.45 CCCCCCCCCCNC(=O)CS(=O)CCC 11a_100000684558_100011387404 [0,1,0,0,0,0|3,0,0]=4 1590 B18R0.45 CCCCCCCCCCNC(=O)CS(=O)CCC 1626a_100000684558_100011387404 [0,1,0,0,0,0|3,0,0]=4 1591 B18R0.45 CCCCCCCCCCNC(=O)CS(=O)CCC 240690a_100000684558_100011387404 [0,1,0,0,0,0|3,0,0]=4 1592 B18R0.45 CCCCCCCCCCNC(=O)CS(=O)CCC 527a_100000684558_100011387404 [0,1,0,0,0,0|3,0,0]=4 1593 B18R0.45 CCCCCCCCCCNC(=O)NC(C)CCC 2708a_100000684558_100000741246 [0,1,0,0,0,0|2,0,0]=3 1594 B18R0.45 CCCCCCCCCCNC(=O)NC(C)CCC 2708a_100000741246_100000684558 [0,1,0,0,0,0|2,0,0]=3 1595 B18R0.45 CCCCCCCCCCNC(=O)NC(C)CCC 273464a_100000741246_100000684558 [0,1,0,0,0,0|2,0,0]=3 1596 B18R0.45 CCCCCCCCCCNC(=O)NC(C)CCC 512a_100000684558_100000741246 [0,1,0,0,0,0|2,0,0]=3 1597 B18R0.45 CCCCCCCCCCNC(=O)NC(C)CCC 512a_100000741246_100000684558 [0,1,0,0,0,0|2,0,0]=3 1598 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)CCO 2708a_100000684558_100000706166 [0,1,0,0,0,0|3,0,0]=4 1599 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)CCO 273464a_100000706166_100000684558 [0,1,0,0,0,0|3,0,0]=4 1600 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)CCO 512a_100000684558_100000706166 [0,1,0,0,0,0|3,0,0]=4 1601 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)CCO 512a_100000706166_100000684558 [0,1,0,0,0,0|3,0,0]=4 1602 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)COC 2708a_100000684558_100000764878 [0,1,0,0,0,0|3,0,0]=4 1603 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)COC 2708a_100000764878_100000684558 [0,1,0,0,0,0|3,0,0]=4 1604 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)COC 273464a_100000684558_100000764878 [0,1,0,0,0,0|3,0,0]=4 1605 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)COC 273464a_100000764878_100000684558 [0,1,0,0,0,0|3,0,0]=4 1606 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)COC 512a_100000684558_100000764878 [0,1,0,0,0,0|3,0,0]=4 1607 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)COC 512a_100000764878_100000684558 [0,1,0,0,0,0|3,0,0]=4 1608 B18R0.45 CCCCCCCCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000210668 [0,1,0,0,0,0|2,0,1]=4 1609 B18R0.45 CCCCCCCCCCOC(=O)CN(C)CCC 2230a_100000747261_100000210668 [0,1,0,0,0,0|3,0,0]=4 1610 B18R0.45 CCCCCCCCCCOC(=O)CN(C)CCC 269982a_100000747261_100000210668 [0,1,0,0,0,0|3,0,0]=4 1611 B18R0.45 CCCS(=O)CC(=O)CCCCCCCCCCO 1458a_100011387404_100009813290 [0,1,0,0,0,0|3,0,0]=4 1612 B18R0.45 CCSC(C)CC(=O)CCCCCCCCCCO 1458a_200011311441_100009813290 [0,1,0,0,0,0|3,0,0]=4 1613 B18R0.45 COC[C@@H](C)NC(=O)CCCCCCCCCCO 240690a_100000764878_200000016029 [0,1,0,0,0,0|3,0,0]=4 1614 B18R0.45 C[C@H](CCO)NC(=O)CCCCCCCCCCO 240690a_100000706166_200000016029 [0,1,0,0,0,0|3,0,0]=4 1615 B18R0.78 CCCCCCNC(=O)CSCC(=O)OCCCC 62a_100000230325_100000211628 [0,1,0,0,0,0|2,0,1]=4 1616 B18R0.166 CCCCCC(=O)CCCCCCCC(=O)OCC 1458a_100000212188_100009991516 [0,1,0,0,0,0|2,0,1]=4 1617 B18R0.166 CCCCOC(=O)COCCCCCC(=O)OCC 7a_100011214988_100000211628 [0,1,0,0,0,0|2,0,1]=4 1618 B18R0.166 CCCCOC(=O)CSCCCCCC(=O)OCC 62a_100000211628_100000755133 [0,1,0,0,0,0|2,0,1]=4 1619 B18R0.166 CCCCOC(=O)CSCCCCCC(=O)OCC 62a_100000755133_100000211628 [0,1,0,0,0,0|2,0,1]=4 1620 B18R0.180 CCCCCCCCCCCC(=NNCCC)CC 4a_100000740057_100011216094 [0,1,0,0,0,0|3,0,0]=4 1621 B18R0.233 C=C(C)CNNC(=O)CCCCCCCCCCC 22a_100000729518_100000210736 [0,1,0,0,0,0|2,0,1]=4 1622 B18R0.233 CC(C)CCCC(=O)CCCCCCCCCCO 1458a_100011216857_100009813290 [0,1,0,0,0,0|2,0,0]=3 1623 B18R0.233 CC(C)CCCC(=O)NCCCCCCCCCO 240690a_100000078944_100011216857 [0,1,0,0,0,0|3,0,0]=4 1624 B18R0.233 CC(C)CCNC(=O)CCCCCCCCCCO 240690a_100000210545_200000016029 [0,1,0,0,0,0|2,0,0]=3 1625 B18R0.233 CC(C)CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000210545 [0,1,0,0,0,0|3,0,0]=4 1626 B18R0.233 CC(C)CCNC(=O)NCCCCCCCCCO 2708a_100000210545_100000078944 [0,1,0,0,0,0|3,0,0]=4 1627 B18R0.233 CC(C)CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000210545 [0,1,0,0,0,0|3,0,0]=4 1628 B18R0.233 CC(C)CCNC(=O)NCCCCCCCCCO 273464a_100000210545_100000078944 [0,1,0,0,0,0|3,0,0]=4 1629 B18R0.233 CC(C)CCNC(=O)NCCCCCCCCCO 512a_100000078944_100000210545 [0,1,0,0,0,0|3,0,0]=4 1630 B18R0.233 CC(C)CCNC(=O)NCCCCCCCCCO 512a_100000210545_100000078944 [0,1,0,0,0,0|3,0,0]=4 1631 B18R0.233 CC(C)CNNC(=O)CCCCCCCCCCO 22a_100000696102_200000016029 [0,1,0,0,0,0|3,0,0]=4 1632 B18R0.233 CC(C)COCC(=O)CCCCCCCCCCO 1458a_100011223364_100009813290 [0,1,0,0,0,0|3,0,0]=4 1633 B18R0.233 CC(O)CCNC(=O)CCCCCCCCCCO 240690a_200000755665_200000016029 [0,1,0,0,0,0|2,0,0]=3 1634 B18R0.233 CC(O)CCNC(=O)NCCCCCCCCCO 2708a_100000078944_200000755665 [0,1,0,0,0,0|3,0,0]=4 1635 B18R0.233 CC(O)CCNC(=O)NCCCCCCCCCO 273464a_200000755665_100000078944 [0,1,0,0,0,0|3,0,0]=4 1636 B18R0.233 CC(O)CCNC(=O)NCCCCCCCCCO 512a_100000078944_200000755665 [0,1,0,0,0,0|3,0,0]=4 1637 B18R0.233 CC(O)CCNC(=O)NCCCCCCCCCO 512a_200000755665_100000078944 [0,1,0,0,0,0|3,0,0]=4 1638 B18R0.233 CC(O)CNNC(=O)CCCCCCCCCCO 22a_200000730056_200000016029 [0,1,0,0,0,0|3,0,0]=4 1639 B18R0.233 CCCCCCCCCC=CC(=O)CCCC(C)O 1458a_200015352897_200000718107 [0,1,0,0,0,0|1,0,2]=4 1640 B18R0.233 CCCCCCCCCC=CC(=O)NCCC(C)C 11a_100000210545_200015352897 [0,1,0,0,0,0|1,0,2]=4 1641 B18R0.233 CCCCCCCCCC=CC(=O)NCCC(C)C 1626a_100000210545_200015352897 [0,1,0,0,0,0|1,0,2]=4 1642 B18R0.233 CCCCCCCCCC=CC(=O)NCCC(C)C 240690a_100000210545_200015352897 [0,1,0,0,0,0|1,0,2]=4 1643 B18R0.233 CCCCCCCCCC=CC(=O)NCCC(C)O 240690a_200000755665_200015352897 [0,1,0,0,0,0|1,0,2]=4 1644 B18R0.233 CCCCCCCCCCCC(=NNCC(C)O)C 4a_200000730056_100011216755 [0,1,0,0,0,0|3,0,0]=4 1645 B18R0.233 CCCCCCCCCCCC(=O)C=CCN(C)C 1458a_100000754359_100011215454 [0,1,0,0,0,0|2,0,1]=4 1646 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210736_100011215641 [0,1,0,0,0,0|1,0,1]=3 1647 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210736_100102525003 [0,1,0,0,0,0|2,0,1]=4 1648 B18R0.233 CCCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210736_200000718107 [0,1,0,0,0,0|1,0,0]=2 1649 B18R0.233 CCCCCCCCCCCC(=O)CCCN(C)C 1458a_100000210736_100000695564 [0,1,0,0,0,0|2,0,0]=3 1650 B18R0.233 CCCCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215454 [0,1,0,0,0,0|3,0,0]=4 1651 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011215454 [0,1,0,0,0,0|2,0,1]=4 1652 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210736_100000189650 [0,1,0,0,0,0|2,0,1]=4 1653 B18R0.233 CCCCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210736_100009814007 [0,1,0,0,0,0|2,0,1]=4 1654 B18R0.233 CCCCCCCCCCCC(=O)CCOC(C)C 1458a_100000210736_100000211751 [0,1,0,0,0,0|2,0,0]=3 1655 B18R0.233 CCCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215454 [0,1,0,0,0,0|2,0,1]=4 1656 B18R0.233 CCCCCCCCCCCC(=O)COCC(C)C 1458a_100011223364_100011215454 [0,1,0,0,0,0|2,0,0]=3 1657 B18R0.233 CCCCCCCCCCCC(=O)NCC=C(C)C 11a_100000718196_100000210736 [0,1,0,0,0,0|1,0,2]=4 1658 B18R0.233 CCCCCCCCCCCC(=O)NCC=C(C)C 1626a_100000718196_100000210736 [0,1,0,0,0,0|1,0,2]=4 1659 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210736 [0,1,0,0,0,0|2,0,1]=4 1660 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210736 [0,1,0,0,0,0|2,0,1]=4 1661 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000210736 [0,1,0,0,0,0|1,0,0]=2 1662 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000210736 [0,1,0,0,0,0|1,0,0]=2 1663 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000210736 [0,1,0,0,0,0|1,0,0]=2 1664 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000210736 [0,1,0,0,0,0|1,0,0]=2 1665 B18R0.233 CCCCCCCCCCCC(=O)NCCN(C)C 240690a_100000210585_100000210736 [0,1,0,0,0,0|2,0,0]=3 1666 B18R0.233 CCCCCCCCCCCC(=O)NN=CC(C)C 4a_200011219152_100000210432 [0,1,0,0,0,0|2,0,1]=4 1667 B18R0.233 CCCCCCCCCCCC(=O)NNCC(C)C 22a_100000696102_100000210736 [0,1,0,0,0,0|2,0,0]=3 1668 B18R0.233 CCCCCCCCCCCC(=O)NNCC(C)O 22a_200000730056_100000210736 [0,1,0,0,0,0|2,0,0]=3 1669 B18R0.233 CCCCCCCCCCCC(=O)OCCC(=O)C 1458a_100000070787_100000091854 [0,1,0,0,0,0|0,0,1]=2 1670 B18R0.233 CCCCCCCCCCCC(=O)OCCN(C)C 2230a_100102631434_100000091854 [0,1,0,0,0,0|1,0,0]=2 1671 B18R0.233 CCCCCCCCCCCC(=O)OCCN(C)C 269982a_100102631434_100000091854 [0,1,0,0,0,0|1,0,0]=2 1672 B18R0.233 CCCCCCCCCCCC(=O)OCNC(C)C 2230a_100138425928_100020644155 [0,1,0,0,0,0|1,0,0]=2 1673 B18R0.233 CCCCCCCCCCCC(=O)OCNC(C)C 34a_100138425928_100020644155 [0,1,0,0,0,0|1,0,0]=2 1674 B18R0.233 CCCCCCCCCCCC(=O)OCOC(C)C 34a_100000212225_100020644155 [0,1,0,0,0,0|1,0,0]=2 1675 B18R0.233 CCCCCCCCCCCC(=O)OCSC(C)C 62a_100000210206_100020644155 [0,1,0,0,0,0|1,0,0]=2 1676 B18R0.233 CCCCCCCCCCCC(C)NCCC(C)C 270004a_100000210545_100011216755 [0,1,0,0,0,0|2,0,1]=4 1677 B18R0.233 CCCCCCCCCCCC(C)NCCC(C)O 270004a_200000755665_100011216755 [0,1,0,0,0,0|2,0,1]=4 1678 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)C 7a_100011217895_100000053229 [0,1,0,0,0,0|1,0,2]=4 1679 B18R0.233 CCCCCCCCCCCC(C)OCCC(C)O 34a_100011217895_100012276601 [0,1,0,0,0,0|1,0,1]=3 1680 B18R0.233 CCCCCCCCCCCC(C)OCCC(C)O 7a_100011217895_100012276601 [0,1,0,0,0,0|1,0,1]=3 1681 B18R0.233 CCCCCCCCCCCC(C)OCCN(C)C 7a_100011217895_100000755713 [0,1,0,0,0,0|2,0,1]=4 1682 B18R0.233 CCCCCCCCCCCC(C)OCOC(C)C 34a_100011217895_100000709892 [0,1,0,0,0,0|2,0,1]=4 1683 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 11a_100000684558_100011216857 [0,1,0,0,0,0|2,0,0]=3 1684 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 1626a_100000684558_100011216857 [0,1,0,0,0,0|2,0,0]=3 1685 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 240690a_100000684558_100011216857 [0,1,0,0,0,0|2,0,0]=3 1686 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 527a_100000684558_100011216857 [0,1,0,0,0,0|2,0,0]=3 1687 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)O 1626a_100000684558_100000761597 [0,1,0,0,0,0|2,0,0]=3 1688 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)O 527a_100000684558_100000761597 [0,1,0,0,0,0|2,0,0]=3 1689 B18R0.233 CCCCCCCCCCNC(=O)CCCN(C)C 11a_100000684558_100000740757 [0,1,0,0,0,0|3,0,0]=4 1690 B18R0.233 CCCCCCCCCCNC(=O)CCCN(C)C 240690a_100000684558_100000740757 [0,1,0,0,0,0|3,0,0]=4 1691 B18R0.233 CCCCCCCCCCNC(=O)COCC(C)C 11a_100000684558_100011223364 [0,1,0,0,0,0|3,0,0]=4 1692 B18R0.233 CCCCCCCCCCNC(=O)COCC(C)C 1626a_100000684558_100011223364 [0,1,0,0,0,0|3,0,0]=4 1693 B18R0.233 CCCCCCCCCCNC(=O)COCC(C)C 240690a_100000684558_100011223364 [0,1,0,0,0,0|3,0,0]=4 1694 B18R0.233 CCCCCCCCCCNC(=O)COCC(C)C 527a_100000684558_100011223364 [0,1,0,0,0,0|3,0,0]=4 1695 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 2708a_100000210545_100000684558 [0,1,0,0,0,0|2,0,0]=3 1696 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 2708a_100000684558_100000210545 [0,1,0,0,0,0|2,0,0]=3 1697 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 273464a_100000210545_100000684558 [0,1,0,0,0,0|2,0,0]=3 1698 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 273464a_100000684558_100000210545 [0,1,0,0,0,0|2,0,0]=3 1699 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 512a_100000210545_100000684558 [0,1,0,0,0,0|2,0,0]=3 1700 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 512a_100000684558_100000210545 [0,1,0,0,0,0|2,0,0]=3 1701 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 2708a_100000684558_200000755665 [0,1,0,0,0,0|2,0,0]=3 1702 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 273464a_200000755665_100000684558 [0,1,0,0,0,0|2,0,0]=3 1703 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 512a_100000684558_200000755665 [0,1,0,0,0,0|2,0,0]=3 1704 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 512a_200000755665_100000684558 [0,1,0,0,0,0|2,0,0]=3 1705 B18R0.233 CCCCCCCCCCNC(=O)NCCN(C)C 2708a_100000684558_100000210585 [0,1,0,0,0,0|3,0,0]=4 1706 B18R0.233 CCCCCCCCCCNC(=O)NCCN(C)C 273464a_100000210585_100000684558 [0,1,0,0,0,0|3,0,0]=4 1707 B18R0.233 CCCCCCCCCCNC(=O)NCCN(C)C 273464a_100000684558_100000210585 [0,1,0,0,0,0|3,0,0]=4 1708 B18R0.233 CCCCCCCCCCNC(=O)NCCN(C)C 512a_100000684558_100000210585 [0,1,0,0,0,0|3,0,0]=4 1709 B18R0.233 CCCCCCCCCCNC(=O)NNCC(C)C 273464a_100000684558_100000696102 [0,1,0,0,0,0|3,0,0]=4 1710 B18R0.233 CCCCCCCCCCNC(=O)NNCC(C)C 512a_100000684558_100000696102 [0,1,0,0,0,0|3,0,0]=4 1711 B18R0.233 CCCCCCCCCCNC(=O)NNCC(C)C 512a_100000696102_100000684558 [0,1,0,0,0,0|3,0,0]=4 1712 B18R0.233 CCCCCCCCCCNC(=O)NNCC(C)O 512a_100000684558_200000730056 [0,1,0,0,0,0|3,0,0]=4 1713 B18R0.233 CCCCCCCCCCNC(=O)NNCC(C)O 512a_200000730056_100000684558 [0,1,0,0,0,0|3,0,0]=4 1714 B18R0.233 CCCCCCCCCCOC(=O)CNCC(C)C 2230a_100000210953_100000210668 [0,1,0,0,0,0|3,0,0]=4 1715 B18R0.233 CCCCCCCCCCOC(=O)CNCC(C)C 34a_100000210953_100000210668 [0,1,0,0,0,0|3,0,0]=4 1716 B18R0.233 CCCCCCCCCCOC(=O)CNCC(C)O 2230a_100000210904_100000210668 [0,1,0,0,0,0|3,0,0]=4 1717 B18R0.233 CCCCCCCCCCOC(=O)CNCC(C)O 34a_100000210904_100000210668 [0,1,0,0,0,0|3,0,0]=4 1718 B18R0.233 CCCCCCCCCCOC(=O)COCC(C)Br 34a_100012180447_100000210668 [0,1,0,0,0,0|3,0,0]=4 1719 B18R0.233 CCCCCCCCCCOC(=O)COCC(C)C 34a_100000210257_100000210668 [0,1,0,0,0,0|3,0,0]=4 1720 B18R0.233 CCCCCCCCCCOC(=O)COCC(C)F 34a_100015925927_100000210668 [0,1,0,0,0,0|3,0,0]=4 1721 B18R0.233 CCCCCCCCCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000210668 [0,1,0,0,0,0|3,0,0]=4 1722 B18R0.233 CCCCCCCCCCOC(=O)COC[C@@H](C)N 34a_100000737577_100000210668 [0,1,0,0,0,0|3,0,0]=4 1723 B18R0.233 CCCCCCCCCCOC(=O)CSCC(C)C 62a_100000210624_100000680656 [0,1,0,0,0,0|3,0,0]=4 1724 B18R0.233 CCCCCCCCCCOC(=O)CSCC(C)C 62a_100000680656_100000210760 [0,1,0,0,0,0|3,0,0]=4 1725 B18R0.233 CCCCCCCCCCOC(=O)CSCC(C)O 62a_100000680656_100011218427 [0,1,0,0,0,0|3,0,0]=4 1726 B18R0.233 CCCCCCCCCCOC(=O)CSCC(C)O 62a_100011218427_100000680656 [0,1,0,0,0,0|3,0,0]=4 1727 B18R0.233 CCCCCCCCCCOC(=O)CSC[C@@H](C)O 62a_100000680656_100009817552 [0,1,0,0,0,0|3,0,0]=4 1728 B18R0.233 CCCCCCCCCCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000680656 [0,1,0,0,0,0|3,0,0]=4 1729 B18R0.233 CN(C)CCNC(=O)CCCCCCCCCCO 240690a_100000210585_200000016029 [0,1,0,0,0,0|3,0,0]=4 1730 B18R0.3137 CCCCCC(=O)COCCCCCCCC(C)C 34a_200000210741_200012276598 [0,1,0,0,0,0|2,0,0]=3 1731 B18R0.3137 CCCCCC(=O)COCCCCCCCC(C)C 7a_200000210741_200012276598 [0,1,0,0,0,0|2,0,0]=3 1732 B18R0.3137 CCCCNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000182744 [0,1,0,0,0,0|2,0,0]=3 1733 B18R0.3137 CCCCNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000182744 [0,1,0,0,0,0|2,0,0]=3 1734 B18R0.3137 CCCCOC(=O)CNCCCCCCNC(=O)C 2230a_200011996284_100000211628 [0,1,0,0,0,0|2,0,1]=4 1735 B18R0.3137 CCCCOC(=O)CNCCCCCCNC(=O)C 34a_200011996284_100000211628 [0,1,0,0,0,0|2,0,1]=4 1736 B18R0.3137 CCCCOC(=O)COCCCCCCCC(C)C 34a_200000210741_100000211628 [0,1,0,0,0,0|1,0,0]=2 1737 B18R0.3137 CCCCOC(=O)COCCCCCCCC(C)C 7a_200000210741_100000211628 [0,1,0,0,0,0|1,0,0]=2 1738 B18R0.3137 COCCNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000183275 [0,1,0,0,0,0|3,0,0]=4 1739 B18R0.3137 COCCNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000183275 [0,1,0,0,0,0|3,0,0]=4 1740 B18R0.3137 COCCOC(=O)COCCCCCCCC(C)C 34a_200000210741_200000040189 [0,1,0,0,0,0|2,0,0]=3 1741 B18R0.3137 COCCOC(=O)COCCCCCCCC(C)C 7a_200000210741_200000040189 [0,1,0,0,0,0|2,0,0]=3 1742 B18R0.7692 CCCCCCCCCCNS(=O)(=O)CCCCC 270084a_100000684558_100000753860 [0,1,0,0,0,0|3,0,0]=4 1743 B18R0.7692 CCCCCCCCCCNS(=O)(=O)CCCCC 274078a_100000684558_100000753860 [0,1,0,0,0,0|3,0,0]=4 1744 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100010269958 [0,1,0,0,0,0|1,0,1]=3 1745 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCCC 1458a_100000696528_100011215454 [0,1,0,0,0,0|1,0,1]=3 1746 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCCO 1458a_100000696528_100009813290 [0,1,0,0,0,0|2,0,1]=4 1747 B18R0.7792 C#CCCCCC(=O)NCCCCCCCCCC 11a_100000684558_100000696528 [0,1,0,0,0,0|2,0,1]=4 1748 B18R0.7792 C#CCCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000696528 [0,1,0,0,0,0|2,0,1]=4 1749 B18R0.7792 C#CCCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000696528 [0,1,0,0,0,0|2,0,1]=4 1750 B18R0.7792 C#CCCCCC(=O)NCCCCCCCCCC 527a_100000684558_100000696528 [0,1,0,0,0,0|2,0,1]=4 1751 B18R0.7792 C#CCCCCCCCOCC(=O)OCCOCC 34a_100000054614_200000101388 [0,1,0,0,0,0|1,0,2]=4 1752 B18R0.7792 C#CCCCCCCCOCC(=O)OCCOCC 7a_100000054614_200000101388 [0,1,0,0,0,0|1,0,2]=4 1753 B18R0.7792 C#CCCCCCCCSCC(=O)OCCOCC 62a_100153394163_200000101388 [0,1,0,0,0,0|1,0,2]=4 1754 B18R0.7792 C#CCCCCCCCSCC(=O)OCCOCC 62a_200000101388_100153394163 [0,1,0,0,0,0|1,0,2]=4 1755 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 11a_100000718082_100000210736 [0,1,0,0,0,0|1,0,1]=3 1756 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 1626a_100000718082_100000210736 [0,1,0,0,0,0|1,0,1]=3 1757 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 240690a_100000718082_100000210736 [0,1,0,0,0,0|1,0,1]=3 1758 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCO 240690a_100000718082_200000016029 [0,1,0,0,0,0|2,0,1]=4 1759 B18R0.7792 C#CCCCNC(=O)NCCCCCCCCCC 2708a_100000684558_100000718082 [0,1,0,0,0,0|2,0,1]=4 1760 B18R0.7792 C#CCCCNC(=O)NCCCCCCCCCC 2708a_100000718082_100000684558 [0,1,0,0,0,0|2,0,1]=4 1761 B18R0.7792 C#CCCCNC(=O)NCCCCCCCCCC 273464a_100000684558_100000718082 [0,1,0,0,0,0|2,0,1]=4 1762 B18R0.7792 C#CCCCNC(=O)NCCCCCCCCCC 273464a_100000718082_100000684558 [0,1,0,0,0,0|2,0,1]=4 1763 B18R0.7792 C#CCCCNC(=O)NCCCCCCCCCC 512a_100000684558_100000718082 [0,1,0,0,0,0|2,0,1]=4 1764 B18R0.7792 C#CCCCNC(=O)NCCCCCCCCCC 512a_100000718082_100000684558 [0,1,0,0,0,0|2,0,1]=4 1765 B18R0.7792 C#CCCCOC(C)CCCCCCCCCCC 34a_100011217895_100000695029 [0,1,0,0,0,0|1,0,2]=4 1766 B18R0.7792 C#CCCCOC(C)CCCCCCCCCCC 7a_100011217895_100011215417 [0,1,0,0,0,0|1,0,2]=4 1767 B18R0.7792 C#CCCOCC(=O)OCCCCCCCCCC 34a_100011215631_100000210668 [0,1,0,0,0,0|1,0,2]=4 1768 B18R0.7792 C#CCNCOC(=O)CCCCCCCCCCC 34a_100000212058_100020644155 [0,1,0,0,0,0|0,0,2]=3 1769 B18R0.7792 C#CCOCCC(=O)CCCCCCCCCCC 1458a_100000210736_100010402529 [0,1,0,0,0,0|1,0,2]=4 1770 B18R0.7792 C#CCOCCC(=O)CCCCCCCCCCC 1458a_100000693358_100011215454 [0,1,0,0,0,0|1,0,2]=4 1771 B18R0.7792 C#CCOCOC(=O)CCCCCCCCCCC 34a_100000210247_100020644155 [0,1,0,0,0,0|0,0,2]=3 1772 B18R0.7792 C#CCSCOC(=O)CCCCCCCCCCC 62a_100000038162_100020644155 [0,1,0,0,0,0|0,0,2]=3 1773 B18R0.7792 C/C=C/COCC(=O)OCCCCCCCCCC 34a_100016270725_100000210668 [0,1,0,0,0,0|1,0,2]=4 1774 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 11a_100000684558_100011215552 [0,1,0,0,0,0|2,0,1]=4 1775 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100011215552 [0,1,0,0,0,0|2,0,1]=4 1776 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100011215552 [0,1,0,0,0,0|2,0,1]=4 1777 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 527a_100000684558_100011215552 [0,1,0,0,0,0|2,0,1]=4 1778 B18R0.7792 C=CCCCCCCCOCC(=O)OCCOCC 34a_100000730831_200000101388 [0,1,0,0,0,0|1,0,2]=4 1779 B18R0.7792 C=CCCCCCCCOCC(=O)OCCOCC 7a_100000730831_200000101388 [0,1,0,0,0,0|1,0,2]=4 1780 B18R0.7792 C=CCCCCCCCSCC(=O)OCCOCC 62a_100012355270_200000101388 [0,1,0,0,0,0|1,0,2]=4 1781 B18R0.7792 C=CCCCCCCCSCC(=O)OCCOCC 62a_200000101388_100012355270 [0,1,0,0,0,0|1,0,2]=4 1782 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 11a_100000700776_100000210736 [0,1,0,0,0,0|1,0,1]=3 1783 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 1626a_100000700776_100000210736 [0,1,0,0,0,0|1,0,1]=3 1784 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 240690a_100000700776_100000210736 [0,1,0,0,0,0|1,0,1]=3 1785 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCO 240690a_100000700776_200000016029 [0,1,0,0,0,0|2,0,1]=4 1786 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 2708a_100000684558_100000700776 [0,1,0,0,0,0|2,0,1]=4 1787 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 2708a_100000700776_100000684558 [0,1,0,0,0,0|2,0,1]=4 1788 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 273464a_100000684558_100000700776 [0,1,0,0,0,0|2,0,1]=4 1789 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 273464a_100000700776_100000684558 [0,1,0,0,0,0|2,0,1]=4 1790 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 512a_100000684558_100000700776 [0,1,0,0,0,0|2,0,1]=4 1791 B18R0.7792 C=CCCCNC(=O)NCCCCCCCCCC 512a_100000700776_100000684558 [0,1,0,0,0,0|2,0,1]=4 1792 B18R0.7792 C=CCCOCC(=O)OCCCCCCCCCC 34a_100011205117_100000210668 [0,1,0,0,0,0|1,0,2]=4 1793 B18R0.7792 C=CCNCOC(=O)CCCCCCCCCCC 2230a_100020586998_100020644155 [0,1,0,0,0,0|0,0,2]=3 1794 B18R0.7792 C=CCOCOC(=O)CCCCCCCCCCC 34a_200000210373_100020644155 [0,1,0,0,0,0|0,0,2]=3 1795 B18R0.7792 C=CCSCOC(=O)CCCCCCCCCCC 62a_100000210623_100020644155 [0,1,0,0,0,0|0,0,2]=3 1796 B18R0.7792 CC#CCOCC(=O)OCCCCCCCCCC 34a_100000761923_100000210668 [0,1,0,0,0,0|1,0,2]=4 1797 B18R0.7792 CC/C=C\CCCCCOCC(=O)OCCOCC 34a_100016268722_200000101388 [0,1,0,0,0,0|1,0,2]=4 1798 B18R0.7792 CC/C=C\CCCCCOCC(=O)OCCOCC 7a_100016268722_200000101388 [0,1,0,0,0,0|1,0,2]=4 1799 B18R0.7792 CCC#CCOC(C)CCCCCCCCCCC 34a_100011217895_100009813939 [0,1,0,0,0,0|1,0,2]=4 1800 B18R0.7792 CCC#CCOC(C)CCCCCCCCCCC 7a_100011217895_100009813939 [0,1,0,0,0,0|1,0,2]=4 1801 B18R0.7792 CCC/C=C/CC(=O)CCCCCCCCCCO 1458a_200016266809_100009813290 [0,1,0,0,0,0|2,0,1]=4 1802 B18R0.7792 CCC/C=C/CC(=O)NCCCCCCCCCC 11a_100000684558_200016266809 [0,1,0,0,0,0|2,0,1]=4 1803 B18R0.7792 CCC/C=C/CC(=O)NCCCCCCCCCC 1626a_100000684558_200016266809 [0,1,0,0,0,0|2,0,1]=4 1804 B18R0.7792 CCC/C=C/CC(=O)NCCCCCCCCCC 240690a_100000684558_200016266809 [0,1,0,0,0,0|2,0,1]=4 1805 B18R0.7792 CCC/C=C/CC(=O)NCCCCCCCCCC 527a_100000684558_200016266809 [0,1,0,0,0,0|2,0,1]=4 1806 B18R0.7792 CCCC=NNC(=O)CCCCCCCCCCC 4a_200011219152_100000185831 [0,1,0,0,0,0|1,0,1]=3 1807 B18R0.7792 CCCCC#CCCCSCC(=O)OCCOCC 62a_200000047210_200000101388 [0,1,0,0,0,0|1,0,2]=4 1808 B18R0.7792 CCCCC#CCCCSCC(=O)OCCOCC 62a_200000101388_200000047210 [0,1,0,0,0,0|1,0,2]=4 1809 B18R0.7792 CCCCC/C=C\CCOCC(=O)OCCOCC 34a_100016277358_200000101388 [0,1,0,0,0,0|1,0,2]=4 1810 B18R0.7792 CCCCC/C=C\CCOCC(=O)OCCOCC 7a_100016277358_200000101388 [0,1,0,0,0,0|1,0,2]=4 1811 B18R0.7792 CCCCC=CC(=O)CCCCCCCCCCO 1458a_100016266645_100009813290 [0,1,0,0,0,0|2,0,0]=3 1812 B18R0.7792 CCCCC=CC(=O)NCCCCCCCCCC 11a_100000684558_100016266645 [0,1,0,0,0,0|2,0,0]=3 1813 B18R0.7792 CCCCC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100016266645 [0,1,0,0,0,0|2,0,0]=3 1814 B18R0.7792 CCCCC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100016266645 [0,1,0,0,0,0|2,0,0]=3 1815 B18R0.7792 CCCCC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100016266645 [0,1,0,0,0,0|3,0,0]=4 1816 B18R0.7792 CCCCCC#CCCOCC(=O)OCCOCC 34a_200000042877_200000101388 [0,1,0,0,0,0|1,0,2]=4 1817 B18R0.7792 CCCCCC#CCCOCC(=O)OCCOCC 7a_200000042877_200000101388 [0,1,0,0,0,0|1,0,2]=4 1818 B18R0.7792 CCCCCC/C=C/COCC(=O)OCCOCC 34a_200016276170_200000101388 [0,1,0,0,0,0|1,0,2]=4 1819 B18R0.7792 CCCCCC/C=C/COCC(=O)OCCOCC 7a_200016276170_200000101388 [0,1,0,0,0,0|1,0,2]=4 1820 B18R0.7792 CCCCCCC#CCOCC(=O)OCCOCC 34a_200000037284_200000101388 [0,1,0,0,0,0|1,0,2]=4 1821 B18R0.7792 CCCCCCC#CCOCC(=O)OCCOCC 7a_200000037284_200000101388 [0,1,0,0,0,0|1,0,2]=4 1822 B18R0.7792 CCCCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100102632555 [0,1,0,0,0,0|3,0,0]=4 1823 B18R0.7792 CCCCCCCCCC=CC(=O)CCCCCF 1458a_200015352897_100000729378 [0,1,0,0,0,0|1,0,2]=4 1824 B18R0.7792 CCCCCCCCCC=CC(=O)CCCCCO 1458a_200015352897_100000746330 [0,1,0,0,0,0|1,0,2]=4 1825 B18R0.7792 CCCCCCCCCC=CC(=O)CCCCOC 1458a_200015352897_100000755781 [0,1,0,0,0,0|1,0,2]=4 1826 B18R0.7792 CCCCCCCCCC=CC(=O)CCCOCC 1458a_200015352897_100012232248 [0,1,0,0,0,0|1,0,2]=4 1827 B18R0.7792 CCCCCCCCCC=CC(=O)CCOCCC 1458a_200015352897_100011215938 [0,1,0,0,0,0|1,0,2]=4 1828 B18R0.7792 CCCCCCCCCC=CC(=O)COCCCC 1458a_200015352897_100011995733 [0,1,0,0,0,0|0,0,2]=3 1829 B18R0.7792 CCCCCCCCCC=CC(=O)NCCCCC 11a_100000209983_200015352897 [0,1,0,0,0,0|1,0,2]=4 1830 B18R0.7792 CCCCCCCCCC=CC(=O)NCCCCC 1626a_100000209983_200015352897 [0,1,0,0,0,0|1,0,2]=4 1831 B18R0.7792 CCCCCCCCCC=CC(=O)NCCCCC 240690a_100000209983_200015352897 [0,1,0,0,0,0|1,0,2]=4 1832 B18R0.7792 CCCCCCCCCC=CC(=O)NCCCCO 240690a_100000750430_200015352897 [0,1,0,0,0,0|1,0,2]=4 1833 B18R0.7792 CCCCCCCCCC=CC(=O)NCCCOC 1626a_100150723488_200015352897 [0,1,0,0,0,0|1,0,2]=4 1834 B18R0.7792 CCCCCCCCCC=CC(=O)NCCCOC 240690a_100150723488_200015352897 [0,1,0,0,0,0|1,0,2]=4 1835 B18R0.7792 CCCCCCCCCC=CC(=O)NCCCSC 11a_100000749238_200015352897 [0,1,0,0,0,0|1,0,2]=4 1836 B18R0.7792 CCCCCCCCCC=CC(=O)NCCCSC 1626a_100000749238_200015352897 [0,1,0,0,0,0|1,0,2]=4 1837 B18R0.7792 CCCCCCCCCC=CC(=O)NCCCSC 240690a_100000749238_200015352897 [0,1,0,0,0,0|1,0,2]=4 1838 B18R0.7792 CCCCCCCCCC=CC(=O)NCCOCC 11a_100011200944_200015352897 [0,1,0,0,0,0|1,0,2]=4 1839 B18R0.7792 CCCCCCCCCC=CC(=O)NCCOCC 1626a_102516460346_200015352897 [0,1,0,0,0,0|1,0,2]=4 1840 B18R0.7792 CCCCCCCCCC=CC(=O)NCCOCC 240690a_100011200944_200015352897 [0,1,0,0,0,0|1,0,2]=4 1841 B18R0.7792 CCCCCCCCCC=CC(=O)NCCSCC 11a_100000106463_200015352897 [0,1,0,0,0,0|1,0,2]=4 1842 B18R0.7792 CCCCCCCCCC=CC(=O)NCCSCC 1626a_100000106463_200015352897 [0,1,0,0,0,0|1,0,2]=4 1843 B18R0.7792 CCCCCCCCCC=CC(=O)NCCSCC 240690a_100000106463_200015352897 [0,1,0,0,0,0|1,0,2]=4 1844 B18R0.7792 CCCCCCCCCC=CC(=O)NNCCCC 22a_100025702795_200015352897 [0,1,0,0,0,0|1,0,2]=4 1845 B18R0.7792 CCCCCCCCCCCC(=NNCCCC)C 4a_100025702795_100011216755 [0,1,0,0,0,0|2,0,0]=3 1846 B18R0.7792 CCCCCCCCCCCC(=O)CCCCC#N 1458a_100000210736_100000211819 [0,1,0,0,0,0|1,0,1]=3 1847 B18R0.7792 CCCCCCCCCCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100011215454 [0,1,0,0,0,0|3,0,0]=4 1848 B18R0.7792 CCCCCCCCCCCC(=O)CCOCC#N 1458a_100000210736_200000047693 [0,1,0,0,0,0|2,0,1]=4 1849 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000210736 [0,1,0,0,0,0|1,0,0]=2 1850 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000210736 [0,1,0,0,0,0|1,0,0]=2 1851 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000210736 [0,1,0,0,0,0|1,0,0]=2 1852 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCO 240690a_100000750430_100000210736 [0,1,0,0,0,0|1,0,0]=2 1853 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC 1626a_100150723488_100000210736 [0,1,0,0,0,0|1,0,0]=2 1854 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC 240690a_100150723488_100000210736 [0,1,0,0,0,0|1,0,0]=2 1855 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 11a_100000749238_100000210736 [0,1,0,0,0,0|1,0,0]=2 1856 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 1626a_100000749238_100000210736 [0,1,0,0,0,0|1,0,0]=2 1857 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 240690a_100000749238_100000210736 [0,1,0,0,0,0|1,0,0]=2 1858 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 11a_100011200944_100000210736 [0,1,0,0,0,0|1,0,0]=2 1859 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 1626a_102516460346_100000210736 [0,1,0,0,0,0|1,0,0]=2 1860 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 240690a_100011200944_100000210736 [0,1,0,0,0,0|1,0,0]=2 1861 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 34a_100007860320_100000210202 [0,1,0,0,0,0|1,0,0]=2 1862 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 7a_100007860320_100000210202 [0,1,0,0,0,0|1,0,0]=2 1863 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCF 34a_100007860320_100015361967 [0,1,0,0,0,0|2,0,0]=3 1864 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCF 7a_100007860320_100015361967 [0,1,0,0,0,0|2,0,0]=3 1865 B18R0.7792 CCCCCCCCCCCC(=O)NCCSCC 11a_100000106463_100000210736 [0,1,0,0,0,0|1,0,0]=2 1866 B18R0.7792 CCCCCCCCCCCC(=O)NCCSCC 1626a_100000106463_100000210736 [0,1,0,0,0,0|1,0,0]=2 1867 B18R0.7792 CCCCCCCCCCCC(=O)NCCSCC 240690a_100000106463_100000210736 [0,1,0,0,0,0|1,0,0]=2 1868 B18R0.7792 CCCCCCCCCCCC(=O)NNCCC#N 22a_100000229987_100000210736 [0,1,0,0,0,0|2,0,1]=4 1869 B18R0.7792 CCCCCCCCCCCC(=O)NNCCCC 22a_100025702795_100000210736 [0,1,0,0,0,0|1,0,0]=2 1870 B18R0.7792 CCCCCCCCCCCC(=O)NNCCOC 22a_100000741390_100000210736 [0,1,0,0,0,0|2,0,0]=3 1871 B18R0.7792 CCCCCCCCCCCC(=O)OCCNCC 2230a_100015525214_100000091854 [0,1,0,0,0,0|0,0,0]=1 1872 B18R0.7792 CCCCCCCCCCCC(=O)OCCOCC 34a_100121572206_100000091854 [0,1,0,0,0,0|0,0,0]=1 1873 B18R0.7792 CCCCCCCCCCCC(=O)OCCSCC 62a_100000210202_100000091854 [0,1,0,0,0,0|0,0,0]=1 1874 B18R0.7792 CCCCCCCCCCCC(=O)OCCSCF 62a_100015361967_100000091854 [0,1,0,0,0,0|1,0,0]=2 1875 B18R0.7792 CCCCCCCCCCCC(=O)OCNCCF 34a_100000724931_100020644155 [0,1,0,0,0,0|1,0,0]=2 1876 B18R0.7792 CCCCCCCCCCCC(=O)OCNCCO 2230a_100016997473_100020644155 [0,1,0,0,0,0|1,0,0]=2 1877 B18R0.7792 CCCCCCCCCCCC(=O)OCNCCO 34a_100016990907_100020644155 [0,1,0,0,0,0|1,0,0]=2 1878 B18R0.7792 CCCCCCCCCCCC(=O)OCOCCBr 34a_100000211926_100020644155 [0,1,0,0,0,0|1,0,0]=2 1879 B18R0.7792 CCCCCCCCCCCC(=O)OCOCCC 34a_100000210258_100020644155 [0,1,0,0,0,0|0,0,0]=1 1880 B18R0.7792 CCCCCCCCCCCC(=O)OCOCCN 34a_100000210304_100020644155 [0,1,0,0,0,0|1,0,0]=2 1881 B18R0.7792 CCCCCCCCCCCC(=O)OCSCC#N 62a_100011215382_100020644155 [0,1,0,0,0,0|1,0,1]=3 1882 B18R0.7792 CCCCCCCCCCCC(=O)OCSCC=O 62a_200015260668_100020644155 [0,1,0,0,0,0|1,0,1]=3 1883 B18R0.7792 CCCCCCCCCCCC(=O)OCSCCC 62a_100000210303_100020644155 [0,1,0,0,0,0|0,0,0]=1 1884 B18R0.7792 CCCCCCCCCCCC(=O)OCSCCF 62a_100011217306_100020644155 [0,1,0,0,0,0|1,0,0]=2 1885 B18R0.7792 CCCCCCCCCCCC(=O)OCSCCO 62a_100000211926_100020644155 [0,1,0,0,0,0|1,0,0]=2 1886 B18R0.7792 CCCCCCCCCCCC(=O)OCSCOC 62a_100000766300_100020644155 [0,1,0,0,0,0|1,0,0]=2 1887 B18R0.7792 CCCCCCCCCCCC(=O)OCSCSC 62a_100011218213_100020644155 [0,1,0,0,0,0|1,0,0]=2 1888 B18R0.7792 CCCCCCCCCCCC(C)OCCCC#N 7a_100011217895_100000687738 [0,1,0,0,0,0|1,0,2]=4 1889 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCC 11a_100000684558_100102632555 [0,1,0,0,0,0|2,0,0]=3 1890 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCC 1626a_100000684558_100102632555 [0,1,0,0,0,0|2,0,0]=3 1891 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCC 240690a_100000684558_100102632555 [0,1,0,0,0,0|2,0,0]=3 1892 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCC 527a_100000684558_100102632555 [0,1,0,0,0,0|2,0,0]=3 1893 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCO 240690a_100000684558_100102619762 [0,1,0,0,0,0|2,0,0]=3 1894 B18R0.7792 CCCCCCCCCCNC(=O)CCOCCO 1626a_100000684558_100011229844 [0,1,0,0,0,0|3,0,0]=4 1895 B18R0.7792 CCCCCCCCCCNC(=O)CCOCCO 240690a_100000684558_100011229844 [0,1,0,0,0,0|3,0,0]=4 1896 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 11a_100000684558_100000757543 [0,1,0,0,0,0|1,0,0]=2 1897 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 1626a_100000684558_100000757543 [0,1,0,0,0,0|1,0,0]=2 1898 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 240690a_100000684558_100000757543 [0,1,0,0,0,0|1,0,0]=2 1899 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 527a_100000684558_100000757543 [0,1,0,0,0,0|1,0,0]=2 1900 B18R0.7792 CCCCCCCCCCNC(=O)COCCOC 11a_100000684558_100000211095 [0,1,0,0,0,0|2,0,0]=3 1901 B18R0.7792 CCCCCCCCCCNC(=O)COCCOC 1626a_100000684558_100000211095 [0,1,0,0,0,0|2,0,0]=3 1902 B18R0.7792 CCCCCCCCCCNC(=O)COCCOC 240690a_100000684558_100000211095 [0,1,0,0,0,0|2,0,0]=3 1903 B18R0.7792 CCCCCCCCCCNC(=O)COCCOC 527a_100000684558_100000211095 [0,1,0,0,0,0|2,0,0]=3 1904 B18R0.7792 CCCCCCCCCCNC(=O)CSCCCC 11a_100000684558_100000191162 [0,1,0,0,0,0|1,1,0]=3 1905 B18R0.7792 CCCCCCCCCCNC(=O)CSCCCC 1626a_100000684558_100000191162 [0,1,0,0,0,0|1,1,0]=3 1906 B18R0.7792 CCCCCCCCCCNC(=O)CSCCCC 240690a_100000684558_100000191162 [0,1,0,0,0,0|1,1,0]=3 1907 B18R0.7792 CCCCCCCCCCNC(=O)CSCCCC 527a_100000684558_100000191162 [0,1,0,0,0,0|1,1,0]=3 1908 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 2708a_100000209983_100000684558 [0,1,0,0,0,0|2,0,0]=3 1909 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 2708a_100000684558_100000209983 [0,1,0,0,0,0|2,0,0]=3 1910 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 273464a_100000209983_100000684558 [0,1,0,0,0,0|2,0,0]=3 1911 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 273464a_100000684558_100000209983 [0,1,0,0,0,0|2,0,0]=3 1912 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 512a_100000209983_100000684558 [0,1,0,0,0,0|2,0,0]=3 1913 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 512a_100000684558_100000209983 [0,1,0,0,0,0|2,0,0]=3 1914 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 2708a_100000684558_100000750430 [0,1,0,0,0,0|2,0,0]=3 1915 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 2708a_100000750430_100000684558 [0,1,0,0,0,0|2,0,0]=3 1916 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 273464a_100000684558_100000750430 [0,1,0,0,0,0|2,0,0]=3 1917 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 273464a_100000750430_100000684558 [0,1,0,0,0,0|2,0,0]=3 1918 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 512a_100000684558_100000750430 [0,1,0,0,0,0|2,0,0]=3 1919 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 512a_100000750430_100000684558 [0,1,0,0,0,0|2,0,0]=3 1920 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 2708a_100000684558_100150723488 [0,1,0,0,0,0|2,0,0]=3 1921 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 2708a_100150723488_100000684558 [0,1,0,0,0,0|2,0,0]=3 1922 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 273464a_100000684558_100150723488 [0,1,0,0,0,0|2,0,0]=3 1923 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 273464a_100150723488_100000684558 [0,1,0,0,0,0|2,0,0]=3 1924 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 512a_100000684558_100150723488 [0,1,0,0,0,0|2,0,0]=3 1925 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 2708a_100000684558_100000749238 [0,1,0,0,0,0|2,0,0]=3 1926 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 2708a_100000749238_100000684558 [0,1,0,0,0,0|2,0,0]=3 1927 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 273464a_100000684558_100000749238 [0,1,0,0,0,0|2,0,0]=3 1928 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 273464a_100000749238_100000684558 [0,1,0,0,0,0|2,0,0]=3 1929 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 512a_100000684558_100000749238 [0,1,0,0,0,0|2,0,0]=3 1930 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 512a_100000749238_100000684558 [0,1,0,0,0,0|2,0,0]=3 1931 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 2708a_100000684558_100011200944 [0,1,0,0,0,0|2,0,0]=3 1932 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 2708a_100011200944_100000684558 [0,1,0,0,0,0|2,0,0]=3 1933 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 273464a_100000684558_102516460346 [0,1,0,0,0,0|2,0,0]=3 1934 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 273464a_102516460346_100000684558 [0,1,0,0,0,0|2,0,0]=3 1935 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 512a_100000684558_100011200944 [0,1,0,0,0,0|2,0,0]=3 1936 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 512a_100011200944_100000684558 [0,1,0,0,0,0|2,0,0]=3 1937 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 2708a_100000106463_100000684558 [0,1,0,0,0,0|2,0,0]=3 1938 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 2708a_100000684558_100000106463 [0,1,0,0,0,0|2,0,0]=3 1939 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 273464a_100000106463_100000684558 [0,1,0,0,0,0|2,0,0]=3 1940 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 273464a_100000684558_100000106463 [0,1,0,0,0,0|2,0,0]=3 1941 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 512a_100000106463_100000684558 [0,1,0,0,0,0|2,0,0]=3 1942 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 512a_100000684558_100000106463 [0,1,0,0,0,0|2,0,0]=3 1943 B18R0.7792 CCCCCCCCCCNC(=O)NNCCCC 273464a_100000684558_100025702795 [0,1,0,0,0,0|2,0,0]=3 1944 B18R0.7792 CCCCCCCCCCNC(=O)NNCCCC 512a_100000684558_100025702795 [0,1,0,0,0,0|2,0,0]=3 1945 B18R0.7792 CCCCCCCCCCNC(=O)NNCCCC 512a_100025702795_100000684558 [0,1,0,0,0,0|2,0,0]=3 1946 B18R0.7792 CCCCCCCCCCNC(=O)NNCCOC 273464a_100000684558_100000741390 [0,1,0,0,0,0|3,0,0]=4 1947 B18R0.7792 CCCCCCCCCCOC(=O)CNCCCC 2230a_100000102301_100000210668 [0,1,0,0,0,0|2,0,0]=3 1948 B18R0.7792 CCCCCCCCCCOC(=O)CNCCCC 7a_106832991798_100000210668 [0,1,0,0,0,0|2,0,0]=3 1949 B18R0.7792 CCCCCCCCCCOC(=O)CNCCCF 2230a_100015189416_100000210668 [0,1,0,0,0,0|3,0,0]=4 1950 B18R0.7792 CCCCCCCCCCOC(=O)CNCCCF 34a_100015189416_100000210668 [0,1,0,0,0,0|3,0,0]=4 1951 B18R0.7792 CCCCCCCCCCOC(=O)CNCCOC 2230a_100000209980_100000210668 [0,1,0,0,0,0|3,0,0]=4 1952 B18R0.7792 CCCCCCCCCCOC(=O)CNCCSC 2230a_100020590264_100000210668 [0,1,0,0,0,0|3,0,0]=4 1953 B18R0.7792 CCCCCCCCCCOC(=O)COCCCBr 34a_100011217188_100000210668 [0,1,0,0,0,0|2,0,0]=3 1954 B18R0.7792 CCCCCCCCCCOC(=O)COCCCC 34a_100000210227_100000210668 [0,1,0,0,0,0|1,0,0]=2 1955 B18R0.7792 CCCCCCCCCCOC(=O)COCCCC 7a_100000210227_100000210668 [0,1,0,0,0,0|1,0,0]=2 1956 B18R0.7792 CCCCCCCCCCOC(=O)COCCCCl 34a_100000230001_100000210668 [0,1,0,0,0,0|2,0,0]=3 1957 B18R0.7792 CCCCCCCCCCOC(=O)COCCCF 34a_100000759539_100000210668 [0,1,0,0,0,0|2,0,0]=3 1958 B18R0.7792 CCCCCCCCCCOC(=O)COCCCN 34a_100000182051_100000210668 [0,1,0,0,0,0|2,0,0]=3 1959 B18R0.7792 CCCCCCCCCCOC(=O)COCCOC 34a_100000210237_100000210668 [0,1,0,0,0,0|2,0,0]=3 1960 B18R0.7792 CCCCCCCCCCOC(=O)COCCON 34a_100000700252_100000210668 [0,1,0,0,0,0|3,0,0]=4 1961 B18R0.7792 CCCCCCCCCCOC(=O)COCCSC 34a_100000230434_100000210668 [0,1,0,0,0,0|2,0,0]=3 1962 B18R0.7792 CCCCCCCCCCOC(=O)COCCSC 7a_100000230434_100000210668 [0,1,0,0,0,0|2,0,0]=3 1963 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCC 62a_100000210211_100000680656 [0,1,0,0,0,0|1,1,0]=3 1964 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCC 62a_100000680656_100000210210 [0,1,0,0,0,0|1,1,0]=3 1965 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCF 62a_100000680656_100011934791 [0,1,0,0,0,0|2,1,0]=4 1966 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCF 62a_100011934791_100000680656 [0,1,0,0,0,0|2,1,0]=4 1967 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCO 62a_100000680656_100011215043 [0,1,0,0,0,0|2,1,0]=4 1968 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCO 62a_100011215043_100000680656 [0,1,0,0,0,0|2,1,0]=4 1969 B18R0.7792 CCCCCCCCCCOC(=O)CSCCOC 62a_100000233755_100000680656 [0,1,0,0,0,0|2,1,0]=4 1970 B18R0.7792 CCCCCCCCCCOC(=O)CSCCOC 62a_100000680656_100000233755 [0,1,0,0,0,0|2,1,0]=4 1971 B18R0.7792 CCCCCCCCCCOC(=O)CSCCSC 62a_100000212216_100000680656 [0,1,0,0,0,0|2,1,0]=4 1972 B18R0.7792 CCCCCCCCCCOC(=O)CSCCSC 62a_100000680656_100000751147 [0,1,0,0,0,0|2,1,0]=4 1973 B18R0.7792 CCCCCCCCCCOC(=O)CSCOCC 62a_100000680656_100000739092 [0,1,0,0,0,0|2,1,0]=4 1974 B18R0.7792 CCCCCCCCCCOC(=O)CSCOCC 62a_100000739092_100000680656 [0,1,0,0,0,0|2,1,0]=4 1975 B18R0.7792 CCCCCCCCCNCC(=O)NCCCCC 2230a_100000212291_100000230301 [0,1,0,0,0,0|2,0,0]=3 1976 B18R0.7792 CCCCCCCCCNCC(=O)NCCCCC 34a_100000212291_100000230301 [0,1,0,0,0,0|2,0,0]=3 1977 B18R0.7792 CCCCCCCCCNCC(=O)NCCCOC 2230a_100000212291_100000183178 [0,1,0,0,0,0|2,0,0]=3 1978 B18R0.7792 CCCCCCCCCNCC(=O)NCCCOC 34a_100000212291_100000183178 [0,1,0,0,0,0|2,0,0]=3 1979 B18R0.7792 CCCCCCCCCNCC(=O)OCCOCC 2230a_100000212291_200000101388 [0,1,0,0,0,0|1,0,0]=2 1980 B18R0.7792 CCCCCCCCCNCC(=O)OCCOCC 34a_100000212291_200000101388 [0,1,0,0,0,0|1,0,0]=2 1981 B18R0.7792 CCCCCCCCCOCC(=O)NCCCCC 34a_100000210712_100000230301 [0,1,0,0,0,0|2,0,0]=3 1982 B18R0.7792 CCCCCCCCCOCC(=O)NCCCCC 7a_100000210712_100000230301 [0,1,0,0,0,0|2,0,0]=3 1983 B18R0.7792 CCCCCCCCCOCC(=O)NCCCOC 34a_100000210712_100000183178 [0,1,0,0,0,0|2,0,0]=3 1984 B18R0.7792 CCCCCCCCCOCC(=O)NCCCOC 7a_100000210712_100000183178 [0,1,0,0,0,0|2,0,0]=3 1985 B18R0.7792 CCCCCCCCCOCC(=O)OCCOCC 34a_100000210712_200000101388 [0,1,0,0,0,0|1,0,0]=2 1986 B18R0.7792 CCCCCCCCCOCC(=O)OCCOCC 7a_100000210712_200000101388 [0,1,0,0,0,0|1,0,0]=2 1987 B18R0.7792 CCCCCCCCCSCC(=O)NCCCCC 62a_100000230301_100000210670 [0,1,0,0,0,0|2,0,0]=3 1988 B18R0.7792 CCCCCCCCCSCC(=O)NCCCOC 62a_100000183178_100000210670 [0,1,0,0,0,0|2,0,0]=3 1989 B18R0.7792 CCCCCCCCCSCC(=O)OCCOCC 62a_200000101388_100000210670 [0,1,0,0,0,0|1,0,0]=2 1990 B18R0.7792 CCCCCCOCCOCC(=O)NCCCCC 34a_100000691444_100000230301 [0,1,0,0,0,0|3,0,0]=4 1991 B18R0.7792 CCCCCCOCCOCC(=O)NCCCCC 7a_100000691444_100000230301 [0,1,0,0,0,0|3,0,0]=4 1992 B18R0.7792 CCCCCCOCCOCC(=O)NCCCOC 34a_100000691444_100000183178 [0,1,0,0,0,0|3,0,0]=4 1993 B18R0.7792 CCCCCCOCCOCC(=O)NCCCOC 7a_100000691444_100000183178 [0,1,0,0,0,0|3,0,0]=4 1994 B18R0.7792 CCCCCCOCCOCC(=O)OCCOCC 34a_100000691444_200000101388 [0,1,0,0,0,0|2,0,0]=3 1995 B18R0.7792 CCCCCCOCCOCC(=O)OCCOCC 7a_100000691444_200000101388 [0,1,0,0,0,0|2,0,0]=3 1996 B18R0.7792 CCCCCNC(=O)CCCCCCCCCCO 240690a_100000209983_200000016029 [0,1,0,0,0,0|2,0,0]=3 1997 B18R0.7792 CCCCCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000230301 [0,1,0,0,0,0|3,0,0]=4 1998 B18R0.7792 CCCCCNC(=O)CNCCCCCCCCO 34a_102515433106_100000230301 [0,1,0,0,0,0|3,0,0]=4 1999 B18R0.7792 CCCCCNC(=O)COCCCCCCCCBr 34a_100009813846_100000230301 [0,1,0,0,0,0|3,0,0]=4 2000 B18R0.7792 CCCCCNC(=O)COCCCCCCCCBr 7a_100009813846_100000230301 [0,1,0,0,0,0|3,0,0]=4 2001 B18R0.7792 CCCCCNC(=O)COCCCCCCCCCl 34a_100000033203_100000230301 [0,1,0,0,0,0|3,0,0]=4 2002 B18R0.7792 CCCCCNC(=O)COCCCCCCCCCl 7a_100000033203_100000230301 [0,1,0,0,0,0|3,0,0]=4 2003 B18R0.7792 CCCCCNC(=O)COCCCCCCCCN 34a_102515433106_100000230301 [0,1,0,0,0,0|3,0,0]=4 2004 B18R0.7792 CCCCCNC(=O)COCCCCNCCCC 34a_200011216965_100000230301 [0,1,0,0,0,0|3,0,0]=4 2005 B18R0.7792 CCCCCNC(=O)COCCCCOCCCC 34a_200000760531_100000230301 [0,1,0,0,0,0|3,0,0]=4 2006 B18R0.7792 CCCCCNC(=O)COCCCCOCCCC 7a_200000760531_100000230301 [0,1,0,0,0,0|3,0,0]=4 2007 B18R0.7792 CCCCCNC(=O)CSCCCCCCCCO 62a_100000033203_100000230301 [0,1,0,0,0,0|3,0,0]=4 2008 B18R0.7792 CCCCCNC(=O)CSCCCCCCCCO 62a_100000230301_100000033203 [0,1,0,0,0,0|3,0,0]=4 2009 B18R0.7792 CCCCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000209983 [0,1,0,0,0,0|3,0,0]=4 2010 B18R0.7792 CCCCCNC(=O)NCCCCCCCCCO 2708a_100000209983_100000078944 [0,1,0,0,0,0|3,0,0]=4 2011 B18R0.7792 CCCCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000209983 [0,1,0,0,0,0|3,0,0]=4 2012 B18R0.7792 CCCCCNC(=O)NCCCCCCCCCO 273464a_100000209983_100000078944 [0,1,0,0,0,0|3,0,0]=4 2013 B18R0.7792 CCCCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000209983 [0,1,0,0,0,0|3,0,0]=4 2014 B18R0.7792 CCCCCNC(=O)NCCCCCCCCCO 512a_100000209983_100000078944 [0,1,0,0,0,0|3,0,0]=4 2015 B18R0.7792 CCCCNCCCCOCC(=O)NCCCOC 34a_200011216965_100000183178 [0,1,0,0,0,0|3,0,0]=4 2016 B18R0.7792 CCCCNCCCCOCC(=O)OCCOCC 34a_200011216965_200000101388 [0,1,0,0,0,0|2,0,0]=3 2017 B18R0.7792 CCCCNNC(=O)CCCCCCCCCCO 22a_100025702795_200000016029 [0,1,0,0,0,0|2,0,0]=3 2018 B18R0.7792 CCCCNNC(=O)NCCCCCCCCCO 273464a_100000078944_100025702795 [0,1,0,0,0,0|3,0,0]=4 2019 B18R0.7792 CCCCNNC(=O)NCCCCCCCCCO 512a_100000078944_100025702795 [0,1,0,0,0,0|3,0,0]=4 2020 B18R0.7792 CCCCNNC(=O)NCCCCCCCCCO 512a_100025702795_100000078944 [0,1,0,0,0,0|3,0,0]=4 2021 B18R0.7792 CCCCOCC(=O)NCCCCCCCCCO 240690a_100000078944_100000757543 [0,1,0,0,0,0|2,0,0]=3 2022 B18R0.7792 CCCCOCCCCOCC(=O)NCCCOC 34a_200000760531_100000183178 [0,1,0,0,0,0|3,0,0]=4 2023 B18R0.7792 CCCCOCCCCOCC(=O)NCCCOC 7a_200000760531_100000183178 [0,1,0,0,0,0|3,0,0]=4 2024 B18R0.7792 CCCCOCCCCOCC(=O)OCCOCC 34a_200000760531_200000101388 [0,1,0,0,0,0|2,0,0]=3 2025 B18R0.7792 CCCCOCCCCOCC(=O)OCCOCC 7a_200000760531_200000101388 [0,1,0,0,0,0|2,0,0]=3 2026 B18R0.7792 CCCCSCC(=O)NCCCCCCCCCO 240690a_100000078944_100000191162 [0,1,0,0,0,0|2,1,0]=4 2027 B18R0.7792 CCCOCCOCCNCC(=O)OCCOCC 2230a_200011904461_200000101388 [0,1,0,0,0,0|3,0,0]=4 2028 B18R0.7792 CCCOCCOCCNCC(=O)OCCOCC 34a_200011904461_200000101388 [0,1,0,0,0,0|3,0,0]=4 2029 B18R0.7792 CCOCCNC(=O)CCCCCCCCCCO 240690a_100011200944_200000016029 [0,1,0,0,0,0|2,0,0]=3 2030 B18R0.7792 CCOCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100011200944 [0,1,0,0,0,0|3,0,0]=4 2031 B18R0.7792 CCOCCNC(=O)NCCCCCCCCCO 2708a_100011200944_100000078944 [0,1,0,0,0,0|3,0,0]=4 2032 B18R0.7792 CCOCCNC(=O)NCCCCCCCCCO 273464a_100000078944_102516460346 [0,1,0,0,0,0|3,0,0]=4 2033 B18R0.7792 CCOCCNC(=O)NCCCCCCCCCO 273464a_102516460346_100000078944 [0,1,0,0,0,0|3,0,0]=4 2034 B18R0.7792 CCOCCNC(=O)NCCCCCCCCCO 512a_100000078944_100011200944 [0,1,0,0,0,0|3,0,0]=4 2035 B18R0.7792 CCOCCNC(=O)NCCCCCCCCCO 512a_100011200944_100000078944 [0,1,0,0,0,0|3,0,0]=4 2036 B18R0.7792 CCOCCOC(=O)CNCCCCCCCCO 2230a_102515433106_200000101388 [0,1,0,0,0,0|2,0,0]=3 2037 B18R0.7792 CCOCCOC(=O)CNCCCCCCCCO 34a_102515433106_200000101388 [0,1,0,0,0,0|2,0,0]=3 2038 B18R0.7792 CCOCCOC(=O)COCCCCCCCCBr 34a_100009813846_200000101388 [0,1,0,0,0,0|2,0,0]=3 2039 B18R0.7792 CCOCCOC(=O)COCCCCCCCCBr 7a_100009813846_200000101388 [0,1,0,0,0,0|2,0,0]=3 2040 B18R0.7792 CCOCCOC(=O)COCCCCCCCCCl 34a_100000033203_200000101388 [0,1,0,0,0,0|2,0,0]=3 2041 B18R0.7792 CCOCCOC(=O)COCCCCCCCCCl 7a_100000033203_200000101388 [0,1,0,0,0,0|2,0,0]=3 2042 B18R0.7792 CCOCCOC(=O)COCCCCCCCCN 34a_102515433106_200000101388 [0,1,0,0,0,0|2,0,0]=3 2043 B18R0.7792 CCOCCOC(=O)COCCCCCNCCN 34a_103619048469_200000101388 [0,1,0,0,0,0|3,0,0]=4 2044 B18R0.7792 CCOCCOC(=O)COCCCOCCCOC 34a_200011215475_200000101388 [0,1,0,0,0,0|3,0,0]=4 2045 B18R0.7792 CCOCCOC(=O)COCCCOCCCOC 7a_200011215475_200000101388 [0,1,0,0,0,0|3,0,0]=4 2046 B18R0.7792 CCOCCOC(=O)CSCCCCCCCCO 62a_100000033203_200000101388 [0,1,0,0,0,0|2,0,0]=3 2047 B18R0.7792 CCOCCOC(=O)CSCCCCCCCCO 62a_200000101388_100000033203 [0,1,0,0,0,0|2,0,0]=3 2048 B18R0.7792 CCSCCNC(=O)CCCCCCCCCCO 240690a_100000106463_200000016029 [0,1,0,0,0,0|2,0,0]=3 2049 B18R0.7792 CCSCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000106463 [0,1,0,0,0,0|3,0,0]=4 2050 B18R0.7792 CCSCCNC(=O)NCCCCCCCCCO 2708a_100000106463_100000078944 [0,1,0,0,0,0|3,0,0]=4 2051 B18R0.7792 CCSCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000106463 [0,1,0,0,0,0|3,0,0]=4 2052 B18R0.7792 CCSCCNC(=O)NCCCCCCCCCO 273464a_100000106463_100000078944 [0,1,0,0,0,0|3,0,0]=4 2053 B18R0.7792 CCSCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000106463 [0,1,0,0,0,0|3,0,0]=4 2054 B18R0.7792 CCSCCNC(=O)NCCCCCCCCCO 512a_100000106463_100000078944 [0,1,0,0,0,0|3,0,0]=4 2055 B18R0.7792 COCCCNC(=O)CCCCCCCCCCO 240690a_100150723488_200000016029 [0,1,0,0,0,0|2,0,0]=3 2056 B18R0.7792 COCCCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183178 [0,1,0,0,0,0|3,0,0]=4 2057 B18R0.7792 COCCCNC(=O)CNCCCCCCCCO 34a_102515433106_100000183178 [0,1,0,0,0,0|3,0,0]=4 2058 B18R0.7792 COCCCNC(=O)COCCCCCCCCBr 34a_100009813846_100000183178 [0,1,0,0,0,0|3,0,0]=4 2059 B18R0.7792 COCCCNC(=O)COCCCCCCCCBr 7a_100009813846_100000183178 [0,1,0,0,0,0|3,0,0]=4 2060 B18R0.7792 COCCCNC(=O)COCCCCCCCCCl 34a_100000033203_100000183178 [0,1,0,0,0,0|3,0,0]=4 2061 B18R0.7792 COCCCNC(=O)COCCCCCCCCCl 7a_100000033203_100000183178 [0,1,0,0,0,0|3,0,0]=4 2062 B18R0.7792 COCCCNC(=O)COCCCCCCCCN 34a_102515433106_100000183178 [0,1,0,0,0,0|3,0,0]=4 2063 B18R0.7792 COCCCNC(=O)CSCCCCCCCCO 62a_100000183178_100000033203 [0,1,0,0,0,0|3,0,0]=4 2064 B18R0.7792 COCCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100150723488 [0,1,0,0,0,0|3,0,0]=4 2065 B18R0.7792 COCCCNC(=O)NCCCCCCCCCO 2708a_100150723488_100000078944 [0,1,0,0,0,0|3,0,0]=4 2066 B18R0.7792 COCCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100150723488 [0,1,0,0,0,0|3,0,0]=4 2067 B18R0.7792 COCCCNC(=O)NCCCCCCCCCO 273464a_100150723488_100000078944 [0,1,0,0,0,0|3,0,0]=4 2068 B18R0.7792 COCCCNC(=O)NCCCCCCCCCO 512a_100000078944_100150723488 [0,1,0,0,0,0|3,0,0]=4 2069 B18R0.7792 COCCNNC(=O)CCCCCCCCCCO 22a_100000741390_200000016029 [0,1,0,0,0,0|3,0,0]=4 2070 B18R0.7792 COCCOCC(=O)NCCCCCCCCCO 240690a_100000078944_100000211095 [0,1,0,0,0,0|3,0,0]=4 2071 B18R0.7792 CSCCCNC(=O)CCCCCCCCCCO 240690a_100000749238_200000016029 [0,1,0,0,0,0|2,0,0]=3 2072 B18R0.7792 CSCCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000749238 [0,1,0,0,0,0|3,0,0]=4 2073 B18R0.7792 CSCCCNC(=O)NCCCCCCCCCO 2708a_100000749238_100000078944 [0,1,0,0,0,0|3,0,0]=4 2074 B18R0.7792 CSCCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000749238 [0,1,0,0,0,0|3,0,0]=4 2075 B18R0.7792 CSCCCNC(=O)NCCCCCCCCCO 273464a_100000749238_100000078944 [0,1,0,0,0,0|3,0,0]=4 2076 B18R0.7792 CSCCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000749238 [0,1,0,0,0,0|3,0,0]=4 2077 B18R0.7792 CSCCCNC(=O)NCCCCCCCCCO 512a_100000749238_100000078944 [0,1,0,0,0,0|3,0,0]=4 2078 B18R0.7792 O=C(CCCCCCCCCCO)NCCCCO 240690a_100000750430_200000016029 [0,1,0,0,0,0|2,0,0]=3 2079 B18R0.7792 O=C(CCCCCO)NCCCCCCCCCO 240690a_100000078944_100102619762 [0,1,0,0,0,0|3,0,0]=4 2080 B18R0.7792 O=C(NCCCCO)NCCCCCCCCCO 2708a_100000078944_100000750430 [0,1,0,0,0,0|3,0,0]=4 2081 B18R0.7792 O=C(NCCCCO)NCCCCCCCCCO 2708a_100000750430_100000078944 [0,1,0,0,0,0|3,0,0]=4 2082 B18R0.7792 O=C(NCCCCO)NCCCCCCCCCO 273464a_100000078944_100000750430 [0,1,0,0,0,0|3,0,0]=4 2083 B18R0.7792 O=C(NCCCCO)NCCCCCCCCCO 273464a_100000750430_100000078944 [0,1,0,0,0,0|3,0,0]=4 2084 B18R0.7792 O=C(NCCCCO)NCCCCCCCCCO 512a_100000078944_100000750430 [0,1,0,0,0,0|3,0,0]=4 2085 B18R0.7792 O=C(NCCCCO)NCCCCCCCCCO 512a_100000750430_100000078944 [0,1,0,0,0,0|3,0,0]=4 2086 B18R0.7795 C#CC(=O)COC(=O)CCCCCCCCCCC 1458a_100000211873_100020644155 [0,1,0,0,0,0|0,0,3]=4 2087 B18R0.7795 C=CC(=O)COC(=O)CCCCCCCCCCC 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[0,1,0,0,0,0|3,0,0]=4 2098 B18R0.7795 CCC(C)NNC(=O)CCCCCCCCCCO 22a_100000718999_200000016029 [0,1,0,0,0,0|3,0,0]=4 2099 B18R0.7795 CCC(O)CCC(=O)NCCCCCCCCCO 240690a_100000078944_203496584001 [0,1,0,0,0,0|3,0,0]=4 2100 B18R0.7795 CCC(O)CNC(=O)CCCCCCCCCCO 240690a_100011218483_200000016029 [0,1,0,0,0,0|2,0,0]=3 2101 B18R0.7795 CCC(O)CNC(=O)NCCCCCCCCCO 2708a_100000078944_100011218483 [0,1,0,0,0,0|3,0,0]=4 2102 B18R0.7795 CCC(O)CNC(=O)NCCCCCCCCCO 273464a_100000078944_100011218483 [0,1,0,0,0,0|3,0,0]=4 2103 B18R0.7795 CCC(O)CNC(=O)NCCCCCCCCCO 273464a_100011218483_100000078944 [0,1,0,0,0,0|3,0,0]=4 2104 B18R0.7795 CCC(O)CNC(=O)NCCCCCCCCCO 512a_100011218483_100000078944 [0,1,0,0,0,0|3,0,0]=4 2105 B18R0.7795 CCCCCCCCCC=CC(=O)NCC(C)CC 11a_100020588543_200015352897 [0,1,0,0,0,0|1,0,2]=4 2106 B18R0.7795 CCCCCCCCCC=CC(=O)NCC(C)CC 1626a_100020588543_200015352897 [0,1,0,0,0,0|1,0,2]=4 2107 B18R0.7795 CCCCCCCCCC=CC(=O)NCC(C)CC 240690a_100020588543_200015352897 [0,1,0,0,0,0|1,0,2]=4 2108 B18R0.7795 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[0,1,0,0,0,0|1,0,0]=2 2129 B18R0.7795 CCCCCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100000210736 [0,1,0,0,0,0|1,0,0]=2 2130 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210736 [0,1,0,0,0,0|2,0,0]=3 2131 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210736 [0,1,0,0,0,0|2,0,0]=3 2132 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210736 [0,1,0,0,0,0|2,0,0]=3 2133 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210736 [0,1,0,0,0,0|2,0,0]=3 2134 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210736 [0,1,0,0,0,0|2,0,0]=3 2135 B18R0.7795 CCCCCCCCCCCC(=O)NNC(=O)CC 22a_100000183195_100000210736 [0,1,0,0,0,0|2,0,1]=4 2136 B18R0.7795 CCCCCCCCCCCC(=O)NNC(C)CC 22a_100000718999_100000210736 [0,1,0,0,0,0|2,0,0]=3 2137 B18R0.7795 CCCCCCCCCCCC(=O)OCC(=O)CC 1458a_100000210414_100020644155 [0,1,0,0,0,0|0,0,1]=2 2138 B18R0.7795 CCCCCCCCCCCC(=O)OCC(=O)CO 1458a_100000210174_100020644155 [0,1,0,0,0,0|1,0,1]=3 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7a_100011217895_100000059175 [0,1,0,0,0,0|2,0,1]=4 2150 B18R0.7795 CCCCCCCCCCCC(C)OC[C@@H](O)CF 34a_100011217895_100015614560 [0,1,0,0,0,0|2,0,1]=4 2151 B18R0.7795 CCCCCCCCCCCC(C)OC[C@@H](O)CF 7a_100011217895_100015614560 [0,1,0,0,0,0|2,0,1]=4 2152 B18R0.7795 CCCCCCCCCCCC(C)OC[C@@H](O)CO 34a_100011217895_100009815848 [0,1,0,0,0,0|2,0,1]=4 2153 B18R0.7795 CCCCCCCCCCCC(C)OC[C@@H](O)CO 7a_100011217895_100009815848 [0,1,0,0,0,0|2,0,1]=4 2154 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 11a_100000684558_100000701222 [0,1,0,0,0,0|2,0,0]=3 2155 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 1626a_100000684558_100000701222 [0,1,0,0,0,0|2,0,0]=3 2156 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 240690a_100000684558_100000701222 [0,1,0,0,0,0|2,0,0]=3 2157 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 527a_100000684558_100000701222 [0,1,0,0,0,0|2,0,0]=3 2158 B18R0.7795 CCCCCCCCCCNC(=O)CCC(O)CC 1626a_100000684558_203496584001 [0,1,0,0,0,0|2,0,0]=3 2159 B18R0.7795 CCCCCCCCCCNC(=O)CCC(O)CC 240690a_100000684558_203496584001 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CCCCCCCCCCNC(=O)NCC(C)CC 512a_100020588543_100000684558 [0,1,0,0,0,0|2,0,0]=3 2171 B18R0.7795 CCCCCCCCCCNC(=O)NCC(C)CO 2708a_100000684558_100000744482 [0,1,0,0,0,0|3,0,0]=4 2172 B18R0.7795 CCCCCCCCCCNC(=O)NCC(C)CO 273464a_100000684558_100000744482 [0,1,0,0,0,0|3,0,0]=4 2173 B18R0.7795 CCCCCCCCCCNC(=O)NCC(C)CO 273464a_100000744482_100000684558 [0,1,0,0,0,0|3,0,0]=4 2174 B18R0.7795 CCCCCCCCCCNC(=O)NCC(C)CO 512a_100000684558_100000744482 [0,1,0,0,0,0|3,0,0]=4 2175 B18R0.7795 CCCCCCCCCCNC(=O)NCC(C)CO 512a_100000744482_100000684558 [0,1,0,0,0,0|3,0,0]=4 2176 B18R0.7795 CCCCCCCCCCNC(=O)NCC(O)CC 2708a_100000684558_100011218483 [0,1,0,0,0,0|2,0,0]=3 2177 B18R0.7795 CCCCCCCCCCNC(=O)NCC(O)CC 273464a_100000684558_100011218483 [0,1,0,0,0,0|2,0,0]=3 2178 B18R0.7795 CCCCCCCCCCNC(=O)NCC(O)CC 273464a_100011218483_100000684558 [0,1,0,0,0,0|2,0,0]=3 2179 B18R0.7795 CCCCCCCCCCNC(=O)NCC(O)CC 512a_100011218483_100000684558 [0,1,0,0,0,0|2,0,0]=3 2180 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@@H](C)OC 2708a_100000684558_100020591295 [0,1,0,0,0,0|3,0,0]=4 2181 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100000684558 [0,1,0,0,0,0|3,0,0]=4 2182 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@@H](C)OC 273464a_100000684558_100020591295 [0,1,0,0,0,0|3,0,0]=4 2183 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000684558 [0,1,0,0,0,0|3,0,0]=4 2184 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@@H](C)OC 512a_100000684558_100020591295 [0,1,0,0,0,0|3,0,0]=4 2185 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@@H](C)OC 512a_100020591295_100000684558 [0,1,0,0,0,0|3,0,0]=4 2186 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@@H](F)CO 2708a_100000684558_100015665980 [0,1,0,0,0,0|3,0,0]=4 2187 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@@H](F)CO 273464a_100000684558_100015665980 [0,1,0,0,0,0|3,0,0]=4 2188 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100000684558 [0,1,0,0,0,0|3,0,0]=4 2189 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@@H](F)CO 512a_100000684558_100015665980 [0,1,0,0,0,0|3,0,0]=4 2190 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@@H](F)CO 512a_100015665980_100000684558 [0,1,0,0,0,0|3,0,0]=4 2191 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@H](O)CO 2708a_100000684558_100020644852 [0,1,0,0,0,0|3,0,0]=4 2192 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@H](O)CO 273464a_100000684558_100020644852 [0,1,0,0,0,0|3,0,0]=4 2193 B18R0.7795 CCCCCCCCCCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000684558 [0,1,0,0,0,0|3,0,0]=4 2194 B18R0.7795 CCCCCCCCCCNC(=O)NNC(C)CC 273464a_100000684558_100000718999 [0,1,0,0,0,0|3,0,0]=4 2195 B18R0.7795 CCCCCCCCCCNC(=O)NNC(C)CC 512a_100000684558_100000718999 [0,1,0,0,0,0|3,0,0]=4 2196 B18R0.7795 CCCCCCCCCCNC(=O)NNC(C)CC 512a_100000718999_100000684558 [0,1,0,0,0,0|3,0,0]=4 2197 B18R0.7795 CCCCCCCCCCOC(=O)CNC(C)CC 2230a_100000209981_100000210668 [0,1,0,0,0,0|3,0,0]=4 2198 B18R0.7795 CCCCCCCCCCOC(=O)COC(C)CC 7a_100000210228_100000210668 [0,1,0,0,0,0|3,0,0]=4 2199 B18R0.7795 CCCCCCCCCCOC(=O)CSC(C)CC 62a_100000680656_100000758301 [0,1,0,0,0,0|3,0,0]=4 2200 B18R0.7795 CCCCCCCCCCOC(=O)CSC(C)CC 62a_100000758301_100000680656 [0,1,0,0,0,0|3,0,0]=4 2201 B18R0.7795 CCCCCCCCCNCC(=O)NCC(O)CO 2230a_100000212291_200012027429 [0,1,0,0,0,0|3,0,0]=4 2202 B18R0.7795 CCCCCCCCCNCC(=O)NCC(O)CO 34a_100000212291_200012027429 [0,1,0,0,0,0|3,0,0]=4 2203 B18R0.7795 CCCCCCCCCOCC(=O)NCC(O)CO 34a_100000210712_200012027429 [0,1,0,0,0,0|3,0,0]=4 2204 B18R0.7795 CCCCCCCCCOCC(=O)NCC(O)CO 7a_100000210712_200012027429 [0,1,0,0,0,0|3,0,0]=4 2205 B18R0.7795 CCCCCCCCCSCC(=O)NCC(O)CO 62a_200012027429_100000210670 [0,1,0,0,0,0|3,0,0]=4 2206 B18R0.7795 CCN(C)CCC(=O)CCCCCCCCCCO 1458a_100000755305_100009813290 [0,1,0,0,0,0|3,0,0]=4 2207 B18R0.7795 CCS(=O)CCC(=O)CCCCCCCCCCO 1458a_100011387550_100009813290 [0,1,0,0,0,0|3,0,0]=4 2208 B18R0.7795 CO[C@H](C)CNC(=O)CCCCCCCCCCO 240690a_100020591295_200000016029 [0,1,0,0,0,0|3,0,0]=4 2209 B18R0.7795 O=C(CCCCCCCCCCO)NC[C@@H](F)CO 240690a_100015665980_200000016029 [0,1,0,0,0,0|3,0,0]=4 2210 B18R0.7795 O=C(CCCCCCCCCCO)NC[C@H](O)CO 240690a_100020644852_200000016029 [0,1,0,0,0,0|3,0,0]=4 2211 B18R0.7796 C=CCCCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100009814027 [0,1,0,0,0,0|1,0,2]=4 2212 B18R0.7796 C=CCCN(C)C(=O)CCCCCCCCCCC 11a_100020639649_100000210736 [0,1,0,0,0,0|1,0,2]=4 2213 B18R0.7796 C=CCCN(C)C(=O)CCCCCCCCCCC 1626a_100020639649_100000210736 [0,1,0,0,0,0|1,0,2]=4 2214 B18R0.7796 C=CCCN(C)C(=O)CCCCCCCCCCC 240690a_100020639649_100000210736 [0,1,0,0,0,0|1,0,2]=4 2215 B18R0.7796 CCC/C=C(\C)/C(=O)CCCCCCCCCCO 1458a_200020648666_100009813290 [0,1,0,0,0,0|2,0,1]=4 2216 B18R0.7796 CCC/C=C(\C)/C(=O)NCCCCCCCCCC 11a_100000684558_200020648666 [0,1,0,0,0,0|2,0,1]=4 2217 B18R0.7796 CCC/C=C(\C)/C(=O)NCCCCCCCCCC 1626a_100000684558_200020648666 [0,1,0,0,0,0|2,0,1]=4 2218 B18R0.7796 CCC/C=C(\C)/C(=O)NCCCCCCCCCC 240690a_100000684558_200020648666 [0,1,0,0,0,0|2,0,1]=4 2219 B18R0.7796 CCCCC(C)C(=O)CCCCCCCCCCO 1458a_100000725509_100009813290 [0,1,0,0,0,0|2,0,0]=3 2220 B18R0.7796 CCCCC(C)C(=O)NCCCCCCCCCO 240690a_100000078944_100000725509 [0,1,0,0,0,0|3,0,0]=4 2221 B18R0.7796 CCCCC(O)C(=O)CCCCCCCCCCO 1458a_100000720857_100009813290 [0,1,0,0,0,0|2,0,0]=3 2222 B18R0.7796 CCCCC(O)C(=O)NCCCCCCCCCO 240690a_100000078944_100000720857 [0,1,0,0,0,0|3,0,0]=4 2223 B18R0.7796 CCCCCCCCCC=CC(=O)N(C)CCCC 11a_100000207549_200015352897 [0,1,0,0,0,0|1,0,2]=4 2224 B18R0.7796 CCCCCCCCCC=CC(=O)N(C)CCCC 1626a_100000207549_200015352897 [0,1,0,0,0,0|1,0,2]=4 2225 B18R0.7796 CCCCCCCCCC=CC(=O)N(C)CCCC 240690a_100000207549_200015352897 [0,1,0,0,0,0|1,0,2]=4 2226 B18R0.7796 CCCCCCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100011215454 [0,1,0,0,0,0|2,0,0]=3 2227 B18R0.7796 CCCCCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100011215454 [0,1,0,0,0,0|1,0,0]=2 2228 B18R0.7796 CCCCCCCCCCCC(=O)C(O)CCSC 1458a_100000685904_100011215454 [0,1,0,0,0,0|2,0,0]=3 2229 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCC#N 11a_100000184479_100000210736 [0,1,0,0,0,0|2,0,1]=4 2230 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCC#N 1626a_100000184479_100000210736 [0,1,0,0,0,0|2,0,1]=4 2231 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCC#N 240690a_100000184479_100000210736 [0,1,0,0,0,0|2,0,1]=4 2232 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCC 11a_100000207549_100000210736 [0,1,0,0,0,0|1,0,0]=2 2233 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCC 1626a_100000207549_100000210736 [0,1,0,0,0,0|1,0,0]=2 2234 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCC 240690a_100000207549_100000210736 [0,1,0,0,0,0|1,0,0]=2 2235 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCO 240690a_100000213112_100000210736 [0,1,0,0,0,0|2,0,0]=3 2236 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCOC 11a_100000743101_100000210736 [0,1,0,0,0,0|2,0,0]=3 2237 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCOC 1626a_100000743101_100000210736 [0,1,0,0,0,0|2,0,0]=3 2238 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCOC 240690a_100000743101_100000210736 [0,1,0,0,0,0|2,0,0]=3 2239 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCSC 11a_100000686725_100000210736 [0,1,0,0,0,0|2,0,0]=3 2240 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCSC 1626a_100000686725_100000210736 [0,1,0,0,0,0|2,0,0]=3 2241 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCSC 240690a_100000686725_100000210736 [0,1,0,0,0,0|2,0,0]=3 2242 B18R0.7796 CCCCCCCCCCNC(=O)C(=O)NCCC 1626a_100000684558_200011297150 [0,1,0,0,0,0|3,0,0]=4 2243 B18R0.7796 CCCCCCCCCCNC(=O)C(=O)NCCC 240690a_100000684558_200011297150 [0,1,0,0,0,0|3,0,0]=4 2244 B18R0.7796 CCCCCCCCCCNC(=O)C(=O)NCCC 527a_100000684558_200011297150 [0,1,0,0,0,0|3,0,0]=4 2245 B18R0.7796 CCCCCCCCCCNC(=O)C(C)CCCC 11a_100000684558_100000725509 [0,1,0,0,0,0|2,0,0]=3 2246 B18R0.7796 CCCCCCCCCCNC(=O)C(C)CCCC 1626a_100000684558_100000725509 [0,1,0,0,0,0|2,0,0]=3 2247 B18R0.7796 CCCCCCCCCCNC(=O)C(C)CCCC 240690a_100000684558_100000725509 [0,1,0,0,0,0|2,0,0]=3 2248 B18R0.7796 CCCCCCCCCCNC(=O)C(C)CCCC 527a_100000684558_100000725509 [0,1,0,0,0,0|2,0,0]=3 2249 B18R0.7796 CCCCCCCCCCNC(=O)C(O)CCCC 240690a_100000684558_100000720857 [0,1,0,0,0,0|2,0,0]=3 2250 B18R0.7796 CCCCCCCCCCNC(=O)C(O)CCCC 527a_100000684558_100000720857 [0,1,0,0,0,0|2,0,0]=3 2251 B18R0.7796 CCCCCCCCCCNC(=O)C(O)CCSC 240690a_100000684558_100000685904 [0,1,0,0,0,0|3,0,0]=4 2252 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCCC 2708a_100000684558_100000207549 [0,1,0,0,0,0|2,0,0]=3 2253 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCCC 273464a_100000684558_100000207549 [0,1,0,0,0,0|2,0,0]=3 2254 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCCO 2708a_100000684558_100000213112 [0,1,0,0,0,0|3,0,0]=4 2255 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCCO 273464a_100000684558_100000213112 [0,1,0,0,0,0|3,0,0]=4 2256 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCOC 2708a_100000684558_100000743101 [0,1,0,0,0,0|3,0,0]=4 2257 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCOC 273464a_100000684558_100000743101 [0,1,0,0,0,0|3,0,0]=4 2258 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCSC 2708a_100000684558_100000686725 [0,1,0,0,0,0|3,0,0]=4 2259 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCSC 273464a_100000684558_100000686725 [0,1,0,0,0,0|3,0,0]=4 2260 B18R0.7796 CCCCCCCCCNCC(=O)N(C)CCCC 2230a_100000212291_100000230175 [0,1,0,0,0,0|2,0,0]=3 2261 B18R0.7796 CCCCCCCCCNCC(=O)N(C)CCCC 34a_100000212291_100000230175 [0,1,0,0,0,0|2,0,0]=3 2262 B18R0.7796 CCCCCCCCCOCC(=O)N(C)CCCC 34a_100000210712_100000230175 [0,1,0,0,0,0|2,0,0]=3 2263 B18R0.7796 CCCCCCCCCOCC(=O)N(C)CCCC 7a_100000210712_100000230175 [0,1,0,0,0,0|2,0,0]=3 2264 B18R0.7796 CCCCCCCCCSCC(=O)N(C)CCCC 62a_100000230175_100000210670 [0,1,0,0,0,0|2,0,0]=3 2265 B18R0.7796 CCCCCCOCCOCC(=O)N(C)CCCC 34a_100000691444_100000230175 [0,1,0,0,0,0|3,0,0]=4 2266 B18R0.7796 CCCCCCOCCOCC(=O)N(C)CCCC 7a_100000691444_100000230175 [0,1,0,0,0,0|3,0,0]=4 2267 B18R0.7796 CCCCN(C)C(=O)CCCCCCCCCCO 240690a_100000207549_200000016029 [0,1,0,0,0,0|2,0,0]=3 2268 B18R0.7796 CCCCN(C)C(=O)CNCCCCCCCCO 2230a_102515433106_100000230175 [0,1,0,0,0,0|3,0,0]=4 2269 B18R0.7796 CCCCN(C)C(=O)CNCCCCCCCCO 34a_102515433106_100000230175 [0,1,0,0,0,0|3,0,0]=4 2270 B18R0.7796 CCCCN(C)C(=O)COCCCCCCCCBr 34a_100009813846_100000230175 [0,1,0,0,0,0|3,0,0]=4 2271 B18R0.7796 CCCCN(C)C(=O)COCCCCCCCCBr 7a_100009813846_100000230175 [0,1,0,0,0,0|3,0,0]=4 2272 B18R0.7796 CCCCN(C)C(=O)COCCCCCCCCCl 34a_100000033203_100000230175 [0,1,0,0,0,0|3,0,0]=4 2273 B18R0.7796 CCCCN(C)C(=O)COCCCCCCCCCl 7a_100000033203_100000230175 [0,1,0,0,0,0|3,0,0]=4 2274 B18R0.7796 CCCCN(C)C(=O)COCCCCCCCCN 34a_102515433106_100000230175 [0,1,0,0,0,0|3,0,0]=4 2275 B18R0.7796 CCCCN(C)C(=O)CSCCCCCCCCO 62a_100000033203_100000230175 [0,1,0,0,0,0|3,0,0]=4 2276 B18R0.7796 CCCCN(C)C(=O)CSCCCCCCCCO 62a_100000230175_100000033203 [0,1,0,0,0,0|3,0,0]=4 2277 B18R0.7796 CCCCN(C)C(=O)NCCCCCCCCCO 2708a_100000078944_100000207549 [0,1,0,0,0,0|3,0,0]=4 2278 B18R0.7796 CCCCN(C)C(=O)NCCCCCCCCCO 273464a_100000078944_100000207549 [0,1,0,0,0,0|3,0,0]=4 2279 B18R0.7796 CCCCNCCCCOCC(=O)N(C)CCCC 34a_200011216965_100000230175 [0,1,0,0,0,0|3,0,0]=4 2280 B18R0.7796 CCCCOCCCCOCC(=O)N(C)CCCC 34a_200000760531_100000230175 [0,1,0,0,0,0|3,0,0]=4 2281 B18R0.7796 CCCCOCCCCOCC(=O)N(C)CCCC 7a_200000760531_100000230175 [0,1,0,0,0,0|3,0,0]=4 2282 B18R0.7796 CCCNC(=O)C(=O)CCCCCCCCCCO 1458a_200011297150_100009813290 [0,1,0,0,0,0|3,0,0]=4 2283 B18R0.7796 CN(CCCO)C(=O)CCCCCCCCCCO 240690a_100000213112_200000016029 [0,1,0,0,0,0|3,0,0]=4 2284 B18R0.7796 COCCN(C)C(=O)CCCCCCCCCCO 240690a_100000743101_200000016029 [0,1,0,0,0,0|3,0,0]=4 2285 B18R0.7796 CSCCC(O)C(=O)CCCCCCCCCCO 1458a_100000685904_100009813290 [0,1,0,0,0,0|3,0,0]=4 2286 B18R0.7796 CSCCN(C)C(=O)CCCCCCCCCCO 240690a_100000686725_200000016029 [0,1,0,0,0,0|3,0,0]=4 2287 B18R0.11006 C#CCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100153394163 [0,1,0,0,0,0|1,0,2]=4 2288 B18R0.11006 C#CCCCCCCCOC(C)C(=O)OCCCC 34a_100000054614_100000759602 [0,1,0,0,0,0|1,0,2]=4 2289 B18R0.11006 C#CCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100153394163 [0,1,0,0,0,0|1,0,2]=4 2290 B18R0.11006 C#CCCCCCCCOC(C)C(=O)OCCCC 7a_100000054614_100000759602 [0,1,0,0,0,0|1,0,2]=4 2291 B18R0.11006 C#CCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100153394163 [0,1,0,0,0,0|1,0,2]=4 2292 B18R0.11006 C#CCCCCCCCSC(C)C(=O)OCCCC 62a_100153394163_100000759602 [0,1,0,0,0,0|1,0,2]=4 2293 B18R0.11006 C=CCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100012355270 [0,1,0,0,0,0|1,0,2]=4 2294 B18R0.11006 C=CCCCCCCCOC(C)C(=O)OCCCC 34a_100000730831_100000759602 [0,1,0,0,0,0|1,0,2]=4 2295 B18R0.11006 C=CCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100012355270 [0,1,0,0,0,0|1,0,2]=4 2296 B18R0.11006 C=CCCCCCCCOC(C)C(=O)OCCCC 7a_100000730831_100000759602 [0,1,0,0,0,0|1,0,2]=4 2297 B18R0.11006 C=CCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100012355270 [0,1,0,0,0,0|1,0,2]=4 2298 B18R0.11006 C=CCCCCCCCSC(C)C(=O)OCCCC 62a_100012355270_100000759602 [0,1,0,0,0,0|1,0,2]=4 2299 B18R0.11006 CC/C=C\CCCCCOC(C)C(=O)OCCCC 34a_100016268722_100000759602 [0,1,0,0,0,0|1,0,2]=4 2300 B18R0.11006 CC/C=C\CCCCCOC(C)C(=O)OCCCC 7a_100016268722_100000759602 [0,1,0,0,0,0|1,0,2]=4 2301 B18R0.11006 CCCC#CC(=O)N(C)CCCCCCCCCC 240690a_100000207566_200011218047 [0,1,0,0,0,0|2,0,1]=4 2302 B18R0.11006 CCCC=CC(=O)N(C)CCCCCCCCCC 11a_100000207566_100000212230 [0,1,0,0,0,0|2,0,1]=4 2303 B18R0.11006 CCCC=CC(=O)N(C)CCCCCCCCCC 1626a_100000207566_100000212230 [0,1,0,0,0,0|2,0,1]=4 2304 B18R0.11006 CCCC=CC(=O)N(C)CCCCCCCCCC 240690a_100000207566_100000212230 [0,1,0,0,0,0|2,0,1]=4 2305 B18R0.11006 CCCCC#CCCCOC(C)C(=O)OCCCC 34a_100000038973_200000047210 [0,1,0,0,0,0|1,0,2]=4 2306 B18R0.11006 CCCCC#CCCCOC(C)C(=O)OCCCC 7a_100000038973_200000047210 [0,1,0,0,0,0|1,0,2]=4 2307 B18R0.11006 CCCCC#CCCCSC(C)C(=O)OCCCC 62a_100000759602_200000047210 [0,1,0,0,0,0|1,0,2]=4 2308 B18R0.11006 CCCCC#CCCCSC(C)C(=O)OCCCC 62a_200000047210_100000759602 [0,1,0,0,0,0|1,0,2]=4 2309 B18R0.11006 CCCCC/C=C\CCOC(C)C(=O)OCCCC 34a_100016277358_100000759602 [0,1,0,0,0,0|1,0,2]=4 2310 B18R0.11006 CCCCC/C=C\CCOC(C)C(=O)OCCCC 7a_100016277358_100000759602 [0,1,0,0,0,0|1,0,2]=4 2311 B18R0.11006 CCCCCC#CCCOC(C)C(=O)OCCCC 34a_200000042877_100000759602 [0,1,0,0,0,0|1,0,2]=4 2312 B18R0.11006 CCCCCC#CCCOC(C)C(=O)OCCCC 7a_200000042877_100000759602 [0,1,0,0,0,0|1,0,2]=4 2313 B18R0.11006 CCCCCC/C=C/COC(C)C(=O)OCCCC 34a_200016276170_100000759602 [0,1,0,0,0,0|1,0,2]=4 2314 B18R0.11006 CCCCCC/C=C/COC(C)C(=O)OCCCC 7a_200016276170_100000759602 [0,1,0,0,0,0|1,0,2]=4 2315 B18R0.11006 CCCCCCC#CCOC(C)C(=O)OCCCC 34a_200000037284_100000759602 [0,1,0,0,0,0|1,0,2]=4 2316 B18R0.11006 CCCCCCC#CCOC(C)C(=O)OCCCC 7a_200000037284_100000759602 [0,1,0,0,0,0|1,0,2]=4 2317 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCCC 11a_100000207566_100000212188 [0,1,0,0,0,0|2,0,0]=3 2318 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCCC 1626a_100000207566_100000212188 [0,1,0,0,0,0|2,0,0]=3 2319 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCCC 240690a_100000207566_100000212188 [0,1,0,0,0,0|2,0,0]=3 2320 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCCC 527a_100000207566_100000212188 [0,1,0,0,0,0|2,0,0]=3 2321 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCCO 1626a_100000207566_100000695505 [0,1,0,0,0,0|3,0,0]=4 2322 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCOC 11a_100000207566_100000741012 [0,1,0,0,0,0|3,0,0]=4 2323 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCOC 1626a_100000207566_100000741012 [0,1,0,0,0,0|3,0,0]=4 2324 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCOC 240690a_100000207566_100000741012 [0,1,0,0,0,0|3,0,0]=4 2325 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCOC 527a_100000207566_100000741012 [0,1,0,0,0,0|3,0,0]=4 2326 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCSC 11a_100000207566_100000173376 [0,1,0,0,0,0|3,0,0]=4 2327 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCSC 1626a_100000207566_100000173376 [0,1,0,0,0,0|3,0,0]=4 2328 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCSC 240690a_100000207566_100000173376 [0,1,0,0,0,0|3,0,0]=4 2329 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCSC 527a_100000207566_100000173376 [0,1,0,0,0,0|3,0,0]=4 2330 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCOCC 11a_100000207566_100000749530 [0,1,0,0,0,0|3,0,0]=4 2331 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCOCC 1626a_100000207566_100000749530 [0,1,0,0,0,0|3,0,0]=4 2332 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCOCC 240690a_100000207566_100000749530 [0,1,0,0,0,0|3,0,0]=4 2333 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCOCC 527a_100000207566_100000749530 [0,1,0,0,0,0|3,0,0]=4 2334 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCSCC 11a_100000207566_100000230768 [0,1,0,0,0,0|3,0,0]=4 2335 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCSCC 1626a_100000207566_100000230768 [0,1,0,0,0,0|3,0,0]=4 2336 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCSCC 240690a_100000207566_100000230768 [0,1,0,0,0,0|3,0,0]=4 2337 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCSCC 527a_100000207566_100000230768 [0,1,0,0,0,0|3,0,0]=4 2338 B18R0.11006 CCCCCCCCCCN(C)C(=O)COCCC 11a_100000207566_100000745993 [0,1,0,0,0,0|3,0,0]=4 2339 B18R0.11006 CCCCCCCCCCN(C)C(=O)COCCC 1626a_100000207566_100000745993 [0,1,0,0,0,0|3,0,0]=4 2340 B18R0.11006 CCCCCCCCCCN(C)C(=O)COCCC 240690a_100000207566_100000745993 [0,1,0,0,0,0|3,0,0]=4 2341 B18R0.11006 CCCCCCCCCCN(C)C(=O)COCCC 527a_100000207566_100000745993 [0,1,0,0,0,0|3,0,0]=4 2342 B18R0.11006 CCCCCCCCCCN(C)C(=O)CSCCC 11a_100000207566_100000217233 [0,1,0,0,0,0|3,0,0]=4 2343 B18R0.11006 CCCCCCCCCCN(C)C(=O)CSCCC 1626a_100000207566_100000217233 [0,1,0,0,0,0|3,0,0]=4 2344 B18R0.11006 CCCCCCCCCCN(C)C(=O)CSCCC 240690a_100000207566_100000217233 [0,1,0,0,0,0|3,0,0]=4 2345 B18R0.11006 CCCCCCCCCCN(C)C(=O)CSCCC 527a_100000207566_100000217233 [0,1,0,0,0,0|3,0,0]=4 2346 B18R0.11006 CCCCCCCCCCN(C)C(=O)NCCCC 2708a_100000102301_100000207566 [0,1,0,0,0,0|2,0,0]=3 2347 B18R0.11006 CCCCCCCCCCN(C)C(=O)NCCCC 273464a_100000102301_100000207566 [0,1,0,0,0,0|2,0,0]=3 2348 B18R0.11006 CCCCCCCCCCN(C)C(=O)NCCCF 2708a_100015189416_100000207566 [0,1,0,0,0,0|3,0,0]=4 2349 B18R0.11006 CCCCCCCCCCN(C)C(=O)NCCCF 273464a_100015189416_100000207566 [0,1,0,0,0,0|3,0,0]=4 2350 B18R0.11006 CCCCCCCCCCN(C)C(=O)NCCCO 273464a_100000182051_100000207566 [0,1,0,0,0,0|3,0,0]=4 2351 B18R0.11006 CCCCCCCCCCN(C)C(=O)NCCOC 273464a_100000209980_100000207566 [0,1,0,0,0,0|3,0,0]=4 2352 B18R0.11006 CCCCCCCCCCN(C)C(=O)NCCSC 2708a_100020590264_100000207566 [0,1,0,0,0,0|3,0,0]=4 2353 B18R0.11006 CCCCCCCCCCN(C)C(=O)NCCSC 273464a_100020590264_100000207566 [0,1,0,0,0,0|3,0,0]=4 2354 B18R0.11006 CCCCCCCCCNC(C)C(=O)NCCCC 2230a_100000212291_100000735917 [0,1,0,0,0,0|2,0,0]=3 2355 B18R0.11006 CCCCCCCCCNC(C)C(=O)NCCCC 34a_100000212291_100000735917 [0,1,0,0,0,0|2,0,0]=3 2356 B18R0.11006 CCCCCCCCCNC(C)C(=O)NCCOC 2230a_100000212291_100000230274 [0,1,0,0,0,0|3,0,0]=4 2357 B18R0.11006 CCCCCCCCCNC(C)C(=O)OCCCC 2230a_100000212291_100000759602 [0,1,0,0,0,0|1,0,0]=2 2358 B18R0.11006 CCCCCCCCCNC(C)C(=O)OCCCC 34a_100000212291_100000759602 [0,1,0,0,0,0|1,0,0]=2 2359 B18R0.11006 CCCCCCCCCOC(C)C(=O)NCCCC 34a_100000210712_100000735917 [0,1,0,0,0,0|2,0,0]=3 2360 B18R0.11006 CCCCCCCCCOC(C)C(=O)NCCCC 7a_100000210712_100000735917 [0,1,0,0,0,0|2,0,0]=3 2361 B18R0.11006 CCCCCCCCCOC(C)C(=O)NCCOC 7a_100000210712_100000230274 [0,1,0,0,0,0|3,0,0]=4 2362 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100011214924 [0,1,0,0,0,0|1,0,0]=2 2363 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 34a_100000210712_100000759602 [0,1,0,0,0,0|1,0,0]=2 2364 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210328 [0,1,0,0,0,0|1,0,0]=2 2365 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 7a_100000210712_100000759602 [0,1,0,0,0,0|1,0,0]=2 2366 B18R0.11006 CCCCCCCCCSC(C)C(=O)NCCCC 62a_100000735917_100000210670 [0,1,0,0,0,0|2,0,0]=3 2367 B18R0.11006 CCCCCCCCCSC(C)C(=O)NCCOC 62a_100000230274_100000210670 [0,1,0,0,0,0|3,0,0]=4 2368 B18R0.11006 CCCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100000210670 [0,1,0,0,0,0|1,0,0]=2 2369 B18R0.11006 CCCCCCOCCOC(C)C(=O)NCCCC 34a_100000691444_100000735917 [0,1,0,0,0,0|3,0,0]=4 2370 B18R0.11006 CCCCCCOCCOC(C)C(=O)NCCCC 7a_100000691444_100000735917 [0,1,0,0,0,0|3,0,0]=4 2371 B18R0.11006 CCCCCCOCCOC(C)C(=O)OCCCC 34a_100000691444_100000759602 [0,1,0,0,0,0|2,0,0]=3 2372 B18R0.11006 CCCCCCOCCOC(C)C(=O)OCCCC 7a_100000691444_100000759602 [0,1,0,0,0,0|2,0,0]=3 2373 B18R0.11006 CCCCNC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000735917 [0,1,0,0,0,0|3,0,0]=4 2374 B18R0.11006 CCCCNC(=O)C(C)NCCCCCCCCO 34a_102515433106_100000735917 [0,1,0,0,0,0|3,0,0]=4 2375 B18R0.11006 CCCCNC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100000735917 [0,1,0,0,0,0|3,0,0]=4 2376 B18R0.11006 CCCCNC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000735917 [0,1,0,0,0,0|3,0,0]=4 2377 B18R0.11006 CCCCNC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100000735917 [0,1,0,0,0,0|3,0,0]=4 2378 B18R0.11006 CCCCNC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000735917 [0,1,0,0,0,0|3,0,0]=4 2379 B18R0.11006 CCCCNC(=O)C(C)OCCCCCCCCN 34a_102515433106_100000735917 [0,1,0,0,0,0|3,0,0]=4 2380 B18R0.11006 CCCCNC(=O)C(C)OCCCCOCCCC 34a_200000760531_100000735917 [0,1,0,0,0,0|3,0,0]=4 2381 B18R0.11006 CCCCNC(=O)C(C)OCCCCOCCCC 7a_200000760531_100000735917 [0,1,0,0,0,0|3,0,0]=4 2382 B18R0.11006 CCCCNC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000735917 [0,1,0,0,0,0|3,0,0]=4 2383 B18R0.11006 CCCCNC(=O)C(C)SCCCCCCCCO 62a_100000735917_100000033203 [0,1,0,0,0,0|3,0,0]=4 2384 B18R0.11006 CCCCNCCCCOC(C)C(=O)NCCCC 34a_200011216965_100000735917 [0,1,0,0,0,0|3,0,0]=4 2385 B18R0.11006 CCCCNCCCCOC(C)C(=O)OCCCC 34a_200011216965_100000759602 [0,1,0,0,0,0|2,0,0]=3 2386 B18R0.11006 CCCCOC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000759602 [0,1,0,0,0,0|2,0,0]=3 2387 B18R0.11006 CCCCOC(=O)C(C)NCCCCCCCCO 34a_102515433106_100000759602 [0,1,0,0,0,0|2,0,0]=3 2388 B18R0.11006 CCCCOC(=O)C(C)NCCOCCOCCC 2230a_200011904461_100000759602 [0,1,0,0,0,0|3,0,0]=4 2389 B18R0.11006 CCCCOC(=O)C(C)NCCOCCOCCC 34a_200011904461_100000759602 [0,1,0,0,0,0|3,0,0]=4 2390 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100000759602 [0,1,0,0,0,0|2,0,0]=3 2391 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000759602 [0,1,0,0,0,0|2,0,0]=3 2392 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100000759602 [0,1,0,0,0,0|2,0,0]=3 2393 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000759602 [0,1,0,0,0,0|2,0,0]=3 2394 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCN 34a_102515433106_100000759602 [0,1,0,0,0,0|2,0,0]=3 2395 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCO 34a_100000038973_100000033203 [0,1,0,0,0,0|2,0,0]=3 2396 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCO 7a_100000038973_100000033203 [0,1,0,0,0,0|2,0,0]=3 2397 B18R0.11006 CCCCOC(=O)C(C)OCCCCCNCCN 34a_103619048469_100000759602 [0,1,0,0,0,0|3,0,0]=4 2398 B18R0.11006 CCCCOC(=O)C(C)OCCCOCCCOC 34a_200011215475_100000759602 [0,1,0,0,0,0|3,0,0]=4 2399 B18R0.11006 CCCCOC(=O)C(C)OCCCOCCCOC 7a_200011215475_100000759602 [0,1,0,0,0,0|3,0,0]=4 2400 B18R0.11006 CCCCOC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000759602 [0,1,0,0,0,0|2,0,0]=3 2401 B18R0.11006 CCCCOC(=O)C(C)SCCCCCCCCO 62a_100000759602_100000033203 [0,1,0,0,0,0|2,0,0]=3 2402 B18R0.11006 CCCCOCCCCOC(C)C(=O)OCCCC 34a_200000760531_100000759602 [0,1,0,0,0,0|2,0,0]=3 2403 B18R0.11006 CCCCOCCCCOC(C)C(=O)OCCCC 7a_200000760531_100000759602 [0,1,0,0,0,0|2,0,0]=3 2404 B18R0.13118 CCCCC(C)CCCCOCC(=O)NCCOC 34a_200011021034_100000183275 [0,1,0,0,0,0|3,0,0]=4 2405 B18R0.13118 CCCCC(C)CCCCOCC(=O)NCCOC 7a_200011021034_100000183275 [0,1,0,0,0,0|3,0,0]=4 2406 B18R0.13118 CCCCC(C)CCCCOCC(=O)OCCOC 34a_200011021034_200000040189 [0,1,0,0,0,0|2,0,0]=3 2407 B18R0.13118 CCCCC(C)CCCCOCC(=O)OCCOC 7a_200011021034_200000040189 [0,1,0,0,0,0|2,0,0]=3 2408 B18R0.13118 CCCCCC(=O)COCCCCC(C)CCCC 34a_200011021034_200012276598 [0,1,0,0,0,0|2,0,0]=3 2409 B18R0.13118 CCCCCC(=O)COCCCCC(C)CCCC 7a_200011021034_200012276598 [0,1,0,0,0,0|2,0,0]=3 2410 B18R0.13118 CCCCNC(=O)COCCCCC(C)CCCC 34a_200011021034_100000182744 [0,1,0,0,0,0|2,0,0]=3 2411 B18R0.13118 CCCCNC(=O)COCCCCC(C)CCCC 7a_200011021034_100000182744 [0,1,0,0,0,0|2,0,0]=3 2412 B18R0.13118 CCCCOC(=O)COCCCCC(C)CCCC 34a_200011021034_100000211628 [0,1,0,0,0,0|1,0,0]=2 2413 B18R0.13118 CCCCOC(=O)COCCCCC(C)CCCC 7a_200011021034_100000211628 [0,1,0,0,0,0|1,0,0]=2 2414 B18R0.19321 C#CCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000087357_100000211628 [0,1,0,0,0,0|0,0,3]=4 2415 B18R0.19321 C#CCCNC(=O)CC(O)CCCCCCCCC 1626a_100000755551_200012339438 [0,1,0,0,0,0|1,0,2]=4 2416 B18R0.19321 C#CCCNC(=O)CC(O)CCCCCCCCC 240690a_100000755551_200012339438 [0,1,0,0,0,0|1,0,2]=4 2417 B18R0.19321 C=CCCCCCCCC(=O)CC(=O)OCCCC 1458a_100011216160_100000211628 [0,1,0,0,0,0|0,0,3]=4 2418 B18R0.19321 C=CCCNC(=O)CC(O)CCCCCCCCC 1626a_100015191253_200012339438 [0,1,0,0,0,0|1,0,2]=4 2419 B18R0.19321 C=CCCNC(=O)CC(O)CCCCCCCCC 240690a_100015191253_200012339438 [0,1,0,0,0,0|1,0,2]=4 2420 B18R0.19321 CC#CCNC(=O)CC(O)CCCCCCCCC 1626a_100000685387_200012339438 [0,1,0,0,0,0|1,0,2]=4 2421 B18R0.19321 CCCCC/C=C/CCC(=O)CC(=O)OCCCC 1458a_200015255902_100000211628 [0,1,0,0,0,0|0,0,3]=4 2422 B18R0.19321 CCCCCC/C=C/CC(=O)CC(=O)OCCCC 1458a_100020681715_100000211628 [0,1,0,0,0,0|0,0,3]=4 2423 B18R0.19321 CCCCCCCC=CC(=O)CC(=O)OCCCC 1458a_200015332781_100000211628 [0,1,0,0,0,0|0,0,3]=4 2424 B18R0.19321 CCCCCCCCCC(=O)CC(=O)CCCCC 1458a_100000210558_200012276598 [0,1,0,0,0,0|1,0,1]=3 2425 B18R0.19321 CCCCCCCCCC(=O)CC(=O)NCCCC 1458a_100000210558_100000182744 [0,1,0,0,0,0|1,0,1]=3 2426 B18R0.19321 CCCCCCCCCC(=O)CC(=O)NCCOC 1458a_100000210558_100000183275 [0,1,0,0,0,0|2,0,1]=4 2427 B18R0.19321 CCCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000210558_100000211628 [0,1,0,0,0,0|0,0,1]=2 2428 B18R0.19321 CCCCCCCCCC(=O)CC(=O)OCCOC 1458a_100000210558_200000040189 [0,1,0,0,0,0|1,0,1]=3 2429 B18R0.19321 CCCCCCCCCC(C)CN(C)CCCCC 270004a_100000223495_200011218516 [0,1,0,0,0,0|3,0,0]=4 2430 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCC#N 1626a_100000720768_200012339438 [0,1,0,0,0,0|2,0,1]=4 2431 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCC#N 240690a_100000720768_200012339438 [0,1,0,0,0,0|2,0,1]=4 2432 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCC 1626a_100000102301_200012339438 [0,1,0,0,0,0|1,0,0]=2 2433 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCC 240690a_100000102301_200012339438 [0,1,0,0,0,0|1,0,0]=2 2434 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCF 1626a_100015189416_200012339438 [0,1,0,0,0,0|2,0,0]=3 2435 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCF 240690a_100015189416_200012339438 [0,1,0,0,0,0|2,0,0]=3 2436 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCO 240690a_100000182051_200012339438 [0,1,0,0,0,0|2,0,0]=3 2437 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCOC 1626a_100000209980_200012339438 [0,1,0,0,0,0|2,0,0]=3 2438 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCOC 240690a_100000209980_200012339438 [0,1,0,0,0,0|2,0,0]=3 2439 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCSC 1626a_100020590264_200012339438 [0,1,0,0,0,0|2,0,0]=3 2440 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCSC 240690a_100020590264_200012339438 [0,1,0,0,0,0|2,0,0]=3 2441 B18R0.19321 CCCCCCCCCC(O)CC(=O)NNCCC 22a_100000740057_200012339438 [0,1,0,0,0,0|2,0,0]=3 2442 B18R0.19321 CCCCCCCCCC(O)CC(=O)NNCCO 22a_100000210001_200012339438 [0,1,0,0,0,0|3,0,0]=4 2443 B18R0.19321 CCCCCCCCCN(C)CC(=O)CCCCC 2230a_100000232482_200012276598 [0,1,0,0,0,0|2,0,0]=3 2444 B18R0.19321 CCCCCCCCCN(C)CC(=O)CCCCC 269982a_100000232482_200012276598 [0,1,0,0,0,0|2,0,0]=3 2445 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCCC 2230a_100000232482_100000182744 [0,1,0,0,0,0|2,0,0]=3 2446 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCCC 2230a_200000213093_100011214924 [0,1,0,0,0,0|2,0,0]=3 2447 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCCC 269982a_100000232482_100000182744 [0,1,0,0,0,0|2,0,0]=3 2448 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCCC 269982a_200000213093_100000210670 [0,1,0,0,0,0|2,0,0]=3 2449 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCOC 2230a_100000232482_100000183275 [0,1,0,0,0,0|3,0,0]=4 2450 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCOC 2230a_100020672463_100011214924 [0,1,0,0,0,0|3,0,0]=4 2451 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCOC 269982a_100000232482_100000183275 [0,1,0,0,0,0|3,0,0]=4 2452 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCOC 269982a_100020672463_100000210670 [0,1,0,0,0,0|3,0,0]=4 2453 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCCC 2230a_100000232482_100000211628 [0,1,0,0,0,0|1,0,0]=2 2454 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCCC 269982a_100000232482_100000211628 [0,1,0,0,0,0|1,0,0]=2 2455 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCOC 2230a_100000232482_200000040189 [0,1,0,0,0,0|2,0,0]=3 2456 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCOC 269982a_100000232482_200000040189 [0,1,0,0,0,0|2,0,0]=3 2457 B18R0.19321 CCCCNC(=O)CN(C)CCCCCCCCO 2230a_200000213093_100000033203 [0,1,0,0,0,0|3,0,0]=4 2458 B18R0.19321 CCCCNC(=O)CN(C)CCCCCCCCO 269982a_200000213093_100000033203 [0,1,0,0,0,0|3,0,0]=4 2459 B18R0.19321 CCCCOCCOCC(=O)CC(=O)OCCCC 1458a_100011216887_100000211628 [0,1,0,0,0,0|2,0,1]=4 2460 B18R0.19788 C#CCCCC(=O)CCCCCCCCCCCC 1458a_100000690238_100000759014 [0,1,0,0,0,0|1,0,2]=4 2461 B18R0.19788 C#CCCCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000731252 [0,1,0,0,0,0|1,0,2]=4 2462 B18R0.19788 C#CCCCC(=O)CCCCCCCCCCCO 1458a_100000690238_100009812471 [0,1,0,0,0,0|1,0,2]=4 2463 B18R0.19788 C#CCCCC(=O)NCCCCCCCCCCC 11a_200011215754_100000690238 [0,1,0,0,0,0|1,0,2]=4 2464 B18R0.19788 C#CCCCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000690238 [0,1,0,0,0,0|1,0,2]=4 2465 B18R0.19788 C#CCCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000690238 [0,1,0,0,0,0|1,0,2]=4 2466 B18R0.19788 C#CCCCC(=O)NCCCCCCCCCCC 527a_200011215754_100000690238 [0,1,0,0,0,0|1,0,2]=4 2467 B18R0.19788 C#CCCCCCCCCOCC(=O)CCCCC 34a_100000065265_200012276598 [0,1,0,0,0,0|1,0,2]=4 2468 B18R0.19788 C#CCCCCCCCCOCC(=O)CCCCC 7a_100000065265_200012276598 [0,1,0,0,0,0|1,0,2]=4 2469 B18R0.19788 C#CCCCCCCCCOCC(=O)NCCCC 34a_100000065265_100000182744 [0,1,0,0,0,0|1,0,2]=4 2470 B18R0.19788 C#CCCCCCCCCOCC(=O)NCCCC 7a_100000065265_100000182744 [0,1,0,0,0,0|1,0,2]=4 2471 B18R0.19788 C#CCCCCCCCCOCC(=O)OCCCC 34a_100000065265_100000211628 [0,1,0,0,0,0|0,0,2]=3 2472 B18R0.19788 C#CCCCCCCCCOCC(=O)OCCCC 7a_100000065265_100000211628 [0,1,0,0,0,0|0,0,2]=3 2473 B18R0.19788 C#CCCCCCCCCOCC(=O)OCCOC 34a_100000065265_200000040189 [0,1,0,0,0,0|1,0,2]=4 2474 B18R0.19788 C#CCCCCCCCCOCC(=O)OCCOC 7a_100000065265_200000040189 [0,1,0,0,0,0|1,0,2]=4 2475 B18R0.19788 C#CCCNC(=O)CCCCCCCCCCCC 11a_100000755551_100011215791 [0,1,0,0,0,0|1,0,2]=4 2476 B18R0.19788 C#CCCNC(=O)CCCCCCCCCCCC 1626a_100000755551_100011215791 [0,1,0,0,0,0|1,0,2]=4 2477 B18R0.19788 C#CCCNC(=O)CCCCCCCCCCCC 240690a_100000755551_100011215791 [0,1,0,0,0,0|1,0,2]=4 2478 B18R0.19788 C#CCCNC(=O)CCCCCCCCCCCO 240690a_100000755551_100000037981 [0,1,0,0,0,0|1,0,2]=4 2479 B18R0.19788 C#CCCNC(=O)NCCCCCCCCCCC 2708a_100000755551_200011215754 [0,1,0,0,0,0|1,0,2]=4 2480 B18R0.19788 C#CCCNC(=O)NCCCCCCCCCCC 2708a_200011215754_100000755551 [0,1,0,0,0,0|1,0,2]=4 2481 B18R0.19788 C#CCCNC(=O)NCCCCCCCCCCC 273464a_100000755551_200011215754 [0,1,0,0,0,0|1,0,2]=4 2482 B18R0.19788 C#CCCNC(=O)NCCCCCCCCCCC 273464a_200011215754_100000755551 [0,1,0,0,0,0|1,0,2]=4 2483 B18R0.19788 C#CCCNC(=O)NCCCCCCCCCCC 512a_100000755551_200011215754 [0,1,0,0,0,0|1,0,2]=4 2484 B18R0.19788 C#CCCNC(=O)NCCCCCCCCCCC 512a_200011215754_100000755551 [0,1,0,0,0,0|1,0,2]=4 2485 B18R0.19788 C#CCOCCCCCCOCC(=O)OCCCC 34a_200011021349_100000211628 [0,1,0,0,0,0|1,0,2]=4 2486 B18R0.19788 C#CCOCCCCCCOCC(=O)OCCCC 7a_200011021349_100000211628 [0,1,0,0,0,0|1,0,2]=4 2487 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 11a_200011215754_100000766728 [0,1,0,0,0,0|1,0,2]=4 2488 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000766728 [0,1,0,0,0,0|1,0,2]=4 2489 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000766728 [0,1,0,0,0,0|1,0,2]=4 2490 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 527a_200011215754_100000766728 [0,1,0,0,0,0|1,0,2]=4 2491 B18R0.19788 C=CCCCCCCCCCCC(=O)C#CCCC 1458a_200011218047_100011093070 [0,1,0,0,0,0|1,0,2]=4 2492 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 11a_100000081888_100000212188 [0,1,0,0,0,0|1,0,2]=4 2493 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 1626a_100000081888_100000212188 [0,1,0,0,0,0|1,0,2]=4 2494 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 240690a_100000081888_100000212188 [0,1,0,0,0,0|1,0,2]=4 2495 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 527a_100000081888_100000212188 [0,1,0,0,0,0|1,0,2]=4 2496 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 2708a_100000081888_100000102301 [0,1,0,0,0,0|1,0,2]=4 2497 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000081888 [0,1,0,0,0,0|1,0,2]=4 2498 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 273464a_100000081888_100000102301 [0,1,0,0,0,0|1,0,2]=4 2499 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000081888 [0,1,0,0,0,0|1,0,2]=4 2500 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 512a_100000081888_100000102301 [0,1,0,0,0,0|1,0,2]=4 2501 B18R0.19788 C=CCCCCCCCCCNC(=O)NCCCC 512a_100000102301_100000081888 [0,1,0,0,0,0|1,0,2]=4 2502 B18R0.19788 C=CCCCCCCCCOCC(=O)NCCCC 34a_100011215194_100000182744 [0,1,0,0,0,0|1,0,2]=4 2503 B18R0.19788 C=CCCCCCCCCOCC(=O)NCCCC 7a_100011215194_100000182744 [0,1,0,0,0,0|1,0,2]=4 2504 B18R0.19788 C=CCCCCCCCCOCC(=O)OCCCC 34a_100011215194_100000211628 [0,1,0,0,0,0|0,0,2]=3 2505 B18R0.19788 C=CCCCCCCCCOCC(=O)OCCCC 7a_100011215194_100000211628 [0,1,0,0,0,0|0,0,2]=3 2506 B18R0.19788 C=CCCCCCCCCOCC(=O)OCCOC 34a_100011215194_200000040189 [0,1,0,0,0,0|1,0,2]=4 2507 B18R0.19788 C=CCCCCCCCCOCC(=O)OCCOC 7a_100011215194_200000040189 [0,1,0,0,0,0|1,0,2]=4 2508 B18R0.19788 C=CCCCCCCCCSCC(=O)NCCCC 62a_100000182744_100011933949 [0,1,0,0,0,0|1,0,2]=4 2509 B18R0.19788 C=CCCCCCCCCSCC(=O)NCCCC 62a_100011933949_100000182744 [0,1,0,0,0,0|1,0,2]=4 2510 B18R0.19788 C=CCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100011933949 [0,1,0,0,0,0|0,0,2]=3 2511 B18R0.19788 C=CCCCCCCCCSCC(=O)OCCCC 62a_100011933949_100000211628 [0,1,0,0,0,0|0,0,2]=3 2512 B18R0.19788 C=CCCCCCCCCSCC(=O)OCCOC 62a_100011933949_200000040189 [0,1,0,0,0,0|1,0,2]=4 2513 B18R0.19788 C=CCCCCCCCCSCC(=O)OCCOC 62a_200000040189_100011933949 [0,1,0,0,0,0|1,0,2]=4 2514 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCC 11a_100015191253_100011215791 [0,1,0,0,0,0|1,0,2]=4 2515 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCC 1626a_100015191253_100011215791 [0,1,0,0,0,0|1,0,2]=4 2516 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCC 240690a_100015191253_100011215791 [0,1,0,0,0,0|1,0,2]=4 2517 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCO 240690a_100015191253_100000037981 [0,1,0,0,0,0|1,0,2]=4 2518 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 2708a_100015191253_200011215754 [0,1,0,0,0,0|1,0,2]=4 2519 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 2708a_200011215754_100015191253 [0,1,0,0,0,0|1,0,2]=4 2520 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 273464a_100015191253_200011215754 [0,1,0,0,0,0|1,0,2]=4 2521 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 273464a_200011215754_100015191253 [0,1,0,0,0,0|1,0,2]=4 2522 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 512a_100015191253_200011215754 [0,1,0,0,0,0|1,0,2]=4 2523 B18R0.19788 C=CCCNC(=O)NCCCCCCCCCCC 512a_200011215754_100015191253 [0,1,0,0,0,0|1,0,2]=4 2524 B18R0.19788 CC#CCNC(=O)CCCCCCCCCCCC 11a_100000685387_100011215791 [0,1,0,0,0,0|1,0,2]=4 2525 B18R0.19788 CC#CCNC(=O)CCCCCCCCCCCC 1626a_100000685387_100011215791 [0,1,0,0,0,0|1,0,2]=4 2526 B18R0.19788 CC#CCNC(=O)NCCCCCCCCCCC 2708a_200011215754_100000685387 [0,1,0,0,0,0|1,0,2]=4 2527 B18R0.19788 CC#CCNC(=O)NCCCCCCCCCCC 273464a_100000685387_200011215754 [0,1,0,0,0,0|1,0,2]=4 2528 B18R0.19788 CC#CCNC(=O)NCCCCCCCCCCC 273464a_200011215754_100000685387 [0,1,0,0,0,0|1,0,2]=4 2529 B18R0.19788 CC#CCNC(=O)NCCCCCCCCCCC 512a_100000685387_200011215754 [0,1,0,0,0,0|1,0,2]=4 2530 B18R0.19788 CC#CCNC(=O)NCCCCCCCCCCC 512a_200011215754_100000685387 [0,1,0,0,0,0|1,0,2]=4 2531 B18R0.19788 CC/C=C/CC(=O)CCCCCCCCCCCO 1458a_100016274230_100009812471 [0,1,0,0,0,0|1,0,2]=4 2532 B18R0.19788 CC/C=C/CC(=O)NCCCCCCCCCCC 11a_200011215754_100016274230 [0,1,0,0,0,0|1,0,2]=4 2533 B18R0.19788 CC/C=C/CC(=O)NCCCCCCCCCCC 1626a_200011215754_100016274230 [0,1,0,0,0,0|1,0,2]=4 2534 B18R0.19788 CC/C=C/CC(=O)NCCCCCCCCCCC 240690a_200011215754_100016274230 [0,1,0,0,0,0|1,0,2]=4 2535 B18R0.19788 CC/C=C/CC(=O)NCCCCCCCCCCC 527a_200011215754_100016274230 [0,1,0,0,0,0|1,0,2]=4 2536 B18R0.19788 CCC#CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100009813939 [0,1,0,0,0,0|1,0,2]=4 2537 B18R0.19788 CCC#CCCCCCCSCC(=O)CCCCC 62a_200000036426_200012276598 [0,1,0,0,0,0|1,0,2]=4 2538 B18R0.19788 CCC#CCCCCCCSCC(=O)CCCCC 62a_200012276598_200000036426 [0,1,0,0,0,0|1,0,2]=4 2539 B18R0.19788 CCC#CCCCCCCSCC(=O)NCCCC 62a_100000182744_200000036426 [0,1,0,0,0,0|1,0,2]=4 2540 B18R0.19788 CCC#CCCCCCCSCC(=O)NCCCC 62a_200000036426_100000182744 [0,1,0,0,0,0|1,0,2]=4 2541 B18R0.19788 CCC#CCCCCCCSCC(=O)OCCCC 62a_100000211628_200000036426 [0,1,0,0,0,0|0,0,2]=3 2542 B18R0.19788 CCC#CCCCCCCSCC(=O)OCCCC 62a_200000036426_100000211628 [0,1,0,0,0,0|0,0,2]=3 2543 B18R0.19788 CCC#CCCCCCCSCC(=O)OCCOC 62a_200000036426_200000040189 [0,1,0,0,0,0|1,0,2]=4 2544 B18R0.19788 CCC#CCCCCCCSCC(=O)OCCOC 62a_200000040189_200000036426 [0,1,0,0,0,0|1,0,2]=4 2545 B18R0.19788 CCCC#CC(=O)CCCCCCC#CCCCC 1458a_200011218047_200000043322 [0,1,0,0,0,0|1,0,2]=4 2546 B18R0.19788 CCCC#CC(=O)CCCCCCCCCCCC 1458a_200011218047_100000759014 [0,1,0,0,0,0|1,0,1]=3 2547 B18R0.19788 CCCC#CC(=O)CCCCCCCCCCCO 1458a_200011218047_100009812471 [0,1,0,0,0,0|1,0,1]=3 2548 B18R0.19788 CCCC#CC(=O)NCCCCCCCCCCC 240690a_200011215754_200011218047 [0,1,0,0,0,0|1,0,1]=3 2549 B18R0.19788 CCCC#CC(=O)NCCCCCCCCCCO 240690a_100000066964_200011218047 [0,1,0,0,0,0|2,0,1]=4 2550 B18R0.19788 CCCC/C=C/CCCCOCC(=O)CCCCC 34a_200020645093_200012276598 [0,1,0,0,0,0|1,0,2]=4 2551 B18R0.19788 CCCC/C=C/CCCCOCC(=O)CCCCC 7a_200020645093_200012276598 [0,1,0,0,0,0|1,0,2]=4 2552 B18R0.19788 CCCC/C=C/CCCCOCC(=O)NCCCC 34a_200020645093_100000182744 [0,1,0,0,0,0|1,0,2]=4 2553 B18R0.19788 CCCC/C=C/CCCCOCC(=O)NCCCC 7a_200020645093_100000182744 [0,1,0,0,0,0|1,0,2]=4 2554 B18R0.19788 CCCC/C=C/CCCCOCC(=O)OCCCC 34a_200020645093_100000211628 [0,1,0,0,0,0|0,0,2]=3 2555 B18R0.19788 CCCC/C=C/CCCCOCC(=O)OCCCC 7a_200020645093_100000211628 [0,1,0,0,0,0|0,0,2]=3 2556 B18R0.19788 CCCC/C=C/CCCCOCC(=O)OCCOC 34a_200020645093_200000040189 [0,1,0,0,0,0|1,0,2]=4 2557 B18R0.19788 CCCC/C=C/CCCCOCC(=O)OCCOC 7a_200020645093_200000040189 [0,1,0,0,0,0|1,0,2]=4 2558 B18R0.19788 CCCC=CC(=O)CCCCCCC#CCCCC 1458a_100000212230_200000043322 [0,1,0,0,0,0|1,0,2]=4 2559 B18R0.19788 CCCC=CC(=O)CCCCCCCCCCCO 1458a_100000212230_100009812471 [0,1,0,0,0,0|1,0,1]=3 2560 B18R0.19788 CCCC=CC(=O)NCCCCCCCCCCC 11a_200011215754_100000212230 [0,1,0,0,0,0|1,0,1]=3 2561 B18R0.19788 CCCC=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000212230 [0,1,0,0,0,0|1,0,1]=3 2562 B18R0.19788 CCCC=CC(=O)NCCCCCCCCCCC 240690a_200011215754_100000212230 [0,1,0,0,0,0|1,0,1]=3 2563 B18R0.19788 CCCC=CC(=O)NCCCCCCCCCCO 240690a_100000066964_100000212230 [0,1,0,0,0,0|2,0,1]=4 2564 B18R0.19788 CCCCC#CCCCCCCC(=O)CCCCC 1458a_100000212188_200000043322 [0,1,0,0,0,0|1,0,1]=3 2565 B18R0.19788 CCCCC#CCCCCCCC(=O)CCCCO 1458a_100000695505_200000043322 [0,1,0,0,0,0|2,0,1]=4 2566 B18R0.19788 CCCCC#CCCCCCCC(=O)CCCOC 1458a_100000741012_200000043322 [0,1,0,0,0,0|2,0,1]=4 2567 B18R0.19788 CCCCC#CCCCCCCC(=O)CCCSC 1458a_100000173376_200000043322 [0,1,0,0,0,0|2,0,1]=4 2568 B18R0.19788 CCCCC#CCCCCCCC(=O)CCOCC 1458a_100000749530_200000043322 [0,1,0,0,0,0|2,0,1]=4 2569 B18R0.19788 CCCCC#CCCCCCCC(=O)CCSCC 1458a_100000230768_200000043322 [0,1,0,0,0,0|2,0,1]=4 2570 B18R0.19788 CCCCC#CCCCCCCC(=O)COCCC 1458a_100000745993_200000043322 [0,1,0,0,0,0|2,0,1]=4 2571 B18R0.19788 CCCCC#CCCCCCCC(=O)CSCCC 1458a_100000217233_200000043322 [0,1,0,0,0,0|2,0,1]=4 2572 B18R0.19788 CCCCC#CCCCCOCC(=O)CCCCC 34a_200000066234_200012276598 [0,1,0,0,0,0|1,0,2]=4 2573 B18R0.19788 CCCCC#CCCCCOCC(=O)CCCCC 7a_200000066234_200012276598 [0,1,0,0,0,0|1,0,2]=4 2574 B18R0.19788 CCCCC#CCCCCOCC(=O)NCCCC 34a_200000066234_100000182744 [0,1,0,0,0,0|1,0,2]=4 2575 B18R0.19788 CCCCC#CCCCCOCC(=O)NCCCC 7a_200000066234_100000182744 [0,1,0,0,0,0|1,0,2]=4 2576 B18R0.19788 CCCCC#CCCCCOCC(=O)OCCCC 34a_200000066234_100000211628 [0,1,0,0,0,0|0,0,2]=3 2577 B18R0.19788 CCCCC#CCCCCOCC(=O)OCCCC 7a_200000066234_100000211628 [0,1,0,0,0,0|0,0,2]=3 2578 B18R0.19788 CCCCC#CCCCCOCC(=O)OCCOC 34a_200000066234_200000040189 [0,1,0,0,0,0|1,0,2]=4 2579 B18R0.19788 CCCCC#CCCCCOCC(=O)OCCOC 7a_200000066234_200000040189 [0,1,0,0,0,0|1,0,2]=4 2580 B18R0.19788 CCCCC/C=C\CCCOCC(=O)CCCCC 34a_100020655193_200012276598 [0,1,0,0,0,0|1,0,2]=4 2581 B18R0.19788 CCCCC/C=C\CCCOCC(=O)CCCCC 7a_100020655193_200012276598 [0,1,0,0,0,0|1,0,2]=4 2582 B18R0.19788 CCCCC/C=C\CCCOCC(=O)NCCCC 34a_100020655193_100000182744 [0,1,0,0,0,0|1,0,2]=4 2583 B18R0.19788 CCCCC/C=C\CCCOCC(=O)NCCCC 7a_100020655193_100000182744 [0,1,0,0,0,0|1,0,2]=4 2584 B18R0.19788 CCCCC/C=C\CCCOCC(=O)OCCCC 34a_100020655193_100000211628 [0,1,0,0,0,0|0,0,2]=3 2585 B18R0.19788 CCCCC/C=C\CCCOCC(=O)OCCCC 7a_100020655193_100000211628 [0,1,0,0,0,0|0,0,2]=3 2586 B18R0.19788 CCCCC/C=C\CCCOCC(=O)OCCOC 34a_100020655193_200000040189 [0,1,0,0,0,0|1,0,2]=4 2587 B18R0.19788 CCCCC/C=C\CCCOCC(=O)OCCOC 7a_100020655193_200000040189 [0,1,0,0,0,0|1,0,2]=4 2588 B18R0.19788 CCCCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000212188 [0,1,0,0,0,0|2,0,0]=3 2589 B18R0.19788 CCCCCCC#CCCOCC(=O)CCCCC 34a_200000033163_200012276598 [0,1,0,0,0,0|1,0,2]=4 2590 B18R0.19788 CCCCCCC#CCCOCC(=O)CCCCC 7a_200000033163_200012276598 [0,1,0,0,0,0|1,0,2]=4 2591 B18R0.19788 CCCCCCC#CCCOCC(=O)NCCCC 34a_200000033163_100000182744 [0,1,0,0,0,0|1,0,2]=4 2592 B18R0.19788 CCCCCCC#CCCOCC(=O)NCCCC 7a_200000033163_100000182744 [0,1,0,0,0,0|1,0,2]=4 2593 B18R0.19788 CCCCCCC#CCCOCC(=O)OCCCC 34a_200000033163_100000211628 [0,1,0,0,0,0|0,0,2]=3 2594 B18R0.19788 CCCCCCC#CCCOCC(=O)OCCCC 7a_200000033163_100000211628 [0,1,0,0,0,0|0,0,2]=3 2595 B18R0.19788 CCCCCCC#CCCOCC(=O)OCCOC 34a_200000033163_200000040189 [0,1,0,0,0,0|1,0,2]=4 2596 B18R0.19788 CCCCCCC#CCCOCC(=O)OCCOC 7a_200000033163_200000040189 [0,1,0,0,0,0|1,0,2]=4 2597 B18R0.19788 CCCCCCCC#CCOCC(=O)CCCCC 34a_200000061759_200012276598 [0,1,0,0,0,0|1,0,2]=4 2598 B18R0.19788 CCCCCCCC#CCOCC(=O)CCCCC 7a_200000061759_200012276598 [0,1,0,0,0,0|1,0,2]=4 2599 B18R0.19788 CCCCCCCC#CCOCC(=O)NCCCC 34a_200000061759_100000182744 [0,1,0,0,0,0|1,0,2]=4 2600 B18R0.19788 CCCCCCCC#CCOCC(=O)NCCCC 7a_200000061759_100000182744 [0,1,0,0,0,0|1,0,2]=4 2601 B18R0.19788 CCCCCCCC#CCOCC(=O)OCCCC 34a_200000061759_100000211628 [0,1,0,0,0,0|0,0,2]=3 2602 B18R0.19788 CCCCCCCC#CCOCC(=O)OCCCC 7a_200000061759_100000211628 [0,1,0,0,0,0|0,0,2]=3 2603 B18R0.19788 CCCCCCCC#CCOCC(=O)OCCOC 34a_200000061759_200000040189 [0,1,0,0,0,0|1,0,2]=4 2604 B18R0.19788 CCCCCCCC#CCOCC(=O)OCCOC 7a_200000061759_200000040189 [0,1,0,0,0,0|1,0,2]=4 2605 B18R0.19788 CCCCCCCCCC=NNC(=O)CCCCC 4a_100000189784_100000210895 [0,1,0,0,0,0|2,0,1]=4 2606 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCC 11a_100000102301_100015291182 [0,1,0,0,0,0|1,0,1]=3 2607 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCC 1626a_100000102301_100015291182 [0,1,0,0,0,0|1,0,1]=3 2608 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCC 240690a_100000102301_100015291182 [0,1,0,0,0,0|1,0,1]=3 2609 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCF 11a_100015189416_100015291182 [0,1,0,0,0,0|2,0,1]=4 2610 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCF 1626a_100015189416_100015291182 [0,1,0,0,0,0|2,0,1]=4 2611 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCF 240690a_100015189416_100015291182 [0,1,0,0,0,0|2,0,1]=4 2612 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCO 240690a_100000182051_100015291182 [0,1,0,0,0,0|2,0,1]=4 2613 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCOC 1626a_100000209980_100015291182 [0,1,0,0,0,0|2,0,1]=4 2614 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCOC 240690a_100000209980_100015291182 [0,1,0,0,0,0|2,0,1]=4 2615 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCSC 11a_100020590264_100015291182 [0,1,0,0,0,0|2,0,1]=4 2616 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCSC 1626a_100020590264_100015291182 [0,1,0,0,0,0|2,0,1]=4 2617 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCSC 240690a_100020590264_100015291182 [0,1,0,0,0,0|2,0,1]=4 2618 B18R0.19788 CCCCCCCCCCC=CC(=O)NNCCC 22a_100000740057_100015291182 [0,1,0,0,0,0|2,0,1]=4 2619 B18R0.19788 CCCCCCCCCCCCC(=NNCCC)C 4a_100000740057_100011219199 [0,1,0,0,0,0|3,0,0]=4 2620 B18R0.19788 CCCCCCCCCCCCC(=O)C=CCOC 1458a_100016285016_100000759014 [0,1,0,0,0,0|2,0,1]=4 2621 B18R0.19788 CCCCCCCCCCCCC(=O)C=COCC 1458a_100016266692_100000759014 [0,1,0,0,0,0|2,0,1]=4 2622 B18R0.19788 CCCCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000759014 [0,1,0,0,0,0|2,0,1]=4 2623 B18R0.19788 CCCCCCCCCCCCC(=O)CCCC#N 1458a_100011215791_100000211468 [0,1,0,0,0,0|2,0,1]=4 2624 B18R0.19788 CCCCCCCCCCCCC(=O)NCCC#N 11a_100000720768_100011215791 [0,1,0,0,0,0|2,0,1]=4 2625 B18R0.19788 CCCCCCCCCCCCC(=O)NCCC#N 1626a_100000720768_100011215791 [0,1,0,0,0,0|2,0,1]=4 2626 B18R0.19788 CCCCCCCCCCCCC(=O)NCCC#N 240690a_100000720768_100011215791 [0,1,0,0,0,0|2,0,1]=4 2627 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC 11a_100000102301_100011215791 [0,1,0,0,0,0|1,0,0]=2 2628 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100011215791 [0,1,0,0,0,0|1,0,0]=2 2629 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100011215791 [0,1,0,0,0,0|1,0,0]=2 2630 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCF 11a_100015189416_100011215791 [0,1,0,0,0,0|2,0,0]=3 2631 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100011215791 [0,1,0,0,0,0|2,0,0]=3 2632 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100011215791 [0,1,0,0,0,0|2,0,0]=3 2633 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100011215791 [0,1,0,0,0,0|2,0,0]=3 2634 B18R0.19788 CCCCCCCCCCCCC(=O)NCCOC 1626a_100000209980_100011215791 [0,1,0,0,0,0|2,0,0]=3 2635 B18R0.19788 CCCCCCCCCCCCC(=O)NCCOC 240690a_100000209980_100011215791 [0,1,0,0,0,0|2,0,0]=3 2636 B18R0.19788 CCCCCCCCCCCCC(=O)NCCSC 11a_100020590264_100011215791 [0,1,0,0,0,0|2,0,0]=3 2637 B18R0.19788 CCCCCCCCCCCCC(=O)NCCSC 1626a_100020590264_100011215791 [0,1,0,0,0,0|2,0,0]=3 2638 B18R0.19788 CCCCCCCCCCCCC(=O)NCCSC 240690a_100020590264_100011215791 [0,1,0,0,0,0|2,0,0]=3 2639 B18R0.19788 CCCCCCCCCCCCC(=O)NNCCC 22a_100000740057_100011215791 [0,1,0,0,0,0|2,0,0]=3 2640 B18R0.19788 CCCCCCCCCCCCC(=O)NNCCO 22a_100000210001_100011215791 [0,1,0,0,0,0|3,0,0]=4 2641 B18R0.19788 CCCCCCCCCCCNC(=O)C=CCOC 11a_200011215754_100016285016 [0,1,0,0,0,0|2,0,1]=4 2642 B18R0.19788 CCCCCCCCCCCNC(=O)C=CCOC 1626a_200011215754_100016285016 [0,1,0,0,0,0|2,0,1]=4 2643 B18R0.19788 CCCCCCCCCCCNC(=O)C=CCOC 240690a_200011215754_100016285016 [0,1,0,0,0,0|2,0,1]=4 2644 B18R0.19788 CCCCCCCCCCCNC(=O)C=COCC 11a_200011215754_100016266692 [0,1,0,0,0,0|2,0,1]=4 2645 B18R0.19788 CCCCCCCCCCCNC(=O)C=COCC 1626a_200011215754_100016266692 [0,1,0,0,0,0|2,0,1]=4 2646 B18R0.19788 CCCCCCCCCCCNC(=O)C=COCC 240690a_200011215754_100016266692 [0,1,0,0,0,0|2,0,1]=4 2647 B18R0.19788 CCCCCCCCCCCNC(=O)CCCC#N 11a_200011215754_100000075515 [0,1,0,0,0,0|2,0,1]=4 2648 B18R0.19788 CCCCCCCCCCCNC(=O)CCCC#N 1626a_200011215754_100000075515 [0,1,0,0,0,0|2,0,1]=4 2649 B18R0.19788 CCCCCCCCCCCNC(=O)CCCC#N 240690a_200011215754_100000075515 [0,1,0,0,0,0|2,0,1]=4 2650 B18R0.19788 CCCCCCCCCCCNC(=O)CCCC#N 527a_200011215754_100000075515 [0,1,0,0,0,0|2,0,1]=4 2651 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 11a_200011215754_100000212188 [0,1,0,0,0,0|1,0,0]=2 2652 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 1626a_200011215754_100000212188 [0,1,0,0,0,0|1,0,0]=2 2653 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 240690a_200011215754_100000212188 [0,1,0,0,0,0|1,0,0]=2 2654 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 527a_200011215754_100000212188 [0,1,0,0,0,0|1,0,0]=2 2655 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCO 1626a_200011215754_100000695505 [0,1,0,0,0,0|2,0,0]=3 2656 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 11a_200011215754_100000741012 [0,1,0,0,0,0|2,0,0]=3 2657 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 1626a_200011215754_100000741012 [0,1,0,0,0,0|2,0,0]=3 2658 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 240690a_200011215754_100000741012 [0,1,0,0,0,0|2,0,0]=3 2659 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 527a_200011215754_100000741012 [0,1,0,0,0,0|2,0,0]=3 2660 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 11a_200011215754_100000173376 [0,1,0,0,0,0|2,0,0]=3 2661 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 1626a_200011215754_100000173376 [0,1,0,0,0,0|2,0,0]=3 2662 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 240690a_200011215754_100000173376 [0,1,0,0,0,0|2,0,0]=3 2663 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 527a_200011215754_100000173376 [0,1,0,0,0,0|2,0,0]=3 2664 B18R0.19788 CCCCCCCCCCCNC(=O)CCOCC 11a_200011215754_100000749530 [0,1,0,0,0,0|2,0,0]=3 2665 B18R0.19788 CCCCCCCCCCCNC(=O)CCOCC 1626a_200011215754_100000749530 [0,1,0,0,0,0|2,0,0]=3 2666 B18R0.19788 CCCCCCCCCCCNC(=O)CCOCC 240690a_200011215754_100000749530 [0,1,0,0,0,0|2,0,0]=3 2667 B18R0.19788 CCCCCCCCCCCNC(=O)CCOCC 527a_200011215754_100000749530 [0,1,0,0,0,0|2,0,0]=3 2668 B18R0.19788 CCCCCCCCCCCNC(=O)CCSCC 11a_200011215754_100000230768 [0,1,0,0,0,0|2,0,0]=3 2669 B18R0.19788 CCCCCCCCCCCNC(=O)CCSCC 1626a_200011215754_100000230768 [0,1,0,0,0,0|2,0,0]=3 2670 B18R0.19788 CCCCCCCCCCCNC(=O)CCSCC 240690a_200011215754_100000230768 [0,1,0,0,0,0|2,0,0]=3 2671 B18R0.19788 CCCCCCCCCCCNC(=O)CCSCC 527a_200011215754_100000230768 [0,1,0,0,0,0|2,0,0]=3 2672 B18R0.19788 CCCCCCCCCCCNC(=O)COCCC 11a_200011215754_100000745993 [0,1,0,0,0,0|2,0,0]=3 2673 B18R0.19788 CCCCCCCCCCCNC(=O)COCCC 1626a_200011215754_100000745993 [0,1,0,0,0,0|2,0,0]=3 2674 B18R0.19788 CCCCCCCCCCCNC(=O)COCCC 240690a_200011215754_100000745993 [0,1,0,0,0,0|2,0,0]=3 2675 B18R0.19788 CCCCCCCCCCCNC(=O)COCCC 527a_200011215754_100000745993 [0,1,0,0,0,0|2,0,0]=3 2676 B18R0.19788 CCCCCCCCCCCNC(=O)COCCO 1626a_200011215754_100000708028 [0,1,0,0,0,0|3,0,0]=4 2677 B18R0.19788 CCCCCCCCCCCNC(=O)COCCO 240690a_200011215754_100000708028 [0,1,0,0,0,0|3,0,0]=4 2678 B18R0.19788 CCCCCCCCCCCNC(=O)CSCCC 11a_200011215754_100000217233 [0,1,0,0,0,0|2,0,0]=3 2679 B18R0.19788 CCCCCCCCCCCNC(=O)CSCCC 1626a_200011215754_100000217233 [0,1,0,0,0,0|2,0,0]=3 2680 B18R0.19788 CCCCCCCCCCCNC(=O)CSCCC 240690a_200011215754_100000217233 [0,1,0,0,0,0|2,0,0]=3 2681 B18R0.19788 CCCCCCCCCCCNC(=O)CSCCC 527a_200011215754_100000217233 [0,1,0,0,0,0|2,0,0]=3 2682 B18R0.19788 CCCCCCCCCCCNC(=O)NCCC#N 2708a_100000720768_200011215754 [0,1,0,0,0,0|2,0,1]=4 2683 B18R0.19788 CCCCCCCCCCCNC(=O)NCCC#N 2708a_200011215754_100000720768 [0,1,0,0,0,0|2,0,1]=4 2684 B18R0.19788 CCCCCCCCCCCNC(=O)NCCC#N 273464a_100000720768_200011215754 [0,1,0,0,0,0|2,0,1]=4 2685 B18R0.19788 CCCCCCCCCCCNC(=O)NCCC#N 273464a_200011215754_100000720768 [0,1,0,0,0,0|2,0,1]=4 2686 B18R0.19788 CCCCCCCCCCCNC(=O)NCCC#N 512a_100000720768_200011215754 [0,1,0,0,0,0|2,0,1]=4 2687 B18R0.19788 CCCCCCCCCCCNC(=O)NCCC#N 512a_200011215754_100000720768 [0,1,0,0,0,0|2,0,1]=4 2688 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 2708a_100000102301_200011215754 [0,1,0,0,0,0|1,0,0]=2 2689 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 2708a_200011215754_100000102301 [0,1,0,0,0,0|1,0,0]=2 2690 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 273464a_100000102301_200011215754 [0,1,0,0,0,0|1,0,0]=2 2691 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 273464a_200011215754_100000102301 [0,1,0,0,0,0|1,0,0]=2 2692 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 512a_100000102301_200011215754 [0,1,0,0,0,0|1,0,0]=2 2693 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 512a_200011215754_100000102301 [0,1,0,0,0,0|1,0,0]=2 2694 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 2708a_100015189416_200011215754 [0,1,0,0,0,0|2,0,0]=3 2695 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 2708a_200011215754_100015189416 [0,1,0,0,0,0|2,0,0]=3 2696 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 273464a_100015189416_200011215754 [0,1,0,0,0,0|2,0,0]=3 2697 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 273464a_200011215754_100015189416 [0,1,0,0,0,0|2,0,0]=3 2698 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 512a_100015189416_200011215754 [0,1,0,0,0,0|2,0,0]=3 2699 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 512a_200011215754_100015189416 [0,1,0,0,0,0|2,0,0]=3 2700 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 2708a_200011215754_100000182051 [0,1,0,0,0,0|2,0,0]=3 2701 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 273464a_100000182051_200011215754 [0,1,0,0,0,0|2,0,0]=3 2702 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 273464a_200011215754_100000182051 [0,1,0,0,0,0|2,0,0]=3 2703 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 512a_200011215754_100000182051 [0,1,0,0,0,0|2,0,0]=3 2704 B18R0.19788 CCCCCCCCCCCNC(=O)NCCOC 2708a_200011215754_100000209980 [0,1,0,0,0,0|2,0,0]=3 2705 B18R0.19788 CCCCCCCCCCCNC(=O)NCCOC 273464a_100000209980_200011215754 [0,1,0,0,0,0|2,0,0]=3 2706 B18R0.19788 CCCCCCCCCCCNC(=O)NCCOC 273464a_200011215754_100000209980 [0,1,0,0,0,0|2,0,0]=3 2707 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 2708a_100020590264_200011215754 [0,1,0,0,0,0|2,0,0]=3 2708 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 2708a_200011215754_100020590264 [0,1,0,0,0,0|2,0,0]=3 2709 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 273464a_100020590264_200011215754 [0,1,0,0,0,0|2,0,0]=3 2710 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 273464a_200011215754_100020590264 [0,1,0,0,0,0|2,0,0]=3 2711 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 512a_100020590264_200011215754 [0,1,0,0,0,0|2,0,0]=3 2712 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 512a_200011215754_100020590264 [0,1,0,0,0,0|2,0,0]=3 2713 B18R0.19788 CCCCCCCCCCCNC(=O)NNCCC 273464a_200011215754_100000740057 [0,1,0,0,0,0|2,0,0]=3 2714 B18R0.19788 CCCCCCCCCCCNC(=O)NNCCC 512a_100000740057_200011215754 [0,1,0,0,0,0|2,0,0]=3 2715 B18R0.19788 CCCCCCCCCCCNC(=O)NNCCC 512a_200011215754_100000740057 [0,1,0,0,0,0|2,0,0]=3 2716 B18R0.19788 CCCCCCCCCCCNC(=O)NNCCO 273464a_200011215754_100000210001 [0,1,0,0,0,0|3,0,0]=4 2717 B18R0.19788 CCCCCCCCCCCNC(=O)NNCCO 512a_200011215754_100000210001 [0,1,0,0,0,0|3,0,0]=4 2718 B18R0.19788 CCCCCCCCCCNCC(=O)NCCCC 2230a_100000684558_100000182744 [0,1,0,0,0,0|1,0,0]=2 2719 B18R0.19788 CCCCCCCCCCNCC(=O)NCCCC 34a_100000684558_100000182744 [0,1,0,0,0,0|1,0,0]=2 2720 B18R0.19788 CCCCCCCCCCNCC(=O)NCCOC 2230a_100000684558_100000183275 [0,1,0,0,0,0|2,0,0]=3 2721 B18R0.19788 CCCCCCCCCCNCC(=O)NCCOC 2230a_100000754632_100000210320 [0,1,0,0,0,0|2,0,0]=3 2722 B18R0.19788 CCCCCCCCCCNCC(=O)NCCOC 34a_100000684558_100000183275 [0,1,0,0,0,0|2,0,0]=3 2723 B18R0.19788 CCCCCCCCCCNCC(=O)OCCCC 2230a_100000684558_100000211628 [0,1,0,0,0,0|0,0,0]=1 2724 B18R0.19788 CCCCCCCCCCNCC(=O)OCCCC 34a_100000684558_100000211628 [0,1,0,0,0,0|0,0,0]=1 2725 B18R0.19788 CCCCCCCCCCNCC(=O)OCCOC 2230a_100000684558_200000040189 [0,1,0,0,0,0|1,0,0]=2 2726 B18R0.19788 CCCCCCCCCCNCC(=O)OCCOC 34a_100000684558_200000040189 [0,1,0,0,0,0|1,0,0]=2 2727 B18R0.19788 CCCCCCCCCCOCC(=O)NCCCC 34a_100000210711_100000182744 [0,1,0,0,0,0|1,0,0]=2 2728 B18R0.19788 CCCCCCCCCCOCC(=O)NCCCC 7a_100000210711_100000182744 [0,1,0,0,0,0|1,0,0]=2 2729 B18R0.19788 CCCCCCCCCCOCC(=O)NCCOC 34a_100000210711_100000183275 [0,1,0,0,0,0|2,0,0]=3 2730 B18R0.19788 CCCCCCCCCCOCC(=O)NCCOC 7a_100000210711_100000183275 [0,1,0,0,0,0|2,0,0]=3 2731 B18R0.19788 CCCCCCCCCCOCC(=O)OCCCC 34a_100000210711_100000211628 [0,1,0,0,0,0|0,0,0]=1 2732 B18R0.19788 CCCCCCCCCCOCC(=O)OCCCC 7a_100000210711_100000211628 [0,1,0,0,0,0|0,0,0]=1 2733 B18R0.19788 CCCCCCCCCCOCC(=O)OCCOC 34a_100000210711_200000040189 [0,1,0,0,0,0|1,0,0]=2 2734 B18R0.19788 CCCCCCCCCCOCC(=O)OCCOC 7a_100000210711_200000040189 [0,1,0,0,0,0|1,0,0]=2 2735 B18R0.19788 CCCCCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210320 [0,1,0,0,0,0|1,0,0]=2 2736 B18R0.19788 CCCCCCCCCCSCC(=O)NCCOC 62a_100000183275_100000210320 [0,1,0,0,0,0|2,0,0]=3 2737 B18R0.19788 CCCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210320 [0,1,0,0,0,0|0,0,0]=1 2738 B18R0.19788 CCCCCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210320 [0,1,0,0,0,0|1,0,0]=2 2739 B18R0.19788 CCCCNC(=O)CCCCCCCCCCCO 240690a_100000102301_100000037981 [0,1,0,0,0,0|1,0,0]=2 2740 B18R0.19788 CCCCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000182744 [0,1,0,0,0,0|2,0,0]=3 2741 B18R0.19788 CCCCNC(=O)CNCCCCCCCCCO 34a_100000078944_100000182744 [0,1,0,0,0,0|2,0,0]=3 2742 B18R0.19788 CCCCNC(=O)COCCCCCCCCCBr 34a_100009813782_100000182744 [0,1,0,0,0,0|2,0,0]=3 2743 B18R0.19788 CCCCNC(=O)COCCCCCCCCCBr 7a_100009813782_100000182744 [0,1,0,0,0,0|2,0,0]=3 2744 B18R0.19788 CCCCNC(=O)COCCCCCCCCCCl 34a_100009868337_100000182744 [0,1,0,0,0,0|2,0,0]=3 2745 B18R0.19788 CCCCNC(=O)COCCCCCCCCCCl 7a_100009868337_100000182744 [0,1,0,0,0,0|2,0,0]=3 2746 B18R0.19788 CCCCNC(=O)COCCCCCCCCCN 34a_100000078944_100000182744 [0,1,0,0,0,0|2,0,0]=3 2747 B18R0.19788 CCCCNC(=O)COCCOCCOCCCC 34a_100011215186_100000182744 [0,1,0,0,0,0|3,0,0]=4 2748 B18R0.19788 CCCCNC(=O)COCCOCCOCCCC 7a_100011215186_100000182744 [0,1,0,0,0,0|3,0,0]=4 2749 B18R0.19788 CCCCNC(=O)CSCCCCCCCCCO 62a_100000182744_100009813782 [0,1,0,0,0,0|2,0,0]=3 2750 B18R0.19788 CCCCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000182744 [0,1,0,0,0,0|2,0,0]=3 2751 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000102301 [0,1,0,0,0,0|2,0,0]=3 2752 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 2708a_100000102301_100000066964 [0,1,0,0,0,0|2,0,0]=3 2753 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000102301 [0,1,0,0,0,0|2,0,0]=3 2754 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 273464a_100000102301_100000066964 [0,1,0,0,0,0|2,0,0]=3 2755 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000102301 [0,1,0,0,0,0|2,0,0]=3 2756 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 512a_100000102301_100000066964 [0,1,0,0,0,0|2,0,0]=3 2757 B18R0.19788 CCCCOC(=O)CNCCCCCCCCCO 2230a_100000078944_100000211628 [0,1,0,0,0,0|1,0,0]=2 2758 B18R0.19788 CCCCOC(=O)CNCCCCCCCCCO 34a_100000078944_100000211628 [0,1,0,0,0,0|1,0,0]=2 2759 B18R0.19788 CCCCOC(=O)CNCCCOCCOCCO 2230a_100011996194_100000211628 [0,1,0,0,0,0|3,0,0]=4 2760 B18R0.19788 CCCCOC(=O)CNCCCOCCOCCO 34a_100011996194_100000211628 [0,1,0,0,0,0|3,0,0]=4 2761 B18R0.19788 CCCCOC(=O)CNCCOCCOCCOC 2230a_100012028300_100000211628 [0,1,0,0,0,0|3,0,0]=4 2762 B18R0.19788 CCCCOC(=O)CNCCOCCOCCOC 34a_100012028300_100000211628 [0,1,0,0,0,0|3,0,0]=4 2763 B18R0.19788 CCCCOC(=O)COCCCCCCCCCBr 34a_100009813782_100000211628 [0,1,0,0,0,0|1,0,0]=2 2764 B18R0.19788 CCCCOC(=O)COCCCCCCCCCBr 7a_100009813782_100000211628 [0,1,0,0,0,0|1,0,0]=2 2765 B18R0.19788 CCCCOC(=O)COCCCCCCCCCCl 34a_100009868337_100000211628 [0,1,0,0,0,0|1,0,0]=2 2766 B18R0.19788 CCCCOC(=O)COCCCCCCCCCCl 7a_100009868337_100000211628 [0,1,0,0,0,0|1,0,0]=2 2767 B18R0.19788 CCCCOC(=O)COCCCCCCCCCN 34a_100000078944_100000211628 [0,1,0,0,0,0|1,0,0]=2 2768 B18R0.19788 CCCCOC(=O)COCCOCCOCCCN 34a_100011996194_100000211628 [0,1,0,0,0,0|3,0,0]=4 2769 B18R0.19788 CCCCOC(=O)COCCOCCOCCNC 34a_200014138305_100000211628 [0,1,0,0,0,0|3,0,0]=4 2770 B18R0.19788 CCCCOC(=O)COCCOCCOCCOC 34a_100000688194_100000211628 [0,1,0,0,0,0|3,0,0]=4 2771 B18R0.19788 CCCCOC(=O)COCCOCCOCCOC 7a_100000688194_100000211628 [0,1,0,0,0,0|3,0,0]=4 2772 B18R0.19788 CCCCOC(=O)CSCCCCCCCCCO 62a_100000211628_100009813782 [0,1,0,0,0,0|1,0,0]=2 2773 B18R0.19788 CCCCOC(=O)CSCCCCCCCCCO 62a_100009813782_100000211628 [0,1,0,0,0,0|1,0,0]=2 2774 B18R0.19788 CCCCOC(=O)CSCCOCCOCCOC 62a_100000211628_100013367474 [0,1,0,0,0,0|3,0,0]=4 2775 B18R0.19788 CCCCOC(=O)CSCCOCCOCCOC 62a_100013367474_100000211628 [0,1,0,0,0,0|3,0,0]=4 2776 B18R0.19788 CCCCOCCOCCOCC(=O)OCCCC 34a_100011215186_100000211628 [0,1,0,0,0,0|2,0,0]=3 2777 B18R0.19788 CCCCOCCOCCOCC(=O)OCCCC 7a_100011215186_100000211628 [0,1,0,0,0,0|2,0,0]=3 2778 B18R0.19788 CCCCOCCOCCOCC(=O)OCCOC 34a_100011215186_200000040189 [0,1,0,0,0,0|3,0,0]=4 2779 B18R0.19788 CCCCOCCOCCOCC(=O)OCCOC 7a_100011215186_200000040189 [0,1,0,0,0,0|3,0,0]=4 2780 B18R0.19788 CCCNNC(=O)CCCCCCCCCCCO 22a_100000740057_100000037981 [0,1,0,0,0,0|2,0,0]=3 2781 B18R0.19788 CCCNNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000740057 [0,1,0,0,0,0|3,0,0]=4 2782 B18R0.19788 CCCNNC(=O)NCCCCCCCCCCO 512a_100000066964_100000740057 [0,1,0,0,0,0|3,0,0]=4 2783 B18R0.19788 CCCNNC(=O)NCCCCCCCCCCO 512a_100000740057_100000066964 [0,1,0,0,0,0|3,0,0]=4 2784 B18R0.19788 CCCOCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000745993 [0,1,0,0,0,0|3,0,0]=4 2785 B18R0.19788 CCCSCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000217233 [0,1,0,0,0,0|3,0,0]=4 2786 B18R0.19788 CCOC=CC(=O)CCCCCCCCCCCO 1458a_100016266692_100009812471 [0,1,0,0,0,0|2,0,1]=4 2787 B18R0.19788 CCOCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000749530 [0,1,0,0,0,0|3,0,0]=4 2788 B18R0.19788 CCSCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000230768 [0,1,0,0,0,0|3,0,0]=4 2789 B18R0.19788 COCC=CC(=O)CCCCCCCCCCCO 1458a_100016285016_100009812471 [0,1,0,0,0,0|2,0,1]=4 2790 B18R0.19788 COCCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000741012 [0,1,0,0,0,0|3,0,0]=4 2791 B18R0.19788 COCCNC(=O)CCCCCCCCCCCO 240690a_100000209980_100000037981 [0,1,0,0,0,0|2,0,0]=3 2792 B18R0.19788 COCCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183275 [0,1,0,0,0,0|3,0,0]=4 2793 B18R0.19788 COCCNC(=O)CNCCCCCCCCCO 2230a_100000754632_100009813782 [0,1,0,0,0,0|3,0,0]=4 2794 B18R0.19788 COCCNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183275 [0,1,0,0,0,0|3,0,0]=4 2795 B18R0.19788 COCCNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183275 [0,1,0,0,0,0|3,0,0]=4 2796 B18R0.19788 COCCNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183275 [0,1,0,0,0,0|3,0,0]=4 2797 B18R0.19788 COCCNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183275 [0,1,0,0,0,0|3,0,0]=4 2798 B18R0.19788 COCCNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183275 [0,1,0,0,0,0|3,0,0]=4 2799 B18R0.19788 COCCNC(=O)COCCCCCCCCCN 34a_100000078944_100000183275 [0,1,0,0,0,0|3,0,0]=4 2800 B18R0.19788 COCCNC(=O)CSCCCCCCCCCO 62a_100000183275_100009813782 [0,1,0,0,0,0|3,0,0]=4 2801 B18R0.19788 COCCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183275 [0,1,0,0,0,0|3,0,0]=4 2802 B18R0.19788 COCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000209980 [0,1,0,0,0,0|3,0,0]=4 2803 B18R0.19788 COCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000209980 [0,1,0,0,0,0|3,0,0]=4 2804 B18R0.19788 COCCNC(=O)NCCCCCCCCCCO 273464a_100000209980_100000066964 [0,1,0,0,0,0|3,0,0]=4 2805 B18R0.19788 COCCOC(=O)CNCCCCCCCCCO 2230a_100000078944_200000040189 [0,1,0,0,0,0|2,0,0]=3 2806 B18R0.19788 COCCOC(=O)CNCCCCCCCCCO 34a_100000078944_200000040189 [0,1,0,0,0,0|2,0,0]=3 2807 B18R0.19788 COCCOC(=O)COCCCCCCCCCBr 34a_100009813782_200000040189 [0,1,0,0,0,0|2,0,0]=3 2808 B18R0.19788 COCCOC(=O)COCCCCCCCCCBr 7a_100009813782_200000040189 [0,1,0,0,0,0|2,0,0]=3 2809 B18R0.19788 COCCOC(=O)COCCCCCCCCCCl 34a_100009868337_200000040189 [0,1,0,0,0,0|2,0,0]=3 2810 B18R0.19788 COCCOC(=O)COCCCCCCCCCCl 7a_100009868337_200000040189 [0,1,0,0,0,0|2,0,0]=3 2811 B18R0.19788 COCCOC(=O)COCCCCCCCCCN 34a_100000078944_200000040189 [0,1,0,0,0,0|2,0,0]=3 2812 B18R0.19788 COCCOC(=O)CSCCCCCCCCCO 62a_100009813782_200000040189 [0,1,0,0,0,0|2,0,0]=3 2813 B18R0.19788 COCCOC(=O)CSCCCCCCCCCO 62a_200000040189_100009813782 [0,1,0,0,0,0|2,0,0]=3 2814 B18R0.19788 CSCCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000173376 [0,1,0,0,0,0|3,0,0]=4 2815 B18R0.19788 CSCCNC(=O)CCCCCCCCCCCO 240690a_100020590264_100000037981 [0,1,0,0,0,0|2,0,0]=3 2816 B18R0.19788 CSCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100020590264 [0,1,0,0,0,0|3,0,0]=4 2817 B18R0.19788 CSCCNC(=O)NCCCCCCCCCCO 2708a_100020590264_100000066964 [0,1,0,0,0,0|3,0,0]=4 2818 B18R0.19788 CSCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100020590264 [0,1,0,0,0,0|3,0,0]=4 2819 B18R0.19788 CSCCNC(=O)NCCCCCCCCCCO 273464a_100020590264_100000066964 [0,1,0,0,0,0|3,0,0]=4 2820 B18R0.19788 CSCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100020590264 [0,1,0,0,0,0|3,0,0]=4 2821 B18R0.19788 CSCCNC(=O)NCCCCCCCCCCO 512a_100020590264_100000066964 [0,1,0,0,0,0|3,0,0]=4 2822 B18R0.19788 N#CCCCC(=O)CCCCCCCCCCCO 1458a_100000075515_100009812471 [0,1,0,0,0,0|2,0,1]=4 2823 B18R0.19788 N#CCCNC(=O)CCCCCCCCCCCO 240690a_100000720768_100000037981 [0,1,0,0,0,0|2,0,1]=4 2824 B18R0.19788 O=C(CCCCCCCCCCCO)NCCCF 240690a_100015189416_100000037981 [0,1,0,0,0,0|2,0,0]=3 2825 B18R0.19788 O=C(CCCCCCCCCCCO)NCCCO 240690a_100000182051_100000037981 [0,1,0,0,0,0|2,0,0]=3 2826 B18R0.19788 O=C(CCCCCCCCCCCO)NNCCO 22a_100000210001_100000037981 [0,1,0,0,0,0|3,0,0]=4 2827 B18R0.19788 O=C(NCCCF)NCCCCCCCCCCO 2708a_100000066964_100015189416 [0,1,0,0,0,0|3,0,0]=4 2828 B18R0.19788 O=C(NCCCF)NCCCCCCCCCCO 2708a_100015189416_100000066964 [0,1,0,0,0,0|3,0,0]=4 2829 B18R0.19788 O=C(NCCCF)NCCCCCCCCCCO 273464a_100000066964_100015189416 [0,1,0,0,0,0|3,0,0]=4 2830 B18R0.19788 O=C(NCCCF)NCCCCCCCCCCO 273464a_100015189416_100000066964 [0,1,0,0,0,0|3,0,0]=4 2831 B18R0.19788 O=C(NCCCF)NCCCCCCCCCCO 512a_100000066964_100015189416 [0,1,0,0,0,0|3,0,0]=4 2832 B18R0.19788 O=C(NCCCF)NCCCCCCCCCCO 512a_100015189416_100000066964 [0,1,0,0,0,0|3,0,0]=4 2833 B18R0.19788 O=C(NCCCO)NCCCCCCCCCCO 2708a_100000066964_100000182051 [0,1,0,0,0,0|3,0,0]=4 2834 B18R0.19788 O=C(NCCCO)NCCCCCCCCCCO 273464a_100000066964_100000182051 [0,1,0,0,0,0|3,0,0]=4 2835 B18R0.19788 O=C(NCCCO)NCCCCCCCCCCO 273464a_100000182051_100000066964 [0,1,0,0,0,0|3,0,0]=4 2836 B18R0.19788 O=C(NCCCO)NCCCCCCCCCCO 512a_100000066964_100000182051 [0,1,0,0,0,0|3,0,0]=4 2837 B18R0.19897 CCCCCCC(C)CCOCC(=O)CCCCC 34a_200011024964_200012276598 [0,1,0,0,0,0|2,0,0]=3 2838 B18R0.19897 CCCCCCC(C)CCOCC(=O)CCCCC 7a_200011024964_200012276598 [0,1,0,0,0,0|2,0,0]=3 2839 B18R0.19897 CCCCCCC(C)CCOCC(=O)NCCCC 34a_200011024964_100000182744 [0,1,0,0,0,0|2,0,0]=3 2840 B18R0.19897 CCCCCCC(C)CCOCC(=O)NCCCC 7a_200011024964_100000182744 [0,1,0,0,0,0|2,0,0]=3 2841 B18R0.19897 CCCCCCC(C)CCOCC(=O)NCCOC 34a_200011024964_100000183275 [0,1,0,0,0,0|3,0,0]=4 2842 B18R0.19897 CCCCCCC(C)CCOCC(=O)NCCOC 7a_200011024964_100000183275 [0,1,0,0,0,0|3,0,0]=4 2843 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCCC 34a_200011024964_100000211628 [0,1,0,0,0,0|1,0,0]=2 2844 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCCC 7a_200011024964_100000211628 [0,1,0,0,0,0|1,0,0]=2 2845 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCOC 34a_200011024964_200000040189 [0,1,0,0,0,0|2,0,0]=3 2846 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCOC 7a_200011024964_200000040189 [0,1,0,0,0,0|2,0,0]=3 2847 B18R0.20486 CCCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210326 [0,1,0,0,0,0|2,0,1]=4 2848 B18R0.20486 CCCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000212188_100010282707 [0,1,0,0,0,0|2,0,1]=4 2849 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 11a_100000102301_100000036616 [0,1,0,0,0,0|2,0,1]=4 2850 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 1626a_100000102301_100000036616 [0,1,0,0,0,0|2,0,1]=4 2851 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 240690a_100000102301_100000036616 [0,1,0,0,0,0|2,0,1]=4 2852 B18R0.20486 CCCCOC(=O)COCCCCCCC(=O)OC 34a_100009863599_100000211628 [0,1,0,0,0,0|2,0,1]=4 2853 B18R0.20486 CCCCOC(=O)COCCCCCCC(=O)OC 7a_100009863599_100000211628 [0,1,0,0,0,0|2,0,1]=4 2854 B18R0.20486 CCCCOC(=O)CSCCCCCCC(=O)OC 62a_100000211628_100009815986 [0,1,0,0,0,0|2,0,1]=4 2855 B18R0.20486 CCCCOC(=O)CSCCCCCCC(=O)OC 62a_100009815986_100000211628 [0,1,0,0,0,0|2,0,1]=4 2856 B18R0.20936 CCCCCCCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210759 [0,1,0,0,0,0|1,0,2]=4 2857 B18R0.20936 CCCCCCCCC(C)OCC(=O)CCCCC 34a_100000210740_200012276598 [0,1,0,0,0,0|2,0,0]=3 2858 B18R0.20936 CCCCCCCCC(C)OCC(=O)CCCCC 7a_100000210740_200012276598 [0,1,0,0,0,0|2,0,0]=3 2859 B18R0.20936 CCCCCCCCC(C)OCC(=O)NCCCC 34a_100000210740_100000182744 [0,1,0,0,0,0|2,0,0]=3 2860 B18R0.20936 CCCCCCCCC(C)OCC(=O)NCCCC 7a_100000210740_100000182744 [0,1,0,0,0,0|2,0,0]=3 2861 B18R0.20936 CCCCCCCCC(C)OCC(=O)NCCOC 34a_100000210740_100000183275 [0,1,0,0,0,0|3,0,0]=4 2862 B18R0.20936 CCCCCCCCC(C)OCC(=O)NCCOC 7a_100000210740_100000183275 [0,1,0,0,0,0|3,0,0]=4 2863 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCCC 34a_100000210740_100000211628 [0,1,0,0,0,0|1,0,0]=2 2864 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCCC 7a_100000210740_100000211628 [0,1,0,0,0,0|1,0,0]=2 2865 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCOC 34a_100000210740_200000040189 [0,1,0,0,0,0|2,0,0]=3 2866 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCOC 7a_100000210740_200000040189 [0,1,0,0,0,0|2,0,0]=3 2867 B18R1.1108 CCCCCCCCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100011215454 [0,0,0,1,0,0|3,0,0]=4 2868 B18R1.1108 CCCCCCCCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100011215454 [0,0,0,1,0,0|3,0,0]=4 2869 B18R1.1108 CCCCCCCCCCCN1CCC[C@@H](C1)C 34a_100000717927_100011215454 [0,0,0,1,0,0|3,0,0]=4 2870 B18R1.1280 CCCCCCCCCNC1CCCCNC1=O 2230a_100000212291_100000735217 [0,0,0,1,0,0|2,0,0]=3 2871 B18R1.1280 CCCCCCCCCNC1CCCCNC1=O 2230a_100000698827_100011214924 [0,0,0,1,0,0|2,0,0]=3 2872 B18R1.1280 CCCCCCCCCNC1CCCCNC1=O 34a_100000698827_100011214924 [0,0,0,1,0,0|2,0,0]=3 2873 B18R1.1280 CCCCCCCCCOC1CCCCCC1=O 7a_100000210712_100000243696 [0,0,0,1,0,0|2,0,0]=3 2874 B18R1.1280 CCCCCCCCCOC1CCCCNC1=O 7a_100000210712_100000735217 [0,0,0,1,0,0|2,0,0]=3 2875 B18R1.1280 CCCCCCCCCSC1CCCCCC1=O 62a_100000243696_100000210670 [0,0,0,1,0,0|2,0,0]=3 2876 B18R1.1280 CCCCCCCCCSC1CCCCNC1=O 62a_100000735217_100000210670 [0,0,0,1,0,0|2,0,0]=3 2877 B18R1.1280 CCCCCCNCCCN1CCCCCC1=O 2230a_100000195386_100000210314 [0,0,0,1,0,0|3,0,0]=4 2878 B18R1.1280 CCCCCCNCCCN1CCCCCC1=O 34a_100000195386_100000210314 [0,0,0,1,0,0|3,0,0]=4 2879 B18R1.1280 CCCCCCOCCOC1CCCCCC1=O 7a_100000691444_100000243696 [0,0,0,1,0,0|3,0,0]=4 2880 B18R1.1280 CCCCCCOCCOC1CCCCNC1=O 7a_100000691444_100000735217 [0,0,0,1,0,0|3,0,0]=4 2881 B18R1.1280 CCCCOCCCCOC1CCCCCC1=O 7a_200000760531_100000243696 [0,0,0,1,0,0|3,0,0]=4 2882 B18R1.1280 CCCCOCCCCOC1CCCCNC1=O 7a_200000760531_100000735217 [0,0,0,1,0,0|3,0,0]=4 2883 B18R1.1280 O=C1CCCCCC1OCCCCCCCCBr 7a_100009813846_100000243696 [0,0,0,1,0,0|3,0,0]=4 2884 B18R1.1280 O=C1CCCCCC1OCCCCCCCCCl 7a_100000033203_100000243696 [0,0,0,1,0,0|3,0,0]=4 2885 B18R1.1280 O=C1CCCCCC1SCCCCCCCCO 62a_100000033203_100000243696 [0,0,0,1,0,0|3,0,0]=4 2886 B18R1.1280 O=C1CCCCCC1SCCCCCCCCO 62a_100000243696_100000033203 [0,0,0,1,0,0|3,0,0]=4 2887 B18R1.1280 O=C1NCCCCC1NCCCCCCCCO 2230a_100000698827_100000033203 [0,0,0,1,0,0|3,0,0]=4 2888 B18R1.1280 O=C1NCCCCC1NCCCCCCCCO 2230a_102515433106_100000735217 [0,0,0,1,0,0|3,0,0]=4 2889 B18R1.1280 O=C1NCCCCC1NCCCCCCCCO 34a_100000698827_100000033203 [0,0,0,1,0,0|3,0,0]=4 2890 B18R1.1280 O=C1NCCCCC1OCCCCCCCCBr 7a_100009813846_100000735217 [0,0,0,1,0,0|3,0,0]=4 2891 B18R1.1280 O=C1NCCCCC1OCCCCCCCCCl 7a_100000033203_100000735217 [0,0,0,1,0,0|3,0,0]=4 2892 B18R1.1280 O=C1NCCCCC1SCCCCCCCCO 62a_100000033203_100000735217 [0,0,0,1,0,0|3,0,0]=4 2893 B18R1.1280 O=C1NCCCCC1SCCCCCCCCO 62a_100000735217_100000033203 [0,0,0,1,0,0|3,0,0]=4 2894 B18R1.1327 C=CCCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100009814027 [0,0,0,1,0,0|1,0,2]=4 2895 B18R1.1327 CCCCCCCCCC=CC(=O)C1CCCC1 1458a_200015352897_100000179811 [0,0,0,1,0,0|1,0,2]=4 2896 B18R1.1327 CCCCCCCCCC=CC(=O)N1CCCC1 240690a_100000188435_200015352897 [0,0,0,1,0,0|1,0,2]=4 2897 B18R1.1327 CCCCCCCCCCCC(=O)C1=CCCC1 1458a_100000038896_100011215454 [0,0,0,1,0,0|1,0,1]=3 2898 B18R1.1327 CCCCCCCCCCCC(=O)C1=CCOC1 1458a_100000139269_100011215454 [0,0,0,1,0,0|2,0,1]=4 2899 B18R1.1327 CCCCCCCCCCCC(=O)C1=COCC1 1458a_100000750620_100011215454 [0,0,0,1,0,0|2,0,1]=4 2900 B18R1.1327 CCCCCCCCCCCC(=O)C1CC=CC1 1458a_100000759439_100011215454 [0,0,0,1,0,0|1,0,2]=4 2901 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100011215454 [0,0,0,1,0,0|1,0,0]=2 2902 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCC1 1458a_100000210736_100000179811 [0,0,0,1,0,0|1,0,0]=2 2903 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCS1 1458a_100012002731_100011215454 [0,0,0,1,0,0|2,0,0]=3 2904 B18R1.1327 CCCCCCCCCCCC(=O)C1CCOC1 1458a_100000210736_100000690089 [0,0,0,1,0,0|2,0,0]=3 2905 B18R1.1327 CCCCCCCCCCCC(=O)C1CCOC1 1458a_100011219752_100011215454 [0,0,0,1,0,0|2,0,0]=3 2906 B18R1.1327 CCCCCCCCCCCC(=O)N1CC=CC1 1626a_100015195280_100000210736 [0,0,0,1,0,0|1,0,2]=4 2907 B18R1.1327 CCCCCCCCCCCC(=O)N1CC=CC1 240690a_100015195280_100000210736 [0,0,0,1,0,0|1,0,2]=4 2908 B18R1.1327 CCCCCCCCCCCC(=O)N1CCCC1 240690a_100000188435_100000210736 [0,0,0,1,0,0|1,0,0]=2 2909 B18R1.1327 CCCCCCCCCCCC(=O)N1CCSC1 11a_100011215254_100000210736 [0,0,0,1,0,0|2,0,0]=3 2910 B18R1.1327 CCCCCCCCCCCC(=O)N1CCSC1 240690a_100011215254_100000210736 [0,0,0,1,0,0|2,0,0]=3 2911 B18R1.1327 CCCCCCCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215454 [0,0,0,1,0,0|2,0,0]=3 2912 B18R1.1327 CCCCCCCCCCCC(C)N1CCCC1 270004a_100000188435_100011216755 [0,0,0,1,0,0|2,0,1]=4 2913 B18R1.1327 CCCCCCCCCCCN(C)C1CCCC1 2230a_100000207505_100011215454 [0,0,0,1,0,0|3,0,0]=4 2914 B18R1.1327 CCCCCCCCCCCN(C)C1CCCC1 269982a_100000207505_100011215454 [0,0,0,1,0,0|3,0,0]=4 2915 B18R1.1327 CCCCCCCCCCCN(C)C1CCCC1 34a_100000207505_100011215454 [0,0,0,1,0,0|3,0,0]=4 2916 B18R1.1327 CCCCCCCCCCNC(=O)C1=CCCC1 11a_100000684558_100000038896 [0,0,0,1,0,0|2,0,1]=4 2917 B18R1.1327 CCCCCCCCCCNC(=O)C1=CCCC1 1626a_100000684558_100000038896 [0,0,0,1,0,0|2,0,1]=4 2918 B18R1.1327 CCCCCCCCCCNC(=O)C1=CCCC1 240690a_100000684558_100000038896 [0,0,0,1,0,0|2,0,1]=4 2919 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCC1 11a_100000684558_100000210718 [0,0,0,1,0,0|2,0,0]=3 2920 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCC1 1626a_100000684558_100000210718 [0,0,0,1,0,0|2,0,0]=3 2921 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCC1 240690a_100000684558_100000210718 [0,0,0,1,0,0|2,0,0]=3 2922 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCC1 527a_100000684558_100000210718 [0,0,0,1,0,0|2,0,0]=3 2923 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCS1 11a_100000684558_100012002731 [0,0,0,1,0,0|3,0,0]=4 2924 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCS1 1626a_100000684558_100012002731 [0,0,0,1,0,0|3,0,0]=4 2925 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCS1 240690a_100000684558_100012002731 [0,0,0,1,0,0|3,0,0]=4 2926 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCS1 527a_100000684558_100012002731 [0,0,0,1,0,0|3,0,0]=4 2927 B18R1.1327 CCCCCCCCCCNC(=O)C1CCOC1 11a_100000684558_100011219752 [0,0,0,1,0,0|3,0,0]=4 2928 B18R1.1327 CCCCCCCCCCNC(=O)C1CCOC1 1626a_100000684558_100011219752 [0,0,0,1,0,0|3,0,0]=4 2929 B18R1.1327 CCCCCCCCCCNC(=O)C1CCOC1 240690a_100000684558_100011219752 [0,0,0,1,0,0|3,0,0]=4 2930 B18R1.1327 CCCCCCCCCCNC(=O)C1CCOC1 527a_100000684558_100011219752 [0,0,0,1,0,0|3,0,0]=4 2931 B18R1.1327 CCCCCCCCCCNC(=O)N1CCCC1 2708a_100000684558_100000188435 [0,0,0,1,0,0|2,0,0]=3 2932 B18R1.1327 CCCCCCCCCCNC(=O)N1CCCC1 273464a_100000684558_100000188435 [0,0,0,1,0,0|2,0,0]=3 2933 B18R1.1327 CCCCCCCCCCNC(=O)N1CCSC1 2708a_100000684558_100011215254 [0,0,0,1,0,0|3,0,0]=4 2934 B18R1.1327 CCCCCCCCCCNC(=O)N1CCSC1 273464a_100000684558_100011215254 [0,0,0,1,0,0|3,0,0]=4 2935 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 11a_100000684558_100000686382 [0,0,0,1,0,0|3,0,0]=4 2936 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 1626a_100000684558_100000686382 [0,0,0,1,0,0|3,0,0]=4 2937 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 240690a_100000684558_100000686382 [0,0,0,1,0,0|3,0,0]=4 2938 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 527a_100000684558_100000686382 [0,0,0,1,0,0|3,0,0]=4 2939 B18R1.1327 CCCCCCCCCNCC(=O)N1CCCC1 2230a_100000212291_100000183516 [0,0,0,1,0,0|2,0,0]=3 2940 B18R1.1327 CCCCCCCCCNCC(=O)N1CCCC1 2230a_100000751844_100011214924 [0,0,0,1,0,0|2,0,0]=3 2941 B18R1.1327 CCCCCCCCCNCC(=O)N1CCCC1 34a_100000212291_100000183516 [0,0,0,1,0,0|2,0,0]=3 2942 B18R1.1327 CCCCCCCCCOCC(=O)N1CCCC1 34a_100000210712_100000183516 [0,0,0,1,0,0|2,0,0]=3 2943 B18R1.1327 CCCCCCCCCOCC(=O)N1CCCC1 7a_100000210712_100000183516 [0,0,0,1,0,0|2,0,0]=3 2944 B18R1.1327 CCCCCCCCCOCC(=O)N1CCCC1 7a_200000752455_100000210328 [0,0,0,1,0,0|2,0,0]=3 2945 B18R1.1327 CCCCCCCCCSCC(=O)N1CCCC1 62a_100000183516_100000210670 [0,0,0,1,0,0|2,0,0]=3 2946 B18R1.1327 CCCCCCCCNCCC(=O)N1CCCC1 2230a_100000229939_100011194422 [0,0,0,1,0,0|2,0,0]=3 2947 B18R1.1327 CCCCCCCCNCCC(=O)N1CCCC1 34a_100000229939_100011194422 [0,0,0,1,0,0|2,0,0]=3 2948 B18R1.1327 CCCCCCCCOCCC(=O)N1CCCC1 34a_100000210232_100011194422 [0,0,0,1,0,0|2,0,0]=3 2949 B18R1.1327 CCCCCCCCOCCC(=O)N1CCCC1 7a_100000210232_100011194422 [0,0,0,1,0,0|2,0,0]=3 2950 B18R1.1327 CCCCCCCCSCCC(=O)N1CCCC1 62a_100000210759_100011194422 [0,0,0,1,0,0|2,0,0]=3 2951 B18R1.1327 CCCCCCCCSCCC(=O)N1CCCC1 62a_100011194422_100000210317 [0,0,0,1,0,0|2,0,0]=3 2952 B18R1.1327 CCCCCCOCCOCC(=O)N1CCCC1 34a_100000691444_100000183516 [0,0,0,1,0,0|3,0,0]=4 2953 B18R1.1327 CCCCCCOCCOCC(=O)N1CCCC1 7a_100000691444_100000183516 [0,0,0,1,0,0|3,0,0]=4 2954 B18R1.1327 CCCCCNCCOCCC(=O)N1CCCC1 34a_100000224656_100011194422 [0,0,0,1,0,0|3,0,0]=4 2955 B18R1.1327 CCCCCOCCOCCC(=O)N1CCCC1 34a_100011215259_100011194422 [0,0,0,1,0,0|3,0,0]=4 2956 B18R1.1327 CCCCCOCCOCCC(=O)N1CCCC1 7a_100011215259_100011194422 [0,0,0,1,0,0|3,0,0]=4 2957 B18R1.1327 CCCCNCCCCOCC(=O)N1CCCC1 34a_200011216965_100000183516 [0,0,0,1,0,0|3,0,0]=4 2958 B18R1.1327 CCCCOCCCCOCC(=O)N1CCCC1 34a_200000760531_100000183516 [0,0,0,1,0,0|3,0,0]=4 2959 B18R1.1327 CCCCOCCCCOCC(=O)N1CCCC1 7a_200000760531_100000183516 [0,0,0,1,0,0|3,0,0]=4 2960 B18R1.1327 CCCCOCCCNCCC(=O)N1CCCC1 2230a_200000211371_100011194422 [0,0,0,1,0,0|3,0,0]=4 2961 B18R1.1327 CCCCOCCCNCCC(=O)N1CCCC1 34a_200000211371_100011194422 [0,0,0,1,0,0|3,0,0]=4 2962 B18R1.1327 CCCCOCCCOCCC(=O)N1CCCC1 34a_200011215613_100011194422 [0,0,0,1,0,0|3,0,0]=4 2963 B18R1.1327 CCCCOCCCOCCC(=O)N1CCCC1 7a_200011215613_100011194422 [0,0,0,1,0,0|3,0,0]=4 2964 B18R1.1327 COCCCCCCOCCC(=O)N1CCCC1 34a_200012092642_100011194422 [0,0,0,1,0,0|3,0,0]=4 2965 B18R1.1327 COCCCCCCOCCC(=O)N1CCCC1 7a_200012092642_100011194422 [0,0,0,1,0,0|3,0,0]=4 2966 B18R1.1327 COCCCCCCSCCC(=O)N1CCCC1 62a_100011194422_100011998445 [0,0,0,1,0,0|3,0,0]=4 2967 B18R1.1327 COCCCCCCSCCC(=O)N1CCCC1 62a_100011998445_100011194422 [0,0,0,1,0,0|3,0,0]=4 2968 B18R1.1327 NCCCCCCCCOCC(=O)N1CCCC1 34a_102515433106_100000183516 [0,0,0,1,0,0|3,0,0]=4 2969 B18R1.1327 NCCCCCCCOCCC(=O)N1CCCC1 34a_100011996573_100011194422 [0,0,0,1,0,0|3,0,0]=4 2970 B18R1.1327 O=C(CCCCCCCCCCO)C1=CCCC1 1458a_100000038896_100009813290 [0,0,0,1,0,0|2,0,1]=4 2971 B18R1.1327 O=C(CCCCCCCCCCO)C1CCCC1 1458a_100000210718_100009813290 [0,0,0,1,0,0|2,0,0]=3 2972 B18R1.1327 O=C(CCCCCCCCCCO)C1CCCS1 1458a_100012002731_100009813290 [0,0,0,1,0,0|3,0,0]=4 2973 B18R1.1327 O=C(CCCCCCCCCCO)C1CCOC1 1458a_100011219752_100009813290 [0,0,0,1,0,0|3,0,0]=4 2974 B18R1.1327 O=C(CCCCCCCCCCO)N1CCCC1 240690a_100000188435_200000016029 [0,0,0,1,0,0|2,0,0]=3 2975 B18R1.1327 O=C(CCCCCCCCCCO)N1CCSC1 240690a_100011215254_200000016029 [0,0,0,1,0,0|3,0,0]=4 2976 B18R1.1327 O=C(CCCCCCCCCCO)[C@@H]1CCCO1 1458a_100000686382_100009813290 [0,0,0,1,0,0|3,0,0]=4 2977 B18R1.1327 O=C(CCNCCCCCCCO)N1CCCC1 2230a_100011996573_100011194422 [0,0,0,1,0,0|3,0,0]=4 2978 B18R1.1327 O=C(CCNCCCCCCCO)N1CCCC1 34a_100011996573_100011194422 [0,0,0,1,0,0|3,0,0]=4 2979 B18R1.1327 O=C(CCOCCCCCCCBr)N1CCCC1 34a_100000760002_100011194422 [0,0,0,1,0,0|3,0,0]=4 2980 B18R1.1327 O=C(CCOCCCCCCCBr)N1CCCC1 7a_100000760002_100011194422 [0,0,0,1,0,0|3,0,0]=4 2981 B18R1.1327 O=C(CCSCCCCCCCO)N1CCCC1 62a_100000760002_100011194422 [0,0,0,1,0,0|3,0,0]=4 2982 B18R1.1327 O=C(CCSCCCCCCCO)N1CCCC1 62a_100011194422_100000760002 [0,0,0,1,0,0|3,0,0]=4 2983 B18R1.1327 O=C(CNCCCCCCCCO)N1CCCC1 2230a_100000751844_100000033203 [0,0,0,1,0,0|3,0,0]=4 2984 B18R1.1327 O=C(CNCCCCCCCCO)N1CCCC1 2230a_102515433106_100000183516 [0,0,0,1,0,0|3,0,0]=4 2985 B18R1.1327 O=C(CNCCCCCCCCO)N1CCCC1 34a_102515433106_100000183516 [0,0,0,1,0,0|3,0,0]=4 2986 B18R1.1327 O=C(COCCCCCCCCBr)N1CCCC1 34a_100009813846_100000183516 [0,0,0,1,0,0|3,0,0]=4 2987 B18R1.1327 O=C(COCCCCCCCCBr)N1CCCC1 7a_100009813846_100000183516 [0,0,0,1,0,0|3,0,0]=4 2988 B18R1.1327 O=C(COCCCCCCCCCl)N1CCCC1 34a_100000033203_100000183516 [0,0,0,1,0,0|3,0,0]=4 2989 B18R1.1327 O=C(COCCCCCCCCCl)N1CCCC1 7a_100000033203_100000183516 [0,0,0,1,0,0|3,0,0]=4 2990 B18R1.1327 O=C(COCCCCCCCCO)N1CCCC1 7a_200000752455_100000033203 [0,0,0,1,0,0|3,0,0]=4 2991 B18R1.1327 O=C(CSCCCCCCCCO)N1CCCC1 62a_100000033203_100000183516 [0,0,0,1,0,0|3,0,0]=4 2992 B18R1.1327 O=C(CSCCCCCCCCO)N1CCCC1 62a_100000183516_100000033203 [0,0,0,1,0,0|3,0,0]=4 2993 B18R1.1327 O=C(NCCCCCCCCCO)C1CCCC1 240690a_100000078944_100000210718 [0,0,0,1,0,0|3,0,0]=4 2994 B18R1.1327 O=C(NCCCCCCCCCO)N1CCCC1 2708a_100000078944_100000188435 [0,0,0,1,0,0|3,0,0]=4 2995 B18R1.1327 O=C(NCCCCCCCCCO)N1CCCC1 273464a_100000078944_100000188435 [0,0,0,1,0,0|3,0,0]=4 2996 B18R1.1687 CCCCCC(=O)CNCCN1CCCCC1C 2230a_100000739827_200012276598 [0,0,0,1,0,0|3,0,0]=4 2997 B18R1.1687 CCCCCC(=O)CNCCN1CCCCC1C 34a_100000739827_200012276598 [0,0,0,1,0,0|3,0,0]=4 2998 B18R1.1687 CCCCCC(=O)COCCN1CCCCC1C 34a_100011305533_200012276598 [0,0,0,1,0,0|3,0,0]=4 2999 B18R1.1687 CCCCCC(=O)CSCCC1CCCCN1C 62a_100000211948_200012276598 [0,0,0,1,0,0|3,0,0]=4 3000 B18R1.1687 CCCCCC(=O)CSCCC1CCCCN1C 62a_200012276598_100000211948 [0,0,0,1,0,0|3,0,0]=4 3001 B18R1.1687 CCCCCC(=O)NCCCN1CCCCC1C 240690a_100000212276_100000212188 [0,0,0,1,0,0|3,0,0]=4 3002 B18R1.1687 CCCCCC(=O)NCCCN1CCCCC1C 527a_100000212276_100000212188 [0,0,0,1,0,0|3,0,0]=4 3003 B18R1.1687 CCCCNC(=O)CNCCN1CCCCC1C 2230a_100000739827_100000182744 [0,0,0,1,0,0|3,0,0]=4 3004 B18R1.1687 CCCCNC(=O)CNCCN1CCCCC1C 34a_100000739827_100000182744 [0,0,0,1,0,0|3,0,0]=4 3005 B18R1.1687 CCCCNC(=O)COCCN1CCCCC1C 34a_100011305533_100000182744 [0,0,0,1,0,0|3,0,0]=4 3006 B18R1.1687 CCCCNC(=O)CSCCC1CCCCN1C 62a_100000182744_100000211948 [0,0,0,1,0,0|3,0,0]=4 3007 B18R1.1687 CCCCNC(=O)CSCCC1CCCCN1C 62a_100000211948_100000182744 [0,0,0,1,0,0|3,0,0]=4 3008 B18R1.1687 CCCCNC(=O)NCCCN1CCCCC1C 2708a_100000102301_100000212276 [0,0,0,1,0,0|3,0,0]=4 3009 B18R1.1687 CCCCNC(=O)NCCCN1CCCCC1C 273464a_100000102301_100000212276 [0,0,0,1,0,0|3,0,0]=4 3010 B18R1.1687 CCCCNC(=O)NCCCN1CCCCC1C 273464a_100000212276_100000102301 [0,0,0,1,0,0|3,0,0]=4 3011 B18R1.1687 CCCCNC(=O)NCCCN1CCCCC1C 512a_100000102301_100000212276 [0,0,0,1,0,0|3,0,0]=4 3012 B18R1.1687 CCCCOC(=O)CNCCN1CCCCC1C 2230a_100000739827_100000211628 [0,0,0,1,0,0|2,0,0]=3 3013 B18R1.1687 CCCCOC(=O)CNCCN1CCCCC1C 34a_100000739827_100000211628 [0,0,0,1,0,0|2,0,0]=3 3014 B18R1.1687 CCCCOC(=O)COCCN1CCCCC1C 34a_100011305533_100000211628 [0,0,0,1,0,0|2,0,0]=3 3015 B18R1.1687 CCCCOC(=O)CSCCC1CCCCN1C 62a_100000211628_100000211948 [0,0,0,1,0,0|2,0,0]=3 3016 B18R1.1687 CCCCOC(=O)CSCCC1CCCCN1C 62a_100000211948_100000211628 [0,0,0,1,0,0|2,0,0]=3 3017 B18R1.1687 COCCOC(=O)CNCCN1CCCCC1C 2230a_100000739827_200000040189 [0,0,0,1,0,0|3,0,0]=4 3018 B18R1.1687 COCCOC(=O)CNCCN1CCCCC1C 34a_100000739827_200000040189 [0,0,0,1,0,0|3,0,0]=4 3019 B18R1.1687 COCCOC(=O)COCCN1CCCCC1C 34a_100011305533_200000040189 [0,0,0,1,0,0|3,0,0]=4 3020 B18R1.1687 COCCOC(=O)CSCCC1CCCCN1C 62a_100000211948_200000040189 [0,0,0,1,0,0|3,0,0]=4 3021 B18R1.1687 COCCOC(=O)CSCCC1CCCCN1C 62a_200000040189_100000211948 [0,0,0,1,0,0|3,0,0]=4 3022 B18R1.1731 CCCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210326 [0,0,0,1,0,0|2,0,0]=3 3023 B18R1.1731 CCCCCC(=O)CCCCCN1CCOCC1 1458a_100012051560_100000210326 [0,0,0,1,0,0|3,0,0]=4 3024 B18R1.1731 CCCCCC(=O)CCCCOC1CCCCO1 1458a_100000212188_100000031530 [0,0,0,1,0,0|3,0,0]=4 3025 B18R1.1731 CCCCCC(=O)CNCCCC1CCCCC1 2230a_100011211642_200012276598 [0,0,0,1,0,0|2,0,0]=3 3026 B18R1.1731 CCCCCC(=O)CNCCCC1CCCCC1 34a_100011211642_200012276598 [0,0,0,1,0,0|2,0,0]=3 3027 B18R1.1731 CCCCCC(=O)CNCCOC1CCCCC1 34a_100015206981_200012276598 [0,0,0,1,0,0|3,0,0]=4 3028 B18R1.1731 CCCCCC(=O)COCCCC1CCCCC1 34a_100000198086_200012276598 [0,0,0,1,0,0|2,0,0]=3 3029 B18R1.1731 CCCCCC(=O)COCCCC1CCCCC1 7a_100000198086_200012276598 [0,0,0,1,0,0|2,0,0]=3 3030 B18R1.1731 CCCCCC(=O)COCCCC1CCCCN1 34a_100011934581_200012276598 [0,0,0,1,0,0|3,0,0]=4 3031 B18R1.1731 CCCCCC(=O)COCCCC1CCCNC1 34a_100150707839_200012276598 [0,0,0,1,0,0|3,0,0]=4 3032 B18R1.1731 CCCCCC(=O)COCCCC1CCNCC1 34a_100016988962_200012276598 [0,0,0,1,0,0|3,0,0]=4 3033 B18R1.1731 CCCCCC(=O)COCCCN1CCCCC1 34a_100000212458_200012276598 [0,0,0,1,0,0|3,0,0]=4 3034 B18R1.1731 CCCCCC(=O)COCCNC1CCCCC1 34a_100000200466_200012276598 [0,0,0,1,0,0|3,0,0]=4 3035 B18R1.1731 CCCCCC(=O)COCCOC1CCCCC1 34a_100011249652_200012276598 [0,0,0,1,0,0|3,0,0]=4 3036 B18R1.1731 CCCCCC(=O)COCCOC1CCCCC1 7a_100011249652_200012276598 [0,0,0,1,0,0|3,0,0]=4 3037 B18R1.1731 CCCCCC(=O)CSCCCC1CCCCC1 62a_100011713725_200012276598 [0,0,0,1,0,0|2,0,0]=3 3038 B18R1.1731 CCCCCC(=O)CSCCCC1CCCCC1 62a_200012276598_100011713725 [0,0,0,1,0,0|2,0,0]=3 3039 B18R1.1731 CCCCCC(=O)CSCCCN1CCCCC1 62a_100132302099_200012276598 [0,0,0,1,0,0|3,0,0]=4 3040 B18R1.1731 CCCCCC(=O)CSCCCN1CCCCC1 62a_200012276598_100000007876 [0,0,0,1,0,0|3,0,0]=4 3041 B18R1.1731 CCCCCC(=O)CSCCOC1CCCCC1 62a_100011211530_200012276598 [0,0,0,1,0,0|3,0,0]=4 3042 B18R1.1731 CCCCCC(=O)CSCCOC1CCCCC1 62a_200012276598_100011211530 [0,0,0,1,0,0|3,0,0]=4 3043 B18R1.1731 CCCCCC(=O)NCCCCN1CCCCC1 240690a_200011207366_100000212188 [0,0,0,1,0,0|3,0,0]=4 3044 B18R1.1731 CCCCCC(=O)NCCCOC1CCCCC1 11a_100000205933_100000212188 [0,0,0,1,0,0|3,0,0]=4 3045 B18R1.1731 CCCCCC(=O)NCCCOC1CCCCC1 1626a_100000205933_100000212188 [0,0,0,1,0,0|3,0,0]=4 3046 B18R1.1731 CCCCCC(=O)NCCCOC1CCCCC1 240690a_100000205933_100000212188 [0,0,0,1,0,0|3,0,0]=4 3047 B18R1.1731 CCCCCC(=O)NCCCOC1CCCCC1 527a_100000205933_100000212188 [0,0,0,1,0,0|3,0,0]=4 3048 B18R1.1731 CCCCNC(=O)CCCCCN1CCCCC1 11a_100000102301_100012051570 [0,0,0,1,0,0|2,0,0]=3 3049 B18R1.1731 CCCCNC(=O)CCCCCN1CCCCC1 240690a_100000102301_100012051570 [0,0,0,1,0,0|2,0,0]=3 3050 B18R1.1731 CCCCNC(=O)CCCCCN1CCOCC1 11a_100000102301_100012051560 [0,0,0,1,0,0|3,0,0]=4 3051 B18R1.1731 CCCCNC(=O)CCCCCN1CCOCC1 240690a_100000102301_100012051560 [0,0,0,1,0,0|3,0,0]=4 3052 B18R1.1731 CCCCNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000182744 [0,0,0,1,0,0|2,0,0]=3 3053 B18R1.1731 CCCCNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000182744 [0,0,0,1,0,0|2,0,0]=3 3054 B18R1.1731 CCCCNC(=O)CNCCOC1CCCCC1 34a_100015206981_100000182744 [0,0,0,1,0,0|3,0,0]=4 3055 B18R1.1731 CCCCNC(=O)COCCCC1CCCCC1 34a_100000198086_100000182744 [0,0,0,1,0,0|2,0,0]=3 3056 B18R1.1731 CCCCNC(=O)COCCCC1CCCCC1 7a_100000198086_100000182744 [0,0,0,1,0,0|2,0,0]=3 3057 B18R1.1731 CCCCNC(=O)COCCCC1CCCCN1 34a_100011934581_100000182744 [0,0,0,1,0,0|3,0,0]=4 3058 B18R1.1731 CCCCNC(=O)COCCCC1CCCNC1 34a_100150707839_100000182744 [0,0,0,1,0,0|3,0,0]=4 3059 B18R1.1731 CCCCNC(=O)COCCCC1CCNCC1 34a_100016988962_100000182744 [0,0,0,1,0,0|3,0,0]=4 3060 B18R1.1731 CCCCNC(=O)COCCCN1CCCCC1 34a_100000212458_100000182744 [0,0,0,1,0,0|3,0,0]=4 3061 B18R1.1731 CCCCNC(=O)COCCNC1CCCCC1 34a_100000200466_100000182744 [0,0,0,1,0,0|3,0,0]=4 3062 B18R1.1731 CCCCNC(=O)COCCOC1CCCCC1 34a_100011249652_100000182744 [0,0,0,1,0,0|3,0,0]=4 3063 B18R1.1731 CCCCNC(=O)COCCOC1CCCCC1 7a_100011249652_100000182744 [0,0,0,1,0,0|3,0,0]=4 3064 B18R1.1731 CCCCNC(=O)CSCCCC1CCCCC1 62a_100000182744_100011713725 [0,0,0,1,0,0|2,0,0]=3 3065 B18R1.1731 CCCCNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000182744 [0,0,0,1,0,0|2,0,0]=3 3066 B18R1.1731 CCCCNC(=O)CSCCCN1CCCCC1 62a_100000182744_100000007876 [0,0,0,1,0,0|3,0,0]=4 3067 B18R1.1731 CCCCNC(=O)CSCCCN1CCCCC1 62a_100132302099_100000182744 [0,0,0,1,0,0|3,0,0]=4 3068 B18R1.1731 CCCCNC(=O)CSCCOC1CCCCC1 62a_100000182744_100011211530 [0,0,0,1,0,0|3,0,0]=4 3069 B18R1.1731 CCCCNC(=O)CSCCOC1CCCCC1 62a_100011211530_100000182744 [0,0,0,1,0,0|3,0,0]=4 3070 B18R1.1731 CCCCNC(=O)NCCCCN1CCCCC1 2708a_100000102301_200011207366 [0,0,0,1,0,0|3,0,0]=4 3071 B18R1.1731 CCCCNC(=O)NCCCCN1CCCCC1 2708a_200011207366_100000102301 [0,0,0,1,0,0|3,0,0]=4 3072 B18R1.1731 CCCCNC(=O)NCCCCN1CCCCC1 273464a_100000102301_200011207366 [0,0,0,1,0,0|3,0,0]=4 3073 B18R1.1731 CCCCNC(=O)NCCCCN1CCCCC1 273464a_200011207366_100000102301 [0,0,0,1,0,0|3,0,0]=4 3074 B18R1.1731 CCCCNC(=O)NCCCCN1CCCCC1 512a_100000102301_200011207366 [0,0,0,1,0,0|3,0,0]=4 3075 B18R1.1731 CCCCNC(=O)NCCCOC1CCCCC1 2708a_100000102301_100000205933 [0,0,0,1,0,0|3,0,0]=4 3076 B18R1.1731 CCCCNC(=O)NCCCOC1CCCCC1 2708a_100000205933_100000102301 [0,0,0,1,0,0|3,0,0]=4 3077 B18R1.1731 CCCCNC(=O)NCCCOC1CCCCC1 273464a_100000102301_100000205933 [0,0,0,1,0,0|3,0,0]=4 3078 B18R1.1731 CCCCNC(=O)NCCCOC1CCCCC1 273464a_100000205933_100000102301 [0,0,0,1,0,0|3,0,0]=4 3079 B18R1.1731 CCCCNC(=O)NCCCOC1CCCCC1 512a_100000102301_100000205933 [0,0,0,1,0,0|3,0,0]=4 3080 B18R1.1731 CCCCNC(=O)NCCCOC1CCCCC1 512a_100000205933_100000102301 [0,0,0,1,0,0|3,0,0]=4 3081 B18R1.1731 CCCCOC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000211628 [0,0,0,1,0,0|1,0,0]=2 3082 B18R1.1731 CCCCOC(=O)CNCCCC1CCCCC1 34a_100011211642_100000211628 [0,0,0,1,0,0|1,0,0]=2 3083 B18R1.1731 CCCCOC(=O)CNCCOC1CCCCC1 34a_100015206981_100000211628 [0,0,0,1,0,0|2,0,0]=3 3084 B18R1.1731 CCCCOC(=O)COCCCC1CCCCC1 34a_100000198086_100000211628 [0,0,0,1,0,0|1,0,0]=2 3085 B18R1.1731 CCCCOC(=O)COCCCC1CCCCC1 7a_100000198086_100000211628 [0,0,0,1,0,0|1,0,0]=2 3086 B18R1.1731 CCCCOC(=O)COCCCC1CCCCN1 34a_100011934581_100000211628 [0,0,0,1,0,0|2,0,0]=3 3087 B18R1.1731 CCCCOC(=O)COCCCC1CCCNC1 34a_100150707839_100000211628 [0,0,0,1,0,0|2,0,0]=3 3088 B18R1.1731 CCCCOC(=O)COCCCC1CCNCC1 34a_100016988962_100000211628 [0,0,0,1,0,0|2,0,0]=3 3089 B18R1.1731 CCCCOC(=O)COCCCN1CCCCC1 34a_100000212458_100000211628 [0,0,0,1,0,0|2,0,0]=3 3090 B18R1.1731 CCCCOC(=O)COCCCN1CCOCC1 34a_100000212840_100000211628 [0,0,0,1,0,0|3,0,0]=4 3091 B18R1.1731 CCCCOC(=O)COCCNC1CCCCC1 34a_100000200466_100000211628 [0,0,0,1,0,0|2,0,0]=3 3092 B18R1.1731 CCCCOC(=O)COCCNC1CCOCC1 34a_100000708129_100000211628 [0,0,0,1,0,0|3,0,0]=4 3093 B18R1.1731 CCCCOC(=O)COCCOC1CCCCC1 34a_100011249652_100000211628 [0,0,0,1,0,0|2,0,0]=3 3094 B18R1.1731 CCCCOC(=O)COCCOC1CCCCC1 7a_100011249652_100000211628 [0,0,0,1,0,0|2,0,0]=3 3095 B18R1.1731 CCCCOC(=O)COCCOC1CCCCO1 34a_100000034223_100000211628 [0,0,0,1,0,0|3,0,0]=4 3096 B18R1.1731 CCCCOC(=O)COCCOC1CCCCO1 7a_100000034223_100000211628 [0,0,0,1,0,0|3,0,0]=4 3097 B18R1.1731 CCCCOC(=O)CSCCCC1CCCCC1 62a_100000211628_100011713725 [0,0,0,1,0,0|1,0,0]=2 3098 B18R1.1731 CCCCOC(=O)CSCCCC1CCCCC1 62a_100011713725_100000211628 [0,0,0,1,0,0|1,0,0]=2 3099 B18R1.1731 CCCCOC(=O)CSCCCN1CCCCC1 62a_100000211628_100000007876 [0,0,0,1,0,0|2,0,0]=3 3100 B18R1.1731 CCCCOC(=O)CSCCCN1CCCCC1 62a_100132302099_100000211628 [0,0,0,1,0,0|2,0,0]=3 3101 B18R1.1731 CCCCOC(=O)CSCCCN1CCOCC1 62a_100000211628_100000748698 [0,0,0,1,0,0|3,0,0]=4 3102 B18R1.1731 CCCCOC(=O)CSCCOC1CCCCC1 62a_100000211628_100011211530 [0,0,0,1,0,0|2,0,0]=3 3103 B18R1.1731 CCCCOC(=O)CSCCOC1CCCCC1 62a_100011211530_100000211628 [0,0,0,1,0,0|2,0,0]=3 3104 B18R1.1731 CCCCOC(=O)CSCCOC1CCCCO1 62a_100000211628_100000744793 [0,0,0,1,0,0|3,0,0]=4 3105 B18R1.1731 CCCCOC(=O)CSCCOC1CCCCO1 62a_100000744793_100000211628 [0,0,0,1,0,0|3,0,0]=4 3106 B18R1.1731 CCCNNC(=O)CCCCCN1CCCCC1 22a_100000740057_100012051570 [0,0,0,1,0,0|3,0,0]=4 3107 B18R1.1731 CCOCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011215890 [0,0,0,1,0,0|3,0,0]=4 3108 B18R1.1731 CCSCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000757381 [0,0,0,1,0,0|3,0,0]=4 3109 B18R1.1731 COCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000740836 [0,0,0,1,0,0|3,0,0]=4 3110 B18R1.1731 COCCNC(=O)CCCCCN1CCCCC1 240690a_100000209980_100012051570 [0,0,0,1,0,0|3,0,0]=4 3111 B18R1.1731 COCCNC(=O)CNCCCC1CCCCC1 2230a_100000754632_100011713725 [0,0,0,1,0,0|3,0,0]=4 3112 B18R1.1731 COCCNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183275 [0,0,0,1,0,0|3,0,0]=4 3113 B18R1.1731 COCCNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183275 [0,0,0,1,0,0|3,0,0]=4 3114 B18R1.1731 COCCNC(=O)COCCCC1CCCCC1 34a_100000198086_100000183275 [0,0,0,1,0,0|3,0,0]=4 3115 B18R1.1731 COCCNC(=O)COCCCC1CCCCC1 7a_100000198086_100000183275 [0,0,0,1,0,0|3,0,0]=4 3116 B18R1.1731 COCCNC(=O)CSCCCC1CCCCC1 62a_100000183275_100011713725 [0,0,0,1,0,0|3,0,0]=4 3117 B18R1.1731 COCCNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183275 [0,0,0,1,0,0|3,0,0]=4 3118 B18R1.1731 COCCOC(=O)CNCCCC1CCCCC1 2230a_100011211642_200000040189 [0,0,0,1,0,0|2,0,0]=3 3119 B18R1.1731 COCCOC(=O)CNCCCC1CCCCC1 34a_100011211642_200000040189 [0,0,0,1,0,0|2,0,0]=3 3120 B18R1.1731 COCCOC(=O)CNCCOC1CCCCC1 34a_100015206981_200000040189 [0,0,0,1,0,0|3,0,0]=4 3121 B18R1.1731 COCCOC(=O)COCCCC1CCCCC1 34a_100000198086_200000040189 [0,0,0,1,0,0|2,0,0]=3 3122 B18R1.1731 COCCOC(=O)COCCCC1CCCCC1 7a_100000198086_200000040189 [0,0,0,1,0,0|2,0,0]=3 3123 B18R1.1731 COCCOC(=O)COCCCC1CCCCN1 34a_100011934581_200000040189 [0,0,0,1,0,0|3,0,0]=4 3124 B18R1.1731 COCCOC(=O)COCCCC1CCCNC1 34a_100150707839_200000040189 [0,0,0,1,0,0|3,0,0]=4 3125 B18R1.1731 COCCOC(=O)COCCCC1CCNCC1 34a_100016988962_200000040189 [0,0,0,1,0,0|3,0,0]=4 3126 B18R1.1731 COCCOC(=O)COCCCN1CCCCC1 34a_100000212458_200000040189 [0,0,0,1,0,0|3,0,0]=4 3127 B18R1.1731 COCCOC(=O)COCCNC1CCCCC1 34a_100000200466_200000040189 [0,0,0,1,0,0|3,0,0]=4 3128 B18R1.1731 COCCOC(=O)COCCOC1CCCCC1 34a_100011249652_200000040189 [0,0,0,1,0,0|3,0,0]=4 3129 B18R1.1731 COCCOC(=O)COCCOC1CCCCC1 7a_100011249652_200000040189 [0,0,0,1,0,0|3,0,0]=4 3130 B18R1.1731 COCCOC(=O)CSCCCC1CCCCC1 62a_100011713725_200000040189 [0,0,0,1,0,0|2,0,0]=3 3131 B18R1.1731 COCCOC(=O)CSCCCC1CCCCC1 62a_200000040189_100011713725 [0,0,0,1,0,0|2,0,0]=3 3132 B18R1.1731 COCCOC(=O)CSCCCN1CCCCC1 62a_100132302099_200000040189 [0,0,0,1,0,0|3,0,0]=4 3133 B18R1.1731 COCCOC(=O)CSCCCN1CCCCC1 62a_200000040189_100000007876 [0,0,0,1,0,0|3,0,0]=4 3134 B18R1.1731 COCCOC(=O)CSCCOC1CCCCC1 62a_100011211530_200000040189 [0,0,0,1,0,0|3,0,0]=4 3135 B18R1.1731 COCCOC(=O)CSCCOC1CCCCC1 62a_200000040189_100011211530 [0,0,0,1,0,0|3,0,0]=4 3136 B18R1.1731 CSCCNC(=O)CCCCCN1CCCCC1 11a_100020590264_100012051570 [0,0,0,1,0,0|3,0,0]=4 3137 B18R1.1731 CSCCNC(=O)CCCCCN1CCCCC1 240690a_100020590264_100012051570 [0,0,0,1,0,0|3,0,0]=4 3138 B18R1.1731 O=C(CCCCCN1CCCCC1)NCCCF 11a_100015189416_100012051570 [0,0,0,1,0,0|3,0,0]=4 3139 B18R1.1731 O=C(CCCCCN1CCCCC1)NCCCF 240690a_100015189416_100012051570 [0,0,0,1,0,0|3,0,0]=4 3140 B18R1.1731 O=C(CCCCCN1CCCCC1)NCCCO 240690a_100000182051_100012051570 [0,0,0,1,0,0|3,0,0]=4 3141 B18R1.1731 O=C(CCCCF)CCCCCN1CCCCC1 1458a_100012051570_100000729493 [0,0,0,1,0,0|3,0,0]=4 3142 B18R1.1731 O=C(CCCCO)CCCCCN1CCCCC1 1458a_100012051570_100000210776 [0,0,0,1,0,0|3,0,0]=4 3143 B18R1.1748 CCCCCC(=O)CNCC1CCCCN1CC 2230a_100000754393_200012276598 [0,0,0,1,0,0|3,0,0]=4 3144 B18R1.1748 CCCCCC(=O)CNCC1CCCCN1CC 34a_100000754393_200012276598 [0,0,0,1,0,0|3,0,0]=4 3145 B18R1.1748 CCCCCC(=O)COCC1CCCCN1CC 34a_100000225091_200012276598 [0,0,0,1,0,0|3,0,0]=4 3146 B18R1.1748 CCCCCC(=O)COCC1CCCCN1CC 7a_100000225091_200012276598 [0,0,0,1,0,0|3,0,0]=4 3147 B18R1.1748 CCCCCC(=O)NCCN1CCCCC1CC 11a_100000755458_100000212188 [0,0,0,1,0,0|3,0,0]=4 3148 B18R1.1748 CCCCCC(=O)NCCN1CCCCC1CC 1626a_100000755458_100000212188 [0,0,0,1,0,0|3,0,0]=4 3149 B18R1.1748 CCCCCC(=O)NCCN1CCCCC1CC 240690a_100000755458_100000212188 [0,0,0,1,0,0|3,0,0]=4 3150 B18R1.1748 CCCCCC(=O)NCCN1CCCCC1CC 527a_100000755458_100000212188 [0,0,0,1,0,0|3,0,0]=4 3151 B18R1.1748 CCCCNC(=O)CNCC1CCCCN1CC 2230a_100000754393_100000182744 [0,0,0,1,0,0|3,0,0]=4 3152 B18R1.1748 CCCCNC(=O)CNCC1CCCCN1CC 34a_100000754393_100000182744 [0,0,0,1,0,0|3,0,0]=4 3153 B18R1.1748 CCCCNC(=O)COCC1CCCCN1CC 34a_100000225091_100000182744 [0,0,0,1,0,0|3,0,0]=4 3154 B18R1.1748 CCCCNC(=O)COCC1CCCCN1CC 7a_100000225091_100000182744 [0,0,0,1,0,0|3,0,0]=4 3155 B18R1.1748 CCCCNC(=O)NCCN1CCCCC1CC 2708a_100000102301_100000755458 [0,0,0,1,0,0|3,0,0]=4 3156 B18R1.1748 CCCCNC(=O)NCCN1CCCCC1CC 2708a_100000755458_100000102301 [0,0,0,1,0,0|3,0,0]=4 3157 B18R1.1748 CCCCNC(=O)NCCN1CCCCC1CC 273464a_100000102301_100000755458 [0,0,0,1,0,0|3,0,0]=4 3158 B18R1.1748 CCCCNC(=O)NCCN1CCCCC1CC 273464a_100000755458_100000102301 [0,0,0,1,0,0|3,0,0]=4 3159 B18R1.1748 CCCCNC(=O)NCCN1CCCCC1CC 512a_100000102301_100000755458 [0,0,0,1,0,0|3,0,0]=4 3160 B18R1.1748 CCCCNC(=O)NCCN1CCCCC1CC 512a_100000755458_100000102301 [0,0,0,1,0,0|3,0,0]=4 3161 B18R1.1748 CCCCOC(=O)CNCC1CCCCN1CC 2230a_100000754393_100000211628 [0,0,0,1,0,0|2,0,0]=3 3162 B18R1.1748 CCCCOC(=O)CNCC1CCCCN1CC 34a_100000754393_100000211628 [0,0,0,1,0,0|2,0,0]=3 3163 B18R1.1748 CCCCOC(=O)COCC1CCCCN1CC 34a_100000225091_100000211628 [0,0,0,1,0,0|2,0,0]=3 3164 B18R1.1748 CCCCOC(=O)COCC1CCCCN1CC 7a_100000225091_100000211628 [0,0,0,1,0,0|2,0,0]=3 3165 B18R1.1748 CCN1CCCCC1CNCC(=O)OCCOC 2230a_100000754393_200000040189 [0,0,0,1,0,0|3,0,0]=4 3166 B18R1.1748 CCN1CCCCC1CNCC(=O)OCCOC 34a_100000754393_200000040189 [0,0,0,1,0,0|3,0,0]=4 3167 B18R1.1748 CCN1CCCCC1COCC(=O)OCCOC 34a_100000225091_200000040189 [0,0,0,1,0,0|3,0,0]=4 3168 B18R1.1748 CCN1CCCCC1COCC(=O)OCCOC 7a_100000225091_200000040189 [0,0,0,1,0,0|3,0,0]=4 3169 B18R1.1749 CCCCCC(=O)CNCCCOC1CCCC1 34a_100000747560_200012276598 [0,0,0,1,0,0|3,0,0]=4 3170 B18R1.1749 CCCCCC(=O)NCCCCCN1CCCC1 1626a_100011491779_100000212188 [0,0,0,1,0,0|3,0,0]=4 3171 B18R1.1749 CCCCCC(=O)NCCCCCN1CCCC1 240690a_100011491779_100000212188 [0,0,0,1,0,0|3,0,0]=4 3172 B18R1.1749 CCCCNC(=O)CNCCCOC1CCCC1 34a_100000747560_100000182744 [0,0,0,1,0,0|3,0,0]=4 3173 B18R1.1749 CCCCNC(=O)NCCCCCN1CCCC1 2708a_100000102301_100011491779 [0,0,0,1,0,0|3,0,0]=4 3174 B18R1.1749 CCCCNC(=O)NCCCCCN1CCCC1 2708a_100011491779_100000102301 [0,0,0,1,0,0|3,0,0]=4 3175 B18R1.1749 CCCCNC(=O)NCCCCCN1CCCC1 273464a_100000102301_100011491779 [0,0,0,1,0,0|3,0,0]=4 3176 B18R1.1749 CCCCNC(=O)NCCCCCN1CCCC1 273464a_100011491779_100000102301 [0,0,0,1,0,0|3,0,0]=4 3177 B18R1.1749 CCCCNC(=O)NCCCCCN1CCCC1 512a_100000102301_100011491779 [0,0,0,1,0,0|3,0,0]=4 3178 B18R1.1749 CCCCOC(=O)CNCCCOC1CCCC1 34a_100000747560_100000211628 [0,0,0,1,0,0|2,0,0]=3 3179 B18R1.1749 CCCCOC(=O)CSCCCCC1OCCO1 62a_100000211628_100000034956 [0,0,0,1,0,0|3,0,0]=4 3180 B18R1.1749 COCCOC(=O)CNCCCOC1CCCC1 34a_100000747560_200000040189 [0,0,0,1,0,0|3,0,0]=4 3181 B18R1.2620 CCCC1CCCCC1OCC(=O)NCCOC 34a_100011217265_100000183275 [0,0,0,1,0,0|3,0,0]=4 3182 B18R1.2620 CCCC1CCCCC1OCC(=O)NCCOC 7a_100011217265_100000183275 [0,0,0,1,0,0|3,0,0]=4 3183 B18R1.2620 CCCC1CCCCC1OCC(=O)OCCOC 34a_100011217265_200000040189 [0,0,0,1,0,0|2,0,0]=3 3184 B18R1.2620 CCCC1CCCCC1OCC(=O)OCCOC 7a_100011217265_200000040189 [0,0,0,1,0,0|2,0,0]=3 3185 B18R1.2620 CCCCCC(=O)COC1CCCCC1CCC 34a_100011217265_200012276598 [0,0,0,1,0,0|2,0,0]=3 3186 B18R1.2620 CCCCCC(=O)COC1CCCCC1CCC 7a_100011217265_200012276598 [0,0,0,1,0,0|2,0,0]=3 3187 B18R1.2620 CCCCNC(=O)COC1CCCCC1CCC 34a_100011217265_100000182744 [0,0,0,1,0,0|2,0,0]=3 3188 B18R1.2620 CCCCNC(=O)COC1CCCCC1CCC 7a_100011217265_100000182744 [0,0,0,1,0,0|2,0,0]=3 3189 B18R1.2620 CCCCOC(=O)COC1CCCCC1CCC 34a_100011217265_100000211628 [0,0,0,1,0,0|1,0,0]=2 3190 B18R1.2620 CCCCOC(=O)COC1CCCCC1CCC 7a_100011217265_100000211628 [0,0,0,1,0,0|1,0,0]=2 3191 B18R1.2678 CCCCCC(=O)CNCCC1CCCCCC1 2230a_100011532351_200012276598 [0,0,0,1,0,0|2,0,0]=3 3192 B18R1.2678 CCCCCC(=O)CNCCC1CCCCCC1 34a_100011532351_200012276598 [0,0,0,1,0,0|2,0,0]=3 3193 B18R1.2678 CCCCCC(=O)COCCN1CCCCCC1 34a_100000238007_200012276598 [0,0,0,1,0,0|3,0,0]=4 3194 B18R1.2678 CCCCCC(=O)CSCCN1CCCCCC1 62a_100000722644_200012276598 [0,0,0,1,0,0|3,0,0]=4 3195 B18R1.2678 CCCCCC(=O)CSCCN1CCCCCC1 62a_200012276598_100000722644 [0,0,0,1,0,0|3,0,0]=4 3196 B18R1.2678 CCCCCC(=O)NCCCN1CCCCCC1 11a_100000181460_100000212188 [0,0,0,1,0,0|3,0,0]=4 3197 B18R1.2678 CCCCCC(=O)NCCCN1CCCCCC1 240690a_100000181460_100000212188 [0,0,0,1,0,0|3,0,0]=4 3198 B18R1.2678 CCCCCC(=O)NCCCN1CCCCCC1 527a_100000181460_100000212188 [0,0,0,1,0,0|3,0,0]=4 3199 B18R1.2678 CCCCNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000182744 [0,0,0,1,0,0|2,0,0]=3 3200 B18R1.2678 CCCCNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000182744 [0,0,0,1,0,0|2,0,0]=3 3201 B18R1.2678 CCCCNC(=O)COCCN1CCCCCC1 34a_100000238007_100000182744 [0,0,0,1,0,0|3,0,0]=4 3202 B18R1.2678 CCCCNC(=O)CSCCN1CCCCCC1 62a_100000182744_100000722644 [0,0,0,1,0,0|3,0,0]=4 3203 B18R1.2678 CCCCNC(=O)CSCCN1CCCCCC1 62a_100000722644_100000182744 [0,0,0,1,0,0|3,0,0]=4 3204 B18R1.2678 CCCCNC(=O)NCCCN1CCCCCC1 2708a_100000102301_100000181460 [0,0,0,1,0,0|3,0,0]=4 3205 B18R1.2678 CCCCNC(=O)NCCCN1CCCCCC1 273464a_100000102301_100000181460 [0,0,0,1,0,0|3,0,0]=4 3206 B18R1.2678 CCCCNC(=O)NCCCN1CCCCCC1 273464a_100000181460_100000102301 [0,0,0,1,0,0|3,0,0]=4 3207 B18R1.2678 CCCCNC(=O)NCCCN1CCCCCC1 512a_100000102301_100000181460 [0,0,0,1,0,0|3,0,0]=4 3208 B18R1.2678 CCCCNC(=O)NCCCN1CCCCCC1 512a_100000181460_100000102301 [0,0,0,1,0,0|3,0,0]=4 3209 B18R1.2678 CCCCOC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000211628 [0,0,0,1,0,0|1,0,0]=2 3210 B18R1.2678 CCCCOC(=O)CNCCC1CCCCCC1 34a_100011532351_100000211628 [0,0,0,1,0,0|1,0,0]=2 3211 B18R1.2678 CCCCOC(=O)COCCN1CCCCCC1 34a_100000238007_100000211628 [0,0,0,1,0,0|2,0,0]=3 3212 B18R1.2678 CCCCOC(=O)CSCCN1CCCCCC1 62a_100000211628_100000722644 [0,0,0,1,0,0|2,0,0]=3 3213 B18R1.2678 CCCCOC(=O)CSCCN1CCCCCC1 62a_100000722644_100000211628 [0,0,0,1,0,0|2,0,0]=3 3214 B18R1.2678 COCCNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183275 [0,0,0,1,0,0|3,0,0]=4 3215 B18R1.2678 COCCNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183275 [0,0,0,1,0,0|3,0,0]=4 3216 B18R1.2678 COCCOC(=O)CNCCC1CCCCCC1 2230a_100011532351_200000040189 [0,0,0,1,0,0|2,0,0]=3 3217 B18R1.2678 COCCOC(=O)CNCCC1CCCCCC1 34a_100011532351_200000040189 [0,0,0,1,0,0|2,0,0]=3 3218 B18R1.2678 COCCOC(=O)COCCN1CCCCCC1 34a_100000238007_200000040189 [0,0,0,1,0,0|3,0,0]=4 3219 B18R1.2678 COCCOC(=O)CSCCN1CCCCCC1 62a_100000722644_200000040189 [0,0,0,1,0,0|3,0,0]=4 3220 B18R1.2678 COCCOC(=O)CSCCN1CCCCCC1 62a_200000040189_100000722644 [0,0,0,1,0,0|3,0,0]=4 3221 B18R1.3010 CCCC#CC(=O)NCCC1CCCCCCC1 240690a_100011532352_200011218047 [0,0,0,1,0,0|2,0,1]=4 3222 B18R1.3010 CCCC=CC(=O)NCCC1CCCCCCC1 11a_100011532352_100000212230 [0,0,0,1,0,0|2,0,1]=4 3223 B18R1.3010 CCCC=CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000212230 [0,0,0,1,0,0|2,0,1]=4 3224 B18R1.3010 CCCC=CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000212230 [0,0,0,1,0,0|2,0,1]=4 3225 B18R1.3010 CCCCCC(=O)COCC1CCCCCCC1 34a_100011216312_200012276598 [0,0,0,1,0,0|2,0,0]=3 3226 B18R1.3010 CCCCCC(=O)COCC1CCCCCCC1 7a_100011216312_200012276598 [0,0,0,1,0,0|2,0,0]=3 3227 B18R1.3010 CCCCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000212188 [0,0,0,1,0,0|2,0,0]=3 3228 B18R1.3010 CCCCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000212188 [0,0,0,1,0,0|2,0,0]=3 3229 B18R1.3010 CCCCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000212188 [0,0,0,1,0,0|2,0,0]=3 3230 B18R1.3010 CCCCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000212188 [0,0,0,1,0,0|2,0,0]=3 3231 B18R1.3010 CCCCNC(=O)COCC1CCCCCCC1 34a_100011216312_100000182744 [0,0,0,1,0,0|2,0,0]=3 3232 B18R1.3010 CCCCNC(=O)COCC1CCCCCCC1 7a_100011216312_100000182744 [0,0,0,1,0,0|2,0,0]=3 3233 B18R1.3010 CCCCNC(=O)NCCC1CCCCCCC1 2708a_100000102301_100011532352 [0,0,0,1,0,0|2,0,0]=3 3234 B18R1.3010 CCCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000102301 [0,0,0,1,0,0|2,0,0]=3 3235 B18R1.3010 CCCCNC(=O)NCCC1CCCCCCC1 273464a_100000102301_100011532352 [0,0,0,1,0,0|2,0,0]=3 3236 B18R1.3010 CCCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000102301 [0,0,0,1,0,0|2,0,0]=3 3237 B18R1.3010 CCCCNC(=O)NCCC1CCCCCCC1 512a_100000102301_100011532352 [0,0,0,1,0,0|2,0,0]=3 3238 B18R1.3010 CCCCOC(=O)CNCC1CC/C=C\CCC1 2230a_100102730862_100000211628 [0,0,0,1,0,0|1,0,2]=4 3239 B18R1.3010 CCCCOC(=O)CNCC1CC/C=C\CCC1 34a_100102730862_100000211628 [0,0,0,1,0,0|1,0,2]=4 3240 B18R1.3010 CCCCOC(=O)COCC1CCCCCCC1 34a_100011216312_100000211628 [0,0,0,1,0,0|1,0,0]=2 3241 B18R1.3010 CCCCOC(=O)COCC1CCCCCCC1 7a_100011216312_100000211628 [0,0,0,1,0,0|1,0,0]=2 3242 B18R1.3010 CCCNNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000740057 [0,0,0,1,0,0|3,0,0]=4 3243 B18R1.3010 CCCNNC(=O)NCCC1CCCCCCC1 512a_100000740057_100011532352 [0,0,0,1,0,0|3,0,0]=4 3244 B18R1.3010 CCCOCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000745993 [0,0,0,1,0,0|3,0,0]=4 3245 B18R1.3010 CCCOCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000745993 [0,0,0,1,0,0|3,0,0]=4 3246 B18R1.3010 CCCOCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000745993 [0,0,0,1,0,0|3,0,0]=4 3247 B18R1.3010 CCCOCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000745993 [0,0,0,1,0,0|3,0,0]=4 3248 B18R1.3010 CCCSCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000217233 [0,0,0,1,0,0|3,0,0]=4 3249 B18R1.3010 CCCSCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000217233 [0,0,0,1,0,0|3,0,0]=4 3250 B18R1.3010 CCCSCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000217233 [0,0,0,1,0,0|3,0,0]=4 3251 B18R1.3010 CCCSCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000217233 [0,0,0,1,0,0|3,0,0]=4 3252 B18R1.3010 CCOCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000749530 [0,0,0,1,0,0|3,0,0]=4 3253 B18R1.3010 CCOCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000749530 [0,0,0,1,0,0|3,0,0]=4 3254 B18R1.3010 CCOCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000749530 [0,0,0,1,0,0|3,0,0]=4 3255 B18R1.3010 CCOCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000749530 [0,0,0,1,0,0|3,0,0]=4 3256 B18R1.3010 CCSCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000230768 [0,0,0,1,0,0|3,0,0]=4 3257 B18R1.3010 CCSCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000230768 [0,0,0,1,0,0|3,0,0]=4 3258 B18R1.3010 CCSCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000230768 [0,0,0,1,0,0|3,0,0]=4 3259 B18R1.3010 CCSCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000230768 [0,0,0,1,0,0|3,0,0]=4 3260 B18R1.3010 COCCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000741012 [0,0,0,1,0,0|3,0,0]=4 3261 B18R1.3010 COCCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000741012 [0,0,0,1,0,0|3,0,0]=4 3262 B18R1.3010 COCCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000741012 [0,0,0,1,0,0|3,0,0]=4 3263 B18R1.3010 COCCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000741012 [0,0,0,1,0,0|3,0,0]=4 3264 B18R1.3010 COCCNC(=O)COCC1CCCCCCC1 34a_100011216312_100000183275 [0,0,0,1,0,0|3,0,0]=4 3265 B18R1.3010 COCCNC(=O)COCC1CCCCCCC1 7a_100011216312_100000183275 [0,0,0,1,0,0|3,0,0]=4 3266 B18R1.3010 COCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000209980 [0,0,0,1,0,0|3,0,0]=4 3267 B18R1.3010 COCCNC(=O)NCCC1CCCCCCC1 273464a_100000209980_100011532352 [0,0,0,1,0,0|3,0,0]=4 3268 B18R1.3010 COCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000209980 [0,0,0,1,0,0|3,0,0]=4 3269 B18R1.3010 COCCOC(=O)COCC1CCCCCCC1 34a_100011216312_200000040189 [0,0,0,1,0,0|2,0,0]=3 3270 B18R1.3010 COCCOC(=O)COCC1CCCCCCC1 7a_100011216312_200000040189 [0,0,0,1,0,0|2,0,0]=3 3271 B18R1.3010 CSCCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000173376 [0,0,0,1,0,0|3,0,0]=4 3272 B18R1.3010 CSCCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000173376 [0,0,0,1,0,0|3,0,0]=4 3273 B18R1.3010 CSCCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000173376 [0,0,0,1,0,0|3,0,0]=4 3274 B18R1.3010 CSCCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000173376 [0,0,0,1,0,0|3,0,0]=4 3275 B18R1.3010 CSCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100020590264 [0,0,0,1,0,0|3,0,0]=4 3276 B18R1.3010 CSCCNC(=O)NCCC1CCCCCCC1 2708a_100020590264_100011532352 [0,0,0,1,0,0|3,0,0]=4 3277 B18R1.3010 CSCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100020590264 [0,0,0,1,0,0|3,0,0]=4 3278 B18R1.3010 CSCCNC(=O)NCCC1CCCCCCC1 273464a_100020590264_100011532352 [0,0,0,1,0,0|3,0,0]=4 3279 B18R1.3010 CSCCNC(=O)NCCC1CCCCCCC1 512a_100020590264_100011532352 [0,0,0,1,0,0|3,0,0]=4 3280 B18R1.3010 O=C(CCCCO)NCCC1CCCCCCC1 1626a_100011532352_100000695505 [0,0,0,1,0,0|3,0,0]=4 3281 B18R1.3010 O=C(NCCCF)NCCC1CCCCCCC1 2708a_100011532352_100015189416 [0,0,0,1,0,0|3,0,0]=4 3282 B18R1.3010 O=C(NCCCF)NCCC1CCCCCCC1 2708a_100015189416_100011532352 [0,0,0,1,0,0|3,0,0]=4 3283 B18R1.3010 O=C(NCCCF)NCCC1CCCCCCC1 273464a_100011532352_100015189416 [0,0,0,1,0,0|3,0,0]=4 3284 B18R1.3010 O=C(NCCCF)NCCC1CCCCCCC1 273464a_100015189416_100011532352 [0,0,0,1,0,0|3,0,0]=4 3285 B18R1.3010 O=C(NCCCF)NCCC1CCCCCCC1 512a_100015189416_100011532352 [0,0,0,1,0,0|3,0,0]=4 3286 B18R1.3010 O=C(NCCCO)NCCC1CCCCCCC1 2708a_100011532352_100000182051 [0,0,0,1,0,0|3,0,0]=4 3287 B18R1.3010 O=C(NCCCO)NCCC1CCCCCCC1 273464a_100000182051_100011532352 [0,0,0,1,0,0|3,0,0]=4 3288 B18R1.3010 O=C(NCCCO)NCCC1CCCCCCC1 273464a_100011532352_100000182051 [0,0,0,1,0,0|3,0,0]=4 3289 B18R1.3011 CCCCCC(=O)COCC1CCCN1CCC 34a_200000694710_200012276598 [0,0,0,1,0,0|3,0,0]=4 3290 B18R1.3011 CCCCCC(=O)COCC1CCCN1CCC 7a_200000694710_200012276598 [0,0,0,1,0,0|3,0,0]=4 3291 B18R1.3011 CCCCNC(=O)COCC1CCCN1CCC 34a_200000694710_100000182744 [0,0,0,1,0,0|3,0,0]=4 3292 B18R1.3011 CCCCNC(=O)COCC1CCCN1CCC 7a_200000694710_100000182744 [0,0,0,1,0,0|3,0,0]=4 3293 B18R1.3011 CCCCOC(=O)COCC1CCCN1CCC 34a_200000694710_100000211628 [0,0,0,1,0,0|2,0,0]=3 3294 B18R1.3011 CCCCOC(=O)COCC1CCCN1CCC 7a_200000694710_100000211628 [0,0,0,1,0,0|2,0,0]=3 3295 B18R1.3011 CCCN1CCCC1COCC(=O)OCCOC 34a_200000694710_200000040189 [0,0,0,1,0,0|3,0,0]=4 3296 B18R1.3011 CCCN1CCCC1COCC(=O)OCCOC 7a_200000694710_200000040189 [0,0,0,1,0,0|3,0,0]=4 3297 B18R1.3034 CCCCOC(=O)COCCCCOCC1CO1 34a_100010889290_100000211628 [0,0,0,1,0,0|3,0,0]=4 3298 B18R1.3034 CCCCOC(=O)COCCCCOCC1CO1 7a_100010889290_100000211628 [0,0,0,1,0,0|3,0,0]=4 3299 B18R1.10161 CCCCCC(=O)CN1CCCCC1CCCO 2230a_100011934581_200012276598 [0,0,0,1,0,0|3,0,0]=4 3300 B18R1.10161 CCCCCC(=O)CN1CCCCC1CCCO 269982a_100011934581_200012276598 [0,0,0,1,0,0|3,0,0]=4 3301 B18R1.10161 CCCCCC(=O)CN1CCCCC1CCCO 34a_100011934581_200012276598 [0,0,0,1,0,0|3,0,0]=4 3302 B18R1.10161 CCCCCC(=O)CN1CCCCC1CCOC 2230a_100015186528_200012276598 [0,0,0,1,0,0|3,0,0]=4 3303 B18R1.10161 CCCCCC(=O)CN1CCCCC1CCOC 269982a_100015186528_200012276598 [0,0,0,1,0,0|3,0,0]=4 3304 B18R1.10161 CCCCCC(=O)CN1CCCCC1CCOC 34a_100015186528_200012276598 [0,0,0,1,0,0|3,0,0]=4 3305 B18R1.10161 CCCCNC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000182744 [0,0,0,1,0,0|3,0,0]=4 3306 B18R1.10161 CCCCNC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000182744 [0,0,0,1,0,0|3,0,0]=4 3307 B18R1.10161 CCCCNC(=O)CN1CCCCC1CCCO 34a_100011934581_100000182744 [0,0,0,1,0,0|3,0,0]=4 3308 B18R1.10161 CCCCNC(=O)CN1CCCCC1CCOC 2230a_100015186528_100000182744 [0,0,0,1,0,0|3,0,0]=4 3309 B18R1.10161 CCCCNC(=O)CN1CCCCC1CCOC 269982a_100015186528_100000182744 [0,0,0,1,0,0|3,0,0]=4 3310 B18R1.10161 CCCCNC(=O)CN1CCCCC1CCOC 34a_100015186528_100000182744 [0,0,0,1,0,0|3,0,0]=4 3311 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000211628 [0,0,0,1,0,0|2,0,0]=3 3312 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000211628 [0,0,0,1,0,0|2,0,0]=3 3313 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCCO 34a_100011934581_100000211628 [0,0,0,1,0,0|2,0,0]=3 3314 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCOC 2230a_100015186528_100000211628 [0,0,0,1,0,0|2,0,0]=3 3315 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCOC 269982a_100015186528_100000211628 [0,0,0,1,0,0|2,0,0]=3 3316 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCOC 34a_100015186528_100000211628 [0,0,0,1,0,0|2,0,0]=3 3317 B18R1.10161 COCCOC(=O)CN1CCCCC1CCCO 2230a_100011934581_200000040189 [0,0,0,1,0,0|3,0,0]=4 3318 B18R1.10161 COCCOC(=O)CN1CCCCC1CCCO 269982a_100011934581_200000040189 [0,0,0,1,0,0|3,0,0]=4 3319 B18R1.10161 COCCOC(=O)CN1CCCCC1CCCO 34a_100011934581_200000040189 [0,0,0,1,0,0|3,0,0]=4 3320 B18R1.10161 COCCOC(=O)CN1CCCCC1CCOC 2230a_100015186528_200000040189 [0,0,0,1,0,0|3,0,0]=4 3321 B18R1.10161 COCCOC(=O)CN1CCCCC1CCOC 269982a_100015186528_200000040189 [0,0,0,1,0,0|3,0,0]=4 3322 B18R1.10161 COCCOC(=O)CN1CCCCC1CCOC 34a_100015186528_200000040189 [0,0,0,1,0,0|3,0,0]=4 3323 B18R1.13144 CCCCCCCCCCCN1CCCCCC1 2230a_100000185865_100011215454 [0,0,0,1,0,0|3,0,0]=4 3324 B18R1.13144 CCCCCCCCCCCN1CCCCCC1 269982a_100000185865_100011215454 [0,0,0,1,0,0|3,0,0]=4 3325 B18R1.13144 CCCCCCCCCCCN1CCCCCC1 34a_100000185865_100011215454 [0,0,0,1,0,0|3,0,0]=4 3326 B18R1.13155 CCCCCCCCCCCc1nc(no1)CC 270196a_200000212204_100000210736 [0,0,0,1,0,0|2,0,1]=4 3327 B18R1.13680 CCCCCCC1CCCC1N(C)CCCCC 270004a_100000223495_100000189428 [0,0,0,1,0,0|3,0,0]=4 3328 B18R1.41200 CCCCCC(=O)N1CCCCC1CCCOC 11a_100011804088_100000212188 [0,0,0,1,0,0|3,0,0]=4 3329 B18R1.41200 CCCCCC(=O)N1CCCCC1CCCOC 1626a_100011804088_100000212188 [0,0,0,1,0,0|3,0,0]=4 3330 B18R1.41200 CCCCCC(=O)N1CCCCC1CCCOC 240690a_100011804088_100000212188 [0,0,0,1,0,0|3,0,0]=4 3331 B18R1.41200 CCCCCC(=O)N1CCCCC1CCCOC 527a_100011804088_100000212188 [0,0,0,1,0,0|3,0,0]=4 3332 B18R1.41200 CCCCNC(=O)N1CCCCC1CCCOC 2708a_100000102301_100011804088 [0,0,0,1,0,0|3,0,0]=4 3333 B18R1.41200 CCCCNC(=O)N1CCCCC1CCCOC 273464a_100000102301_100011804088 [0,0,0,1,0,0|3,0,0]=4 3334 B18R1.41511 C=CCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100009814027 [0,0,0,1,0,0|1,0,2]=4 3335 B18R1.41511 CCC1CC1C(=O)CCCCCCCCCCO 1458a_200011661523_100009813290 [0,0,0,1,0,0|2,0,0]=3 3336 B18R1.41511 CCC1CC1C(=O)NCCCCCCCCCO 240690a_100000078944_200011661523 [0,0,0,1,0,0|3,0,0]=4 3337 B18R1.41511 CCCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100011215454 [0,0,0,1,0,0|1,0,0]=2 3338 B18R1.41511 CCCCCCCCCCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100011215454 [0,0,0,1,0,0|2,0,1]=4 3339 B18R1.41511 CCCCCCCCCCNC(=O)C1CC1CC 11a_100000684558_200011661523 [0,0,0,1,0,0|2,0,0]=3 3340 B18R1.41511 CCCCCCCCCCNC(=O)C1CC1CC 1626a_100000684558_200011661523 [0,0,0,1,0,0|2,0,0]=3 3341 B18R1.41511 CCCCCCCCCCNC(=O)C1CC1CC 240690a_100000684558_200011661523 [0,0,0,1,0,0|2,0,0]=3 3342 B18R1.41511 CCCCCCCCCCNC(=O)C1CC1CC 527a_100000684558_200011661523 [0,0,0,1,0,0|2,0,0]=3 3343 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210736 [0,0,0,1,0,0|2,0,0]=3 3344 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210736 [0,0,0,1,0,0|2,0,0]=3 3345 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210736 [0,0,0,1,0,0|2,0,0]=3 3346 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210736 [0,0,0,1,0,0|2,0,0]=3 3347 B18R1.41512 CCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100000684558_100015190264 [0,0,0,1,0,0|3,0,0]=4 3348 B18R1.41512 CCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100000684558_100015190264 [0,0,0,1,0,0|3,0,0]=4 3349 B18R1.41512 CCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100000684558 [0,0,0,1,0,0|3,0,0]=4 3350 B18R1.41512 CCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 512a_100000684558_100015190264 [0,0,0,1,0,0|3,0,0]=4 3351 B18R1.41512 CCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 2708a_100000684558_100025746932 [0,0,0,1,0,0|3,0,0]=4 3352 B18R1.41512 CCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 273464a_100000684558_100025746932 [0,0,0,1,0,0|3,0,0]=4 3353 B18R1.41512 CCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100000684558_100025746932 [0,0,0,1,0,0|3,0,0]=4 3354 B18R1.41512 CCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100000684558 [0,0,0,1,0,0|3,0,0]=4 3355 B18R1.41512 O=C(CCCCCCCCCCO)N[C@@H]1C[C@@H]1F 240690a_100015190264_200000016029 [0,0,0,1,0,0|3,0,0]=4 3356 B18R1.41512 O=C(CCCCCCCCCCO)N[C@@H]1C[C@H]1F 240690a_100025746932_200000016029 [0,0,0,1,0,0|3,0,0]=4 3357 B18R1.41513 C=CCCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100009814027 [0,0,0,1,0,0|1,0,2]=4 3358 B18R1.41513 CCCCCCCCCC=CC(=O)CC1CCC1 1458a_200015352897_100000763275 [0,0,0,1,0,0|1,0,2]=4 3359 B18R1.41513 CCCCCCCCCC=CC(=O)NC1CCC1 11a_100000749019_200015352897 [0,0,0,1,0,0|1,0,2]=4 3360 B18R1.41513 CCCCCCCCCC=CC(=O)NC1CCC1 1626a_100000749019_200015352897 [0,0,0,1,0,0|1,0,2]=4 3361 B18R1.41513 CCCCCCCCCC=CC(=O)NC1CCC1 240690a_100000749019_200015352897 [0,0,0,1,0,0|1,0,2]=4 3362 B18R1.41513 CCCCCCCCCCCC(=O)C=C1CCC1 1458a_100000686340_100011215454 [0,0,0,1,0,0|1,0,1]=3 3363 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCC1 1458a_100000210736_100000763275 [0,0,0,1,0,0|1,0,0]=2 3364 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100011215454 [0,0,0,1,0,0|1,0,0]=2 3365 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCO1 1458a_100000210736_100000103362 [0,0,0,1,0,0|2,0,0]=3 3366 B18R1.41513 CCCCCCCCCCCC(=O)CC1COC1 1458a_100000210736_100010264016 [0,0,0,1,0,0|2,0,0]=3 3367 B18R1.41513 CCCCCCCCCCCC(=O)CC1COC1 1458a_100000687760_100011215454 [0,0,0,1,0,0|2,0,0]=3 3368 B18R1.41513 CCCCCCCCCCCC(=O)NC1CCC1 11a_100000749019_100000210736 [0,0,0,1,0,0|1,0,0]=2 3369 B18R1.41513 CCCCCCCCCCCC(=O)NC1CCC1 1626a_100000749019_100000210736 [0,0,0,1,0,0|1,0,0]=2 3370 B18R1.41513 CCCCCCCCCCCC(=O)NC1CCC1 240690a_100000749019_100000210736 [0,0,0,1,0,0|1,0,0]=2 3371 B18R1.41513 CCCCCCCCCCCC(=O)NC1COC1 11a_100016991112_100000210736 [0,0,0,1,0,0|2,0,0]=3 3372 B18R1.41513 CCCCCCCCCCCC(=O)NC1COC1 1626a_100016991112_100000210736 [0,0,0,1,0,0|2,0,0]=3 3373 B18R1.41513 CCCCCCCCCCCC(=O)NC1COC1 240690a_100016991112_100000210736 [0,0,0,1,0,0|2,0,0]=3 3374 B18R1.41513 CCCCCCCCCCCC(=O)NC1CSC1 11a_100016994217_100000210736 [0,0,0,1,0,0|2,0,0]=3 3375 B18R1.41513 CCCCCCCCCCCC(=O)NC1CSC1 1626a_100016994217_100000210736 [0,0,0,1,0,0|2,0,0]=3 3376 B18R1.41513 CCCCCCCCCCCC(=O)NC1CSC1 240690a_100016994217_100000210736 [0,0,0,1,0,0|2,0,0]=3 3377 B18R1.41513 CCCCCCCCCCCC(C)OC1CCC1 34a_100011217895_100000749161 [0,0,0,1,0,0|1,0,1]=3 3378 B18R1.41513 CCCCCCCCCCCC(C)OC1COC1 34a_100011217895_100009818527 [0,0,0,1,0,0|2,0,1]=4 3379 B18R1.41513 CCCCCCCCCCCC(C)OC1COC1 7a_100011217895_100009818527 [0,0,0,1,0,0|2,0,1]=4 3380 B18R1.41513 CCCCCCCCCCCN(C)CC1CCC1 2230a_200000750244_100011215454 [0,0,0,1,0,0|3,0,0]=4 3381 B18R1.41513 CCCCCCCCCCCN(C)CC1CCC1 269982a_200000750244_100011215454 [0,0,0,1,0,0|3,0,0]=4 3382 B18R1.41513 CCCCCCCCCCCN(C)CC1CCC1 34a_200000750244_100011215454 [0,0,0,1,0,0|3,0,0]=4 3383 B18R1.41513 CCCCCCCCCCNC(=O)C=C1CCC1 11a_100000684558_100000686340 [0,0,0,1,0,0|2,0,1]=4 3384 B18R1.41513 CCCCCCCCCCNC(=O)C=C1CCC1 240690a_100000684558_100000686340 [0,0,0,1,0,0|2,0,1]=4 3385 B18R1.41513 CCCCCCCCCCNC(=O)CC1CCC1 11a_100000684558_100000763092 [0,0,0,1,0,0|2,0,0]=3 3386 B18R1.41513 CCCCCCCCCCNC(=O)CC1CCC1 1626a_100000684558_100000763092 [0,0,0,1,0,0|2,0,0]=3 3387 B18R1.41513 CCCCCCCCCCNC(=O)CC1CCC1 240690a_100000684558_100000763092 [0,0,0,1,0,0|2,0,0]=3 3388 B18R1.41513 CCCCCCCCCCNC(=O)CC1CCC1 527a_100000684558_100000763092 [0,0,0,1,0,0|2,0,0]=3 3389 B18R1.41513 CCCCCCCCCCNC(=O)CC1COC1 11a_100000684558_100000687760 [0,0,0,1,0,0|3,0,0]=4 3390 B18R1.41513 CCCCCCCCCCNC(=O)CC1COC1 1626a_100000684558_100000687760 [0,0,0,1,0,0|3,0,0]=4 3391 B18R1.41513 CCCCCCCCCCNC(=O)NC1CCC1 2708a_100000684558_100000749019 [0,0,0,1,0,0|2,0,0]=3 3392 B18R1.41513 CCCCCCCCCCNC(=O)NC1CCC1 273464a_100000684558_100000749019 [0,0,0,1,0,0|2,0,0]=3 3393 B18R1.41513 CCCCCCCCCCNC(=O)NC1CCC1 273464a_100000749019_100000684558 [0,0,0,1,0,0|2,0,0]=3 3394 B18R1.41513 CCCCCCCCCCNC(=O)NC1CCC1 512a_100000684558_100000749019 [0,0,0,1,0,0|2,0,0]=3 3395 B18R1.41513 CCCCCCCCCCNC(=O)NC1CCC1 512a_100000749019_100000684558 [0,0,0,1,0,0|2,0,0]=3 3396 B18R1.41513 CCCCCCCCCCNC(=O)NC1COC1 2708a_100000684558_100016991112 [0,0,0,1,0,0|3,0,0]=4 3397 B18R1.41513 CCCCCCCCCCNC(=O)NC1COC1 2708a_100016991112_100000684558 [0,0,0,1,0,0|3,0,0]=4 3398 B18R1.41513 CCCCCCCCCCNC(=O)NC1COC1 273464a_100000684558_100016991112 [0,0,0,1,0,0|3,0,0]=4 3399 B18R1.41513 CCCCCCCCCCNC(=O)NC1COC1 273464a_100016991112_100000684558 [0,0,0,1,0,0|3,0,0]=4 3400 B18R1.41513 CCCCCCCCCCNC(=O)NC1COC1 512a_100000684558_100016991112 [0,0,0,1,0,0|3,0,0]=4 3401 B18R1.41513 CCCCCCCCCCNC(=O)NC1COC1 512a_100016991112_100000684558 [0,0,0,1,0,0|3,0,0]=4 3402 B18R1.41513 CCCCCCCCCCNC(=O)NC1CSC1 2708a_100000684558_100016994217 [0,0,0,1,0,0|3,0,0]=4 3403 B18R1.41513 CCCCCCCCCCNC(=O)NC1CSC1 2708a_100016994217_100000684558 [0,0,0,1,0,0|3,0,0]=4 3404 B18R1.41513 CCCCCCCCCCNC(=O)NC1CSC1 273464a_100000684558_100016994217 [0,0,0,1,0,0|3,0,0]=4 3405 B18R1.41513 CCCCCCCCCCNC(=O)NC1CSC1 273464a_100016994217_100000684558 [0,0,0,1,0,0|3,0,0]=4 3406 B18R1.41513 CCCCCCCCCCNC(=O)NC1CSC1 512a_100000684558_100016994217 [0,0,0,1,0,0|3,0,0]=4 3407 B18R1.41513 CCCCCCCCCCNC(=O)NC1CSC1 512a_100016994217_100000684558 [0,0,0,1,0,0|3,0,0]=4 3408 B18R1.41513 CCCCCCCCCCOC(=O)CN1CCC1 269982a_100000754969_100000210668 [0,0,0,1,0,0|3,0,0]=4 3409 B18R1.41513 O=C(C=C1CCC1)CCCCCCCCCCO 1458a_100000686340_100009813290 [0,0,0,1,0,0|2,0,1]=4 3410 B18R1.41513 O=C(CC1CCC1)NCCCCCCCCCO 240690a_100000078944_100000763092 [0,0,0,1,0,0|3,0,0]=4 3411 B18R1.41513 O=C(CCCCCCCCCCO)CC1CCC1 1458a_100000763092_100009813290 [0,0,0,1,0,0|2,0,0]=3 3412 B18R1.41513 O=C(CCCCCCCCCCO)CC1COC1 1458a_100000687760_100009813290 [0,0,0,1,0,0|3,0,0]=4 3413 B18R1.41513 O=C(CCCCCCCCCCO)NC1CCC1 240690a_100000749019_200000016029 [0,0,0,1,0,0|2,0,0]=3 3414 B18R1.41513 O=C(CCCCCCCCCCO)NC1COC1 240690a_100016991112_200000016029 [0,0,0,1,0,0|3,0,0]=4 3415 B18R1.41513 O=C(CCCCCCCCCCO)NC1CSC1 240690a_100016994217_200000016029 [0,0,0,1,0,0|3,0,0]=4 3416 B18R1.41513 O=C(NCCCCCCCCCO)NC1CCC1 2708a_100000078944_100000749019 [0,0,0,1,0,0|3,0,0]=4 3417 B18R1.41513 O=C(NCCCCCCCCCO)NC1CCC1 273464a_100000078944_100000749019 [0,0,0,1,0,0|3,0,0]=4 3418 B18R1.41513 O=C(NCCCCCCCCCO)NC1CCC1 273464a_100000749019_100000078944 [0,0,0,1,0,0|3,0,0]=4 3419 B18R1.41513 O=C(NCCCCCCCCCO)NC1CCC1 512a_100000078944_100000749019 [0,0,0,1,0,0|3,0,0]=4 3420 B18R1.41513 O=C(NCCCCCCCCCO)NC1CCC1 512a_100000749019_100000078944 [0,0,0,1,0,0|3,0,0]=4 3421 B18R1.41514 C=CCCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100009814027 [0,0,0,1,0,0|1,0,2]=4 3422 B18R1.41514 CCCCCCCCCC=CC(=O)CCC1CC1 1458a_200015352897_100000694398 [0,0,0,1,0,0|1,0,2]=4 3423 B18R1.41514 CCCCCCCCCC=CC(=O)NCC1CC1 11a_100000735609_200015352897 [0,0,0,1,0,0|1,0,2]=4 3424 B18R1.41514 CCCCCCCCCC=CC(=O)NCC1CC1 1626a_100000735609_200015352897 [0,0,0,1,0,0|1,0,2]=4 3425 B18R1.41514 CCCCCCCCCC=CC(=O)NCC1CC1 240690a_100000735609_200015352897 [0,0,0,1,0,0|1,0,2]=4 3426 B18R1.41514 CCCCCCCCCCCC(=NNC1CC1)C 4a_100000701032_100011216755 [0,0,0,1,0,0|3,0,0]=4 3427 B18R1.41514 CCCCCCCCCCCC(=O)C=CC1CC1 1458a_100102529529_100011215454 [0,0,0,1,0,0|1,0,1]=3 3428 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CC1 1458a_100000210736_100000694398 [0,0,0,1,0,0|1,0,0]=2 3429 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100011215454 [0,0,0,1,0,0|1,0,0]=2 3430 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CO1 1458a_100000210736_100000732470 [0,0,0,1,0,0|2,0,0]=3 3431 B18R1.41514 CCCCCCCCCCCC(=O)NCC1CC1 11a_100000735609_100000210736 [0,0,0,1,0,0|1,0,0]=2 3432 B18R1.41514 CCCCCCCCCCCC(=O)NCC1CC1 1626a_100000735609_100000210736 [0,0,0,1,0,0|1,0,0]=2 3433 B18R1.41514 CCCCCCCCCCCC(=O)NCC1CC1 240690a_100000735609_100000210736 [0,0,0,1,0,0|1,0,0]=2 3434 B18R1.41514 CCCCCCCCCCCC(=O)NNC1CC1 22a_100000701032_100000210736 [0,0,0,1,0,0|2,0,0]=3 3435 B18R1.41514 CCCCCCCCCCCC(C)NCC1CC1 270004a_100000735609_100011216755 [0,0,0,1,0,0|2,0,1]=4 3436 B18R1.41514 CCCCCCCCCCCC(C)OCC1CC1 34a_100011217895_100000742324 [0,0,0,1,0,0|1,0,1]=3 3437 B18R1.41514 CCCCCCCCCCCC(C)OCC1CC1 7a_100011217895_100000742324 [0,0,0,1,0,0|1,0,1]=3 3438 B18R1.41514 CCCCCCCCCCCC(C)OCC1CO1 34a_100011217895_102125554688 [0,0,0,1,0,0|2,0,1]=4 3439 B18R1.41514 CCCCCCCCCCCC(C)OCC1CO1 7a_100011217895_102125554688 [0,0,0,1,0,0|2,0,1]=4 3440 B18R1.41514 CCCCCCCCCCCC(C)OCC1CS1 7a_100011217895_100000031435 [0,0,0,1,0,0|2,0,1]=4 3441 B18R1.41514 CCCCCCCCCCCC(C)OC[C@@H]1CO1 7a_100011217895_100000745022 [0,0,0,1,0,0|2,0,1]=4 3442 B18R1.41514 CCCCCCCCCCNC(=O)C=CC1CC1 11a_100000684558_100102529529 [0,0,0,1,0,0|2,0,1]=4 3443 B18R1.41514 CCCCCCCCCCNC(=O)C=CC1CC1 1626a_100000684558_100102529529 [0,0,0,1,0,0|2,0,1]=4 3444 B18R1.41514 CCCCCCCCCCNC(=O)C=CC1CC1 240690a_100000684558_100102529529 [0,0,0,1,0,0|2,0,1]=4 3445 B18R1.41514 CCCCCCCCCCNC(=O)CCC1CC1 11a_100000684558_100000756386 [0,0,0,1,0,0|2,0,0]=3 3446 B18R1.41514 CCCCCCCCCCNC(=O)CCC1CC1 1626a_100000684558_100000756386 [0,0,0,1,0,0|2,0,0]=3 3447 B18R1.41514 CCCCCCCCCCNC(=O)CCC1CC1 240690a_100000684558_100000756386 [0,0,0,1,0,0|2,0,0]=3 3448 B18R1.41514 CCCCCCCCCCNC(=O)CCC1CC1 527a_100000684558_100000756386 [0,0,0,1,0,0|2,0,0]=3 3449 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 2708a_100000684558_100000735609 [0,0,0,1,0,0|2,0,0]=3 3450 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 2708a_100000735609_100000684558 [0,0,0,1,0,0|2,0,0]=3 3451 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 273464a_100000684558_100000735609 [0,0,0,1,0,0|2,0,0]=3 3452 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 273464a_100000735609_100000684558 [0,0,0,1,0,0|2,0,0]=3 3453 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 512a_100000684558_100000735609 [0,0,0,1,0,0|2,0,0]=3 3454 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 512a_100000735609_100000684558 [0,0,0,1,0,0|2,0,0]=3 3455 B18R1.41514 CCCCCCCCCCNC(=O)NNC1CC1 273464a_100000684558_100000701032 [0,0,0,1,0,0|3,0,0]=4 3456 B18R1.41514 CCCCCCCCCCNC(=O)NNC1CC1 512a_100000684558_100000701032 [0,0,0,1,0,0|3,0,0]=4 3457 B18R1.41514 CCCCCCCCCCNC(=O)NNC1CC1 512a_100000701032_100000684558 [0,0,0,1,0,0|3,0,0]=4 3458 B18R1.41514 CCCCCCCCCCOC(=O)CNC1CC1 34a_100000212008_100000210668 [0,0,0,1,0,0|3,0,0]=4 3459 B18R1.41514 CCCCCCCCCCOC(=O)CSC1CC1 62a_100000680656_100000211595 [0,0,0,1,0,0|3,0,0]=4 3460 B18R1.41514 O=C(C=CC1CC1)CCCCCCCCCCO 1458a_100102529529_100009813290 [0,0,0,1,0,0|2,0,1]=4 3461 B18R1.41514 O=C(CCC1CC1)NCCCCCCCCCO 240690a_100000078944_100000756386 [0,0,0,1,0,0|3,0,0]=4 3462 B18R1.41514 O=C(CCCCCCCCCCO)CCC1CC1 1458a_100000756386_100009813290 [0,0,0,1,0,0|2,0,0]=3 3463 B18R1.41514 O=C(CCCCCCCCCCO)NCC1CC1 240690a_100000735609_200000016029 [0,0,0,1,0,0|2,0,0]=3 3464 B18R1.41514 O=C(CCCCCCCCCCO)NNC1CC1 22a_100000701032_200000016029 [0,0,0,1,0,0|3,0,0]=4 3465 B18R1.41514 O=C(NCCCCCCCCCO)NCC1CC1 2708a_100000078944_100000735609 [0,0,0,1,0,0|3,0,0]=4 3466 B18R1.41514 O=C(NCCCCCCCCCO)NCC1CC1 2708a_100000735609_100000078944 [0,0,0,1,0,0|3,0,0]=4 3467 B18R1.41514 O=C(NCCCCCCCCCO)NCC1CC1 273464a_100000078944_100000735609 [0,0,0,1,0,0|3,0,0]=4 3468 B18R1.41514 O=C(NCCCCCCCCCO)NCC1CC1 273464a_100000735609_100000078944 [0,0,0,1,0,0|3,0,0]=4 3469 B18R1.41514 O=C(NCCCCCCCCCO)NCC1CC1 512a_100000078944_100000735609 [0,0,0,1,0,0|3,0,0]=4 3470 B18R1.41514 O=C(NCCCCCCCCCO)NCC1CC1 512a_100000735609_100000078944 [0,0,0,1,0,0|3,0,0]=4 3471 B18R1.41515 CC1CCN1C(=O)CCCCCCCCCCO 240690a_100000755817_200000016029 [0,0,0,1,0,0|2,0,0]=3 3472 B18R1.41515 CC1CCN1C(=O)NCCCCCCCCCO 2708a_100000078944_100000755817 [0,0,0,1,0,0|3,0,0]=4 3473 B18R1.41515 CC1CCN1C(=O)NCCCCCCCCCO 273464a_100000078944_100000755817 [0,0,0,1,0,0|3,0,0]=4 3474 B18R1.41515 CCCCCCCCCC=CC(=O)N1CCC1C 11a_100000755817_200015352897 [0,0,0,1,0,0|1,0,2]=4 3475 B18R1.41515 CCCCCCCCCC=CC(=O)N1CCC1C 240690a_100000755817_200015352897 [0,0,0,1,0,0|1,0,2]=4 3476 B18R1.41515 CCCCCCCCCCCC(=O)C1CCC1=O 1458a_100000210736_100009892977 [0,0,0,1,0,0|2,0,1]=4 3477 B18R1.41515 CCCCCCCCCCCC(=O)N1CCC1C 11a_100000755817_100000210736 [0,0,0,1,0,0|1,0,0]=2 3478 B18R1.41515 CCCCCCCCCCCC(=O)N1CCC1C 240690a_100000755817_100000210736 [0,0,0,1,0,0|1,0,0]=2 3479 B18R1.41515 CCCCCCCCCCNC(=O)N1CCC1C 2708a_100000684558_100000755817 [0,0,0,1,0,0|2,0,0]=3 3480 B18R1.41515 CCCCCCCCCCNC(=O)N1CCC1C 273464a_100000684558_100000755817 [0,0,0,1,0,0|2,0,0]=3 3481 B18R1.293864 CCCCCCCCNCC1C(=CCCC1C)C 270004a_100000229939_100000066159 [0,0,0,1,0,0|3,0,0]=4 3482 B15R0.70 C#CCCCCCCCCCOCCCC 34a_100000034437_100000210210 [2,0,0,0,0,0|0,0,2]=4 3483 B15R0.70 C#CCCCCCCCCCOCCCC 7a_100000034437_100000210211 [2,0,0,0,0,0|0,0,2]=4 3484 B15R0.70 C#CCCOCCCCCCCCCCC 34a_100000210809_100000688953 [2,0,0,0,0,0|0,0,2]=4 3485 B15R0.70 C#CCCOCCCCCCCCCCC 34a_100011215631_100011215454 [2,0,0,0,0,0|0,0,2]=4 3486 B15R0.70 C#CCCOCCCCCCCCCCC 7a_100000210809_100000688953 [2,0,0,0,0,0|0,0,2]=4 3487 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100000210809_100102629194 [2,0,0,0,0,0|0,0,2]=4 3488 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100016270725_100011215454 [2,0,0,0,0,0|0,0,2]=4 3489 B15R0.70 C/C=C/COCCCCCCCCCCC 7a_100000210809_100102629194 [2,0,0,0,0,0|0,0,2]=4 3490 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000038209_100000210210 [2,0,0,0,0,0|0,0,2]=4 3491 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000210227_100009814027 [2,0,0,0,0,0|0,0,2]=4 3492 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000038209_100000210211 [2,0,0,0,0,0|0,0,2]=4 3493 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000210227_100009814027 [2,0,0,0,0,0|0,0,2]=4 3494 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100000210809_100000754431 [2,0,0,0,0,0|0,0,2]=4 3495 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100011205117_100011215454 [2,0,0,0,0,0|0,0,2]=4 3496 B15R0.70 C=CCCOCCCCCCCCCCC 7a_100000210809_100000754431 [2,0,0,0,0,0|0,0,2]=4 3497 B15R0.70 CC#CCOCCCCCCCCCCC 34a_100000210809_100000748600 [2,0,0,0,0,0|0,0,2]=4 3498 B15R0.70 CC#CCOCCCCCCCCCCC 34a_100000761923_100011215454 [2,0,0,0,0,0|0,0,2]=4 3499 B15R0.70 CC#CCOCCCCCCCCCCC 7a_100000210809_100000748600 [2,0,0,0,0,0|0,0,2]=4 3500 B15R0.70 CC=CCOCCCCCCCCCCC 34a_100000210809_100000070051 [2,0,0,0,0,0|0,0,2]=4 3501 B15R0.70 CC=CCOCCCCCCCCCCC 7a_100000210809_100000070051 [2,0,0,0,0,0|0,0,2]=4 3502 B15R0.70 CCC/C=C/COCCCCCCCCC 34a_100016278788_100011214924 [2,0,0,0,0,0|1,0,1]=4 3503 B15R0.70 CCC/C=C/COCCCCCCCCC 7a_100016278788_100000210328 [2,0,0,0,0,0|1,0,1]=4 3504 B15R0.70 CCCC/C=C/CCCCOCCCCC 34a_200020645093_100000718602 [2,0,0,0,0,0|1,0,1]=4 3505 B15R0.70 CCCC/C=C/CCCCOCCCCC 7a_200020645093_100000210326 [2,0,0,0,0,0|1,0,1]=4 3506 B15R0.70 CCCC/C=C/COCCCCCCCC 34a_200016272032_100000210759 [2,0,0,0,0,0|1,0,1]=4 3507 B15R0.70 CCCC/C=C/COCCCCCCCC 7a_200016272032_100000210759 [2,0,0,0,0,0|1,0,1]=4 3508 B15R0.70 CCCC/C=C\CCCCCCCCOC 34a_100020587526_200000210301 [2,0,0,0,0,0|1,0,1]=4 3509 B15R0.70 CCCC/C=C\CCCCCCCCOC 7a_100020587526_200000210301 [2,0,0,0,0,0|1,0,1]=4 3510 B15R0.70 CCCC/C=C\CCCCCCCCO[13CH3] 34a_100020587526_200025704644 [2,0,0,0,0,0|1,0,1]=4 3511 B15R0.70 CCCC/C=C\CCCCCCCCO[13CH3] 7a_100020587526_200025704644 [2,0,0,0,0,0|1,0,1]=4 3512 B15R0.70 CCCC/C=C\CCOCCCCCCC 34a_200016286491_100000210614 [2,0,0,0,0,0|1,0,1]=4 3513 B15R0.70 CCCC/C=C\CCOCCCCCCC 7a_200016286491_100000210614 [2,0,0,0,0,0|1,0,1]=4 3514 B15R0.70 CCCCCCCC/C=C/COCCCC 34a_200020667288_100000210210 [2,0,0,0,0,0|0,0,2]=4 3515 B15R0.70 CCCCCCCC/C=C/COCCCC 7a_200020667288_100000210211 [2,0,0,0,0,0|0,0,2]=4 3516 B15R0.70 CCCCCCCCCC/C=C/COCC 34a_200025761149_100000210202 [2,0,0,0,0,0|1,0,1]=4 3517 B15R0.70 CCCCCCCCCC/C=C/COCC 7a_200025761149_100000210202 [2,0,0,0,0,0|1,0,1]=4 3518 B15R0.70 CCCCCCCCCCC=NNCCC 4a_100000740057_100011218819 [2,0,0,0,0,0|2,0,0]=4 3519 B15R0.70 CCCCCCCCCCCC=NNCC 4a_100000756455_100011218549 [2,0,0,0,0,0|2,0,0]=4 3520 B15R0.70 CCCCCCCCCCCCCCNC 2230a_100011217771_200000210301 [2,0,0,0,0,0|1,0,1]=4 3521 B15R0.70 CCCCCCCCCCCCCCNC 2230a_106832991635_100011215471 [2,0,0,0,0,0|1,0,1]=4 3522 B15R0.70 CCCCCCCCCCCCCCNC 270004a_106832991635_200011216147 [2,0,0,0,0,0|1,0,1]=4 3523 B15R0.70 CCCCCCCCCCCCCCNC 34a_100011217771_200000210301 [2,0,0,0,0,0|1,0,1]=4 3524 B15R0.70 CCCCCCCCCCCCCCNC 34a_100102657272_100011215471 [2,0,0,0,0,0|1,0,1]=4 3525 B15R0.70 CCCCCCCCCCCCCCNC 7a_106832991635_100011215471 [2,0,0,0,0,0|1,0,1]=4 3526 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 2230a_100011217771_200025704644 [2,0,0,0,0,0|1,0,1]=4 3527 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 34a_100011217771_200025704644 [2,0,0,0,0,0|1,0,1]=4 3528 B15R0.70 CCCCCCCCCCCCCCOC 34a_100000210739_200000210301 [2,0,0,0,0,0|1,0,1]=4 3529 B15R0.70 CCCCCCCCCCCCCCOC 34a_100138415774_100011215471 [2,0,0,0,0,0|1,0,1]=4 3530 B15R0.70 CCCCCCCCCCCCCCOC 7a_100000210739_200000210301 [2,0,0,0,0,0|1,0,1]=4 3531 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 34a_100000210739_200025704644 [2,0,0,0,0,0|1,0,1]=4 3532 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 7a_100000210739_200025704644 [2,0,0,0,0,0|1,0,1]=4 3533 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100011215765_100000210202 [2,0,0,0,0,0|1,0,1]=4 3534 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100015525214_100000210684 [2,0,0,0,0,0|1,0,1]=4 3535 B15R0.70 CCCCCCCCCCCCCNCC 270004a_100015525214_200011215488 [2,0,0,0,0,0|1,0,1]=4 3536 B15R0.70 CCCCCCCCCCCCCNCC 34a_100011215765_100000210202 [2,0,0,0,0,0|1,0,1]=4 3537 B15R0.70 CCCCCCCCCCCCCOCC 34a_100000185773_100000210202 [2,0,0,0,0,0|1,0,1]=4 3538 B15R0.70 CCCCCCCCCCCCCOCC 34a_100121572206_100000210684 [2,0,0,0,0,0|1,0,1]=4 3539 B15R0.70 CCCCCCCCCCCCCOCC 7a_100000185773_100000210202 [2,0,0,0,0,0|1,0,1]=4 3540 B15R0.70 CCCCCCCCCCCCNCCC 2230a_100000210451_100000210303 [2,0,0,0,0,0|1,0,1]=4 3541 B15R0.70 CCCCCCCCCCCCNCCC 270004a_100020643023_100011218549 [2,0,0,0,0,0|1,0,1]=4 3542 B15R0.70 CCCCCCCCCCCCNCCC 34a_100000210451_100000210303 [2,0,0,0,0,0|1,0,1]=4 3543 B15R0.70 CCCCCCCCCCCCOCCBr 34a_100000211926_100000759014 [2,0,0,0,0,0|1,0,1]=4 3544 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210258_100000759014 [2,0,0,0,0,0|0,0,1]=3 3545 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210810_100000210303 [2,0,0,0,0,0|0,0,1]=3 3546 B15R0.70 CCCCCCCCCCCCOCCC 7a_100000210810_100000210303 [2,0,0,0,0,0|0,0,1]=3 3547 B15R0.70 CCCCCCCCCCCCOCCF 34a_100000210810_100011217306 [2,0,0,0,0,0|1,0,1]=4 3548 B15R0.70 CCCCCCCCCCCCOCCF 7a_100000210810_100011217306 [2,0,0,0,0,0|1,0,1]=4 3549 B15R0.70 CCCCCCCCCCCCOCCN 34a_100000210304_100000759014 [2,0,0,0,0,0|1,0,1]=4 3550 B15R0.70 CCCCCCCCCCCCOCCO 34a_100000210810_100000211926 [2,0,0,0,0,0|1,0,1]=4 3551 B15R0.70 CCCCCCCCCCCCOCCO 7a_100000210810_100000211926 [2,0,0,0,0,0|1,0,1]=4 3552 B15R0.70 CCCCCCCCCCCCOCSC 34a_100000210810_100011218213 [2,0,0,0,0,0|1,0,1]=4 3553 B15R0.70 CCCCCCCCCCCNCCCC 2230a_100000102301_100011215454 [2,0,0,0,0,0|1,0,0]=3 3554 B15R0.70 CCCCCCCCCCCNCCCC 2230a_200011215754_100000210211 [2,0,0,0,0,0|1,0,0]=3 3555 B15R0.70 CCCCCCCCCCCNCCCC 34a_200011215754_100000210210 [2,0,0,0,0,0|1,0,0]=3 3556 B15R0.70 CCCCCCCCCCCNCCCC 7a_106832991798_100011215454 [2,0,0,0,0,0|1,0,0]=3 3557 B15R0.70 CCCCCCCCCCCNCCCF 2230a_100015189416_100011215454 [2,0,0,0,0,0|2,0,0]=4 3558 B15R0.70 CCCCCCCCCCCNCCCF 2230a_200011215754_100011934791 [2,0,0,0,0,0|2,0,0]=4 3559 B15R0.70 CCCCCCCCCCCNCCCF 34a_100015189416_100011215454 [2,0,0,0,0,0|2,0,0]=4 3560 B15R0.70 CCCCCCCCCCCNCCCF 34a_200011215754_100011934791 [2,0,0,0,0,0|2,0,0]=4 3561 B15R0.70 CCCCCCCCCCCNCCCO 2230a_200011215754_100000230001 [2,0,0,0,0,0|2,0,0]=4 3562 B15R0.70 CCCCCCCCCCCNCCCO 34a_200011215754_100000230001 [2,0,0,0,0,0|2,0,0]=4 3563 B15R0.70 CCCCCCCCCCCNCCOC 2230a_100000209980_100011215454 [2,0,0,0,0,0|2,0,0]=4 3564 B15R0.70 CCCCCCCCCCCNCCOC 2230a_200011215754_100011201679 [2,0,0,0,0,0|2,0,0]=4 3565 B15R0.70 CCCCCCCCCCCNCCOC 34a_200011215754_100011201679 [2,0,0,0,0,0|2,0,0]=4 3566 B15R0.70 CCCCCCCCCCCNCCSC 2230a_100020590264_100011215454 [2,0,0,0,0,0|2,0,0]=4 3567 B15R0.70 CCCCCCCCCCCNCCSC 2230a_200011215754_100000751147 [2,0,0,0,0,0|2,0,0]=4 3568 B15R0.70 CCCCCCCCCCCNCCSC 34a_200011215754_100000212216 [2,0,0,0,0,0|2,0,0]=4 3569 B15R0.70 CCCCCCCCCCCOCCC#N 7a_100000210809_100000184422 [2,0,0,0,0,0|1,0,1]=4 3570 B15R0.70 CCCCCCCCCCCOCCCBr 34a_100011217188_100011215454 [2,0,0,0,0,0|1,0,0]=3 3571 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210227_100011215454 [2,0,0,0,0,0|0,0,0]=2 3572 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210809_100000210210 [2,0,0,0,0,0|0,0,0]=2 3573 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210227_100011215454 [2,0,0,0,0,0|0,0,0]=2 3574 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210809_100000210211 [2,0,0,0,0,0|0,0,0]=2 3575 B15R0.70 CCCCCCCCCCCOCCCCl 34a_100000230001_100011215454 [2,0,0,0,0,0|1,0,0]=3 3576 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000210809_100011934791 [2,0,0,0,0,0|1,0,0]=3 3577 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000759539_100011215454 [2,0,0,0,0,0|1,0,0]=3 3578 B15R0.70 CCCCCCCCCCCOCCCF 7a_100000210809_100011934791 [2,0,0,0,0,0|1,0,0]=3 3579 B15R0.70 CCCCCCCCCCCOCCCN 34a_100000182051_100011215454 [2,0,0,0,0,0|1,0,0]=3 3580 B15R0.70 CCCCCCCCCCCOCCCO 34a_100000210809_100000230001 [2,0,0,0,0,0|1,0,0]=3 3581 B15R0.70 CCCCCCCCCCCOCCCO 7a_100000210809_100011215043 [2,0,0,0,0,0|1,0,0]=3 3582 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210237_100011215454 [2,0,0,0,0,0|1,0,0]=3 3583 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210809_100011201679 [2,0,0,0,0,0|1,0,0]=3 3584 B15R0.70 CCCCCCCCCCCOCCOC 34a_100010166600_200000210301 [2,0,0,0,0,0|1,0,0]=3 3585 B15R0.70 CCCCCCCCCCCOCCOC 7a_100000210809_100000233755 [2,0,0,0,0,0|1,0,0]=3 3586 B15R0.70 CCCCCCCCCCCOCCOC 7a_100010166600_200000210301 [2,0,0,0,0,0|1,0,0]=3 3587 B15R0.70 CCCCCCCCCCCOCCON 34a_100000700252_100011215454 [2,0,0,0,0,0|2,0,0]=4 3588 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 34a_100010166600_200025704644 [2,0,0,0,0,0|1,0,0]=3 3589 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 7a_100010166600_200025704644 [2,0,0,0,0,0|1,0,0]=3 3590 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000210809_100000212216 [2,0,0,0,0,0|1,0,0]=3 3591 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000230434_100011215454 [2,0,0,0,0,0|1,0,0]=3 3592 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000210809_100000212216 [2,0,0,0,0,0|1,0,0]=3 3593 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000230434_100011215454 [2,0,0,0,0,0|1,0,0]=3 3594 B15R0.70 CCCCCCCCCCCSCCCF 62a_100011934791_100011215454 [2,0,0,0,0,0|1,1,0]=4 3595 B15R0.70 CCCCCCCCCCCSCCCO 62a_100011215043_100011215454 [2,0,0,0,0,0|1,1,0]=4 3596 B15R0.70 CCCCCCCCCCCSCCOC 62a_100000233755_100011215454 [2,0,0,0,0,0|1,1,0]=4 3597 B15R0.70 CCCCCCCCCCCSCCSC 62a_100000212216_100011215454 [2,0,0,0,0,0|1,1,0]=4 3598 B15R0.70 CCCCCCCCCCCSCOCC 62a_100000739092_100011215454 [2,0,0,0,0,0|1,1,0]=4 3599 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000209983_100000210320 [2,0,0,0,0,0|1,0,1]=4 3600 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000684558_100000210326 [2,0,0,0,0,0|1,0,1]=4 3601 B15R0.70 CCCCCCCCCCNCCCCC 34a_100000684558_100000718602 [2,0,0,0,0,0|1,0,1]=4 3602 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210253_100000210320 [2,0,0,0,0,0|1,0,1]=4 3603 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210711_100000718602 [2,0,0,0,0,0|1,0,1]=4 3604 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210253_100000210320 [2,0,0,0,0,0|1,0,1]=4 3605 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210711_100000210326 [2,0,0,0,0,0|1,0,1]=4 3606 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000210581_100011214924 [2,0,0,0,0,0|1,0,1]=4 3607 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000212291_100000210314 [2,0,0,0,0,0|1,0,1]=4 3608 B15R0.70 CCCCCCCCCNCCCCCC 34a_100000212291_100000210314 [2,0,0,0,0,0|1,0,1]=4 3609 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100000212291_100011215938 [2,0,0,0,0,0|1,0,1]=4 3610 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100161115042_100011214924 [2,0,0,0,0,0|1,0,1]=4 3611 B15R0.70 CCCCCCCCCNCCOCCC 34a_100000212291_100011215938 [2,0,0,0,0,0|1,0,1]=4 3612 B15R0.70 CCCCCCCCCNCCOCCC 34a_100161115042_100011214924 [2,0,0,0,0,0|1,0,1]=4 3613 B15R0.70 CCCCCCCCCNCOCCCC 2230a_100000212291_100011995733 [2,0,0,0,0,0|1,0,0]=3 3614 B15R0.70 CCCCCCCCCNCOCCCC 34a_100000212291_100011995733 [2,0,0,0,0,0|1,0,0]=3 3615 B15R0.70 CCCCCCCCCNCOCCOC 2230a_100000212291_100000231047 [2,0,0,0,0,0|2,0,0]=4 3616 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210259_100011214924 [2,0,0,0,0,0|1,0,1]=4 3617 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210712_100000210314 [2,0,0,0,0,0|1,0,1]=4 3618 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210259_100000210328 [2,0,0,0,0,0|1,0,1]=4 3619 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210712_100000210314 [2,0,0,0,0,0|1,0,1]=4 3620 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000210712_100011215938 [2,0,0,0,0,0|1,0,1]=4 3621 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000752267_100011214924 [2,0,0,0,0,0|1,0,1]=4 3622 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000210712_100011215938 [2,0,0,0,0,0|1,0,1]=4 3623 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000752267_100000210328 [2,0,0,0,0,0|1,0,1]=4 3624 B15R0.70 CCCCCCCCCOCOCCCC 34a_100000210712_100011995733 [2,0,0,0,0,0|1,0,0]=3 3625 B15R0.70 CCCCCCCCCSCCOCCC 62a_100011215938_100000210670 [2,0,0,0,0,0|1,0,1]=4 3626 B15R0.70 CCCCCCCCCSCOCCCC 62a_100011995733_100000210670 [2,0,0,0,0,0|1,0,0]=3 3627 B15R0.70 CCCCCCCCCSCOCCOC 62a_100000231047_100000210670 [2,0,0,0,0,0|2,0,0]=4 3628 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229938_100000210759 [2,0,0,0,0,0|1,0,1]=4 3629 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229939_100000210681 [2,0,0,0,0,0|1,0,1]=4 3630 B15R0.70 CCCCCCCCNCCCCCCC 34a_100000229939_100000210614 [2,0,0,0,0,0|1,0,1]=4 3631 B15R0.70 CCCCCCCCNCCCOCCC 2230a_100011217757_100000210759 [2,0,0,0,0,0|1,0,1]=4 3632 B15R0.70 CCCCCCCCNCCCOCCC 34a_100011217757_100000210759 [2,0,0,0,0,0|1,0,1]=4 3633 B15R0.70 CCCCCCCCNCCOCCCC 2230a_100000229939_100000743108 [2,0,0,0,0,0|1,0,0]=3 3634 B15R0.70 CCCCCCCCNCCOCCCC 34a_100000229939_100000743108 [2,0,0,0,0,0|1,0,0]=3 3635 B15R0.70 CCCCCCCCNCCOCCOC 2230a_100000229939_100000695917 [2,0,0,0,0,0|2,0,0]=4 3636 B15R0.70 CCCCCCCCNCCOCCOC 2230a_100000745349_100000210759 [2,0,0,0,0,0|2,0,0]=4 3637 B15R0.70 CCCCCCCCNCCOCCOC 34a_100000229939_100000695917 [2,0,0,0,0,0|2,0,0]=4 3638 B15R0.70 CCCCCCCCNCCOCCOC 34a_100000745349_100000210759 [2,0,0,0,0,0|2,0,0]=4 3639 B15R0.70 CCCCCCCCNCCSCCCC 2230a_100025743550_100000210759 [2,0,0,0,0,0|1,1,0]=4 3640 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210232_100000210614 [2,0,0,0,0,0|1,0,1]=4 3641 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210272_100000210759 [2,0,0,0,0,0|1,0,1]=4 3642 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210232_100000210614 [2,0,0,0,0,0|1,0,1]=4 3643 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210272_100000210759 [2,0,0,0,0,0|1,0,1]=4 3644 B15R0.70 CCCCCCCCOCCOCCCC 34a_100000210232_100000743108 [2,0,0,0,0,0|1,0,0]=3 3645 B15R0.70 CCCCCCCCOCCOCCCC 34a_100000210238_100000210759 [2,0,0,0,0,0|1,0,0]=3 3646 B15R0.70 CCCCCCCCOCCOCCCC 7a_100000210232_100000743108 [2,0,0,0,0,0|1,0,0]=3 3647 B15R0.70 CCCCCCCCOCCOCCCC 7a_100000210238_100000210759 [2,0,0,0,0,0|1,0,0]=3 3648 B15R0.70 CCCCCCCCOCCOCCNC 34a_100000228057_100000210759 [2,0,0,0,0,0|2,0,0]=4 3649 B15R0.70 CCCCCCCCOCCOCCOC 34a_100000210232_100000695917 [2,0,0,0,0,0|2,0,0]=4 3650 B15R0.70 CCCCCCCCOCCOCCOC 34a_100011215163_100000210759 [2,0,0,0,0,0|2,0,0]=4 3651 B15R0.70 CCCCCCCCOCCOCCOC 7a_100000210232_100000695917 [2,0,0,0,0,0|2,0,0]=4 3652 B15R0.70 CCCCCCCCOCCOCCOC 7a_100011215163_100000210759 [2,0,0,0,0,0|2,0,0]=4 3653 B15R0.70 CCCCCCCCOCCSCCCC 34a_200000230436_100000210759 [2,0,0,0,0,0|1,1,0]=4 3654 B15R0.70 CCCCCCCCOCCSCCCC 7a_200000230436_100000210759 [2,0,0,0,0,0|1,1,0]=4 3655 B15R0.70 CCCCCCCCSCCOCCCC 62a_100000210759_100000743108 [2,0,0,0,0,0|1,0,0]=3 3656 B15R0.70 CCCCCCCCSCCOCCCC 62a_100000743108_100000210317 [2,0,0,0,0,0|1,0,0]=3 3657 B15R0.70 CCCCCCCCSCCOCCOC 62a_100000210759_100000695917 [2,0,0,0,0,0|2,0,0]=4 3658 B15R0.70 CCCCCCCCSCCOCCOC 62a_100000695917_100000210317 [2,0,0,0,0,0|2,0,0]=4 3659 B15R0.70 CCCCCCCNCCCOCCCC 2230a_200000211371_100000210681 [2,0,0,0,0,0|1,0,0]=3 3660 B15R0.70 CCCCCCCNCCCOCCCC 34a_200000211371_100000210614 [2,0,0,0,0,0|1,0,0]=3 3661 B15R0.70 CCCCCCCNCCCOCCCO 2230a_100011310245_100000210681 [2,0,0,0,0,0|2,0,0]=4 3662 B15R0.70 CCCCCCCNCCCOCCCO 34a_100011310245_100000210614 [2,0,0,0,0,0|2,0,0]=4 3663 B15R0.70 CCCCCCCNCCCOCCOC 2230a_100000206027_100000210681 [2,0,0,0,0,0|2,0,0]=4 3664 B15R0.70 CCCCCCCNCCCOCCOC 2230a_100000229938_100011216529 [2,0,0,0,0,0|2,0,0]=4 3665 B15R0.70 CCCCCCCNCCCOCCOC 34a_100000206027_100000210614 [2,0,0,0,0,0|2,0,0]=4 3666 B15R0.70 CCCCCCCOCCCOCCCC 34a_200011215613_100000210614 [2,0,0,0,0,0|1,0,0]=3 3667 B15R0.70 CCCCCCCOCCCOCCCC 7a_200011215613_100000210614 [2,0,0,0,0,0|1,0,0]=3 3668 B15R0.70 CCCCCCCOCCCOCCCN 34a_100011310245_100000210614 [2,0,0,0,0,0|2,0,0]=4 3669 B15R0.70 CCCCCCCOCCCOCCOC 34a_100000210272_100011216529 [2,0,0,0,0,0|2,0,0]=4 3670 B15R0.70 CCCCCCCOCCCOCCOC 7a_100000210272_100011216529 [2,0,0,0,0,0|2,0,0]=4 3671 B15R0.70 CCCCCCCSCCCOCCOC 62a_100000210614_100011216529 [2,0,0,0,0,0|2,0,0]=4 3672 B15R0.70 CCCCCCCSCCCOCCOC 62a_100011216529_100000210316 [2,0,0,0,0,0|2,0,0]=4 3673 B15R0.70 CCCCCCOCCCCNCCCC 34a_200011216965_100000210314 [2,0,0,0,0,0|2,0,0]=4 3674 B15R0.70 CCCCCCOCCCCOCCCC 34a_200000760531_100000210314 [2,0,0,0,0,0|1,0,0]=3 3675 B15R0.70 CCCCCCOCCCCOCCCC 7a_200000760531_100000210314 [2,0,0,0,0,0|1,0,0]=3 3676 B15R0.70 CCCCCCOCCOCOCCCC 34a_100000691444_100011995733 [2,0,0,0,0,0|2,0,0]=4 3677 B15R0.70 CCCCCNCCOCCOCCCC 34a_100000224656_100000743108 [2,0,0,0,0,0|2,0,0]=4 3678 B15R0.70 CCCCCOCCOCCOCCCC 34a_100011215186_100000718602 [2,0,0,0,0,0|2,0,0]=4 3679 B15R0.70 CCCCCOCCOCCOCCCC 34a_100011215259_100000743108 [2,0,0,0,0,0|2,0,0]=4 3680 B15R0.70 CCCCCOCCOCCOCCCC 7a_100011215186_100000210326 [2,0,0,0,0,0|2,0,0]=4 3681 B15R0.70 CCCCCOCCOCCOCCCC 7a_100011215259_100000743108 [2,0,0,0,0,0|2,0,0]=4 3682 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000066964_100000210211 [2,0,0,0,0,0|2,0,0]=4 3683 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000102301_100009813290 [2,0,0,0,0,0|2,0,0]=4 3684 B15R0.70 CCCCNCCCCCCCCCCO 34a_100000066964_100000210210 [2,0,0,0,0,0|2,0,0]=4 3685 B15R0.70 CCCCNCCCCCCCCCCO 7a_106832991798_100009813290 [2,0,0,0,0,0|2,0,0]=4 3686 B15R0.70 CCCCNCCCCOCOCCCC 34a_200011216965_100011995733 [2,0,0,0,0,0|2,0,0]=4 3687 B15R0.70 CCCCOCCCCCCCCCCBr 34a_100009813290_100000210210 [2,0,0,0,0,0|1,0,0]=3 3688 B15R0.70 CCCCOCCCCCCCCCCBr 7a_100009813290_100000210211 [2,0,0,0,0,0|1,0,0]=3 3689 B15R0.70 CCCCOCCCCCCCCCCCl 34a_200000033068_100000210210 [2,0,0,0,0,0|1,0,0]=3 3690 B15R0.70 CCCCOCCCCCCCCCCCl 7a_200000033068_100000210211 [2,0,0,0,0,0|1,0,0]=3 3691 B15R0.70 CCCCOCCCCCCCCCCN 34a_100000066964_100000210210 [2,0,0,0,0,0|1,0,0]=3 3692 B15R0.70 CCCCOCCCCCCCCCCO 34a_100000210227_100009813290 [2,0,0,0,0,0|1,0,0]=3 3693 B15R0.70 CCCCOCCCCCCCCCCO 7a_100000210227_100009813290 [2,0,0,0,0,0|1,0,0]=3 3694 B15R0.70 CCCCOCCCCOCCCCCF 34a_200000760531_100000729378 [2,0,0,0,0,0|2,0,0]=4 3695 B15R0.70 CCCCOCCCCOCCCCCF 7a_200000760531_100000729378 [2,0,0,0,0,0|2,0,0]=4 3696 B15R0.70 CCCCOCCCCOCCCCCO 34a_200000760531_100000746330 [2,0,0,0,0,0|2,0,0]=4 3697 B15R0.70 CCCCOCCCCOCCCCCO 7a_200000760531_100000746330 [2,0,0,0,0,0|2,0,0]=4 3698 B15R0.70 CCCCOCCCCOCCCCOC 34a_200000760531_100000755781 [2,0,0,0,0,0|2,0,0]=4 3699 B15R0.70 CCCCOCCCCOCCCCOC 7a_200000760531_100000730899 [2,0,0,0,0,0|2,0,0]=4 3700 B15R0.70 CCCCOCCCCOCCCOCC 34a_200000760531_100012232248 [2,0,0,0,0,0|2,0,0]=4 3701 B15R0.70 CCCCOCCCCOCCCOCC 7a_200000760531_100012232248 [2,0,0,0,0,0|2,0,0]=4 3702 B15R0.70 CCCCOCCCCOCCOCCC 34a_200000760531_100011215938 [2,0,0,0,0,0|2,0,0]=4 3703 B15R0.70 CCCCOCCCCOCCOCCC 7a_200000760531_100011215938 [2,0,0,0,0,0|2,0,0]=4 3704 B15R0.70 CCCCOCCCCOCOCCCC 34a_200000760531_100011995733 [2,0,0,0,0,0|2,0,0]=4 3705 B15R0.70 CCCCOCCCNCCCCCCF 2230a_200000211371_100015922095 [2,0,0,0,0,0|2,0,0]=4 3706 B15R0.70 CCCCOCCCNCCCCCCF 34a_200000211371_100015922095 [2,0,0,0,0,0|2,0,0]=4 3707 B15R0.70 CCCCOCCCNCCCCCCO 2230a_200000211371_100000766143 [2,0,0,0,0,0|2,0,0]=4 3708 B15R0.70 CCCCOCCCNCCCCCCO 34a_200000211371_100000766143 [2,0,0,0,0,0|2,0,0]=4 3709 B15R0.70 CCCCOCCCNCCOCCCC 2230a_200000211371_100000743108 [2,0,0,0,0,0|2,0,0]=4 3710 B15R0.70 CCCCOCCCNCCOCCCC 34a_200000211371_100000743108 [2,0,0,0,0,0|2,0,0]=4 3711 B15R0.70 CCCCOCCCOCCCCCCF 34a_200011215613_100015922095 [2,0,0,0,0,0|2,0,0]=4 3712 B15R0.70 CCCCOCCCOCCCCCCF 7a_200011215613_100015922095 [2,0,0,0,0,0|2,0,0]=4 3713 B15R0.70 CCCCOCCCOCCCCCCO 34a_200011215613_100000766143 [2,0,0,0,0,0|2,0,0]=4 3714 B15R0.70 CCCCOCCCOCCCCCCO 7a_200011215613_100000766143 [2,0,0,0,0,0|2,0,0]=4 3715 B15R0.70 CCCCOCCCOCCOCCCC 34a_200011215613_100000743108 [2,0,0,0,0,0|2,0,0]=4 3716 B15R0.70 CCCCOCCCOCCOCCCC 7a_200011215613_100000743108 [2,0,0,0,0,0|2,0,0]=4 3717 B15R0.70 CCCCOCCNCCCCCCCO 2230a_100011996573_100000743108 [2,0,0,0,0,0|2,0,0]=4 3718 B15R0.70 CCCCOCCNCCCCCCCO 34a_100011996573_100000743108 [2,0,0,0,0,0|2,0,0]=4 3719 B15R0.70 CCCCOCCOCCCCCCCBr 34a_100000760002_100000743108 [2,0,0,0,0,0|2,0,0]=4 3720 B15R0.70 CCCCOCCOCCCCCCCBr 7a_100000760002_100000743108 [2,0,0,0,0,0|2,0,0]=4 3721 B15R0.70 CCCCOCCOCCCCCCCN 34a_100011996573_100000743108 [2,0,0,0,0,0|2,0,0]=4 3722 B15R0.70 CCCCOCCOCCCCCCCO 34a_100000210238_100000760002 [2,0,0,0,0,0|2,0,0]=4 3723 B15R0.70 CCCCOCCOCCCCCCCO 7a_100000210238_100000760002 [2,0,0,0,0,0|2,0,0]=4 3724 B15R0.70 CCCCOCCOCCCCCCOC 34a_100000210238_100011998445 [2,0,0,0,0,0|2,0,0]=4 3725 B15R0.70 CCCCOCCOCCCCCCOC 34a_200012092642_100000743108 [2,0,0,0,0,0|2,0,0]=4 3726 B15R0.70 CCCCOCCOCCCCCCOC 7a_100000210238_100011998445 [2,0,0,0,0,0|2,0,0]=4 3727 B15R0.70 CCCCOCCOCCCCCCOC 7a_200012092642_100000743108 [2,0,0,0,0,0|2,0,0]=4 3728 B15R0.70 CCCCOCCSCCCCCCCO 62a_100000743108_100000760002 [2,0,0,0,0,0|2,0,0]=4 3729 B15R0.70 CCCCOCCSCCCCCCCO 62a_100000760002_100000743108 [2,0,0,0,0,0|2,0,0]=4 3730 B15R0.70 CCCCOCCSCCCCCCOC 62a_100000743108_100011998445 [2,0,0,0,0,0|2,0,0]=4 3731 B15R0.70 CCCCOCCSCCCCCCOC 62a_100011998445_100000743108 [2,0,0,0,0,0|2,0,0]=4 3732 B15R0.70 CCCCOCNCCCCCCCCO 2230a_102515433106_100011995733 [2,0,0,0,0,0|2,0,0]=4 3733 B15R0.70 CCCCOCNCCCCCCCCO 34a_102515433106_100011995733 [2,0,0,0,0,0|2,0,0]=4 3734 B15R0.70 CCCCOCOCCCCCCCCBr 34a_100009813846_100011995733 [2,0,0,0,0,0|2,0,0]=4 3735 B15R0.70 CCCCOCOCCCCCCCCCl 34a_100000033203_100011995733 [2,0,0,0,0,0|2,0,0]=4 3736 B15R0.70 CCCCOCOCCCCCCCCN 34a_102515433106_100011995733 [2,0,0,0,0,0|2,0,0]=4 3737 B15R0.70 CCCCOCSCCCCCCCCO 62a_100000033203_100011995733 [2,0,0,0,0,0|2,0,0]=4 3738 B15R0.70 CCCCOCSCCCCCCCCO 62a_100011995733_100000033203 [2,0,0,0,0,0|2,0,0]=4 3739 B15R0.70 CCCCSCCCCCCCCCCO 62a_100000210211_200000033068 [2,0,0,0,0,0|1,1,0]=4 3740 B15R0.70 CCCCSCCCCCCCCCCO 62a_100009813290_100000210210 [2,0,0,0,0,0|1,1,0]=4 3741 B15R0.70 CCCOCCCCCCCCCCCBr 34a_100009812471_100000210303 [2,0,0,0,0,0|1,0,1]=4 3742 B15R0.70 CCCOCCCCCCCCCCCBr 7a_100009812471_100000210303 [2,0,0,0,0,0|1,0,1]=4 3743 B15R0.70 CCCOCCCCCCCCCCCO 34a_100000210258_100009812471 [2,0,0,0,0,0|1,0,1]=4 3744 B15R0.70 CCCOCCCCCCCCCOCC 34a_100009875440_100000210303 [2,0,0,0,0,0|1,0,1]=4 3745 B15R0.70 CCCOCCCCCCCCCOCC 7a_100009875440_100000210303 [2,0,0,0,0,0|1,0,1]=4 3746 B15R0.70 COCCOCCCCCCCCCCBr 34a_100009813290_100011201679 [2,0,0,0,0,0|2,0,0]=4 3747 B15R0.70 COCCOCCCCCCCCCCBr 7a_100009813290_100000233755 [2,0,0,0,0,0|2,0,0]=4 3748 B15R0.70 COCCOCCCCCCCCCCCl 34a_200000033068_100011201679 [2,0,0,0,0,0|2,0,0]=4 3749 B15R0.70 COCCOCCCCCCCCCCCl 7a_200000033068_100000233755 [2,0,0,0,0,0|2,0,0]=4 3750 B15R0.70 COCCOCCCCCCCCCCN 34a_100000066964_100011201679 [2,0,0,0,0,0|2,0,0]=4 3751 B15R0.70 COCCOCCCCCCCCCCO 34a_100000210237_100009813290 [2,0,0,0,0,0|2,0,0]=4 3752 B15R0.70 CSCCOCCCCCCCCCCBr 34a_100009813290_100000212216 [2,0,0,0,0,0|2,0,0]=4 3753 B15R0.70 CSCCOCCCCCCCCCCBr 7a_100009813290_100000212216 [2,0,0,0,0,0|2,0,0]=4 3754 B15R0.70 CSCCOCCCCCCCCCCCl 34a_200000033068_100000212216 [2,0,0,0,0,0|2,0,0]=4 3755 B15R0.70 CSCCOCCCCCCCCCCCl 7a_200000033068_100000212216 [2,0,0,0,0,0|2,0,0]=4 3756 B15R0.70 CSCCOCCCCCCCCCCN 34a_100000066964_100000212216 [2,0,0,0,0,0|2,0,0]=4 3757 B15R0.70 CSCCOCCCCCCCCCCO 34a_100000230434_100009813290 [2,0,0,0,0,0|2,0,0]=4 3758 B15R0.70 CSCCOCCCCCCCCCCO 7a_100000230434_100009813290 [2,0,0,0,0,0|2,0,0]=4 3759 B15R0.70 FCCCOCCCCCCCCCCBr 34a_100009813290_100011934791 [2,0,0,0,0,0|2,0,0]=4 3760 B15R0.70 FCCCOCCCCCCCCCCBr 7a_100009813290_100011934791 [2,0,0,0,0,0|2,0,0]=4 3761 B15R0.70 FCCCOCCCCCCCCCCCl 34a_200000033068_100011934791 [2,0,0,0,0,0|2,0,0]=4 3762 B15R0.70 FCCCOCCCCCCCCCCCl 7a_200000033068_100011934791 [2,0,0,0,0,0|2,0,0]=4 3763 B15R0.70 NCCCCCCCCCCOCCCF 34a_100000066964_100011934791 [2,0,0,0,0,0|2,0,0]=4 3764 B15R0.70 NCCCCCCCCCCOCCCO 34a_100000066964_100000230001 [2,0,0,0,0,0|2,0,0]=4 3765 B15R0.70 NCCCOCCCCCCCCCCO 34a_100000182051_100009813290 [2,0,0,0,0,0|2,0,0]=4 3766 B15R0.70 OCCCCCCCCCCOCCCBr 34a_100011217188_100009813290 [2,0,0,0,0,0|2,0,0]=4 3767 B15R0.70 OCCCCCCCCCCOCCCCl 34a_100000230001_100009813290 [2,0,0,0,0,0|2,0,0]=4 3768 B15R0.70 OCCCCCCCCCCOCCCF 34a_100000759539_100009813290 [2,0,0,0,0,0|2,0,0]=4 3769 B15R0.70 OCCCOCCCCCCCCCCBr 34a_100009813290_100000230001 [2,0,0,0,0,0|2,0,0]=4 3770 B15R0.70 OCCCOCCCCCCCCCCBr 7a_100009813290_100011215043 [2,0,0,0,0,0|2,0,0]=4 3771 B15R0.70 OCCCOCCCCCCCCCCCl 34a_200000033068_100000230001 [2,0,0,0,0,0|2,0,0]=4 3772 B15R0.70 OCCCOCCCCCCCCCCCl 7a_200000033068_100011215043 [2,0,0,0,0,0|2,0,0]=4 3773 B15R0.322 CCCC#CC(=O)CCCCCCCCC 1458a_200011218047_100000210670 [2,0,0,0,0,0|1,0,1]=4 3774 B15R0.322 CCCC=CC(=O)CCCCCCCCC 1458a_100000212230_100000210670 [2,0,0,0,0,0|1,0,1]=4 3775 B15R0.322 CCCCCC(=O)CCCCCCCCO 1458a_100000212188_100000033203 [2,0,0,0,0,0|2,0,0]=4 3776 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000210558_100000210326 [2,0,0,0,0,0|1,0,0]=3 3777 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210670 [2,0,0,0,0,0|1,0,0]=3 3778 B15R0.322 CCCCCCCCCC(=O)CCCCF 1458a_100000210558_100000729493 [2,0,0,0,0,0|2,0,0]=4 3779 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000210558_100000210776 [2,0,0,0,0,0|2,0,0]=4 3780 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210670 [2,0,0,0,0,0|2,0,0]=4 3781 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000210558_100000740836 [2,0,0,0,0,0|2,0,0]=4 3782 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210670 [2,0,0,0,0,0|2,0,0]=4 3783 B15R0.322 CCCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210670 [2,0,0,0,0,0|2,0,0]=4 3784 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000210558_100011215890 [2,0,0,0,0,0|2,0,0]=4 3785 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210670 [2,0,0,0,0,0|2,0,0]=4 3786 B15R0.322 CCCCCCCCCC(=O)CCSCC 1458a_100000210558_100000757381 [2,0,0,0,0,0|2,0,0]=4 3787 B15R0.322 CCCCCCCCCC(=O)CCSCC 1458a_100000230768_100000210670 [2,0,0,0,0,0|2,0,0]=4 3788 B15R0.322 CCCCCCCCCC(=O)COCCC 1458a_100000745993_100000210670 [2,0,0,0,0,0|2,0,0]=4 3789 B15R0.322 CCCCCCCCCC(=O)CSCCC 1458a_100000217233_100000210670 [2,0,0,0,0,0|2,0,0]=4 3790 B15R0.322 CCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210558 [2,0,0,0,0,0|1,0,0]=3 3791 B15R0.322 CCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210558 [2,0,0,0,0,0|1,0,0]=3 3792 B15R0.322 CCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210558 [2,0,0,0,0,0|1,0,0]=3 3793 B15R0.322 CCCCCCCCCC(=O)NCCCC 527a_100000102301_100000210558 [2,0,0,0,0,0|1,0,0]=3 3794 B15R0.322 CCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210558 [2,0,0,0,0,0|2,0,0]=4 3795 B15R0.322 CCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210558 [2,0,0,0,0,0|2,0,0]=4 3796 B15R0.322 CCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210558 [2,0,0,0,0,0|2,0,0]=4 3797 B15R0.322 CCCCCCCCCC(=O)NCCCF 527a_100015189416_100000210558 [2,0,0,0,0,0|2,0,0]=4 3798 B15R0.322 CCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210558 [2,0,0,0,0,0|2,0,0]=4 3799 B15R0.322 CCCCCCCCCC(=O)NCCCO 527a_100000182051_100000210558 [2,0,0,0,0,0|2,0,0]=4 3800 B15R0.322 CCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210558 [2,0,0,0,0,0|2,0,0]=4 3801 B15R0.322 CCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210558 [2,0,0,0,0,0|2,0,0]=4 3802 B15R0.322 CCCCCCCCCC(=O)NCCOC 527a_100000209980_100000210558 [2,0,0,0,0,0|2,0,0]=4 3803 B15R0.322 CCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210558 [2,0,0,0,0,0|2,0,0]=4 3804 B15R0.322 CCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210558 [2,0,0,0,0,0|2,0,0]=4 3805 B15R0.322 CCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210558 [2,0,0,0,0,0|2,0,0]=4 3806 B15R0.322 CCCCCCCCCC(=O)NCCSC 527a_100020590264_100000210558 [2,0,0,0,0,0|2,0,0]=4 3807 B15R0.322 CCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210558 [2,0,0,0,0,0|2,0,0]=4 3808 B15R0.322 CCCCCCCCCC(=O)OCNCC 2230a_100015525214_200010990708 [2,0,0,0,0,0|1,0,0]=3 3809 B15R0.322 CCCCCCCCCC(=O)OCOCC 34a_100121572206_200010990708 [2,0,0,0,0,0|1,0,0]=3 3810 B15R0.322 CCCCCCCCCC(=O)OCSCC 62a_100000210202_200010990708 [2,0,0,0,0,0|1,0,0]=3 3811 B15R0.322 CCCCCCCCCC(=O)OCSCF 62a_100015361967_200010990708 [2,0,0,0,0,0|2,0,0]=4 3812 B15R0.322 CCCCCCCCCC(C)OCCCC 34a_100011218016_100000210210 [2,0,0,0,0,0|1,0,1]=4 3813 B15R0.322 CCCCCCCCCC(C)OCCCC 7a_100011218016_100000210211 [2,0,0,0,0,0|1,0,1]=4 3814 B15R0.322 CCCCCCCCNC(=O)CCCCC 11a_100000229939_100000212188 [2,0,0,0,0,0|2,0,0]=4 3815 B15R0.322 CCCCCCCCNC(=O)CCCCC 1626a_100000229939_100000212188 [2,0,0,0,0,0|2,0,0]=4 3816 B15R0.322 CCCCCCCCNC(=O)CCCCC 240690a_100000229939_100000212188 [2,0,0,0,0,0|2,0,0]=4 3817 B15R0.322 CCCCCCCCNC(=O)CCCCC 527a_100000229939_100000212188 [2,0,0,0,0,0|2,0,0]=4 3818 B15R0.322 CCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000229939 [2,0,0,0,0,0|2,0,0]=4 3819 B15R0.322 CCCCCCCCNC(=O)NCCCC 2708a_100000229939_100000102301 [2,0,0,0,0,0|2,0,0]=4 3820 B15R0.322 CCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000229939 [2,0,0,0,0,0|2,0,0]=4 3821 B15R0.322 CCCCCCCCNC(=O)NCCCC 273464a_100000229939_100000102301 [2,0,0,0,0,0|2,0,0]=4 3822 B15R0.322 CCCCCCCCNC(=O)NCCCC 512a_100000102301_100000229939 [2,0,0,0,0,0|2,0,0]=4 3823 B15R0.322 CCCCCCCCNC(=O)NCCCC 512a_100000229939_100000102301 [2,0,0,0,0,0|2,0,0]=4 3824 B15R0.322 CCCCCCCNCC(=O)CCCCC 2230a_100000229938_200012276598 [2,0,0,0,0,0|2,0,0]=4 3825 B15R0.322 CCCCCCCNCC(=O)NCCCC 2230a_100000229938_100000182744 [2,0,0,0,0,0|2,0,0]=4 3826 B15R0.322 CCCCCCCNCC(=O)OCCCC 2230a_100000229938_100000211628 [2,0,0,0,0,0|1,0,0]=3 3827 B15R0.322 CCCCCCCNCC(=O)OCCOC 2230a_100000229938_200000040189 [2,0,0,0,0,0|2,0,0]=4 3828 B15R0.322 CCCCCCCOCC(=O)CCCCC 34a_100000210272_200012276598 [2,0,0,0,0,0|2,0,0]=4 3829 B15R0.322 CCCCCCCOCC(=O)CCCCC 7a_100000210272_200012276598 [2,0,0,0,0,0|2,0,0]=4 3830 B15R0.322 CCCCCCCOCC(=O)NCCCC 34a_100000210272_100000182744 [2,0,0,0,0,0|2,0,0]=4 3831 B15R0.322 CCCCCCCOCC(=O)NCCCC 7a_100000210272_100000182744 [2,0,0,0,0,0|2,0,0]=4 3832 B15R0.322 CCCCCCCOCC(=O)OCCCC 34a_100000210272_100000211628 [2,0,0,0,0,0|1,0,0]=3 3833 B15R0.322 CCCCCCCOCC(=O)OCCCC 7a_100000210272_100000211628 [2,0,0,0,0,0|1,0,0]=3 3834 B15R0.322 CCCCCCCOCC(=O)OCCOC 34a_100000210272_200000040189 [2,0,0,0,0,0|2,0,0]=4 3835 B15R0.322 CCCCCCCOCC(=O)OCCOC 7a_100000210272_200000040189 [2,0,0,0,0,0|2,0,0]=4 3836 B15R0.322 CCCCCCCSCC(=O)CCCCC 62a_100000210614_200012276598 [2,0,0,0,0,0|2,0,0]=4 3837 B15R0.322 CCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210316 [2,0,0,0,0,0|2,0,0]=4 3838 B15R0.322 CCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210316 [2,0,0,0,0,0|2,0,0]=4 3839 B15R0.322 CCCCCCCSCC(=O)NCCCC 62a_100000210614_100000182744 [2,0,0,0,0,0|2,0,0]=4 3840 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000210614_100000211628 [2,0,0,0,0,0|1,0,0]=3 3841 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210316 [2,0,0,0,0,0|1,0,0]=3 3842 B15R0.322 CCCCCCCSCC(=O)OCCOC 62a_100000210614_200000040189 [2,0,0,0,0,0|2,0,0]=4 3843 B15R0.322 CCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210316 [2,0,0,0,0,0|2,0,0]=4 3844 B15R0.322 CCCCNC(=O)CCCCCCCCO 240690a_100000102301_100000015970 [2,0,0,0,0,0|2,0,0]=4 3845 B15R0.322 CCCCOC(=O)CNCCCCCCO 2230a_100000686447_100000211628 [2,0,0,0,0,0|2,0,0]=4 3846 B15R0.322 CCCCOC(=O)CNCCCCCCO 34a_100000686447_100000211628 [2,0,0,0,0,0|2,0,0]=4 3847 B15R0.322 CCCCOC(=O)CNCCCCCOC 2230a_100000747528_100000211628 [2,0,0,0,0,0|2,0,0]=4 3848 B15R0.322 CCCCOC(=O)CNCCCCCOC 34a_100000747528_100000211628 [2,0,0,0,0,0|2,0,0]=4 3849 B15R0.322 CCCCOC(=O)CNCCCOCCC 2230a_100011217757_100000211628 [2,0,0,0,0,0|2,0,0]=4 3850 B15R0.322 CCCCOC(=O)CNCCCOCCC 34a_100011217757_100000211628 [2,0,0,0,0,0|2,0,0]=4 3851 B15R0.322 CCCCOC(=O)CNCCSCCCC 2230a_100025743550_100000211628 [2,0,0,0,0,0|2,0,0]=4 3852 B15R0.322 CCCCOC(=O)COCCCCCCBr 34a_100011215345_100000211628 [2,0,0,0,0,0|2,0,0]=4 3853 B15R0.322 CCCCOC(=O)COCCCCCCBr 7a_100011215345_100000211628 [2,0,0,0,0,0|2,0,0]=4 3854 B15R0.322 CCCCOC(=O)COCCCCCCCl 34a_100000766143_100000211628 [2,0,0,0,0,0|2,0,0]=4 3855 B15R0.322 CCCCOC(=O)COCCCCCCCl 7a_100000766143_100000211628 [2,0,0,0,0,0|2,0,0]=4 3856 B15R0.322 CCCCOC(=O)COCCCCCCF 34a_100000732779_100000211628 [2,0,0,0,0,0|2,0,0]=4 3857 B15R0.322 CCCCOC(=O)COCCCCCCF 7a_100000732779_100000211628 [2,0,0,0,0,0|2,0,0]=4 3858 B15R0.322 CCCCOC(=O)COCCCCCCN 34a_100000686447_100000211628 [2,0,0,0,0,0|2,0,0]=4 3859 B15R0.322 CCCCOC(=O)COCCCCCNC 34a_100000722520_100000211628 [2,0,0,0,0,0|2,0,0]=4 3860 B15R0.322 CCCCOC(=O)COCCSCCCC 34a_200000230436_100000211628 [2,0,0,0,0,0|2,0,0]=4 3861 B15R0.322 CCCCOC(=O)COCCSCCCC 7a_200000230436_100000211628 [2,0,0,0,0,0|2,0,0]=4 3862 B15R0.322 CCCCOC(=O)CSCCCCCCF 62a_100000211628_100015922095 [2,0,0,0,0,0|2,0,0]=4 3863 B15R0.322 CCCCOC(=O)CSCCCCCCF 62a_100015922095_100000211628 [2,0,0,0,0,0|2,0,0]=4 3864 B15R0.322 CCCCOC(=O)CSCCCCCCO 62a_100000211628_100000766143 [2,0,0,0,0,0|2,0,0]=4 3865 B15R0.322 CCCCOC(=O)CSCCCCCCO 62a_100000766143_100000211628 [2,0,0,0,0,0|2,0,0]=4 3866 B15R0.322 CCCCOCCOCC(=O)OCCCC 34a_100000210238_100000211628 [2,0,0,0,0,0|2,0,0]=4 3867 B15R0.322 CCCCOCCOCC(=O)OCCCC 7a_100000210238_100000211628 [2,0,0,0,0,0|2,0,0]=4 3868 B15R0.322 CCCCOCCSCC(=O)OCCCC 62a_100000211628_100000743108 [2,0,0,0,0,0|2,0,0]=4 3869 B15R0.322 CCCCOCCSCC(=O)OCCCC 62a_100000743108_100000211628 [2,0,0,0,0,0|2,0,0]=4 3870 B15R0.2002 C#CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000753159 [2,0,0,0,0,0|0,0,2]=4 3871 B15R0.2002 C#CCCC(=O)CCCCCCCCCC 1458a_100000692101_100000210319 [2,0,0,0,0,0|0,0,2]=4 3872 B15R0.2002 C#CCCCCCCCCC(=O)CCCC 1458a_100000029693_100000210211 [2,0,0,0,0,0|0,0,2]=4 3873 B15R0.2002 C/C=C/CC(=O)CCCCCCCCCC 1458a_100000210375_100102629194 [2,0,0,0,0,0|0,0,2]=4 3874 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000754431 [2,0,0,0,0,0|0,0,2]=4 3875 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000749702_100000210319 [2,0,0,0,0,0|0,0,2]=4 3876 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000210183_100011933949 [2,0,0,0,0,0|0,0,2]=4 3877 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000211349_100000210211 [2,0,0,0,0,0|0,0,2]=4 3878 B15R0.2002 CC#CCC(=O)CCCCCCCCCC 1458a_100000210375_100000748600 [2,0,0,0,0,0|0,0,2]=4 3879 B15R0.2002 CC#CCCCCCCCC(=O)CCCC 1458a_100000066323_100000210211 [2,0,0,0,0,0|0,0,2]=4 3880 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000070051 [2,0,0,0,0,0|0,0,2]=4 3881 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100121576822_100000210319 [2,0,0,0,0,0|0,0,2]=4 3882 B15R0.2002 CCC#CC(=O)CCCCCCCCCC 1458a_100011827653_100000210319 [2,0,0,0,0,0|0,0,2]=4 3883 B15R0.2002 CCC#CCCCCCCC(=O)CCCC 1458a_100000210183_200000036426 [2,0,0,0,0,0|0,0,2]=4 3884 B15R0.2002 CCC=CC(=O)CCCCCCCCCC 1458a_100000212282_100000210319 [2,0,0,0,0,0|0,0,2]=4 3885 B15R0.2002 CCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210211 [2,0,0,0,0,0|1,0,0]=3 3886 B15R0.2002 CCCCC(=O)CCCCCCCCCO 1458a_100000210183_100009813782 [2,0,0,0,0,0|1,0,0]=3 3887 B15R0.2002 CCCCC(=O)NCCCCCCCCO 240690a_102515433106_100000210183 [2,0,0,0,0,0|2,0,0]=4 3888 B15R0.2002 CCCCCCCCC=CC(=O)CCCC 1458a_100015345288_100000210211 [2,0,0,0,0,0|0,0,2]=4 3889 B15R0.2002 CCCCCCCCCCC(=O)CCC#N 1458a_100000210375_100011215226 [2,0,0,0,0,0|1,0,1]=4 3890 B15R0.2002 CCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210319 [2,0,0,0,0,0|1,0,1]=4 3891 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210319 [2,0,0,0,0,0|0,0,0]=2 3892 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210375_100000210211 [2,0,0,0,0,0|0,0,0]=2 3893 B15R0.2002 CCCCCCCCCCC(=O)CCCF 1458a_100000210375_100011934791 [2,0,0,0,0,0|1,0,0]=3 3894 B15R0.2002 CCCCCCCCCCC(=O)CCCO 1458a_100000210375_100011215043 [2,0,0,0,0,0|1,0,0]=3 3895 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000210375_100000233755 [2,0,0,0,0,0|1,0,0]=3 3896 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210319 [2,0,0,0,0,0|1,0,0]=3 3897 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210319 [2,0,0,0,0,0|1,0,0]=3 3898 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000210375_100000751147 [2,0,0,0,0,0|1,0,0]=3 3899 B15R0.2002 CCCCCCCCCCC(=O)COCC 1458a_100000211967_100000210319 [2,0,0,0,0,0|1,0,0]=3 3900 B15R0.2002 CCCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210319 [2,0,0,0,0,0|1,0,0]=3 3901 B15R0.2002 CCCCCCCCCCC(=O)NCCC 11a_100020643023_100000210375 [2,0,0,0,0,0|1,0,0]=3 3902 B15R0.2002 CCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210375 [2,0,0,0,0,0|1,0,0]=3 3903 B15R0.2002 CCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210375 [2,0,0,0,0,0|1,0,0]=3 3904 B15R0.2002 CCCCCCCCCCC(=O)NCCF 11a_100000724931_100000210375 [2,0,0,0,0,0|2,0,0]=4 3905 B15R0.2002 CCCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210375 [2,0,0,0,0,0|2,0,0]=4 3906 B15R0.2002 CCCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210375 [2,0,0,0,0,0|2,0,0]=4 3907 B15R0.2002 CCCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210375 [2,0,0,0,0,0|2,0,0]=4 3908 B15R0.2002 CCCCCCCCCCC(=O)NNCC 22a_100000756455_100000210375 [2,0,0,0,0,0|2,0,0]=4 3909 B15R0.2002 CCCCCCCCCCC(C)OCCC 34a_100011215000_100000210303 [2,0,0,0,0,0|1,0,1]=4 3910 B15R0.2002 CCCCCCCCCCC(C)OCCC 7a_100011215000_100000210303 [2,0,0,0,0,0|1,0,1]=4 3911 B15R0.2002 CCCCCCCCCCN(C)CCCC 2230a_100000207549_100000210320 [2,0,0,0,0,0|2,0,0]=4 3912 B15R0.2002 CCCCCCCCCCN(C)CCCC 2230a_100000207566_100000210211 [2,0,0,0,0,0|2,0,0]=4 3913 B15R0.2002 CCCCCCCCCCN(C)CCCC 269982a_100000207549_100000210320 [2,0,0,0,0,0|2,0,0]=4 3914 B15R0.2002 CCCCCCCCCCN(C)CCCC 269982a_100000207566_100000210211 [2,0,0,0,0,0|2,0,0]=4 3915 B15R0.2002 CCCCCCCCCNC(=O)CCCC 11a_100000212291_100000210183 [2,0,0,0,0,0|1,0,0]=3 3916 B15R0.2002 CCCCCCCCCNC(=O)CCCC 1626a_100000212291_100000210183 [2,0,0,0,0,0|1,0,0]=3 3917 B15R0.2002 CCCCCCCCCNC(=O)CCCC 240690a_100000212291_100000210183 [2,0,0,0,0,0|1,0,0]=3 3918 B15R0.2002 CCCCCCCCCNC(=O)CCCC 527a_100000212291_100000210183 [2,0,0,0,0,0|1,0,0]=3 3919 B15R0.2002 CCCCCCCCCNC(=O)CCOC 11a_100000212291_100000749529 [2,0,0,0,0,0|2,0,0]=4 3920 B15R0.2002 CCCCCCCCCNC(=O)CCOC 1626a_100000212291_100000749529 [2,0,0,0,0,0|2,0,0]=4 3921 B15R0.2002 CCCCCCCCCNC(=O)CCOC 240690a_100000212291_100000749529 [2,0,0,0,0,0|2,0,0]=4 3922 B15R0.2002 CCCCCCCCCNC(=O)CCOC 527a_100000212291_100000749529 [2,0,0,0,0,0|2,0,0]=4 3923 B15R0.2002 CCCCCCCCCNC(=O)CCSC 11a_100000212291_100000174002 [2,0,0,0,0,0|2,0,0]=4 3924 B15R0.2002 CCCCCCCCCNC(=O)CCSC 1626a_100000212291_100000174002 [2,0,0,0,0,0|2,0,0]=4 3925 B15R0.2002 CCCCCCCCCNC(=O)CCSC 240690a_100000212291_100000174002 [2,0,0,0,0,0|2,0,0]=4 3926 B15R0.2002 CCCCCCCCCNC(=O)CCSC 527a_100000212291_100000174002 [2,0,0,0,0,0|2,0,0]=4 3927 B15R0.2002 CCCCCCCCCNC(=O)COCC 11a_100000212291_100000211967 [2,0,0,0,0,0|2,0,0]=4 3928 B15R0.2002 CCCCCCCCCNC(=O)COCC 1626a_100000212291_100000211967 [2,0,0,0,0,0|2,0,0]=4 3929 B15R0.2002 CCCCCCCCCNC(=O)COCC 240690a_100000212291_100000211967 [2,0,0,0,0,0|2,0,0]=4 3930 B15R0.2002 CCCCCCCCCNC(=O)COCC 527a_100000212291_100000211967 [2,0,0,0,0,0|2,0,0]=4 3931 B15R0.2002 CCCCCCCCCNC(=O)CSCC 11a_100000212291_100000230394 [2,0,0,0,0,0|2,0,0]=4 3932 B15R0.2002 CCCCCCCCCNC(=O)CSCC 1626a_100000212291_100000230394 [2,0,0,0,0,0|2,0,0]=4 3933 B15R0.2002 CCCCCCCCCNC(=O)CSCC 240690a_100000212291_100000230394 [2,0,0,0,0,0|2,0,0]=4 3934 B15R0.2002 CCCCCCCCCNC(=O)CSCC 527a_100000212291_100000230394 [2,0,0,0,0,0|2,0,0]=4 3935 B15R0.2002 CCCCCCCCCNC(=O)NCCC 2708a_100000212291_100020643023 [2,0,0,0,0,0|2,0,0]=4 3936 B15R0.2002 CCCCCCCCCNC(=O)NCCC 2708a_100020643023_100000212291 [2,0,0,0,0,0|2,0,0]=4 3937 B15R0.2002 CCCCCCCCCNC(=O)NCCC 273464a_100000212291_100020643023 [2,0,0,0,0,0|2,0,0]=4 3938 B15R0.2002 CCCCCCCCCNC(=O)NCCC 273464a_100020643023_100000212291 [2,0,0,0,0,0|2,0,0]=4 3939 B15R0.2002 CCCCCCCCCNC(=O)NCCC 512a_100000212291_100020643023 [2,0,0,0,0,0|2,0,0]=4 3940 B15R0.2002 CCCCCCCCCNC(=O)NCCC 512a_100020643023_100000212291 [2,0,0,0,0,0|2,0,0]=4 3941 B15R0.2002 CCCCCCCCNCC(=O)NCCC 2230a_100000174927_100000210759 [2,0,0,0,0,0|2,0,0]=4 3942 B15R0.2002 CCCCCCCCNCC(=O)NCCC 2230a_100000229939_100000183358 [2,0,0,0,0,0|2,0,0]=4 3943 B15R0.2002 CCCCCCCCNCC(=O)NCCC 34a_100000229939_100000183358 [2,0,0,0,0,0|2,0,0]=4 3944 B15R0.2002 CCCCCCCCNCC(=O)OCCC 2230a_100000229939_200011215008 [2,0,0,0,0,0|1,0,0]=3 3945 B15R0.2002 CCCCCCCCNCC(=O)OCCC 34a_100000229939_200011215008 [2,0,0,0,0,0|1,0,0]=3 3946 B15R0.2002 CCCCCCCCOCC(=O)CCCC 1458a_100000759886_100000210211 [2,0,0,0,0,0|1,0,0]=3 3947 B15R0.2002 CCCCCCCCOCC(=O)CCCF 1458a_100000759886_100011934791 [2,0,0,0,0,0|2,0,0]=4 3948 B15R0.2002 CCCCCCCCOCC(=O)CCCO 1458a_100000759886_100011215043 [2,0,0,0,0,0|2,0,0]=4 3949 B15R0.2002 CCCCCCCCOCC(=O)CCOC 1458a_100000759886_100000233755 [2,0,0,0,0,0|2,0,0]=4 3950 B15R0.2002 CCCCCCCCOCC(=O)CCSC 1458a_100000759886_100000751147 [2,0,0,0,0,0|2,0,0]=4 3951 B15R0.2002 CCCCCCCCOCC(=O)NCCC 11a_100020643023_100000759886 [2,0,0,0,0,0|2,0,0]=4 3952 B15R0.2002 CCCCCCCCOCC(=O)NCCC 1626a_100020643023_100000759886 [2,0,0,0,0,0|2,0,0]=4 3953 B15R0.2002 CCCCCCCCOCC(=O)NCCC 240690a_100020643023_100000759886 [2,0,0,0,0,0|2,0,0]=4 3954 B15R0.2002 CCCCCCCCOCC(=O)NCCC 34a_100000210232_100000183358 [2,0,0,0,0,0|2,0,0]=4 3955 B15R0.2002 CCCCCCCCOCC(=O)NCCC 527a_100020643023_100000759886 [2,0,0,0,0,0|2,0,0]=4 3956 B15R0.2002 CCCCCCCCOCC(=O)NCCC 7a_100000210232_100000183358 [2,0,0,0,0,0|2,0,0]=4 3957 B15R0.2002 CCCCCCCCOCC(=O)OCCC 34a_100000210232_200011215008 [2,0,0,0,0,0|1,0,0]=3 3958 B15R0.2002 CCCCCCCCOCC(=O)OCCC 7a_100000210232_200011215008 [2,0,0,0,0,0|1,0,0]=3 3959 B15R0.2002 CCCCCCCCSCC(=O)NCCC 62a_100000183358_100000210317 [2,0,0,0,0,0|2,0,0]=4 3960 B15R0.2002 CCCCCCCCSCC(=O)NCCC 62a_100000210759_100000183358 [2,0,0,0,0,0|2,0,0]=4 3961 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_100000210759_200011215008 [2,0,0,0,0,0|1,0,0]=3 3962 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210317 [2,0,0,0,0,0|1,0,0]=3 3963 B15R0.2002 CCCCCCCOCOC(=O)OCCC 34a_100000210272_200000139673 [2,0,0,0,0,0|2,0,0]=4 3964 B15R0.2002 CCCCCCCOCOC(=O)OCCC 7a_100000210272_200000139673 [2,0,0,0,0,0|2,0,0]=4 3965 B15R0.2002 CCCCCCCSCOC(=O)OCCC 62a_100000210614_200000139673 [2,0,0,0,0,0|2,0,0]=4 3966 B15R0.2002 CCCCCCNCCCC(=O)NCCC 2230a_100000210581_100011194427 [2,0,0,0,0,0|2,0,0]=4 3967 B15R0.2002 CCCCCCOCCCC(=O)NCCC 7a_100000210259_100011194427 [2,0,0,0,0,0|2,0,0]=4 3968 B15R0.2002 CCCCCCSCCCC(=O)NCCC 62a_100000210314_100011194427 [2,0,0,0,0,0|2,0,0]=4 3969 B15R0.2002 CCCCCCSCCCC(=O)NCCC 62a_100011194427_100000210757 [2,0,0,0,0,0|2,0,0]=4 3970 B15R0.2002 CCCCCNCCOCC(=O)OCCC 34a_100000224656_200011215008 [2,0,0,0,0,0|2,0,0]=4 3971 B15R0.2002 CCCCCOCCOCC(=O)OCCC 34a_100011215259_200011215008 [2,0,0,0,0,0|2,0,0]=4 3972 B15R0.2002 CCCCCOCCOCC(=O)OCCC 7a_100011215259_200011215008 [2,0,0,0,0,0|2,0,0]=4 3973 B15R0.2002 CCCCOCCCNCC(=O)OCCC 2230a_200000211371_200011215008 [2,0,0,0,0,0|2,0,0]=4 3974 B15R0.2002 CCCCOCCCNCC(=O)OCCC 34a_200000211371_200011215008 [2,0,0,0,0,0|2,0,0]=4 3975 B15R0.2002 CCCCOCCCOCC(=O)OCCC 34a_200011215613_200011215008 [2,0,0,0,0,0|2,0,0]=4 3976 B15R0.2002 CCCCOCCCOCC(=O)OCCC 7a_200011215613_200011215008 [2,0,0,0,0,0|2,0,0]=4 3977 B15R0.2002 CCCNC(=O)CCCCCCCCCF 11a_100020643023_200009909015 [2,0,0,0,0,0|2,0,0]=4 3978 B15R0.2002 CCCNC(=O)CCCCCCCCCF 240690a_100020643023_200009909015 [2,0,0,0,0,0|2,0,0]=4 3979 B15R0.2002 CCCNC(=O)CCCCCCCCCF 527a_100020643023_200009909015 [2,0,0,0,0,0|2,0,0]=4 3980 B15R0.2002 CCCNC(=O)CCCCCCCCCO 240690a_100020643023_100000032657 [2,0,0,0,0,0|2,0,0]=4 3981 B15R0.2002 CCCOC(=O)CNCCCCCCCO 2230a_100011996573_200011215008 [2,0,0,0,0,0|2,0,0]=4 3982 B15R0.2002 CCCOC(=O)CNCCCCCCCO 34a_100011996573_200011215008 [2,0,0,0,0,0|2,0,0]=4 3983 B15R0.2002 CCCOC(=O)COCCCCCCCBr 34a_100000760002_200011215008 [2,0,0,0,0,0|2,0,0]=4 3984 B15R0.2002 CCCOC(=O)COCCCCCCCBr 7a_100000760002_200011215008 [2,0,0,0,0,0|2,0,0]=4 3985 B15R0.2002 CCCOC(=O)COCCCCCCCN 34a_100011996573_200011215008 [2,0,0,0,0,0|2,0,0]=4 3986 B15R0.2002 CCCOC(=O)COCCCCCCOC 34a_200012092642_200011215008 [2,0,0,0,0,0|2,0,0]=4 3987 B15R0.2002 CCCOC(=O)COCCCCCCOC 7a_200012092642_200011215008 [2,0,0,0,0,0|2,0,0]=4 3988 B15R0.2002 CCCOC(=O)CSCCCCCCCO 62a_100000760002_200011215008 [2,0,0,0,0,0|2,0,0]=4 3989 B15R0.2002 CCCOC(=O)CSCCCCCCCO 62a_200011215008_100000760002 [2,0,0,0,0,0|2,0,0]=4 3990 B15R0.2002 CCCOC(=O)CSCCCCCCOC 62a_100011998445_200011215008 [2,0,0,0,0,0|2,0,0]=4 3991 B15R0.2002 CCCOC(=O)CSCCCCCCOC 62a_200011215008_100011998445 [2,0,0,0,0,0|2,0,0]=4 3992 B15R0.2002 CCOCC(=O)CCCCCCCCCO 1458a_100000211967_100009813782 [2,0,0,0,0,0|2,0,0]=4 3993 B15R0.2002 CCSCC(=O)CCCCCCCCCO 1458a_100000230394_100009813782 [2,0,0,0,0,0|2,0,0]=4 3994 B15R0.2002 COCCC(=O)CCCCCCCCCF 1458a_200009909015_100000233755 [2,0,0,0,0,0|2,0,0]=4 3995 B15R0.2002 COCCC(=O)CCCCCCCCCO 1458a_100000749529_100009813782 [2,0,0,0,0,0|2,0,0]=4 3996 B15R0.2002 CSCCC(=O)CCCCCCCCCF 1458a_200009909015_100000751147 [2,0,0,0,0,0|2,0,0]=4 3997 B15R0.2002 CSCCC(=O)CCCCCCCCCO 1458a_100000174002_100009813782 [2,0,0,0,0,0|2,0,0]=4 3998 B15R0.2002 O=C(CCCF)CCCCCCCCCF 1458a_200009909015_100011934791 [2,0,0,0,0,0|2,0,0]=4 3999 B15R0.2002 O=C(CCCO)CCCCCCCCCF 1458a_200009909015_100011215043 [2,0,0,0,0,0|2,0,0]=4 4000 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000184674 [2,0,0,0,0,0|0,0,2]=4 4001 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100011220946_100011215454 [2,0,0,0,0,0|0,0,2]=4 4002 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210193_100011215454 [2,0,0,0,0,0|0,0,2]=4 4003 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000210623 [2,0,0,0,0,0|0,0,2]=4 4004 B15R0.366 C=CCCCCCCCCCC(=O)CCC 1458a_100000211992_100009814027 [2,0,0,0,0,0|0,0,2]=4 4005 B15R0.366 CC#CC(=O)CCCCCCCCCCC 1458a_100000763181_100011215454 [2,0,0,0,0,0|0,0,2]=4 4006 B15R0.366 CC=CC(=O)CCCCCCCCCCC 1458a_100000210699_100011215454 [2,0,0,0,0,0|0,0,2]=4 4007 B15R0.366 CCCC(=O)CCCCCCCCCCO 1458a_100000211992_100009813290 [2,0,0,0,0,0|1,0,0]=3 4008 B15R0.366 CCCC(=O)CNCCCCCCCCO 2230a_102515433106_100000747444 [2,0,0,0,0,0|2,0,0]=4 4009 B15R0.366 CCCC(=O)COCCCCCCCCBr 7a_100009813846_100000747444 [2,0,0,0,0,0|2,0,0]=4 4010 B15R0.366 CCCC(=O)COCCCCCCCCCl 7a_100000033203_100000747444 [2,0,0,0,0,0|2,0,0]=4 4011 B15R0.366 CCCC(=O)CSCCCCCCCCO 62a_100000033203_100000747444 [2,0,0,0,0,0|2,0,0]=4 4012 B15R0.366 CCCC(=O)CSCCCCCCCCO 62a_100000747444_100000033203 [2,0,0,0,0,0|2,0,0]=4 4013 B15R0.366 CCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000211992 [2,0,0,0,0,0|2,0,0]=4 4014 B15R0.366 CCCCCCCCCC=CC(=O)CCC 1458a_200015352897_100000210303 [2,0,0,0,0,0|0,0,2]=4 4015 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100000210736_100011214920 [2,0,0,0,0,0|1,0,1]=4 4016 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100011215454 [2,0,0,0,0,0|1,0,1]=4 4017 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000210736_100000210303 [2,0,0,0,0,0|0,0,0]=2 4018 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011215454 [2,0,0,0,0,0|0,0,0]=2 4019 B15R0.366 CCCCCCCCCCCC(=O)CCF 1458a_100000210736_100011217306 [2,0,0,0,0,0|1,0,0]=3 4020 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100000210736_100000211926 [2,0,0,0,0,0|1,0,0]=3 4021 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011215454 [2,0,0,0,0,0|1,0,0]=3 4022 B15R0.366 CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011215454 [2,0,0,0,0,0|1,0,0]=3 4023 B15R0.366 CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011215454 [2,0,0,0,0,0|1,0,0]=3 4024 B15R0.366 CCCCCCCCCCCC(=O)NCC 11a_100015525214_100000210736 [2,0,0,0,0,0|1,0,0]=3 4025 B15R0.366 CCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210736 [2,0,0,0,0,0|1,0,0]=3 4026 B15R0.366 CCCCCCCCCCCC(=O)NNC 22a_100016993582_100000210736 [2,0,0,0,0,0|2,0,0]=4 4027 B15R0.366 CCCCCCCCCCCC(C)OCC 34a_100011217895_100000210202 [2,0,0,0,0,0|1,0,1]=4 4028 B15R0.366 CCCCCCCCCCCC(C)OCC 7a_100011217895_100000210202 [2,0,0,0,0,0|1,0,1]=4 4029 B15R0.366 CCCCCCCCCCCN(C)CCC 2230a_100000747261_100011215454 [2,0,0,0,0,0|2,0,0]=4 4030 B15R0.366 CCCCCCCCCCCN(C)CCC 269982a_100000747261_100011215454 [2,0,0,0,0,0|2,0,0]=4 4031 B15R0.366 CCCCCCCCCCNC(=O)CCC 11a_100000684558_100000211992 [2,0,0,0,0,0|1,0,0]=3 4032 B15R0.366 CCCCCCCCCCNC(=O)CCC 1626a_100000684558_100000211992 [2,0,0,0,0,0|1,0,0]=3 4033 B15R0.366 CCCCCCCCCCNC(=O)CCC 240690a_100000684558_100000211992 [2,0,0,0,0,0|1,0,0]=3 4034 B15R0.366 CCCCCCCCCCNC(=O)CCC 527a_100000684558_100000211992 [2,0,0,0,0,0|1,0,0]=3 4035 B15R0.366 CCCCCCCCCCNC(=O)CCO 240690a_100000684558_100011216618 [2,0,0,0,0,0|2,0,0]=4 4036 B15R0.366 CCCCCCCCCCNC(=O)COC 11a_100000684558_100000210968 [2,0,0,0,0,0|2,0,0]=4 4037 B15R0.366 CCCCCCCCCCNC(=O)COC 1626a_100000684558_100000210968 [2,0,0,0,0,0|2,0,0]=4 4038 B15R0.366 CCCCCCCCCCNC(=O)COC 240690a_100000684558_100000210968 [2,0,0,0,0,0|2,0,0]=4 4039 B15R0.366 CCCCCCCCCCNC(=O)COC 527a_100000684558_100000210968 [2,0,0,0,0,0|2,0,0]=4 4040 B15R0.366 CCCCCCCCCCNC(=O)CSC 11a_100000684558_100000184570 [2,0,0,0,0,0|2,0,0]=4 4041 B15R0.366 CCCCCCCCCCNC(=O)CSC 1626a_100000684558_100000184570 [2,0,0,0,0,0|2,0,0]=4 4042 B15R0.366 CCCCCCCCCCNC(=O)CSC 240690a_100000684558_100000184570 [2,0,0,0,0,0|2,0,0]=4 4043 B15R0.366 CCCCCCCCCCNC(=O)CSC 527a_100000684558_100000184570 [2,0,0,0,0,0|2,0,0]=4 4044 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100000684558_100015525214 [2,0,0,0,0,0|2,0,0]=4 4045 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000684558 [2,0,0,0,0,0|2,0,0]=4 4046 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100000684558_100015525214 [2,0,0,0,0,0|2,0,0]=4 4047 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000684558 [2,0,0,0,0,0|2,0,0]=4 4048 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100000684558_100015525214 [2,0,0,0,0,0|2,0,0]=4 4049 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100015525214_100000684558 [2,0,0,0,0,0|2,0,0]=4 4050 B15R0.366 CCCCCCCCCCOC(=O)CNC 2230a_106832991635_100000210668 [2,0,0,0,0,0|2,0,0]=4 4051 B15R0.366 CCCCCCCCCCOC(=O)CNC 34a_100102657272_100000210668 [2,0,0,0,0,0|2,0,0]=4 4052 B15R0.366 CCCCCCCCCCOC(=O)CNC 7a_106832991635_100000210668 [2,0,0,0,0,0|2,0,0]=4 4053 B15R0.366 CCCCCCCCCCOC(=O)COC 34a_100138415774_100000210668 [2,0,0,0,0,0|2,0,0]=4 4054 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_100000680656_200000210301 [2,0,0,0,0,0|2,0,0]=4 4055 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_200000210301_100000680656 [2,0,0,0,0,0|2,0,0]=4 4056 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_100000680656_200025704644 [2,0,0,0,0,0|2,0,0]=4 4057 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_200025704644_100000680656 [2,0,0,0,0,0|2,0,0]=4 4058 B15R0.366 CCCCCCCCCNCC(=O)CCC 2230a_100000212291_100000747444 [2,0,0,0,0,0|1,0,0]=3 4059 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100000212291_100000183381 [2,0,0,0,0,0|2,0,0]=4 4060 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011214924 [2,0,0,0,0,0|2,0,0]=4 4061 B15R0.366 CCCCCCCCCNCC(=O)NCC 34a_100000212291_100000183381 [2,0,0,0,0,0|2,0,0]=4 4062 B15R0.366 CCCCCCCCCNCC(=O)OCC 2230a_100000212291_100000188475 [2,0,0,0,0,0|1,0,0]=3 4063 B15R0.366 CCCCCCCCCNCC(=O)OCC 34a_100000212291_100000188475 [2,0,0,0,0,0|1,0,0]=3 4064 B15R0.366 CCCCCCCCCOCC(=O)CCC 7a_100000210712_100000747444 [2,0,0,0,0,0|1,0,0]=3 4065 B15R0.366 CCCCCCCCCOCC(=O)NCC 34a_100000210712_100000183381 [2,0,0,0,0,0|2,0,0]=4 4066 B15R0.366 CCCCCCCCCOCC(=O)NCC 7a_100000210712_100000183381 [2,0,0,0,0,0|2,0,0]=4 4067 B15R0.366 CCCCCCCCCOCC(=O)OCC 34a_100000210712_100000188475 [2,0,0,0,0,0|1,0,0]=3 4068 B15R0.366 CCCCCCCCCOCC(=O)OCC 7a_100000210712_100000188475 [2,0,0,0,0,0|1,0,0]=3 4069 B15R0.366 CCCCCCCCCSCC(=O)CCC 62a_100000747444_100000210670 [2,0,0,0,0,0|1,0,0]=3 4070 B15R0.366 CCCCCCCCCSCC(=O)NCC 62a_100000183381_100000210670 [2,0,0,0,0,0|2,0,0]=4 4071 B15R0.366 CCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210670 [2,0,0,0,0,0|1,0,0]=3 4072 B15R0.366 CCCCCCCCNCCC(=O)NCC 2230a_100000229939_100000737597 [2,0,0,0,0,0|2,0,0]=4 4073 B15R0.366 CCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210759 [2,0,0,0,0,0|2,0,0]=4 4074 B15R0.366 CCCCCCCCNCCC(=O)OCC 2230a_100000229939_100011206558 [2,0,0,0,0,0|1,0,0]=3 4075 B15R0.366 CCCCCCCCNCCC(=O)OCC 34a_100000229939_100000765890 [2,0,0,0,0,0|1,0,0]=3 4076 B15R0.366 CCCCCCCCNCOC(=O)CCC 2230a_100000229939_100000034017 [2,0,0,0,0,0|2,0,0]=4 4077 B15R0.366 CCCCCCCCNCOC(=O)CCC 34a_100000229939_100000034017 [2,0,0,0,0,0|2,0,0]=4 4078 B15R0.366 CCCCCCCCOCCC(=O)NCC 7a_100000210232_100000737597 [2,0,0,0,0,0|2,0,0]=4 4079 B15R0.366 CCCCCCCCOCCC(=O)OCC 34a_100000210232_100000765890 [2,0,0,0,0,0|1,0,0]=3 4080 B15R0.366 CCCCCCCCOCCC(=O)OCC 7a_100000210232_100011206558 [2,0,0,0,0,0|1,0,0]=3 4081 B15R0.366 CCCCCCCCOCOC(=O)CCC 34a_100000210232_100000034017 [2,0,0,0,0,0|2,0,0]=4 4082 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000210759_100000737597 [2,0,0,0,0,0|2,0,0]=4 4083 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210317 [2,0,0,0,0,0|2,0,0]=4 4084 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000210759_100000765890 [2,0,0,0,0,0|1,0,0]=3 4085 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210317 [2,0,0,0,0,0|1,0,0]=3 4086 B15R0.366 CCCCCCCCSCOC(=O)CCC 62a_100000210759_100000034017 [2,0,0,0,0,0|2,0,0]=4 4087 B15R0.366 CCCCCCCCSCOC(=O)OCC 62a_100000210759_100000075025 [2,0,0,0,0,0|2,0,0]=4 4088 B15R0.366 CCCCCCCNCCCC(=O)OCC 2230a_100000229938_100009991533 [2,0,0,0,0,0|1,0,0]=3 4089 B15R0.366 CCCCCCCOCCCC(=O)OCC 34a_100000210272_100009991533 [2,0,0,0,0,0|1,0,0]=3 4090 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100000210272_100011215271 [2,0,0,0,0,0|1,0,0]=3 4091 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210614 [2,0,0,0,0,0|1,0,0]=3 4092 B15R0.366 CCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210614 [2,0,0,0,0,0|2,0,0]=4 4093 B15R0.366 CCCCCCCOCCNC(=O)OCC 7a_100000210272_200011445536 [2,0,0,0,0,0|2,0,0]=4 4094 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100000210614_100009991533 [2,0,0,0,0,0|1,0,0]=3 4095 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210316 [2,0,0,0,0,0|1,0,0]=3 4096 B15R0.366 CCCCCCCSCCNC(=O)OCC 62a_100000210614_200011445536 [2,0,0,0,0,0|2,0,0]=4 4097 B15R0.366 CCCCCCNCCCCC(=O)OCC 2230a_100000210581_100000750268 [2,0,0,0,0,0|1,0,0]=3 4098 B15R0.366 CCCCCCNCCOCC(=O)OCC 2230a_100000210581_100000088970 [2,0,0,0,0,0|2,0,0]=4 4099 B15R0.366 CCCCCCOCCCCC(=O)OCC 34a_100000210259_100000750268 [2,0,0,0,0,0|1,0,0]=3 4100 B15R0.366 CCCCCCOCCCCC(=O)OCC 7a_100000210259_100000750268 [2,0,0,0,0,0|1,0,0]=3 4101 B15R0.366 CCCCCCOCCOCC(=O)CCC 7a_100000691444_100000747444 [2,0,0,0,0,0|2,0,0]=4 4102 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000210259_100000088970 [2,0,0,0,0,0|2,0,0]=4 4103 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000691444_100000188475 [2,0,0,0,0,0|2,0,0]=4 4104 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000210259_100000088970 [2,0,0,0,0,0|2,0,0]=4 4105 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000691444_100000188475 [2,0,0,0,0,0|2,0,0]=4 4106 B15R0.366 CCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210314 [2,0,0,0,0,0|2,0,0]=4 4107 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000210314_100000750268 [2,0,0,0,0,0|1,0,0]=3 4108 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210757 [2,0,0,0,0,0|1,0,0]=3 4109 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210757 [2,0,0,0,0,0|2,0,0]=4 4110 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000210314_100000088970 [2,0,0,0,0,0|2,0,0]=4 4111 B15R0.366 CCCCCNCCCCCC(=O)OCC 2230a_100000209983_100000755133 [2,0,0,0,0,0|1,0,0]=3 4112 B15R0.366 CCCCCNCCCOCC(=O)OCC 2230a_100000209983_100009893628 [2,0,0,0,0,0|2,0,0]=4 4113 B15R0.366 CCCCCNCCOCCC(=O)OCC 34a_100000224656_100000765890 [2,0,0,0,0,0|2,0,0]=4 4114 B15R0.366 CCCCCOCCCCCC(=O)OCC 34a_100000210253_100000755133 [2,0,0,0,0,0|1,0,0]=3 4115 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100000210253_100000755133 [2,0,0,0,0,0|1,0,0]=3 4116 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210326 [2,0,0,0,0,0|1,0,0]=3 4117 B15R0.366 CCCCCOCCCOCC(=O)OCC 34a_100000210253_100009893628 [2,0,0,0,0,0|2,0,0]=4 4118 B15R0.366 CCCCCOCCCOCC(=O)OCC 7a_100000210253_100009893628 [2,0,0,0,0,0|2,0,0]=4 4119 B15R0.366 CCCCCOCCOCCC(=O)OCC 34a_100011215259_100000765890 [2,0,0,0,0,0|2,0,0]=4 4120 B15R0.366 CCCCCOCCOCCC(=O)OCC 7a_100011215259_100011206558 [2,0,0,0,0,0|2,0,0]=4 4121 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000210326_100000755133 [2,0,0,0,0,0|1,0,0]=3 4122 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210326 [2,0,0,0,0,0|1,0,0]=3 4123 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100000210326_100009893628 [2,0,0,0,0,0|2,0,0]=4 4124 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210326 [2,0,0,0,0,0|2,0,0]=4 4125 B15R0.366 CCCCNCCCCCCC(=O)OCC 2230a_100000102301_100009814379 [2,0,0,0,0,0|1,0,0]=3 4126 B15R0.366 CCCCNCCCCCCC(=O)OCC 7a_106832991798_100009814379 [2,0,0,0,0,0|1,0,0]=3 4127 B15R0.366 CCCCNCCCCOCC(=O)OCC 34a_200011216965_100000188475 [2,0,0,0,0,0|2,0,0]=4 4128 B15R0.366 CCCCOCCCCCCC(=O)OCC 34a_100000210227_100009814379 [2,0,0,0,0,0|1,0,0]=3 4129 B15R0.366 CCCCOCCCCCCC(=O)OCC 7a_100000210227_100009814379 [2,0,0,0,0,0|1,0,0]=3 4130 B15R0.366 CCCCOCCCCOCC(=O)CCC 7a_200000760531_100000747444 [2,0,0,0,0,0|2,0,0]=4 4131 B15R0.366 CCCCOCCCCOCC(=O)OCC 34a_200000760531_100000188475 [2,0,0,0,0,0|2,0,0]=4 4132 B15R0.366 CCCCOCCCCOCC(=O)OCC 7a_200000760531_100000188475 [2,0,0,0,0,0|2,0,0]=4 4133 B15R0.366 CCCCOCCCNCCC(=O)OCC 2230a_200000211371_100011206558 [2,0,0,0,0,0|2,0,0]=4 4134 B15R0.366 CCCCOCCCNCCC(=O)OCC 34a_200000211371_100000765890 [2,0,0,0,0,0|2,0,0]=4 4135 B15R0.366 CCCCOCCCOCCC(=O)OCC 34a_200011215613_100000765890 [2,0,0,0,0,0|2,0,0]=4 4136 B15R0.366 CCCCOCCCOCCC(=O)OCC 7a_200011215613_100011206558 [2,0,0,0,0,0|2,0,0]=4 4137 B15R0.366 CCCCOCCOCCCC(=O)OCC 34a_100000210238_100009991533 [2,0,0,0,0,0|2,0,0]=4 4138 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100000210238_100011215271 [2,0,0,0,0,0|2,0,0]=4 4139 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100012001163_100000743108 [2,0,0,0,0,0|2,0,0]=4 4140 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100000743108_100009991533 [2,0,0,0,0,0|2,0,0]=4 4141 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100009991533_100000743108 [2,0,0,0,0,0|2,0,0]=4 4142 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100000750268_100011995733 [2,0,0,0,0,0|2,0,0]=4 4143 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100011995733_100000750268 [2,0,0,0,0,0|2,0,0]=4 4144 B15R0.366 CCCCSCCCCCCC(=O)OCC 62a_100000210211_100009814379 [2,0,0,0,0,0|1,0,0]=3 4145 B15R0.366 CCCCSCCNCCCC(=O)OCC 2230a_100025743550_100009991533 [2,0,0,0,0,0|2,0,0]=4 4146 B15R0.366 CCCCSCCOCCCC(=O)OCC 34a_200000230436_100009991533 [2,0,0,0,0,0|2,0,0]=4 4147 B15R0.366 CCCCSCCOCCCC(=O)OCC 7a_200000230436_100011215271 [2,0,0,0,0,0|2,0,0]=4 4148 B15R0.366 CCCOCCCCCCCC(=O)OCC 34a_100000210258_100009991516 [2,0,0,0,0,0|1,0,0]=3 4149 B15R0.366 CCCOCCCNCCCC(=O)OCC 2230a_100011217757_100009991533 [2,0,0,0,0,0|2,0,0]=4 4150 B15R0.366 CCCOCCCNCCCC(=O)OCC 34a_100011217757_100009991533 [2,0,0,0,0,0|2,0,0]=4 4151 B15R0.366 CCCOCCNCCCCC(=O)OCC 2230a_100161115042_100000750268 [2,0,0,0,0,0|2,0,0]=4 4152 B15R0.366 CCCOCCNCCCCC(=O)OCC 34a_100161115042_100000750268 [2,0,0,0,0,0|2,0,0]=4 4153 B15R0.366 CCCOCCOCCCCC(=O)OCC 34a_100000752267_100000750268 [2,0,0,0,0,0|2,0,0]=4 4154 B15R0.366 CCCOCCOCCCCC(=O)OCC 7a_100000752267_100000750268 [2,0,0,0,0,0|2,0,0]=4 4155 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100000750268_100011215938 [2,0,0,0,0,0|2,0,0]=4 4156 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100011215938_100000750268 [2,0,0,0,0,0|2,0,0]=4 4157 B15R0.366 CCCSCCCCCCCC(=O)OCC 62a_100000210303_100009991516 [2,0,0,0,0,0|1,0,0]=3 4158 B15R0.366 CCCSCCNCCCCC(=O)OCC 2230a_100020603323_100000750268 [2,0,0,0,0,0|2,0,0]=4 4159 B15R0.366 CCCSCCOCCCCC(=O)OCC 34a_200000230433_100000750268 [2,0,0,0,0,0|2,0,0]=4 4160 B15R0.366 CCCSCCOCCCCC(=O)OCC 7a_200000230433_100000750268 [2,0,0,0,0,0|2,0,0]=4 4161 B15R0.366 CCNC(=O)CCCCCCCCCCO 240690a_100015525214_200000016029 [2,0,0,0,0,0|2,0,0]=4 4162 B15R0.366 CCNCCCCCCCCC(=O)OCC 2230a_100015525214_100010175975 [2,0,0,0,0,0|1,0,0]=3 4163 B15R0.366 CCOC(=O)CCCCCCCCCNC 2230a_106832991635_100009828014 [2,0,0,0,0,0|1,0,0]=3 4164 B15R0.366 CCOC(=O)CCCCCCCCCNC 34a_100102657272_100009828014 [2,0,0,0,0,0|1,0,0]=3 4165 B15R0.366 CCOC(=O)CCCCCCCCCNC 7a_106832991635_100009828014 [2,0,0,0,0,0|1,0,0]=3 4166 B15R0.366 CCOC(=O)CCCCCCCCCOC 34a_100138415774_100009828014 [2,0,0,0,0,0|1,0,0]=3 4167 B15R0.366 CCOC(=O)CCCCCCCCCSC 62a_200000210301_100009828014 [2,0,0,0,0,0|1,0,0]=3 4168 B15R0.366 CCOC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009828014 [2,0,0,0,0,0|1,0,0]=3 4169 B15R0.366 CCOC(=O)CCCCCCCCSCC 62a_100000210202_100010175975 [2,0,0,0,0,0|1,0,0]=3 4170 B15R0.366 CCOC(=O)CCCCCCCCSCF 62a_100015361967_100010175975 [2,0,0,0,0,0|2,0,0]=4 4171 B15R0.366 CCOC(=O)CCCCCCCNCCF 34a_100000724931_100009991516 [2,0,0,0,0,0|2,0,0]=4 4172 B15R0.366 CCOC(=O)CCCCCCCNCCO 2230a_100016997473_100009991516 [2,0,0,0,0,0|2,0,0]=4 4173 B15R0.366 CCOC(=O)CCCCCCCNCCO 34a_100016990907_100009991516 [2,0,0,0,0,0|2,0,0]=4 4174 B15R0.366 CCOC(=O)CCCCCCCOCCBr 34a_100000211926_100009991516 [2,0,0,0,0,0|2,0,0]=4 4175 B15R0.366 CCOC(=O)CCCCCCCOCCN 34a_100000210304_100009991516 [2,0,0,0,0,0|2,0,0]=4 4176 B15R0.366 CCOC(=O)CCCCCCCSCCF 62a_100011217306_100009991516 [2,0,0,0,0,0|2,0,0]=4 4177 B15R0.366 CCOC(=O)CCCCCCCSCCO 62a_100000211926_100009991516 [2,0,0,0,0,0|2,0,0]=4 4178 B15R0.366 CCOC(=O)CCCCCCCSCOC 62a_100000766300_100009991516 [2,0,0,0,0,0|2,0,0]=4 4179 B15R0.366 CCOC(=O)CCCCCCCSCSC 62a_100011218213_100009991516 [2,0,0,0,0,0|2,0,0]=4 4180 B15R0.366 CCOC(=O)CCCCCCNCCCF 2230a_100015189416_100009814379 [2,0,0,0,0,0|2,0,0]=4 4181 B15R0.366 CCOC(=O)CCCCCCNCCCF 34a_100015189416_100009814379 [2,0,0,0,0,0|2,0,0]=4 4182 B15R0.366 CCOC(=O)CCCCCCNCCOC 2230a_100000209980_100009814379 [2,0,0,0,0,0|2,0,0]=4 4183 B15R0.366 CCOC(=O)CCCCCCNCCSC 2230a_100020590264_100009814379 [2,0,0,0,0,0|2,0,0]=4 4184 B15R0.366 CCOC(=O)CCCCCCOCCCBr 34a_100011217188_100009814379 [2,0,0,0,0,0|2,0,0]=4 4185 B15R0.366 CCOC(=O)CCCCCCOCCCCl 34a_100000230001_100009814379 [2,0,0,0,0,0|2,0,0]=4 4186 B15R0.366 CCOC(=O)CCCCCCOCCCF 34a_100000759539_100009814379 [2,0,0,0,0,0|2,0,0]=4 4187 B15R0.366 CCOC(=O)CCCCCCOCCCN 34a_100000182051_100009814379 [2,0,0,0,0,0|2,0,0]=4 4188 B15R0.366 CCOC(=O)CCCCCCOCCOC 34a_100000210237_100009814379 [2,0,0,0,0,0|2,0,0]=4 4189 B15R0.366 CCOC(=O)CCCCCCOCCSC 34a_100000230434_100009814379 [2,0,0,0,0,0|2,0,0]=4 4190 B15R0.366 CCOC(=O)CCCCCCOCCSC 7a_100000230434_100009814379 [2,0,0,0,0,0|2,0,0]=4 4191 B15R0.366 CCOC(=O)CCCCCCSCCCF 62a_100011934791_100009814379 [2,0,0,0,0,0|2,0,0]=4 4192 B15R0.366 CCOC(=O)CCCCCCSCCCO 62a_100011215043_100009814379 [2,0,0,0,0,0|2,0,0]=4 4193 B15R0.366 CCOC(=O)CCCCCCSCCOC 62a_100000233755_100009814379 [2,0,0,0,0,0|2,0,0]=4 4194 B15R0.366 CCOC(=O)CCCCCCSCCSC 62a_100000212216_100009814379 [2,0,0,0,0,0|2,0,0]=4 4195 B15R0.366 CCOC(=O)CCCCCNCCCCO 2230a_100000750430_100000755133 [2,0,0,0,0,0|2,0,0]=4 4196 B15R0.366 CCOC(=O)CCCCCNCCCCO 34a_100000750430_100000755133 [2,0,0,0,0,0|2,0,0]=4 4197 B15R0.366 CCOC(=O)CCCCCNCCCOC 34a_100150723488_100000755133 [2,0,0,0,0,0|2,0,0]=4 4198 B15R0.366 CCOC(=O)CCCCCNCCCSC 2230a_100000749238_100000755133 [2,0,0,0,0,0|2,0,0]=4 4199 B15R0.366 CCOC(=O)CCCCCNCCSCC 2230a_100000106463_100000755133 [2,0,0,0,0,0|2,0,0]=4 4200 B15R0.366 CCOC(=O)CCCCCOCCCCBr 34a_100011216708_100000755133 [2,0,0,0,0,0|2,0,0]=4 4201 B15R0.366 CCOC(=O)CCCCCOCCCCCl 34a_100000210776_100000755133 [2,0,0,0,0,0|2,0,0]=4 4202 B15R0.366 CCOC(=O)CCCCCOCCCCCl 7a_100000210776_100000755133 [2,0,0,0,0,0|2,0,0]=4 4203 B15R0.366 CCOC(=O)CCCCCOCCCCF 34a_100011995726_100000755133 [2,0,0,0,0,0|2,0,0]=4 4204 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011214988_100000729493 [2,0,0,0,0,0|2,0,0]=4 4205 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011995726_100000755133 [2,0,0,0,0,0|2,0,0]=4 4206 B15R0.366 CCOC(=O)CCCCCOCCCCI 34a_200012148704_100000755133 [2,0,0,0,0,0|2,0,0]=4 4207 B15R0.366 CCOC(=O)CCCCCOCCCCN 34a_100000750430_100000755133 [2,0,0,0,0,0|2,0,0]=4 4208 B15R0.366 CCOC(=O)CCCCCOCCCCO 7a_100011214988_100000210776 [2,0,0,0,0,0|2,0,0]=4 4209 B15R0.366 CCOC(=O)CCCCCOCCCNC 34a_100000213112_100000755133 [2,0,0,0,0,0|2,0,0]=4 4210 B15R0.366 CCOC(=O)CCCCCOCCCOC 34a_100000740835_100000755133 [2,0,0,0,0,0|2,0,0]=4 4211 B15R0.366 CCOC(=O)CCCCCOCCCOC 7a_100011214988_100000740836 [2,0,0,0,0,0|2,0,0]=4 4212 B15R0.366 CCOC(=O)CCCCCOCCCSC 34a_100000690336_100000755133 [2,0,0,0,0,0|2,0,0]=4 4213 B15R0.366 CCOC(=O)CCCCCOCCCSC 7a_100000690336_100000755133 [2,0,0,0,0,0|2,0,0]=4 4214 B15R0.366 CCOC(=O)CCCCCOCCSCC 34a_100000212035_100000755133 [2,0,0,0,0,0|2,0,0]=4 4215 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100000212035_100000755133 [2,0,0,0,0,0|2,0,0]=4 4216 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100011214988_100000757381 [2,0,0,0,0,0|2,0,0]=4 4217 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000729493_100000755133 [2,0,0,0,0,0|2,0,0]=4 4218 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000755133_100000729493 [2,0,0,0,0,0|2,0,0]=4 4219 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000210776_100000755133 [2,0,0,0,0,0|2,0,0]=4 4220 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000755133_100000210776 [2,0,0,0,0,0|2,0,0]=4 4221 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000709357_100000755133 [2,0,0,0,0,0|2,0,0]=4 4222 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000755133_100000709357 [2,0,0,0,0,0|2,0,0]=4 4223 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000755133_100000757381 [2,0,0,0,0,0|2,0,0]=4 4224 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000757381_100000755133 [2,0,0,0,0,0|2,0,0]=4 4225 B15R0.366 CCOC(=O)CCCCNCCCCCO 2230a_100000762737_100000750268 [2,0,0,0,0,0|2,0,0]=4 4226 B15R0.366 CCOC(=O)CCCCNCCCCCO 34a_100000762737_100000750268 [2,0,0,0,0,0|2,0,0]=4 4227 B15R0.366 CCOC(=O)CCCCOCCCCCBr 34a_100000746331_100000750268 [2,0,0,0,0,0|2,0,0]=4 4228 B15R0.366 CCOC(=O)CCCCOCCCCCBr 7a_100000746331_100000750268 [2,0,0,0,0,0|2,0,0]=4 4229 B15R0.366 CCOC(=O)CCCCOCCCCCCl 34a_100000746330_100000750268 [2,0,0,0,0,0|2,0,0]=4 4230 B15R0.366 CCOC(=O)CCCCOCCCCCCl 7a_100000746330_100000750268 [2,0,0,0,0,0|2,0,0]=4 4231 B15R0.366 CCOC(=O)CCCCOCCCCCI 34a_200012148887_100000750268 [2,0,0,0,0,0|2,0,0]=4 4232 B15R0.366 CCOC(=O)CCCCOCCCCCI 7a_200012148887_100000750268 [2,0,0,0,0,0|2,0,0]=4 4233 B15R0.366 CCOC(=O)CCCCOCCCCCN 34a_100000762737_100000750268 [2,0,0,0,0,0|2,0,0]=4 4234 B15R0.366 CCOC(=O)CCCCOCCCCOC 34a_100000740925_100000750268 [2,0,0,0,0,0|2,0,0]=4 4235 B15R0.366 CCOC(=O)CCCCOCCCCSC 34a_100011217163_100000750268 [2,0,0,0,0,0|2,0,0]=4 4236 B15R0.366 CCOC(=O)CCCCOCCCCSC 7a_100011217163_100000750268 [2,0,0,0,0,0|2,0,0]=4 4237 B15R0.366 CCOC(=O)CCCCOCCCSCC 34a_100011216438_100000750268 [2,0,0,0,0,0|2,0,0]=4 4238 B15R0.366 CCOC(=O)CCCCOCCCSCC 7a_100011216438_100000750268 [2,0,0,0,0,0|2,0,0]=4 4239 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000729378_100000750268 [2,0,0,0,0,0|2,0,0]=4 4240 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000750268_100000729378 [2,0,0,0,0,0|2,0,0]=4 4241 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000746330_100000750268 [2,0,0,0,0,0|2,0,0]=4 4242 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000750268_100000746330 [2,0,0,0,0,0|2,0,0]=4 4243 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000730899_100000750268 [2,0,0,0,0,0|2,0,0]=4 4244 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000750268_100000730899 [2,0,0,0,0,0|2,0,0]=4 4245 B15R0.366 CCOC(=O)CCCNCCCCCCO 2230a_100000686447_100009991533 [2,0,0,0,0,0|2,0,0]=4 4246 B15R0.366 CCOC(=O)CCCNCCCCCCO 34a_100000686447_100009991533 [2,0,0,0,0,0|2,0,0]=4 4247 B15R0.366 CCOC(=O)CCCNCCCCCOC 2230a_100000747528_100009991533 [2,0,0,0,0,0|2,0,0]=4 4248 B15R0.366 CCOC(=O)CCCNCCCCCOC 34a_100000747528_100009991533 [2,0,0,0,0,0|2,0,0]=4 4249 B15R0.366 CCOC(=O)CCCOCCCCCCBr 34a_100011215345_100009991533 [2,0,0,0,0,0|2,0,0]=4 4250 B15R0.366 CCOC(=O)CCCOCCCCCCBr 7a_100011215345_100011215271 [2,0,0,0,0,0|2,0,0]=4 4251 B15R0.366 CCOC(=O)CCCOCCCCCCCl 34a_100000766143_100009991533 [2,0,0,0,0,0|2,0,0]=4 4252 B15R0.366 CCOC(=O)CCCOCCCCCCCl 7a_100000766143_100011215271 [2,0,0,0,0,0|2,0,0]=4 4253 B15R0.366 CCOC(=O)CCCOCCCCCCF 34a_100000732779_100009991533 [2,0,0,0,0,0|2,0,0]=4 4254 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100000732779_100011215271 [2,0,0,0,0,0|2,0,0]=4 4255 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100012001163_100015922095 [2,0,0,0,0,0|2,0,0]=4 4256 B15R0.366 CCOC(=O)CCCOCCCCCCN 34a_100000686447_100009991533 [2,0,0,0,0,0|2,0,0]=4 4257 B15R0.366 CCOC(=O)CCCOCCCCCCO 7a_100012001163_100000766143 [2,0,0,0,0,0|2,0,0]=4 4258 B15R0.366 CCOC(=O)CCCOCCCCCNC 34a_100000722520_100009991533 [2,0,0,0,0,0|2,0,0]=4 4259 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100009991533_100015922095 [2,0,0,0,0,0|2,0,0]=4 4260 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100015922095_100009991533 [2,0,0,0,0,0|2,0,0]=4 4261 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100000766143_100009991533 [2,0,0,0,0,0|2,0,0]=4 4262 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100009991533_100000766143 [2,0,0,0,0,0|2,0,0]=4 4263 B15R0.366 CCOC(=O)CCNCCCCCCCO 2230a_100011996573_100011206558 [2,0,0,0,0,0|2,0,0]=4 4264 B15R0.366 CCOC(=O)CCNCCCCCCCO 34a_100011996573_100000765890 [2,0,0,0,0,0|2,0,0]=4 4265 B15R0.366 CCOC(=O)CCOCCCCCCCBr 34a_100000760002_100000765890 [2,0,0,0,0,0|2,0,0]=4 4266 B15R0.366 CCOC(=O)CCOCCCCCCCBr 7a_100000760002_100011206558 [2,0,0,0,0,0|2,0,0]=4 4267 B15R0.366 CCOC(=O)CCOCCCCCCCN 34a_100011996573_100000765890 [2,0,0,0,0,0|2,0,0]=4 4268 B15R0.366 CCOC(=O)CCOCCCCCCOC 34a_200012092642_100000765890 [2,0,0,0,0,0|2,0,0]=4 4269 B15R0.366 CCOC(=O)CCOCCCCCCOC 7a_200012092642_100011206558 [2,0,0,0,0,0|2,0,0]=4 4270 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000760002_100000765890 [2,0,0,0,0,0|2,0,0]=4 4271 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000765890_100000760002 [2,0,0,0,0,0|2,0,0]=4 4272 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100000765890_100011998445 [2,0,0,0,0,0|2,0,0]=4 4273 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100011998445_100000765890 [2,0,0,0,0,0|2,0,0]=4 4274 B15R0.366 CCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000188475 [2,0,0,0,0,0|2,0,0]=4 4275 B15R0.366 CCOC(=O)CNCCCCCCCCO 34a_102515433106_100000188475 [2,0,0,0,0,0|2,0,0]=4 4276 B15R0.366 CCOC(=O)COCCCCCCCCBr 34a_100009813846_100000188475 [2,0,0,0,0,0|2,0,0]=4 4277 B15R0.366 CCOC(=O)COCCCCCCCCBr 7a_100009813846_100000188475 [2,0,0,0,0,0|2,0,0]=4 4278 B15R0.366 CCOC(=O)COCCCCCCCCCl 34a_100000033203_100000188475 [2,0,0,0,0,0|2,0,0]=4 4279 B15R0.366 CCOC(=O)COCCCCCCCCCl 7a_100000033203_100000188475 [2,0,0,0,0,0|2,0,0]=4 4280 B15R0.366 CCOC(=O)COCCCCCCCCN 34a_102515433106_100000188475 [2,0,0,0,0,0|2,0,0]=4 4281 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000033203_100000188475 [2,0,0,0,0,0|2,0,0]=4 4282 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000188475_100000033203 [2,0,0,0,0,0|2,0,0]=4 4283 B15R0.366 CCOCCCCCCCCC(=O)OCC 34a_100121572206_100010175975 [2,0,0,0,0,0|1,0,0]=3 4284 B15R0.366 CCOCCCNCCCCC(=O)OCC 2230a_100000210961_100000750268 [2,0,0,0,0,0|2,0,0]=4 4285 B15R0.366 CCOCCCNCCCCC(=O)OCC 34a_100000210961_100000750268 [2,0,0,0,0,0|2,0,0]=4 4286 B15R0.366 CCOCCCOCCCCC(=O)OCC 34a_100000757476_100000750268 [2,0,0,0,0,0|2,0,0]=4 4287 B15R0.366 CCOCCCOCCCCC(=O)OCC 7a_100000757476_100000750268 [2,0,0,0,0,0|2,0,0]=4 4288 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100000750268_100012232248 [2,0,0,0,0,0|2,0,0]=4 4289 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100012232248_100000750268 [2,0,0,0,0,0|2,0,0]=4 4290 B15R0.366 CCOCCNCCCCCC(=O)OCC 2230a_102516460346_100000755133 [2,0,0,0,0,0|2,0,0]=4 4291 B15R0.366 CCOCCNCCCCCC(=O)OCC 34a_102516460346_100000755133 [2,0,0,0,0,0|2,0,0]=4 4292 B15R0.366 CCOCCOCCCCCC(=O)OCC 34a_100000210136_100000755133 [2,0,0,0,0,0|2,0,0]=4 4293 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100000210136_100000755133 [2,0,0,0,0,0|2,0,0]=4 4294 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100011214988_100011215890 [2,0,0,0,0,0|2,0,0]=4 4295 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000210147_100000755133 [2,0,0,0,0,0|2,0,0]=4 4296 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000755133_100011215890 [2,0,0,0,0,0|2,0,0]=4 4297 B15R0.366 CCOCSCCCCCCC(=O)OCC 62a_100000739092_100009814379 [2,0,0,0,0,0|2,0,0]=4 4298 B15R0.366 COCC(=O)CCCCCCCCCCO 1458a_100000210968_100009813290 [2,0,0,0,0,0|2,0,0]=4 4299 B15R0.366 CSCC(=O)CCCCCCCCCCO 1458a_100000184570_100009813290 [2,0,0,0,0,0|2,0,0]=4 4300 B15R0.366 O=C(CCO)CCCCCCCCCCO 1458a_100011216618_100009813290 [2,0,0,0,0,0|2,0,0]=4 4301 B17R0.38 CC(C)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011214892 [1,1,0,0,0,0|2,0,0]=4 4302 B17R0.38 CC(C)CCCC(=O)CCCCCCCCCO 1458a_100011216857_100009813782 [1,1,0,0,0,0|2,0,0]=4 4303 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCF 11a_100000210545_200009909015 [1,1,0,0,0,0|2,0,0]=4 4304 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCF 240690a_100000210545_200009909015 [1,1,0,0,0,0|2,0,0]=4 4305 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCF 527a_100000210545_200009909015 [1,1,0,0,0,0|2,0,0]=4 4306 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCO 240690a_100000210545_100000032657 [1,1,0,0,0,0|2,0,0]=4 4307 B17R0.38 CC(O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_200000718107 [1,1,0,0,0,0|2,0,0]=4 4308 B17R0.38 CC(O)CCNC(=O)CCCCCCCCCF 240690a_200000755665_200009909015 [1,1,0,0,0,0|2,0,0]=4 4309 B17R0.38 CC(O)CCNC(=O)CCCCCCCCCF 527a_200000755665_200009909015 [1,1,0,0,0,0|2,0,0]=4 4310 B17R0.38 CC(O)CCNC(=O)CCCCCCCCCO 240690a_200000755665_100000032657 [1,1,0,0,0,0|2,0,0]=4 4311 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210375_100011215641 [1,1,0,0,0,0|1,0,1]=4 4312 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)C 1458a_100000210375_100011214892 [1,1,0,0,0,0|1,0,0]=3 4313 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210319 [1,1,0,0,0,0|1,0,0]=3 4314 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210375_200000718107 [1,1,0,0,0,0|1,0,0]=3 4315 B17R0.38 CCCCCCCCCCC(=O)CCCN(C)C 1458a_100000210375_100000695564 [1,1,0,0,0,0|2,0,0]=4 4316 B17R0.38 CCCCCCCCCCC(=O)CCOC(C)C 1458a_100000210375_100000211751 [1,1,0,0,0,0|2,0,0]=4 4317 B17R0.38 CCCCCCCCCCC(=O)CCSC(C)C 1458a_100000210375_100000730970 [1,1,0,0,0,0|2,0,0]=4 4318 B17R0.38 CCCCCCCCCCC(=O)COCC(C)C 1458a_100011223364_100000210319 [1,1,0,0,0,0|2,0,0]=4 4319 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000210375 [1,1,0,0,0,0|1,0,0]=3 4320 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000210375 [1,1,0,0,0,0|1,0,0]=3 4321 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000210375 [1,1,0,0,0,0|1,0,0]=3 4322 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000210375 [1,1,0,0,0,0|1,0,0]=3 4323 B17R0.38 CCCCCCCCCCC(=O)NCCN(C)C 240690a_100000210585_100000210375 [1,1,0,0,0,0|2,0,0]=4 4324 B17R0.38 CCCCCCCCCCC(=O)NNCC(C)C 22a_100000696102_100000210375 [1,1,0,0,0,0|2,0,0]=4 4325 B17R0.38 CCCCCCCCCCC(=O)NNCC(C)O 22a_200000730056_100000210375 [1,1,0,0,0,0|2,0,0]=4 4326 B17R0.38 CCCCCCCCCCC(C)OCCC(C)C 34a_100011215000_100000210312 [1,1,0,0,0,0|1,0,1]=4 4327 B17R0.38 CCCCCCCCCCC(C)OCCC(C)C 7a_100011215000_100000210626 [1,1,0,0,0,0|1,0,1]=4 4328 B17R0.38 CCCCCCCCCCC(C)OCCC(C)O 34a_100011215000_100012276601 [1,1,0,0,0,0|1,0,1]=4 4329 B17R0.38 CCCCCCCCCCC(C)OCCC(C)O 7a_100011215000_100012276601 [1,1,0,0,0,0|1,0,1]=4 4330 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C 11a_100000212291_100011216857 [1,1,0,0,0,0|2,0,0]=4 4331 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C 1626a_100000212291_100011216857 [1,1,0,0,0,0|2,0,0]=4 4332 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C 240690a_100000212291_100011216857 [1,1,0,0,0,0|2,0,0]=4 4333 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C 527a_100000212291_100011216857 [1,1,0,0,0,0|2,0,0]=4 4334 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)O 1626a_100000212291_100000761597 [1,1,0,0,0,0|2,0,0]=4 4335 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)O 527a_100000212291_100000761597 [1,1,0,0,0,0|2,0,0]=4 4336 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 2708a_100000210545_100000212291 [1,1,0,0,0,0|2,0,0]=4 4337 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 2708a_100000212291_100000210545 [1,1,0,0,0,0|2,0,0]=4 4338 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 273464a_100000210545_100000212291 [1,1,0,0,0,0|2,0,0]=4 4339 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 273464a_100000212291_100000210545 [1,1,0,0,0,0|2,0,0]=4 4340 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 512a_100000210545_100000212291 [1,1,0,0,0,0|2,0,0]=4 4341 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 512a_100000212291_100000210545 [1,1,0,0,0,0|2,0,0]=4 4342 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)O 2708a_100000212291_200000755665 [1,1,0,0,0,0|2,0,0]=4 4343 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)O 273464a_200000755665_100000212291 [1,1,0,0,0,0|2,0,0]=4 4344 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)O 512a_100000212291_200000755665 [1,1,0,0,0,0|2,0,0]=4 4345 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)O 512a_200000755665_100000212291 [1,1,0,0,0,0|2,0,0]=4 4346 B17R0.38 CCCCCCCCOCC(=O)CCCC(C)C 1458a_100000759886_100011214892 [1,1,0,0,0,0|2,0,0]=4 4347 B17R0.38 CCCCCCCCOCC(=O)CCCC(C)O 1458a_100000759886_200000718107 [1,1,0,0,0,0|2,0,0]=4 4348 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)C 11a_100000210545_100000759886 [1,1,0,0,0,0|2,0,0]=4 4349 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)C 1626a_100000210545_100000759886 [1,1,0,0,0,0|2,0,0]=4 4350 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)C 240690a_100000210545_100000759886 [1,1,0,0,0,0|2,0,0]=4 4351 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)C 527a_100000210545_100000759886 [1,1,0,0,0,0|2,0,0]=4 4352 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)O 240690a_200000755665_100000759886 [1,1,0,0,0,0|2,0,0]=4 4353 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)O 527a_200000755665_100000759886 [1,1,0,0,0,0|2,0,0]=4 4354 B17R0.179 CCCCCC(=O)CNCCCCCCC(C)C 2230a_100000211014_200012276598 [1,1,0,0,0,0|2,0,0]=4 4355 B17R0.179 CCCCCC(=O)CNCCCCCCC(C)C 34a_100000211014_200012276598 [1,1,0,0,0,0|2,0,0]=4 4356 B17R0.179 CCCCNC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000182744 [1,1,0,0,0,0|2,0,0]=4 4357 B17R0.179 CCCCNC(=O)CNCCCCCCC(C)C 34a_100000211014_100000182744 [1,1,0,0,0,0|2,0,0]=4 4358 B17R0.179 CCCCOC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000211628 [1,1,0,0,0,0|1,0,0]=3 4359 B17R0.179 CCCCOC(=O)CNCCCCCCC(C)C 34a_100000211014_100000211628 [1,1,0,0,0,0|1,0,0]=3 4360 B17R0.179 CCCCOC(=O)COCCCCCNC(C)C 34a_100011629493_100000211628 [1,1,0,0,0,0|2,0,0]=4 4361 B17R0.179 COCCOC(=O)CNCCCCCCC(C)C 2230a_100000211014_200000040189 [1,1,0,0,0,0|2,0,0]=4 4362 B17R0.179 COCCOC(=O)CNCCCCCCC(C)C 34a_100000211014_200000040189 [1,1,0,0,0,0|2,0,0]=4 4363 B17R0.231 C=C(CCC)CC(=O)CCCCCCCCCC 1458a_100000138376_100000210319 [1,1,0,0,0,0|1,0,1]=4 4364 B17R0.231 CCCC(C)CC(=O)CCCCCCCCCF 1458a_200009909015_100011216630 [1,1,0,0,0,0|2,0,0]=4 4365 B17R0.231 CCCC(C)CC(=O)CCCCCCCCCO 1458a_100000748435_100009813782 [1,1,0,0,0,0|2,0,0]=4 4366 B17R0.231 CCCC(C)NC(=O)CCCCCCCCCF 11a_100000741246_200009909015 [1,1,0,0,0,0|2,0,0]=4 4367 B17R0.231 CCCC(C)NC(=O)CCCCCCCCCF 240690a_100000741246_200009909015 [1,1,0,0,0,0|2,0,0]=4 4368 B17R0.231 CCCC(C)NC(=O)CCCCCCCCCF 527a_100000741246_200009909015 [1,1,0,0,0,0|2,0,0]=4 4369 B17R0.231 CCCC(C)NC(=O)CCCCCCCCCO 240690a_100000741246_100000032657 [1,1,0,0,0,0|2,0,0]=4 4370 B17R0.231 CCCCCCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210319 [1,1,0,0,0,0|1,0,1]=4 4371 B17R0.231 CCCCCCCCCCC(=O)CC(=O)CCC 1458a_100000210375_100000747444 [1,1,0,0,0,0|1,0,1]=4 4372 B17R0.231 CCCCCCCCCCC(=O)CC(C)CCC 1458a_100000210375_100011216630 [1,1,0,0,0,0|1,0,0]=3 4373 B17R0.231 CCCCCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210319 [1,1,0,0,0,0|1,0,0]=3 4374 B17R0.231 CCCCCCCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210319 [1,1,0,0,0,0|2,0,0]=4 4375 B17R0.231 CCCCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210319 [1,1,0,0,0,0|2,0,0]=4 4376 B17R0.231 CCCCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100000210375 [1,1,0,0,0,0|1,0,0]=3 4377 B17R0.231 CCCCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100000210375 [1,1,0,0,0,0|1,0,0]=3 4378 B17R0.231 CCCCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100000210375 [1,1,0,0,0,0|1,0,0]=3 4379 B17R0.231 CCCCCCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210375 [1,1,0,0,0,0|2,0,0]=4 4380 B17R0.231 CCCCCCCCCCC(=O)N[C@H](C)COC 11a_100000764878_100000210375 [1,1,0,0,0,0|2,0,0]=4 4381 B17R0.231 CCCCCCCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000210375 [1,1,0,0,0,0|2,0,0]=4 4382 B17R0.231 CCCCCCCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000210375 [1,1,0,0,0,0|2,0,0]=4 4383 B17R0.231 CCCCCCCCCNC(=O)CC(C)CCC 11a_100000212291_100000748435 [1,1,0,0,0,0|2,0,0]=4 4384 B17R0.231 CCCCCCCCCNC(=O)CC(C)CCC 1626a_100000212291_100000748435 [1,1,0,0,0,0|2,0,0]=4 4385 B17R0.231 CCCCCCCCCNC(=O)CC(C)CCC 240690a_100000212291_100000748435 [1,1,0,0,0,0|2,0,0]=4 4386 B17R0.231 CCCCCCCCCNC(=O)CC(C)CCC 527a_100000212291_100000748435 [1,1,0,0,0,0|2,0,0]=4 4387 B17R0.231 CCCCCCCCCNC(=O)NC(C)CCC 2708a_100000212291_100000741246 [1,1,0,0,0,0|2,0,0]=4 4388 B17R0.231 CCCCCCCCCNC(=O)NC(C)CCC 2708a_100000741246_100000212291 [1,1,0,0,0,0|2,0,0]=4 4389 B17R0.231 CCCCCCCCCNC(=O)NC(C)CCC 273464a_100000741246_100000212291 [1,1,0,0,0,0|2,0,0]=4 4390 B17R0.231 CCCCCCCCCNC(=O)NC(C)CCC 512a_100000212291_100000741246 [1,1,0,0,0,0|2,0,0]=4 4391 B17R0.231 CCCCCCCCCNC(=O)NC(C)CCC 512a_100000741246_100000212291 [1,1,0,0,0,0|2,0,0]=4 4392 B17R0.231 CCCCCCCCOCC(=O)CC(C)CCC 1458a_100000759886_100011216630 [1,1,0,0,0,0|2,0,0]=4 4393 B17R0.231 CCCCCCCCOCC(=O)NC(C)CCC 11a_100000741246_100000759886 [1,1,0,0,0,0|2,0,0]=4 4394 B17R0.231 CCCCCCCCOCC(=O)NC(C)CCC 1626a_100000741246_100000759886 [1,1,0,0,0,0|2,0,0]=4 4395 B17R0.231 CCCCCCCCOCC(=O)NC(C)CCC 240690a_100000741246_100000759886 [1,1,0,0,0,0|2,0,0]=4 4396 B17R0.231 CCCCCCCCOCC(=O)NC(C)CCC 527a_100000741246_100000759886 [1,1,0,0,0,0|2,0,0]=4 4397 B17R0.454 CCCCCCCCCN(C)C(=O)CCCCC 11a_100000232482_100000212188 [1,1,0,0,0,0|2,0,0]=4 4398 B17R0.454 CCCCCCCCCN(C)C(=O)CCCCC 1626a_100000232482_100000212188 [1,1,0,0,0,0|2,0,0]=4 4399 B17R0.454 CCCCCCCCCN(C)C(=O)CCCCC 240690a_100000232482_100000212188 [1,1,0,0,0,0|2,0,0]=4 4400 B17R0.454 CCCCCCCCCN(C)C(=O)CCCCC 527a_100000232482_100000212188 [1,1,0,0,0,0|2,0,0]=4 4401 B17R0.454 CCCCCCCCCN(C)C(=O)NCCCC 2708a_100000102301_100000232482 [1,1,0,0,0,0|2,0,0]=4 4402 B17R0.454 CCCCCCCCCN(C)C(=O)NCCCC 273464a_100000102301_100000232482 [1,1,0,0,0,0|2,0,0]=4 4403 B17R0.454 CCCCCCCCNC(C)C(=O)NCCCC 2230a_100000229939_100000735917 [1,1,0,0,0,0|2,0,0]=4 4404 B17R0.454 CCCCCCCCNC(C)C(=O)NCCCC 34a_100000229939_100000735917 [1,1,0,0,0,0|2,0,0]=4 4405 B17R0.454 CCCCCCCCNC(C)C(=O)OCCCC 2230a_100000229939_100000759602 [1,1,0,0,0,0|1,0,0]=3 4406 B17R0.454 CCCCCCCCNC(C)C(=O)OCCCC 34a_100000229939_100000759602 [1,1,0,0,0,0|1,0,0]=3 4407 B17R0.454 CCCCCCCCOC(C)C(=O)NCCCC 34a_100000210232_100000735917 [1,1,0,0,0,0|2,0,0]=4 4408 B17R0.454 CCCCCCCCOC(C)C(=O)NCCCC 7a_100000210232_100000735917 [1,1,0,0,0,0|2,0,0]=4 4409 B17R0.454 CCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100000210759 [1,1,0,0,0,0|1,0,0]=3 4410 B17R0.454 CCCCCCCCOC(C)C(=O)OCCCC 34a_100000210232_100000759602 [1,1,0,0,0,0|1,0,0]=3 4411 B17R0.454 CCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210759 [1,1,0,0,0,0|1,0,0]=3 4412 B17R0.454 CCCCCCCCOC(C)C(=O)OCCCC 7a_100000210232_100000759602 [1,1,0,0,0,0|1,0,0]=3 4413 B17R0.454 CCCCCCCCSC(C)C(=O)NCCCC 62a_100000210759_100000735917 [1,1,0,0,0,0|2,0,0]=4 4414 B17R0.454 CCCCCCCCSC(C)C(=O)NCCCC 62a_100000735917_100000210317 [1,1,0,0,0,0|2,0,0]=4 4415 B17R0.454 CCCCCCCCSC(C)C(=O)OCCCC 62a_100000210759_100000759602 [1,1,0,0,0,0|1,0,0]=3 4416 B17R0.454 CCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100000210317 [1,1,0,0,0,0|1,0,0]=3 4417 B17R0.454 CCCCCNCCOC(C)C(=O)OCCCC 34a_100000224656_100000759602 [1,1,0,0,0,0|2,0,0]=4 4418 B17R0.454 CCCCCOCCOC(C)C(=O)OCCCC 34a_100011215259_100000759602 [1,1,0,0,0,0|2,0,0]=4 4419 B17R0.454 CCCCCOCCOC(C)C(=O)OCCCC 7a_100011215259_100000759602 [1,1,0,0,0,0|2,0,0]=4 4420 B17R0.454 CCCCOC(=O)C(C)NCCCCCCCO 2230a_100011996573_100000759602 [1,1,0,0,0,0|2,0,0]=4 4421 B17R0.454 CCCCOC(=O)C(C)NCCCCCCCO 34a_100011996573_100000759602 [1,1,0,0,0,0|2,0,0]=4 4422 B17R0.454 CCCCOC(=O)C(C)OCCCCCCCBr 34a_100000760002_100000759602 [1,1,0,0,0,0|2,0,0]=4 4423 B17R0.454 CCCCOC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000759602 [1,1,0,0,0,0|2,0,0]=4 4424 B17R0.454 CCCCOC(=O)C(C)OCCCCCCCN 34a_100011996573_100000759602 [1,1,0,0,0,0|2,0,0]=4 4425 B17R0.454 CCCCOC(=O)C(C)OCCCCCCCO 34a_100000038973_100000760002 [1,1,0,0,0,0|2,0,0]=4 4426 B17R0.454 CCCCOC(=O)C(C)OCCCCCCCO 7a_100000038973_100000760002 [1,1,0,0,0,0|2,0,0]=4 4427 B17R0.454 CCCCOC(=O)C(C)OCCCCCCOC 34a_100000038973_100011998445 [1,1,0,0,0,0|2,0,0]=4 4428 B17R0.454 CCCCOC(=O)C(C)OCCCCCCOC 34a_200012092642_100000759602 [1,1,0,0,0,0|2,0,0]=4 4429 B17R0.454 CCCCOC(=O)C(C)OCCCCCCOC 7a_100000038973_100011998445 [1,1,0,0,0,0|2,0,0]=4 4430 B17R0.454 CCCCOC(=O)C(C)OCCCCCCOC 7a_200012092642_100000759602 [1,1,0,0,0,0|2,0,0]=4 4431 B17R0.454 CCCCOC(=O)C(C)SCCCCCCCO 62a_100000759602_100000760002 [1,1,0,0,0,0|2,0,0]=4 4432 B17R0.454 CCCCOC(=O)C(C)SCCCCCCCO 62a_100000760002_100000759602 [1,1,0,0,0,0|2,0,0]=4 4433 B17R0.454 CCCCOC(=O)C(C)SCCCCCCOC 62a_100000759602_100011998445 [1,1,0,0,0,0|2,0,0]=4 4434 B17R0.454 CCCCOC(=O)C(C)SCCCCCCOC 62a_100011998445_100000759602 [1,1,0,0,0,0|2,0,0]=4 4435 B17R0.454 CCCCOCCCNC(C)C(=O)OCCCC 2230a_200000211371_100000759602 [1,1,0,0,0,0|2,0,0]=4 4436 B17R0.454 CCCCOCCCNC(C)C(=O)OCCCC 34a_200000211371_100000759602 [1,1,0,0,0,0|2,0,0]=4 4437 B17R0.454 CCCCOCCCOC(C)C(=O)OCCCC 34a_200011215613_100000759602 [1,1,0,0,0,0|2,0,0]=4 4438 B17R0.454 CCCCOCCCOC(C)C(=O)OCCCC 7a_200011215613_100000759602 [1,1,0,0,0,0|2,0,0]=4 4439 B17R0.3062 CCC(C)CCCCCOCC(=O)OCCOC 7a_200000035636_200000040189 [1,1,0,0,0,0|2,0,0]=4 4440 B17R0.3062 CCCCCC(=O)COCCCCCC(C)CC 7a_200000035636_200012276598 [1,1,0,0,0,0|2,0,0]=4 4441 B17R0.3062 CCCCNC(=O)COCCCCCC(C)CC 7a_200000035636_100000182744 [1,1,0,0,0,0|2,0,0]=4 4442 B17R0.3062 CCCCOC(=O)COCCCCCC(C)CC 7a_200000035636_100000211628 [1,1,0,0,0,0|1,0,0]=3 4443 B17R0.6195 CCCCCCCC(C)OCC(=O)CCCCC 34a_200011215852_200012276598 [1,1,0,0,0,0|2,0,0]=4 4444 B17R0.6195 CCCCCCCC(C)OCC(=O)CCCCC 7a_200011215852_200012276598 [1,1,0,0,0,0|2,0,0]=4 4445 B17R0.6195 CCCCCCCC(C)OCC(=O)NCCCC 34a_200011215852_100000182744 [1,1,0,0,0,0|2,0,0]=4 4446 B17R0.6195 CCCCCCCC(C)OCC(=O)NCCCC 7a_200011215852_100000182744 [1,1,0,0,0,0|2,0,0]=4 4447 B17R0.6195 CCCCCCCC(C)OCC(=O)OCCCC 34a_200011215852_100000211628 [1,1,0,0,0,0|1,0,0]=3 4448 B17R0.6195 CCCCCCCC(C)OCC(=O)OCCCC 7a_200011215852_100000211628 [1,1,0,0,0,0|1,0,0]=3 4449 B17R0.6195 CCCCCCCC(C)OCC(=O)OCCOC 34a_200011215852_200000040189 [1,1,0,0,0,0|2,0,0]=4 4450 B17R0.6195 CCCCCCCC(C)OCC(=O)OCCOC 7a_200011215852_200000040189 [1,1,0,0,0,0|2,0,0]=4 4451 B17R0.6195 CCCCCCCC(C)SCC(=O)CCCCC 62a_200011218727_200012276598 [1,1,0,0,0,0|2,0,0]=4 4452 B17R0.6195 CCCCCCCC(C)SCC(=O)CCCCC 62a_200012276598_200011218727 [1,1,0,0,0,0|2,0,0]=4 4453 B17R0.6195 CCCCCCCC(C)SCC(=O)NCCCC 62a_100000182744_200011218727 [1,1,0,0,0,0|2,0,0]=4 4454 B17R0.6195 CCCCCCCC(C)SCC(=O)NCCCC 62a_200011218727_100000182744 [1,1,0,0,0,0|2,0,0]=4 4455 B17R0.6195 CCCCCCCC(C)SCC(=O)OCCCC 62a_100000211628_200011218727 [1,1,0,0,0,0|1,0,0]=3 4456 B17R0.6195 CCCCCCCC(C)SCC(=O)OCCCC 62a_200011218727_100000211628 [1,1,0,0,0,0|1,0,0]=3 4457 B17R0.6195 CCCCCCCC(C)SCC(=O)OCCOC 62a_200000040189_200011218727 [1,1,0,0,0,0|2,0,0]=4 4458 B17R0.6195 CCCCCCCC(C)SCC(=O)OCCOC 62a_200011218727_200000040189 [1,1,0,0,0,0|2,0,0]=4 4459 B17R0.12319 CCCCCCCCCCS(=O)(=O)NCCCC 270084a_100000102301_200011217601 [1,1,0,0,0,0|2,0,0]=4 4460 B17R0.12319 CCCCCCCCCCS(=O)(=O)NCCCC 274078a_100000102301_200011217601 [1,1,0,0,0,0|2,0,0]=4 4461 B17R0.12412 C#CCCCCC(=O)CCCCCCCCCC 1458a_100000210375_100010269958 [1,1,0,0,0,0|1,0,1]=4 4462 B17R0.12412 C#CCCCCC(=O)CCCCCCCCCC 1458a_100000696528_100000210319 [1,1,0,0,0,0|1,0,1]=4 4463 B17R0.12412 C#CCCCCCCCCC(=O)COCCCC 1458a_100000029693_100011995733 [1,1,0,0,0,0|0,0,2]=4 4464 B17R0.12412 C#CCCCNC(=O)CCCCCCCCCC 11a_100000718082_100000210375 [1,1,0,0,0,0|1,0,1]=4 4465 B17R0.12412 C#CCCCNC(=O)CCCCCCCCCC 1626a_100000718082_100000210375 [1,1,0,0,0,0|1,0,1]=4 4466 B17R0.12412 C#CCCCNC(=O)CCCCCCCCCC 240690a_100000718082_100000210375 [1,1,0,0,0,0|1,0,1]=4 4467 B17R0.12412 C=CCCCCC(=O)CCCCCCCCCC 1458a_100000210375_100011215482 [1,1,0,0,0,0|1,0,1]=4 4468 B17R0.12412 C=CCCCCC(=O)CCCCCCCCCC 1458a_100011215552_100000210319 [1,1,0,0,0,0|1,0,1]=4 4469 B17R0.12412 C=CCCCCCCCCC(=O)COCCCC 1458a_100000211349_100011995733 [1,1,0,0,0,0|0,0,2]=4 4470 B17R0.12412 C=CCCCCCCCCC(=O)COCCCC 1458a_100000757543_100011933949 [1,1,0,0,0,0|0,0,2]=4 4471 B17R0.12412 C=CCCCNC(=O)CCCCCCCCCC 11a_100000700776_100000210375 [1,1,0,0,0,0|1,0,1]=4 4472 B17R0.12412 C=CCCCNC(=O)CCCCCCCCCC 1626a_100000700776_100000210375 [1,1,0,0,0,0|1,0,1]=4 4473 B17R0.12412 C=CCCCNC(=O)CCCCCCCCCC 240690a_100000700776_100000210375 [1,1,0,0,0,0|1,0,1]=4 4474 B17R0.12412 CC#CCCCCCCCC(=O)COCCCC 1458a_100000066323_100011995733 [1,1,0,0,0,0|0,0,2]=4 4475 B17R0.12412 CC/C=C\CCC(=O)CCCCCCCCCC 1458a_100000210375_100015370543 [1,1,0,0,0,0|1,0,1]=4 4476 B17R0.12412 CCC#CCCCCCCC(=O)COCCCC 1458a_100000757543_200000036426 [1,1,0,0,0,0|0,0,2]=4 4477 B17R0.12412 CCC/C=C/CC(=O)CCCCCCCCCC 1458a_200016266809_100000210319 [1,1,0,0,0,0|1,0,1]=4 4478 B17R0.12412 CCCCC=CC(=O)CCCCCCCCCC 1458a_100016266645_100000210319 [1,1,0,0,0,0|1,0,0]=3 4479 B17R0.12412 CCCCC=CC(=O)CCCCCCCCCO 1458a_100016266645_100009813782 [1,1,0,0,0,0|2,0,0]=4 4480 B17R0.12412 CCCCC=CC(=O)NCCCCCCCCC 11a_100000212291_100016266645 [1,1,0,0,0,0|2,0,0]=4 4481 B17R0.12412 CCCCC=CC(=O)NCCCCCCCCC 1626a_100000212291_100016266645 [1,1,0,0,0,0|2,0,0]=4 4482 B17R0.12412 CCCCC=CC(=O)NCCCCCCCCC 240690a_100000212291_100016266645 [1,1,0,0,0,0|2,0,0]=4 4483 B17R0.12412 CCCCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210757 [1,1,0,0,0,0|2,0,0]=4 4484 B17R0.12412 CCCCCCC(=O)CCCCCCCCCO 1458a_100102632555_100009813782 [1,1,0,0,0,0|2,0,0]=4 4485 B17R0.12412 CCCCCCCCC=CC(=O)COCCCC 1458a_100015345288_100011995733 [1,1,0,0,0,0|0,0,2]=4 4486 B17R0.12412 CCCCCCCCCCC(=NNCCCC)C 4a_100025702795_200011219864 [1,1,0,0,0,0|2,0,0]=4 4487 B17R0.12412 CCCCCCCCCCC(=O)CCCCC#N 1458a_100000210375_100000211819 [1,1,0,0,0,0|1,0,1]=4 4488 B17R0.12412 CCCCCCCCCCC(=O)CCCCCF 1458a_100000210375_100000729378 [1,1,0,0,0,0|1,0,0]=3 4489 B17R0.12412 CCCCCCCCCCC(=O)CCCCCO 1458a_100000210375_100000746330 [1,1,0,0,0,0|1,0,0]=3 4490 B17R0.12412 CCCCCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210319 [1,1,0,0,0,0|1,0,0]=3 4491 B17R0.12412 CCCCCCCCCCC(=O)CCCCOC 1458a_100000210375_100000755781 [1,1,0,0,0,0|1,0,0]=3 4492 B17R0.12412 CCCCCCCCCCC(=O)CCCOCC 1458a_100000210375_100012232248 [1,1,0,0,0,0|1,0,0]=3 4493 B17R0.12412 CCCCCCCCCCC(=O)CCOCCC 1458a_100000210375_100011215938 [1,1,0,0,0,0|1,0,0]=3 4494 B17R0.12412 CCCCCCCCCCC(=O)CCOCCO 1458a_100000210375_100011215305 [1,1,0,0,0,0|2,0,0]=4 4495 B17R0.12412 CCCCCCCCCCC(=O)CCOCCO 1458a_100011229844_100000210319 [1,1,0,0,0,0|2,0,0]=4 4496 B17R0.12412 CCCCCCCCCCC(=O)COCCCC 1458a_100000210375_100011995733 [1,1,0,0,0,0|0,0,0]=2 4497 B17R0.12412 CCCCCCCCCCC(=O)COCCCC 1458a_100000757543_100000210319 [1,1,0,0,0,0|0,0,0]=2 4498 B17R0.12412 CCCCCCCCCCC(=O)COCCOC 1458a_100000211095_100000210319 [1,1,0,0,0,0|1,0,0]=3 4499 B17R0.12412 CCCCCCCCCCC(=O)CSCCCC 1458a_100000191162_100000210319 [1,1,0,0,0,0|0,1,0]=3 4500 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000210375 [1,1,0,0,0,0|1,0,0]=3 4501 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000210375 [1,1,0,0,0,0|1,0,0]=3 4502 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000210375 [1,1,0,0,0,0|1,0,0]=3 4503 B17R0.12412 CCCCCCCCCCC(=O)NCCCCO 240690a_100000750430_100000210375 [1,1,0,0,0,0|1,0,0]=3 4504 B17R0.12412 CCCCCCCCCCC(=O)NCCCOC 1626a_100150723488_100000210375 [1,1,0,0,0,0|1,0,0]=3 4505 B17R0.12412 CCCCCCCCCCC(=O)NCCCOC 240690a_100150723488_100000210375 [1,1,0,0,0,0|1,0,0]=3 4506 B17R0.12412 CCCCCCCCCCC(=O)NCCCSC 11a_100000749238_100000210375 [1,1,0,0,0,0|1,0,0]=3 4507 B17R0.12412 CCCCCCCCCCC(=O)NCCCSC 1626a_100000749238_100000210375 [1,1,0,0,0,0|1,0,0]=3 4508 B17R0.12412 CCCCCCCCCCC(=O)NCCCSC 240690a_100000749238_100000210375 [1,1,0,0,0,0|1,0,0]=3 4509 B17R0.12412 CCCCCCCCCCC(=O)NCCOCC 11a_100011200944_100000210375 [1,1,0,0,0,0|1,0,0]=3 4510 B17R0.12412 CCCCCCCCCCC(=O)NCCOCC 1626a_102516460346_100000210375 [1,1,0,0,0,0|1,0,0]=3 4511 B17R0.12412 CCCCCCCCCCC(=O)NCCOCC 240690a_100011200944_100000210375 [1,1,0,0,0,0|1,0,0]=3 4512 B17R0.12412 CCCCCCCCCCC(=O)NCCSCC 11a_100000106463_100000210375 [1,1,0,0,0,0|1,0,0]=3 4513 B17R0.12412 CCCCCCCCCCC(=O)NCCSCC 1626a_100000106463_100000210375 [1,1,0,0,0,0|1,0,0]=3 4514 B17R0.12412 CCCCCCCCCCC(=O)NCCSCC 240690a_100000106463_100000210375 [1,1,0,0,0,0|1,0,0]=3 4515 B17R0.12412 CCCCCCCCCCC(=O)NNCCCC 22a_100025702795_100000210375 [1,1,0,0,0,0|1,0,0]=3 4516 B17R0.12412 CCCCCCCCCCC(=O)NNCCOC 22a_100000741390_100000210375 [1,1,0,0,0,0|2,0,0]=4 4517 B17R0.12412 CCCCCCCCCCC(C)OCCCCF 34a_100011215000_100000729493 [1,1,0,0,0,0|1,0,1]=4 4518 B17R0.12412 CCCCCCCCCCC(C)OCCCCF 7a_100011215000_100000729493 [1,1,0,0,0,0|1,0,1]=4 4519 B17R0.12412 CCCCCCCCCCC(C)OCCCCO 34a_100011215000_100011216708 [1,1,0,0,0,0|1,0,1]=4 4520 B17R0.12412 CCCCCCCCCCC(C)OCCCCO 7a_100011215000_100000210776 [1,1,0,0,0,0|1,0,1]=4 4521 B17R0.12412 CCCCCCCCCCC(C)OCCCOC 34a_100011215000_100000740836 [1,1,0,0,0,0|1,0,1]=4 4522 B17R0.12412 CCCCCCCCCCC(C)OCCCOC 7a_100011215000_100000740836 [1,1,0,0,0,0|1,0,1]=4 4523 B17R0.12412 CCCCCCCCCCC(C)OCCOCC 34a_100011215000_100000210147 [1,1,0,0,0,0|1,0,1]=4 4524 B17R0.12412 CCCCCCCCCCC(C)OCCOCC 7a_100011215000_100011215890 [1,1,0,0,0,0|1,0,1]=4 4525 B17R0.12412 CCCCCCCCCCC(C)OCCSCC 34a_100011215000_100000757381 [1,1,0,0,0,0|1,0,1]=4 4526 B17R0.12412 CCCCCCCCCCC(C)OCCSCC 7a_100011215000_100000757381 [1,1,0,0,0,0|1,0,1]=4 4527 B17R0.12412 CCCCCCCCCCN(C)COCCCC 2230a_100000207566_100011995733 [1,1,0,0,0,0|2,0,0]=4 4528 B17R0.12412 CCCCCCCCCCN(C)COCCCC 269982a_100000207566_100011995733 [1,1,0,0,0,0|2,0,0]=4 4529 B17R0.12412 CCCCCCCCCNC(=O)CCCCCC 11a_100000212291_100102632555 [1,1,0,0,0,0|2,0,0]=4 4530 B17R0.12412 CCCCCCCCCNC(=O)CCCCCC 1626a_100000212291_100102632555 [1,1,0,0,0,0|2,0,0]=4 4531 B17R0.12412 CCCCCCCCCNC(=O)CCCCCC 240690a_100000212291_100102632555 [1,1,0,0,0,0|2,0,0]=4 4532 B17R0.12412 CCCCCCCCCNC(=O)CCCCCC 527a_100000212291_100102632555 [1,1,0,0,0,0|2,0,0]=4 4533 B17R0.12412 CCCCCCCCCNC(=O)CCCCCO 240690a_100000212291_100102619762 [1,1,0,0,0,0|2,0,0]=4 4534 B17R0.12412 CCCCCCCCCNC(=O)COCCCC 11a_100000212291_100000757543 [1,1,0,0,0,0|1,0,0]=3 4535 B17R0.12412 CCCCCCCCCNC(=O)COCCCC 1626a_100000212291_100000757543 [1,1,0,0,0,0|1,0,0]=3 4536 B17R0.12412 CCCCCCCCCNC(=O)COCCCC 240690a_100000212291_100000757543 [1,1,0,0,0,0|1,0,0]=3 4537 B17R0.12412 CCCCCCCCCNC(=O)COCCCC 527a_100000212291_100000757543 [1,1,0,0,0,0|1,0,0]=3 4538 B17R0.12412 CCCCCCCCCNC(=O)COCCOC 11a_100000212291_100000211095 [1,1,0,0,0,0|2,0,0]=4 4539 B17R0.12412 CCCCCCCCCNC(=O)COCCOC 1626a_100000212291_100000211095 [1,1,0,0,0,0|2,0,0]=4 4540 B17R0.12412 CCCCCCCCCNC(=O)COCCOC 240690a_100000212291_100000211095 [1,1,0,0,0,0|2,0,0]=4 4541 B17R0.12412 CCCCCCCCCNC(=O)COCCOC 527a_100000212291_100000211095 [1,1,0,0,0,0|2,0,0]=4 4542 B17R0.12412 CCCCCCCCCNC(=O)CSCCCC 11a_100000212291_100000191162 [1,1,0,0,0,0|1,1,0]=4 4543 B17R0.12412 CCCCCCCCCNC(=O)CSCCCC 1626a_100000212291_100000191162 [1,1,0,0,0,0|1,1,0]=4 4544 B17R0.12412 CCCCCCCCCNC(=O)CSCCCC 240690a_100000212291_100000191162 [1,1,0,0,0,0|1,1,0]=4 4545 B17R0.12412 CCCCCCCCCNC(=O)CSCCCC 527a_100000212291_100000191162 [1,1,0,0,0,0|1,1,0]=4 4546 B17R0.12412 CCCCCCCCCNC(=O)NCCCCC 2708a_100000209983_100000212291 [1,1,0,0,0,0|2,0,0]=4 4547 B17R0.12412 CCCCCCCCCNC(=O)NCCCCC 2708a_100000212291_100000209983 [1,1,0,0,0,0|2,0,0]=4 4548 B17R0.12412 CCCCCCCCCNC(=O)NCCCCC 273464a_100000209983_100000212291 [1,1,0,0,0,0|2,0,0]=4 4549 B17R0.12412 CCCCCCCCCNC(=O)NCCCCC 273464a_100000212291_100000209983 [1,1,0,0,0,0|2,0,0]=4 4550 B17R0.12412 CCCCCCCCCNC(=O)NCCCCC 512a_100000209983_100000212291 [1,1,0,0,0,0|2,0,0]=4 4551 B17R0.12412 CCCCCCCCCNC(=O)NCCCCC 512a_100000212291_100000209983 [1,1,0,0,0,0|2,0,0]=4 4552 B17R0.12412 CCCCCCCCCNC(=O)NCCCCO 2708a_100000212291_100000750430 [1,1,0,0,0,0|2,0,0]=4 4553 B17R0.12412 CCCCCCCCCNC(=O)NCCCCO 2708a_100000750430_100000212291 [1,1,0,0,0,0|2,0,0]=4 4554 B17R0.12412 CCCCCCCCCNC(=O)NCCCCO 273464a_100000212291_100000750430 [1,1,0,0,0,0|2,0,0]=4 4555 B17R0.12412 CCCCCCCCCNC(=O)NCCCCO 273464a_100000750430_100000212291 [1,1,0,0,0,0|2,0,0]=4 4556 B17R0.12412 CCCCCCCCCNC(=O)NCCCCO 512a_100000212291_100000750430 [1,1,0,0,0,0|2,0,0]=4 4557 B17R0.12412 CCCCCCCCCNC(=O)NCCCCO 512a_100000750430_100000212291 [1,1,0,0,0,0|2,0,0]=4 4558 B17R0.12412 CCCCCCCCCNC(=O)NCCCOC 2708a_100000212291_100150723488 [1,1,0,0,0,0|2,0,0]=4 4559 B17R0.12412 CCCCCCCCCNC(=O)NCCCOC 2708a_100150723488_100000212291 [1,1,0,0,0,0|2,0,0]=4 4560 B17R0.12412 CCCCCCCCCNC(=O)NCCCOC 273464a_100000212291_100150723488 [1,1,0,0,0,0|2,0,0]=4 4561 B17R0.12412 CCCCCCCCCNC(=O)NCCCOC 273464a_100150723488_100000212291 [1,1,0,0,0,0|2,0,0]=4 4562 B17R0.12412 CCCCCCCCCNC(=O)NCCCOC 512a_100000212291_100150723488 [1,1,0,0,0,0|2,0,0]=4 4563 B17R0.12412 CCCCCCCCCNC(=O)NCCCSC 2708a_100000212291_100000749238 [1,1,0,0,0,0|2,0,0]=4 4564 B17R0.12412 CCCCCCCCCNC(=O)NCCCSC 2708a_100000749238_100000212291 [1,1,0,0,0,0|2,0,0]=4 4565 B17R0.12412 CCCCCCCCCNC(=O)NCCCSC 273464a_100000212291_100000749238 [1,1,0,0,0,0|2,0,0]=4 4566 B17R0.12412 CCCCCCCCCNC(=O)NCCCSC 273464a_100000749238_100000212291 [1,1,0,0,0,0|2,0,0]=4 4567 B17R0.12412 CCCCCCCCCNC(=O)NCCCSC 512a_100000212291_100000749238 [1,1,0,0,0,0|2,0,0]=4 4568 B17R0.12412 CCCCCCCCCNC(=O)NCCCSC 512a_100000749238_100000212291 [1,1,0,0,0,0|2,0,0]=4 4569 B17R0.12412 CCCCCCCCCNC(=O)NCCOCC 2708a_100000212291_100011200944 [1,1,0,0,0,0|2,0,0]=4 4570 B17R0.12412 CCCCCCCCCNC(=O)NCCOCC 2708a_100011200944_100000212291 [1,1,0,0,0,0|2,0,0]=4 4571 B17R0.12412 CCCCCCCCCNC(=O)NCCOCC 273464a_100000212291_102516460346 [1,1,0,0,0,0|2,0,0]=4 4572 B17R0.12412 CCCCCCCCCNC(=O)NCCOCC 273464a_102516460346_100000212291 [1,1,0,0,0,0|2,0,0]=4 4573 B17R0.12412 CCCCCCCCCNC(=O)NCCOCC 512a_100000212291_100011200944 [1,1,0,0,0,0|2,0,0]=4 4574 B17R0.12412 CCCCCCCCCNC(=O)NCCOCC 512a_100011200944_100000212291 [1,1,0,0,0,0|2,0,0]=4 4575 B17R0.12412 CCCCCCCCCNC(=O)NCCSCC 2708a_100000106463_100000212291 [1,1,0,0,0,0|2,0,0]=4 4576 B17R0.12412 CCCCCCCCCNC(=O)NCCSCC 2708a_100000212291_100000106463 [1,1,0,0,0,0|2,0,0]=4 4577 B17R0.12412 CCCCCCCCCNC(=O)NCCSCC 273464a_100000106463_100000212291 [1,1,0,0,0,0|2,0,0]=4 4578 B17R0.12412 CCCCCCCCCNC(=O)NCCSCC 273464a_100000212291_100000106463 [1,1,0,0,0,0|2,0,0]=4 4579 B17R0.12412 CCCCCCCCCNC(=O)NCCSCC 512a_100000106463_100000212291 [1,1,0,0,0,0|2,0,0]=4 4580 B17R0.12412 CCCCCCCCCNC(=O)NCCSCC 512a_100000212291_100000106463 [1,1,0,0,0,0|2,0,0]=4 4581 B17R0.12412 CCCCCCCCCNC(=O)NNCCCC 273464a_100000212291_100025702795 [1,1,0,0,0,0|2,0,0]=4 4582 B17R0.12412 CCCCCCCCCNC(=O)NNCCCC 512a_100000212291_100025702795 [1,1,0,0,0,0|2,0,0]=4 4583 B17R0.12412 CCCCCCCCCNC(=O)NNCCCC 512a_100025702795_100000212291 [1,1,0,0,0,0|2,0,0]=4 4584 B17R0.12412 CCCCCCCCNCC(=O)NCCCCC 2230a_100000229939_100000230301 [1,1,0,0,0,0|2,0,0]=4 4585 B17R0.12412 CCCCCCCCNCC(=O)NCCCCC 34a_100000229939_100000230301 [1,1,0,0,0,0|2,0,0]=4 4586 B17R0.12412 CCCCCCCCNCC(=O)NCCCOC 2230a_100000229939_100000183178 [1,1,0,0,0,0|2,0,0]=4 4587 B17R0.12412 CCCCCCCCNCC(=O)NCCCOC 34a_100000229939_100000183178 [1,1,0,0,0,0|2,0,0]=4 4588 B17R0.12412 CCCCCCCCNCC(=O)OCCOCC 2230a_100000229939_200000101388 [1,1,0,0,0,0|1,0,0]=3 4589 B17R0.12412 CCCCCCCCNCC(=O)OCCOCC 34a_100000229939_200000101388 [1,1,0,0,0,0|1,0,0]=3 4590 B17R0.12412 CCCCCCCCOCC(=O)CCCCCC 1458a_100000759886_100000210757 [1,1,0,0,0,0|2,0,0]=4 4591 B17R0.12412 CCCCCCCCOCC(=O)CCCCCF 1458a_100000759886_100000729378 [1,1,0,0,0,0|2,0,0]=4 4592 B17R0.12412 CCCCCCCCOCC(=O)CCCCCO 1458a_100000759886_100000746330 [1,1,0,0,0,0|2,0,0]=4 4593 B17R0.12412 CCCCCCCCOCC(=O)CCCCOC 1458a_100000759886_100000755781 [1,1,0,0,0,0|2,0,0]=4 4594 B17R0.12412 CCCCCCCCOCC(=O)CCCOCC 1458a_100000759886_100012232248 [1,1,0,0,0,0|2,0,0]=4 4595 B17R0.12412 CCCCCCCCOCC(=O)CCOCCC 1458a_100000759886_100011215938 [1,1,0,0,0,0|2,0,0]=4 4596 B17R0.12412 CCCCCCCCOCC(=O)COCCCC 1458a_100000759886_100011995733 [1,1,0,0,0,0|1,0,0]=3 4597 B17R0.12412 CCCCCCCCOCC(=O)NCCCCC 11a_100000209983_100000759886 [1,1,0,0,0,0|2,0,0]=4 4598 B17R0.12412 CCCCCCCCOCC(=O)NCCCCC 1626a_100000209983_100000759886 [1,1,0,0,0,0|2,0,0]=4 4599 B17R0.12412 CCCCCCCCOCC(=O)NCCCCC 240690a_100000209983_100000759886 [1,1,0,0,0,0|2,0,0]=4 4600 B17R0.12412 CCCCCCCCOCC(=O)NCCCCC 34a_100000210232_100000230301 [1,1,0,0,0,0|2,0,0]=4 4601 B17R0.12412 CCCCCCCCOCC(=O)NCCCCC 527a_100000209983_100000759886 [1,1,0,0,0,0|2,0,0]=4 4602 B17R0.12412 CCCCCCCCOCC(=O)NCCCCC 7a_100000210232_100000230301 [1,1,0,0,0,0|2,0,0]=4 4603 B17R0.12412 CCCCCCCCOCC(=O)NCCCCO 240690a_100000750430_100000759886 [1,1,0,0,0,0|2,0,0]=4 4604 B17R0.12412 CCCCCCCCOCC(=O)NCCCCO 527a_100000750430_100000759886 [1,1,0,0,0,0|2,0,0]=4 4605 B17R0.12412 CCCCCCCCOCC(=O)NCCCOC 1626a_100150723488_100000759886 [1,1,0,0,0,0|2,0,0]=4 4606 B17R0.12412 CCCCCCCCOCC(=O)NCCCOC 240690a_100150723488_100000759886 [1,1,0,0,0,0|2,0,0]=4 4607 B17R0.12412 CCCCCCCCOCC(=O)NCCCOC 34a_100000210232_100000183178 [1,1,0,0,0,0|2,0,0]=4 4608 B17R0.12412 CCCCCCCCOCC(=O)NCCCOC 527a_100150723488_100000759886 [1,1,0,0,0,0|2,0,0]=4 4609 B17R0.12412 CCCCCCCCOCC(=O)NCCCOC 7a_100000210232_100000183178 [1,1,0,0,0,0|2,0,0]=4 4610 B17R0.12412 CCCCCCCCOCC(=O)NCCCSC 11a_100000749238_100000759886 [1,1,0,0,0,0|2,0,0]=4 4611 B17R0.12412 CCCCCCCCOCC(=O)NCCCSC 1626a_100000749238_100000759886 [1,1,0,0,0,0|2,0,0]=4 4612 B17R0.12412 CCCCCCCCOCC(=O)NCCCSC 240690a_100000749238_100000759886 [1,1,0,0,0,0|2,0,0]=4 4613 B17R0.12412 CCCCCCCCOCC(=O)NCCCSC 527a_100000749238_100000759886 [1,1,0,0,0,0|2,0,0]=4 4614 B17R0.12412 CCCCCCCCOCC(=O)NCCOCC 11a_100011200944_100000759886 [1,1,0,0,0,0|2,0,0]=4 4615 B17R0.12412 CCCCCCCCOCC(=O)NCCOCC 1626a_102516460346_100000759886 [1,1,0,0,0,0|2,0,0]=4 4616 B17R0.12412 CCCCCCCCOCC(=O)NCCOCC 240690a_100011200944_100000759886 [1,1,0,0,0,0|2,0,0]=4 4617 B17R0.12412 CCCCCCCCOCC(=O)NCCOCC 527a_100011200944_100000759886 [1,1,0,0,0,0|2,0,0]=4 4618 B17R0.12412 CCCCCCCCOCC(=O)NCCSCC 11a_100000106463_100000759886 [1,1,0,0,0,0|2,0,0]=4 4619 B17R0.12412 CCCCCCCCOCC(=O)NCCSCC 1626a_100000106463_100000759886 [1,1,0,0,0,0|2,0,0]=4 4620 B17R0.12412 CCCCCCCCOCC(=O)NCCSCC 240690a_100000106463_100000759886 [1,1,0,0,0,0|2,0,0]=4 4621 B17R0.12412 CCCCCCCCOCC(=O)NCCSCC 527a_100000106463_100000759886 [1,1,0,0,0,0|2,0,0]=4 4622 B17R0.12412 CCCCCCCCOCC(=O)NNCCCC 22a_100025702795_100000759886 [1,1,0,0,0,0|2,0,0]=4 4623 B17R0.12412 CCCCCCCCOCC(=O)OCCOCC 34a_100000210232_200000101388 [1,1,0,0,0,0|1,0,0]=3 4624 B17R0.12412 CCCCCCCCOCC(=O)OCCOCC 7a_100000210232_200000101388 [1,1,0,0,0,0|1,0,0]=3 4625 B17R0.12412 CCCCCCCCSCC(=O)NCCCCC 62a_100000210759_100000230301 [1,1,0,0,0,0|2,0,0]=4 4626 B17R0.12412 CCCCCCCCSCC(=O)NCCCCC 62a_100000230301_100000210317 [1,1,0,0,0,0|2,0,0]=4 4627 B17R0.12412 CCCCCCCCSCC(=O)NCCCOC 62a_100000183178_100000210317 [1,1,0,0,0,0|2,0,0]=4 4628 B17R0.12412 CCCCCCCCSCC(=O)OCCOCC 62a_100000210759_200000101388 [1,1,0,0,0,0|1,0,0]=3 4629 B17R0.12412 CCCCCCCCSCC(=O)OCCOCC 62a_200000101388_100000210317 [1,1,0,0,0,0|1,0,0]=3 4630 B17R0.12412 CCCCCNC(=O)CCCCCCCCCF 11a_100000209983_200009909015 [1,1,0,0,0,0|2,0,0]=4 4631 B17R0.12412 CCCCCNC(=O)CCCCCCCCCF 240690a_100000209983_200009909015 [1,1,0,0,0,0|2,0,0]=4 4632 B17R0.12412 CCCCCNC(=O)CCCCCCCCCF 527a_100000209983_200009909015 [1,1,0,0,0,0|2,0,0]=4 4633 B17R0.12412 CCCCCNC(=O)CCCCCCCCCO 240690a_100000209983_100000032657 [1,1,0,0,0,0|2,0,0]=4 4634 B17R0.12412 CCCCCNCCOCC(=O)OCCOCC 34a_100000224656_200000101388 [1,1,0,0,0,0|2,0,0]=4 4635 B17R0.12412 CCCCCOCCOCC(=O)OCCOCC 34a_100011215259_200000101388 [1,1,0,0,0,0|2,0,0]=4 4636 B17R0.12412 CCCCCOCCOCC(=O)OCCOCC 7a_100011215259_200000101388 [1,1,0,0,0,0|2,0,0]=4 4637 B17R0.12412 CCCCNNC(=O)CCCCCCCCCF 22a_100025702795_200009909015 [1,1,0,0,0,0|2,0,0]=4 4638 B17R0.12412 CCCCNNC(=O)CCCCCCCCCO 22a_100025702795_100000032657 [1,1,0,0,0,0|2,0,0]=4 4639 B17R0.12412 CCCCOCC(=O)CCCCCCCCCF 1458a_200009909015_100011995733 [1,1,0,0,0,0|1,0,0]=3 4640 B17R0.12412 CCCCOCC(=O)CCCCCCCCCO 1458a_100000757543_100009813782 [1,1,0,0,0,0|1,0,0]=3 4641 B17R0.12412 CCCCOCC(=O)NCCCCCCCCO 240690a_102515433106_100000757543 [1,1,0,0,0,0|2,0,0]=4 4642 B17R0.12412 CCCCOCCCNCC(=O)OCCOCC 2230a_200000211371_200000101388 [1,1,0,0,0,0|2,0,0]=4 4643 B17R0.12412 CCCCOCCCNCC(=O)OCCOCC 34a_200000211371_200000101388 [1,1,0,0,0,0|2,0,0]=4 4644 B17R0.12412 CCCCOCCCOCC(=O)OCCOCC 34a_200011215613_200000101388 [1,1,0,0,0,0|2,0,0]=4 4645 B17R0.12412 CCCCOCCCOCC(=O)OCCOCC 7a_200011215613_200000101388 [1,1,0,0,0,0|2,0,0]=4 4646 B17R0.12412 CCCCSCC(=O)CCCCCCCCCO 1458a_100000191162_100009813782 [1,1,0,0,0,0|1,1,0]=4 4647 B17R0.12412 CCCOCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215938 [1,1,0,0,0,0|2,0,0]=4 4648 B17R0.12412 CCOCCCC(=O)CCCCCCCCCF 1458a_200009909015_100012232248 [1,1,0,0,0,0|2,0,0]=4 4649 B17R0.12412 CCOCCNC(=O)CCCCCCCCCF 11a_100011200944_200009909015 [1,1,0,0,0,0|2,0,0]=4 4650 B17R0.12412 CCOCCNC(=O)CCCCCCCCCF 240690a_100011200944_200009909015 [1,1,0,0,0,0|2,0,0]=4 4651 B17R0.12412 CCOCCNC(=O)CCCCCCCCCF 527a_100011200944_200009909015 [1,1,0,0,0,0|2,0,0]=4 4652 B17R0.12412 CCOCCNC(=O)CCCCCCCCCO 240690a_100011200944_100000032657 [1,1,0,0,0,0|2,0,0]=4 4653 B17R0.12412 CCOCCOC(=O)CNCCCCCCCO 2230a_100011996573_200000101388 [1,1,0,0,0,0|2,0,0]=4 4654 B17R0.12412 CCOCCOC(=O)CNCCCCCCCO 34a_100011996573_200000101388 [1,1,0,0,0,0|2,0,0]=4 4655 B17R0.12412 CCOCCOC(=O)COCCCCCCCBr 34a_100000760002_200000101388 [1,1,0,0,0,0|2,0,0]=4 4656 B17R0.12412 CCOCCOC(=O)COCCCCCCCBr 7a_100000760002_200000101388 [1,1,0,0,0,0|2,0,0]=4 4657 B17R0.12412 CCOCCOC(=O)COCCCCCCCN 34a_100011996573_200000101388 [1,1,0,0,0,0|2,0,0]=4 4658 B17R0.12412 CCOCCOC(=O)COCCCCCCOC 34a_200012092642_200000101388 [1,1,0,0,0,0|2,0,0]=4 4659 B17R0.12412 CCOCCOC(=O)COCCCCCCOC 7a_200012092642_200000101388 [1,1,0,0,0,0|2,0,0]=4 4660 B17R0.12412 CCOCCOC(=O)CSCCCCCCCO 62a_100000760002_200000101388 [1,1,0,0,0,0|2,0,0]=4 4661 B17R0.12412 CCOCCOC(=O)CSCCCCCCCO 62a_200000101388_100000760002 [1,1,0,0,0,0|2,0,0]=4 4662 B17R0.12412 CCOCCOC(=O)CSCCCCCCOC 62a_100011998445_200000101388 [1,1,0,0,0,0|2,0,0]=4 4663 B17R0.12412 CCOCCOC(=O)CSCCCCCCOC 62a_200000101388_100011998445 [1,1,0,0,0,0|2,0,0]=4 4664 B17R0.12412 CCSCCNC(=O)CCCCCCCCCF 11a_100000106463_200009909015 [1,1,0,0,0,0|2,0,0]=4 4665 B17R0.12412 CCSCCNC(=O)CCCCCCCCCF 240690a_100000106463_200009909015 [1,1,0,0,0,0|2,0,0]=4 4666 B17R0.12412 CCSCCNC(=O)CCCCCCCCCF 527a_100000106463_200009909015 [1,1,0,0,0,0|2,0,0]=4 4667 B17R0.12412 CCSCCNC(=O)CCCCCCCCCO 240690a_100000106463_100000032657 [1,1,0,0,0,0|2,0,0]=4 4668 B17R0.12412 COCCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000755781 [1,1,0,0,0,0|2,0,0]=4 4669 B17R0.12412 COCCCNC(=O)CCCCCCCCCF 240690a_100150723488_200009909015 [1,1,0,0,0,0|2,0,0]=4 4670 B17R0.12412 COCCCNC(=O)CCCCCCCCCF 527a_100150723488_200009909015 [1,1,0,0,0,0|2,0,0]=4 4671 B17R0.12412 COCCCNC(=O)CCCCCCCCCO 240690a_100150723488_100000032657 [1,1,0,0,0,0|2,0,0]=4 4672 B17R0.12412 COCCOCC(=O)CCCCCCCCCO 1458a_100000211095_100009813782 [1,1,0,0,0,0|2,0,0]=4 4673 B17R0.12412 CSCCCNC(=O)CCCCCCCCCF 11a_100000749238_200009909015 [1,1,0,0,0,0|2,0,0]=4 4674 B17R0.12412 CSCCCNC(=O)CCCCCCCCCF 240690a_100000749238_200009909015 [1,1,0,0,0,0|2,0,0]=4 4675 B17R0.12412 CSCCCNC(=O)CCCCCCCCCF 527a_100000749238_200009909015 [1,1,0,0,0,0|2,0,0]=4 4676 B17R0.12412 CSCCCNC(=O)CCCCCCCCCO 240690a_100000749238_100000032657 [1,1,0,0,0,0|2,0,0]=4 4677 B17R0.12412 O=C(CCCCCCCCCF)NCCCCO 240690a_100000750430_200009909015 [1,1,0,0,0,0|2,0,0]=4 4678 B17R0.12412 O=C(CCCCCCCCCF)NCCCCO 527a_100000750430_200009909015 [1,1,0,0,0,0|2,0,0]=4 4679 B17R0.12412 O=C(CCCCCCCCCO)NCCCCO 240690a_100000750430_100000032657 [1,1,0,0,0,0|2,0,0]=4 4680 B17R0.12412 O=C(CCCCCF)CCCCCCCCCF 1458a_200009909015_100000729378 [1,1,0,0,0,0|2,0,0]=4 4681 B17R0.12412 O=C(CCCCCO)CCCCCCCCCF 1458a_200009909015_100000746330 [1,1,0,0,0,0|2,0,0]=4 4682 B17R0.12412 O=C(CCCCCO)CCCCCCCCCO 1458a_100102619762_100009813782 [1,1,0,0,0,0|2,0,0]=4 4683 B17R0.12415 CCC(C)CCC(=O)CCCCCCCCCO 1458a_100000701222_100009813782 [1,1,0,0,0,0|2,0,0]=4 4684 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCF 11a_100020588543_200009909015 [1,1,0,0,0,0|2,0,0]=4 4685 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCF 240690a_100020588543_200009909015 [1,1,0,0,0,0|2,0,0]=4 4686 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCF 527a_100020588543_200009909015 [1,1,0,0,0,0|2,0,0]=4 4687 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCO 240690a_100020588543_100000032657 [1,1,0,0,0,0|2,0,0]=4 4688 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 11a_100011218483_200009909015 [1,1,0,0,0,0|2,0,0]=4 4689 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 240690a_100011218483_200009909015 [1,1,0,0,0,0|2,0,0]=4 4690 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 527a_100011218483_200009909015 [1,1,0,0,0,0|2,0,0]=4 4691 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCO 240690a_100011218483_100000032657 [1,1,0,0,0,0|2,0,0]=4 4692 B17R0.12415 CCCCCCCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210319 [1,1,0,0,0,0|1,0,0]=3 4693 B17R0.12415 CCCCCCCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210319 [1,1,0,0,0,0|2,0,0]=4 4694 B17R0.12415 CCCCCCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210319 [1,1,0,0,0,0|2,0,0]=4 4695 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000210375 [1,1,0,0,0,0|1,0,0]=3 4696 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000210375 [1,1,0,0,0,0|1,0,0]=3 4697 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000210375 [1,1,0,0,0,0|1,0,0]=3 4698 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CO 240690a_100000744482_100000210375 [1,1,0,0,0,0|2,0,0]=4 4699 B17R0.12415 CCCCCCCCCCC(=O)NCC(O)CC 11a_100011218483_100000210375 [1,1,0,0,0,0|1,0,0]=3 4700 B17R0.12415 CCCCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100000210375 [1,1,0,0,0,0|1,0,0]=3 4701 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210375 [1,1,0,0,0,0|2,0,0]=4 4702 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210375 [1,1,0,0,0,0|2,0,0]=4 4703 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210375 [1,1,0,0,0,0|2,0,0]=4 4704 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210375 [1,1,0,0,0,0|2,0,0]=4 4705 B17R0.12415 CCCCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210375 [1,1,0,0,0,0|2,0,0]=4 4706 B17R0.12415 CCCCCCCCCCC(=O)NNC(C)CC 22a_100000718999_100000210375 [1,1,0,0,0,0|2,0,0]=4 4707 B17R0.12415 CCCCCCCCCCC(C)OCC(C)CC 34a_100011215000_100000748023 [1,1,0,0,0,0|1,0,1]=4 4708 B17R0.12415 CCCCCCCCCCC(C)OCC(C)CC 7a_100011215000_100000748023 [1,1,0,0,0,0|1,0,1]=4 4709 B17R0.12415 CCCCCCCCCCC(C)OCC(O)CC 34a_100011215000_100011218378 [1,1,0,0,0,0|1,0,1]=4 4710 B17R0.12415 CCCCCCCCCCC(C)OCC(O)CC 7a_100011215000_100011218378 [1,1,0,0,0,0|1,0,1]=4 4711 B17R0.12415 CCCCCCCCCCC(C)OC[C@@H](C)CC 34a_100011215000_100009816398 [1,1,0,0,0,0|1,0,1]=4 4712 B17R0.12415 CCCCCCCCCCC(C)OC[C@@H](C)CC 7a_100011215000_100009816398 [1,1,0,0,0,0|1,0,1]=4 4713 B17R0.12415 CCCCCCCCCNC(=O)CCC(C)CC 11a_100000212291_100000701222 [1,1,0,0,0,0|2,0,0]=4 4714 B17R0.12415 CCCCCCCCCNC(=O)CCC(C)CC 1626a_100000212291_100000701222 [1,1,0,0,0,0|2,0,0]=4 4715 B17R0.12415 CCCCCCCCCNC(=O)CCC(C)CC 240690a_100000212291_100000701222 [1,1,0,0,0,0|2,0,0]=4 4716 B17R0.12415 CCCCCCCCCNC(=O)CCC(C)CC 527a_100000212291_100000701222 [1,1,0,0,0,0|2,0,0]=4 4717 B17R0.12415 CCCCCCCCCNC(=O)CCC(O)CC 1626a_100000212291_203496584001 [1,1,0,0,0,0|2,0,0]=4 4718 B17R0.12415 CCCCCCCCCNC(=O)CCC(O)CC 240690a_100000212291_203496584001 [1,1,0,0,0,0|2,0,0]=4 4719 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 2708a_100000212291_100020588543 [1,1,0,0,0,0|2,0,0]=4 4720 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 2708a_100020588543_100000212291 [1,1,0,0,0,0|2,0,0]=4 4721 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 273464a_100000212291_100020588543 [1,1,0,0,0,0|2,0,0]=4 4722 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 273464a_100020588543_100000212291 [1,1,0,0,0,0|2,0,0]=4 4723 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 512a_100000212291_100020588543 [1,1,0,0,0,0|2,0,0]=4 4724 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 512a_100020588543_100000212291 [1,1,0,0,0,0|2,0,0]=4 4725 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 2708a_100000212291_100011218483 [1,1,0,0,0,0|2,0,0]=4 4726 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 273464a_100000212291_100011218483 [1,1,0,0,0,0|2,0,0]=4 4727 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 273464a_100011218483_100000212291 [1,1,0,0,0,0|2,0,0]=4 4728 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 512a_100011218483_100000212291 [1,1,0,0,0,0|2,0,0]=4 4729 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CC 11a_100020588543_100000759886 [1,1,0,0,0,0|2,0,0]=4 4730 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CC 1626a_100020588543_100000759886 [1,1,0,0,0,0|2,0,0]=4 4731 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CC 240690a_100020588543_100000759886 [1,1,0,0,0,0|2,0,0]=4 4732 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CC 527a_100020588543_100000759886 [1,1,0,0,0,0|2,0,0]=4 4733 B17R0.12415 CCCCCCCCOCC(=O)NCC(O)CC 11a_100011218483_100000759886 [1,1,0,0,0,0|2,0,0]=4 4734 B17R0.12415 CCCCCCCCOCC(=O)NCC(O)CC 240690a_100011218483_100000759886 [1,1,0,0,0,0|2,0,0]=4 4735 B17R0.12415 CCCCCCCCOCC(=O)NCC(O)CC 527a_100011218483_100000759886 [1,1,0,0,0,0|2,0,0]=4 4736 B17R0.12416 CCC/C=C(\C)/C(=O)CCCCCCCCCC 1458a_200020648666_100000210319 [1,1,0,0,0,0|1,0,1]=4 4737 B17R0.12416 CCCCC(C)C(=O)CCCCCCCCCF 1458a_200009909015_200011215066 [1,1,0,0,0,0|2,0,0]=4 4738 B17R0.12416 CCCCC(C)C(=O)CCCCCCCCCO 1458a_100000725509_100009813782 [1,1,0,0,0,0|2,0,0]=4 4739 B17R0.12416 CCCCC(O)C(=O)CCCCCCCCCO 1458a_100000720857_100009813782 [1,1,0,0,0,0|2,0,0]=4 4740 B17R0.12416 CCCCCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210319 [1,1,0,0,0,0|2,0,0]=4 4741 B17R0.12416 CCCCCCCCCCC(=O)C(C)CCCC 1458a_100000210375_200011215066 [1,1,0,0,0,0|1,0,0]=3 4742 B17R0.12416 CCCCCCCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210319 [1,1,0,0,0,0|1,0,0]=3 4743 B17R0.12416 CCCCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210319 [1,1,0,0,0,0|1,0,0]=3 4744 B17R0.12416 CCCCCCCCCCC(=O)C(O)CCSC 1458a_100000685904_100000210319 [1,1,0,0,0,0|2,0,0]=4 4745 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCCC 11a_100000207549_100000210375 [1,1,0,0,0,0|1,0,0]=3 4746 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCCC 1626a_100000207549_100000210375 [1,1,0,0,0,0|1,0,0]=3 4747 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCCC 240690a_100000207549_100000210375 [1,1,0,0,0,0|1,0,0]=3 4748 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCCO 240690a_100000213112_100000210375 [1,1,0,0,0,0|2,0,0]=4 4749 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCOC 11a_100000743101_100000210375 [1,1,0,0,0,0|2,0,0]=4 4750 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCOC 1626a_100000743101_100000210375 [1,1,0,0,0,0|2,0,0]=4 4751 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCOC 240690a_100000743101_100000210375 [1,1,0,0,0,0|2,0,0]=4 4752 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCSC 11a_100000686725_100000210375 [1,1,0,0,0,0|2,0,0]=4 4753 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCSC 1626a_100000686725_100000210375 [1,1,0,0,0,0|2,0,0]=4 4754 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCSC 240690a_100000686725_100000210375 [1,1,0,0,0,0|2,0,0]=4 4755 B17R0.12416 CCCCCCCCCNC(=O)C(C)CCCC 11a_100000212291_100000725509 [1,1,0,0,0,0|2,0,0]=4 4756 B17R0.12416 CCCCCCCCCNC(=O)C(C)CCCC 1626a_100000212291_100000725509 [1,1,0,0,0,0|2,0,0]=4 4757 B17R0.12416 CCCCCCCCCNC(=O)C(C)CCCC 240690a_100000212291_100000725509 [1,1,0,0,0,0|2,0,0]=4 4758 B17R0.12416 CCCCCCCCCNC(=O)C(C)CCCC 527a_100000212291_100000725509 [1,1,0,0,0,0|2,0,0]=4 4759 B17R0.12416 CCCCCCCCCNC(=O)C(O)CCCC 240690a_100000212291_100000720857 [1,1,0,0,0,0|2,0,0]=4 4760 B17R0.12416 CCCCCCCCCNC(=O)C(O)CCCC 527a_100000212291_100000720857 [1,1,0,0,0,0|2,0,0]=4 4761 B17R0.12416 CCCCCCCCCNC(=O)N(C)CCCC 2708a_100000212291_100000207549 [1,1,0,0,0,0|2,0,0]=4 4762 B17R0.12416 CCCCCCCCCNC(=O)N(C)CCCC 273464a_100000212291_100000207549 [1,1,0,0,0,0|2,0,0]=4 4763 B17R0.12416 CCCCCCCCNCC(=O)N(C)CCCC 2230a_100000229939_100000230175 [1,1,0,0,0,0|2,0,0]=4 4764 B17R0.12416 CCCCCCCCNCC(=O)N(C)CCCC 34a_100000229939_100000230175 [1,1,0,0,0,0|2,0,0]=4 4765 B17R0.12416 CCCCCCCCOCC(=O)C(C)CCCC 1458a_100000759886_200011215066 [1,1,0,0,0,0|2,0,0]=4 4766 B17R0.12416 CCCCCCCCOCC(=O)N(C)CCCC 11a_100000207549_100000759886 [1,1,0,0,0,0|2,0,0]=4 4767 B17R0.12416 CCCCCCCCOCC(=O)N(C)CCCC 1626a_100000207549_100000759886 [1,1,0,0,0,0|2,0,0]=4 4768 B17R0.12416 CCCCCCCCOCC(=O)N(C)CCCC 240690a_100000207549_100000759886 [1,1,0,0,0,0|2,0,0]=4 4769 B17R0.12416 CCCCCCCCOCC(=O)N(C)CCCC 34a_100000210232_100000230175 [1,1,0,0,0,0|2,0,0]=4 4770 B17R0.12416 CCCCCCCCOCC(=O)N(C)CCCC 527a_100000207549_100000759886 [1,1,0,0,0,0|2,0,0]=4 4771 B17R0.12416 CCCCCCCCOCC(=O)N(C)CCCC 7a_100000210232_100000230175 [1,1,0,0,0,0|2,0,0]=4 4772 B17R0.12416 CCCCCCCCSCC(=O)N(C)CCCC 62a_100000210759_100000230175 [1,1,0,0,0,0|2,0,0]=4 4773 B17R0.12416 CCCCCCCCSCC(=O)N(C)CCCC 62a_100000230175_100000210317 [1,1,0,0,0,0|2,0,0]=4 4774 B17R0.12416 CCCCN(C)C(=O)CCCCCCCCCF 11a_100000207549_200009909015 [1,1,0,0,0,0|2,0,0]=4 4775 B17R0.12416 CCCCN(C)C(=O)CCCCCCCCCF 240690a_100000207549_200009909015 [1,1,0,0,0,0|2,0,0]=4 4776 B17R0.12416 CCCCN(C)C(=O)CCCCCCCCCF 527a_100000207549_200009909015 [1,1,0,0,0,0|2,0,0]=4 4777 B17R0.12416 CCCCN(C)C(=O)CCCCCCCCCO 240690a_100000207549_100000032657 [1,1,0,0,0,0|2,0,0]=4 4778 B17R0.14341 CCCCCCCCC(=O)CC(=O)CCCCC 1458a_100000210188_200012276598 [1,1,0,0,0,0|1,0,1]=4 4779 B17R0.14341 CCCCCCCCC(=O)CC(=O)NCCCC 1458a_100000210188_100000182744 [1,1,0,0,0,0|1,0,1]=4 4780 B17R0.14341 CCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000210188_100000211628 [1,1,0,0,0,0|0,0,1]=3 4781 B17R0.14341 CCCCCCCCC(=O)CC(=O)OCCOC 1458a_100000210188_200000040189 [1,1,0,0,0,0|1,0,1]=4 4782 B17R0.14341 CCCCCCCCN(C)CC(=O)CCCCC 2230a_100000207567_200012276598 [1,1,0,0,0,0|2,0,0]=4 4783 B17R0.14341 CCCCCCCCN(C)CC(=O)CCCCC 269982a_100000207567_200012276598 [1,1,0,0,0,0|2,0,0]=4 4784 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCCC 2230a_100000207567_100000182744 [1,1,0,0,0,0|2,0,0]=4 4785 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCCC 2230a_200000213093_100000210759 [1,1,0,0,0,0|2,0,0]=4 4786 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCCC 269982a_100000207567_100000182744 [1,1,0,0,0,0|2,0,0]=4 4787 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCCC 269982a_200000213093_100000210759 [1,1,0,0,0,0|2,0,0]=4 4788 B17R0.14341 CCCCCCCCN(C)CC(=O)OCCCC 2230a_100000207567_100000211628 [1,1,0,0,0,0|1,0,0]=3 4789 B17R0.14341 CCCCCCCCN(C)CC(=O)OCCCC 269982a_100000207567_100000211628 [1,1,0,0,0,0|1,0,0]=3 4790 B17R0.14341 CCCCCCCCN(C)CC(=O)OCCOC 2230a_100000207567_200000040189 [1,1,0,0,0,0|2,0,0]=4 4791 B17R0.14341 CCCCCCCCN(C)CC(=O)OCCOC 269982a_100000207567_200000040189 [1,1,0,0,0,0|2,0,0]=4 4792 B17R0.14341 CCCCOC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000211628 [1,1,0,0,0,0|1,0,1]=4 4793 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000210810_100000730704 [1,1,0,0,0,0|0,0,2]=4 4794 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000764851_100000759014 [1,1,0,0,0,0|0,0,2]=4 4795 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 7a_100000210810_100000730704 [1,1,0,0,0,0|0,0,2]=4 4796 B17R0.43 CC(Br)CCOCCCCCCCCCCCO 34a_100009893172_100009812471 [1,1,0,0,0,0|1,0,1]=4 4797 B17R0.43 CC(C)CCOCCCCCCCCCCCBr 34a_100009812471_100000210312 [1,1,0,0,0,0|1,0,1]=4 4798 B17R0.43 CC(C)CCOCCCCCCCCCCCBr 7a_100009812471_100000210626 [1,1,0,0,0,0|1,0,1]=4 4799 B17R0.43 CC(C)CCOCCCCCCCCCCCO 34a_100000210254_100009812471 [1,1,0,0,0,0|1,0,1]=4 4800 B17R0.43 CC(C)CCOCCCCCCCCCCCO 7a_100000210254_100009812471 [1,1,0,0,0,0|1,0,1]=4 4801 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 34a_100009812471_100012276601 [1,1,0,0,0,0|1,0,1]=4 4802 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 7a_100009812471_100012276601 [1,1,0,0,0,0|1,0,1]=4 4803 B17R0.43 CCCC/C=C/CCCCOCCCCC(C)C 34a_200020645093_100011216152 [1,1,0,0,0,0|2,0,0]=4 4804 B17R0.43 CCCC/C=C/CCCCOCCCCC(C)C 7a_200020645093_100011216152 [1,1,0,0,0,0|2,0,0]=4 4805 B17R0.43 CCCC/C=C\CCCCCCCCOC(C)C 34a_100020587526_100000210206 [1,1,0,0,0,0|2,0,0]=4 4806 B17R0.43 CCCC/C=C\CCCCCCCCOC(C)C 7a_100020587526_100000210206 [1,1,0,0,0,0|2,0,0]=4 4807 B17R0.43 CCCCCCCCCCCC=NNCC(C)O 4a_200000730056_100011218549 [1,1,0,0,0,0|2,0,0]=4 4808 B17R0.43 CCCCCCCCCCCCNCCC(C)C 2230a_100000210451_100000210312 [1,1,0,0,0,0|1,0,1]=4 4809 B17R0.43 CCCCCCCCCCCCNCCC(C)C 269862a_100000210451_100000185833 [1,1,0,0,0,0|1,0,1]=4 4810 B17R0.43 CCCCCCCCCCCCNCCC(C)C 270004a_100000210545_100011218549 [1,1,0,0,0,0|1,0,1]=4 4811 B17R0.43 CCCCCCCCCCCCNCCC(C)C 34a_100000210451_100000210312 [1,1,0,0,0,0|1,0,1]=4 4812 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_100000210451_100012276601 [1,1,0,0,0,0|1,0,1]=4 4813 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215052 [1,1,0,0,0,0|1,0,1]=4 4814 B17R0.43 CCCCCCCCCCCCNCCC(C)O 270004a_200000755665_100011218549 [1,1,0,0,0,0|1,0,1]=4 4815 B17R0.43 CCCCCCCCCCCCNCCC(C)O 34a_100000210451_100012276601 [1,1,0,0,0,0|1,0,1]=4 4816 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 34a_100000759926_100000759014 [1,1,0,0,0,0|0,0,2]=4 4817 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000210810_100000053229 [1,1,0,0,0,0|0,0,2]=4 4818 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000759926_100000759014 [1,1,0,0,0,0|0,0,2]=4 4819 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210254_100000759014 [1,1,0,0,0,0|0,0,1]=3 4820 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210810_100000210312 [1,1,0,0,0,0|0,0,1]=3 4821 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210254_100000759014 [1,1,0,0,0,0|0,0,1]=3 4822 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210810_100000210626 [1,1,0,0,0,0|0,0,1]=3 4823 B17R0.43 CCCCCCCCCCCCOCCC(C)O 34a_100000210810_100012276601 [1,1,0,0,0,0|0,0,1]=3 4824 B17R0.43 CCCCCCCCCCCCOCCC(C)O 7a_100000210810_100012276601 [1,1,0,0,0,0|0,0,1]=3 4825 B17R0.43 CCCCCCCCCCCCOCCC(F)F 34a_100103093639_100000759014 [1,1,0,0,0,0|1,0,1]=4 4826 B17R0.43 CCCCCCCCCCCCOCCN(C)C 7a_100000210810_100000755713 [1,1,0,0,0,0|1,0,1]=4 4827 B17R0.43 CCCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000759014 [1,1,0,0,0,0|0,0,1]=3 4828 B17R0.43 CCCCCCCCCCCCOCOC(C)C 34a_100000210810_100000709892 [1,1,0,0,0,0|1,0,1]=4 4829 B17R0.43 CCCCCCCCCCCCSCCC(C)O 62a_100012276601_100000759014 [1,1,0,0,0,0|0,1,1]=4 4830 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200000737386_100011215454 [1,1,0,0,0,0|2,0,0]=4 4831 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200011215754_100011214892 [1,1,0,0,0,0|2,0,0]=4 4832 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200000737386_100011215454 [1,1,0,0,0,0|2,0,0]=4 4833 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200011215754_100011214892 [1,1,0,0,0,0|2,0,0]=4 4834 B17R0.43 CCCCCCCCCCCNCCCC(C)O 2230a_200011215754_200000718107 [1,1,0,0,0,0|2,0,0]=4 4835 B17R0.43 CCCCCCCCCCCNCCCC(C)O 34a_200011215754_200000718107 [1,1,0,0,0,0|2,0,0]=4 4836 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210774_100011215454 [1,1,0,0,0,0|2,0,0]=4 4837 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210809_100011214892 [1,1,0,0,0,0|2,0,0]=4 4838 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210774_100011215454 [1,1,0,0,0,0|2,0,0]=4 4839 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210809_100011214892 [1,1,0,0,0,0|2,0,0]=4 4840 B17R0.43 CCCCCCCCCCCOCCCC(C)O 34a_100000210809_200000718107 [1,1,0,0,0,0|2,0,0]=4 4841 B17R0.43 CCCCCCCCCCCOCCCC(C)O 7a_100000210809_200000718107 [1,1,0,0,0,0|2,0,0]=4 4842 B17R0.43 CCCCCCCCCCCSCCCC(C)O 62a_200000718107_100011215454 [1,1,0,0,0,0|2,0,0]=4 4843 B17R0.43 CCCCOCCCCOCCCCCC(C)C 34a_200000760531_100000210682 [1,1,0,0,0,0|1,0,1]=4 4844 B17R0.43 CCCCOCCCCOCCCCCC(C)C 7a_200000760531_100000210682 [1,1,0,0,0,0|1,0,1]=4 4845 B17R0.43 CCCCOCCOCCCCCCCC(C)C 34a_200000210741_100000743108 [1,1,0,0,0,0|1,0,1]=4 4846 B17R0.43 CCCCOCCOCCCCCCCC(C)C 7a_200000210741_100000743108 [1,1,0,0,0,0|1,0,1]=4 4847 B17R0.43 CCOCCCCCCCCCOCCC(C)C 34a_100009875440_100000210312 [1,1,0,0,0,0|1,0,1]=4 4848 B17R0.43 CCOCCCCCCCCCOCCC(C)C 7a_100009875440_100000210626 [1,1,0,0,0,0|1,0,1]=4 4849 B17R0.43 CCOCCCCCCCCCOCCC(C)O 34a_100009875440_100012276601 [1,1,0,0,0,0|1,0,1]=4 4850 B17R0.43 CCOCCCCCCCCCOCCC(C)O 7a_100009875440_100012276601 [1,1,0,0,0,0|1,0,1]=4 4851 B17R0.43 C[C@@H](N)CCOCCCCCCCCCCCO 34a_100000706166_100009812471 [1,1,0,0,0,0|1,0,1]=4 4852 B17R0.104 CCCCCCCCC(C)COCOCCCC 34a_200012125181_100011995733 [1,1,0,0,0,0|1,0,1]=4 4853 B17R0.104 CCCCCCCCC(C)OCCOCCCC 34a_100000210740_100000743108 [1,1,0,0,0,0|1,0,1]=4 4854 B17R0.104 CCCCCCCCC(C)OCCOCCCC 7a_100000210740_100000743108 [1,1,0,0,0,0|1,0,1]=4 4855 B17R0.117 C#CCCCOCCCCCCCCCCCC 34a_100000210810_100000695029 [1,1,0,0,0,0|0,0,2]=4 4856 B17R0.117 C#CCCCOCCCCCCCCCCCC 34a_100000215630_100000759014 [1,1,0,0,0,0|0,0,2]=4 4857 B17R0.117 C#CCCCOCCCCCCCCCCCC 7a_100000210810_100011215417 [1,1,0,0,0,0|0,0,2]=4 4858 B17R0.117 C#CCCCOCCCCCCCCCCCC 7a_100000215630_100000759014 [1,1,0,0,0,0|0,0,2]=4 4859 B17R0.117 C/C=C/CCOCCCCCCCCCCCC 34a_100016278192_100000759014 [1,1,0,0,0,0|0,0,2]=4 4860 B17R0.117 CC#CCCOCCCCCCCCCCCC 34a_100000750427_100000759014 [1,1,0,0,0,0|0,0,2]=4 4861 B17R0.117 CC/C=C\COCCCCCCCCCCCC 34a_100000210810_100103147603 [1,1,0,0,0,0|0,0,2]=4 4862 B17R0.117 CC/C=C\COCCCCCCCCCCCC 34a_100016268518_100000759014 [1,1,0,0,0,0|0,0,2]=4 4863 B17R0.117 CC/C=C\COCCCCCCCCCCCC 7a_100000210810_100103147603 [1,1,0,0,0,0|0,0,2]=4 4864 B17R0.117 CCC#CCOCCCCCCCCCCCC 34a_100000032950_100000759014 [1,1,0,0,0,0|0,0,2]=4 4865 B17R0.117 CCC#CCOCCCCCCCCCCCC 34a_100000210810_100009813939 [1,1,0,0,0,0|0,0,2]=4 4866 B17R0.117 CCC#CCOCCCCCCCCCCCC 7a_100000210810_100009813939 [1,1,0,0,0,0|0,0,2]=4 4867 B17R0.117 CCCC/C=C/CCCCCCCCCCOC 34a_100020630369_200000210301 [1,1,0,0,0,0|1,0,0]=3 4868 B17R0.117 CCCC/C=C/CCCCCCCCCCOC 7a_100020630369_200000210301 [1,1,0,0,0,0|1,0,0]=3 4869 B17R0.117 CCCC/C=C/CCCCCCCCCCO[13CH3] 34a_100020630369_200025704644 [1,1,0,0,0,0|1,0,0]=3 4870 B17R0.117 CCCC/C=C/CCCCCCCCCCO[13CH3] 7a_100020630369_200025704644 [1,1,0,0,0,0|1,0,0]=3 4871 B17R0.117 CCCC/C=C/CCCCOCCCCCCC 34a_200020645093_100000210614 [1,1,0,0,0,0|1,0,0]=3 4872 B17R0.117 CCCC/C=C/CCCCOCCCCCCC 7a_200020645093_100000210614 [1,1,0,0,0,0|1,0,0]=3 4873 B17R0.117 CCCC/C=C/CCCCOCCCCCCF 34a_200020645093_100015922095 [1,1,0,0,0,0|2,0,0]=4 4874 B17R0.117 CCCC/C=C/CCCCOCCCCCCF 7a_200020645093_100015922095 [1,1,0,0,0,0|2,0,0]=4 4875 B17R0.117 CCCC/C=C/CCCCOCCCCCCO 34a_200020645093_100000766143 [1,1,0,0,0,0|2,0,0]=4 4876 B17R0.117 CCCC/C=C/CCCCOCCCCCCO 7a_200020645093_100000766143 [1,1,0,0,0,0|2,0,0]=4 4877 B17R0.117 CCCC/C=C/CCCCOCCOCCCC 34a_200020645093_100000743108 [1,1,0,0,0,0|2,0,0]=4 4878 B17R0.117 CCCC/C=C/CCCCOCCOCCCC 7a_200020645093_100000743108 [1,1,0,0,0,0|2,0,0]=4 4879 B17R0.117 CCCC/C=C/COCCCCCCCCCC 34a_200016272032_100000210320 [1,1,0,0,0,0|1,0,0]=3 4880 B17R0.117 CCCC/C=C/COCCCCCCCCCC 7a_200016272032_100000210320 [1,1,0,0,0,0|1,0,0]=3 4881 B17R0.117 CCCC/C=C/COCCCCCCCCCO 34a_200016272032_100009813782 [1,1,0,0,0,0|2,0,0]=4 4882 B17R0.117 CCCC/C=C/COCCCCCCCCCO 7a_200016272032_100009813782 [1,1,0,0,0,0|2,0,0]=4 4883 B17R0.117 CCCC/C=C\CCCCCCCCCCNC 269862a_106832991636_100016995166 [1,1,0,0,0,0|1,0,0]=3 4884 B17R0.117 CCCC/C=C\CCCCCCCCOCCC 34a_100020587526_100000210303 [1,1,0,0,0,0|1,0,0]=3 4885 B17R0.117 CCCC/C=C\CCCCCCCCOCCC 7a_100020587526_100000210303 [1,1,0,0,0,0|1,0,0]=3 4886 B17R0.117 CCCC/C=C\CCCCCCCCOCCF 34a_100020587526_100011217306 [1,1,0,0,0,0|2,0,0]=4 4887 B17R0.117 CCCC/C=C\CCCCCCCCOCCF 7a_100020587526_100011217306 [1,1,0,0,0,0|2,0,0]=4 4888 B17R0.117 CCCC/C=C\CCCCCCCCOCCO 34a_100020587526_100000211926 [1,1,0,0,0,0|2,0,0]=4 4889 B17R0.117 CCCC/C=C\CCCCCCCCOCCO 7a_100020587526_100000211926 [1,1,0,0,0,0|2,0,0]=4 4890 B17R0.117 CCCC/C=C\CCCCCCCCOCSC 34a_100020587526_100011218213 [1,1,0,0,0,0|2,0,0]=4 4891 B17R0.117 CCCC/C=C\CCOCCCCCCCCC 34a_200016286491_100011214924 [1,1,0,0,0,0|1,0,0]=3 4892 B17R0.117 CCCC/C=C\CCOCCCCCCCCC 7a_200016286491_100000210328 [1,1,0,0,0,0|1,0,0]=3 4893 B17R0.117 CCCC/C=C\CCOCCCCCCCCO 34a_200016286491_100000033203 [1,1,0,0,0,0|2,0,0]=4 4894 B17R0.117 CCCC/C=C\CCOCCCCCCCCO 7a_200016286491_100000033203 [1,1,0,0,0,0|2,0,0]=4 4895 B17R0.117 CCCCC#CCCCCCCNCCCCC 2230a_100000209983_200000043322 [1,1,0,0,0,0|1,0,1]=4 4896 B17R0.117 CCCCC#CCCCCCCOCCCCC 34a_100000210253_200000043322 [1,1,0,0,0,0|1,0,1]=4 4897 B17R0.117 CCCCC#CCCCCCCOCCCCC 7a_100000210253_200000043322 [1,1,0,0,0,0|1,0,1]=4 4898 B17R0.117 CCCCC#CCCCCOCCCCCCC 34a_200000066234_100000210614 [1,1,0,0,0,0|1,0,1]=4 4899 B17R0.117 CCCCC#CCCCCOCCCCCCC 7a_200000066234_100000210614 [1,1,0,0,0,0|1,0,1]=4 4900 B17R0.117 CCCCC#CCCCNCCCCCCCC 2230a_100000229939_200000047210 [1,1,0,0,0,0|1,0,1]=4 4901 B17R0.117 CCCCC#CCCCNCCCCCCCC 34a_100000229939_200000047210 [1,1,0,0,0,0|1,0,1]=4 4902 B17R0.117 CCCCC#CCCCOCCCCCCCC 34a_100000210232_200000047210 [1,1,0,0,0,0|1,0,1]=4 4903 B17R0.117 CCCCC#CCCCOCCCCCCCC 7a_100000210232_200000047210 [1,1,0,0,0,0|1,0,1]=4 4904 B17R0.117 CCCCC#CCCOCCCCCCCCC 34a_100000037610_100011214924 [1,1,0,0,0,0|1,0,1]=4 4905 B17R0.117 CCCCC#CCCOCCCCCCCCC 7a_100000037610_100000210328 [1,1,0,0,0,0|1,0,1]=4 4906 B17R0.117 CCCCC#CCOCCCCCCCCCC 34a_200000034558_100000210320 [1,1,0,0,0,0|1,0,1]=4 4907 B17R0.117 CCCCC#CCOCCCCCCCCCC 7a_200000034558_100000210320 [1,1,0,0,0,0|1,0,1]=4 4908 B17R0.117 CCCCC/C=C/COCCCCCCCCC 34a_100016258190_100011214924 [1,1,0,0,0,0|1,0,1]=4 4909 B17R0.117 CCCCC/C=C/COCCCCCCCCC 7a_100016258190_100000210328 [1,1,0,0,0,0|1,0,1]=4 4910 B17R0.117 CCCCC/C=C\CCCOCCCCCCC 34a_100020655193_100000210614 [1,1,0,0,0,0|1,0,1]=4 4911 B17R0.117 CCCCC/C=C\CCCOCCCCCCC 7a_100020655193_100000210614 [1,1,0,0,0,0|1,0,1]=4 4912 B17R0.117 CCCCC/C=C\CCOCCCCCCCC 34a_100016277358_100000210759 [1,1,0,0,0,0|1,0,1]=4 4913 B17R0.117 CCCCC/C=C\CCOCCCCCCCC 7a_100016277358_100000210759 [1,1,0,0,0,0|1,0,1]=4 4914 B17R0.117 CCCCCCCCCC/C=C/COCCCC 34a_200025761149_100000210210 [1,1,0,0,0,0|0,0,1]=3 4915 B17R0.117 CCCCCCCCCC/C=C/COCCCC 7a_200025761149_100000210211 [1,1,0,0,0,0|0,0,1]=3 4916 B17R0.117 CCCCCCCCCC/C=C/COCCCF 34a_200025761149_100011934791 [1,1,0,0,0,0|1,0,1]=4 4917 B17R0.117 CCCCCCCCCC/C=C/COCCCF 7a_200025761149_100011934791 [1,1,0,0,0,0|1,0,1]=4 4918 B17R0.117 CCCCCCCCCC/C=C/COCCCO 34a_200025761149_100000230001 [1,1,0,0,0,0|1,0,1]=4 4919 B17R0.117 CCCCCCCCCC/C=C/COCCCO 7a_200025761149_100011215043 [1,1,0,0,0,0|1,0,1]=4 4920 B17R0.117 CCCCCCCCCC/C=C/COCCOC 34a_200025761149_100011201679 [1,1,0,0,0,0|1,0,1]=4 4921 B17R0.117 CCCCCCCCCC/C=C/COCCOC 7a_200025761149_100000233755 [1,1,0,0,0,0|1,0,1]=4 4922 B17R0.117 CCCCCCCCCC/C=C/COCCSC 34a_200025761149_100000212216 [1,1,0,0,0,0|1,0,1]=4 4923 B17R0.117 CCCCCCCCCC/C=C/COCCSC 7a_200025761149_100000212216 [1,1,0,0,0,0|1,0,1]=4 4924 B17R0.117 CCCCCCCCCCCC=NNCCCC 4a_100025702795_100011218549 [1,1,0,0,0,0|1,0,0]=3 4925 B17R0.117 CCCCCCCCCCCCC=NNCCC 4a_100000740057_200011215488 [1,1,0,0,0,0|2,0,0]=4 4926 B17R0.117 CCCCCCCCCCCCOCCCC#N 7a_100000210810_100000687738 [1,1,0,0,0,0|0,0,2]=4 4927 B17R0.195 CCC(C)COCCCCCCCCCCCBr 34a_100009812471_100000748023 [1,1,0,0,0,0|1,0,1]=4 4928 B17R0.195 CCC(C)COCCCCCCCCCCCBr 7a_100009812471_100000748023 [1,1,0,0,0,0|1,0,1]=4 4929 B17R0.195 CCC(O)COCCCCCCCCCCCBr 34a_100009812471_100011218378 [1,1,0,0,0,0|1,0,1]=4 4930 B17R0.195 CCC(O)COCCCCCCCCCCCBr 7a_100009812471_100011218378 [1,1,0,0,0,0|1,0,1]=4 4931 B17R0.195 CCCCCCCCCCCC=NNC(C)CC 4a_100000718999_100011218549 [1,1,0,0,0,0|2,0,0]=4 4932 B17R0.195 CCCCCCCCCCCCNCC(C)CC 2230a_100000210451_100000748023 [1,1,0,0,0,0|1,0,1]=4 4933 B17R0.195 CCCCCCCCCCCCNCC(C)CC 2230a_100020588543_100011215052 [1,1,0,0,0,0|1,0,1]=4 4934 B17R0.195 CCCCCCCCCCCCNCC(C)CC 270004a_100000210451_100000243153 [1,1,0,0,0,0|1,0,1]=4 4935 B17R0.195 CCCCCCCCCCCCNCC(C)CC 270004a_100020588543_100011218549 [1,1,0,0,0,0|1,0,1]=4 4936 B17R0.195 CCCCCCCCCCCCNCC(C)CC 34a_100000210451_100000748023 [1,1,0,0,0,0|1,0,1]=4 4937 B17R0.195 CCCCCCCCCCCCNCC(O)CC 2230a_100000210451_100011218378 [1,1,0,0,0,0|1,0,1]=4 4938 B17R0.195 CCCCCCCCCCCCNCC(O)CC 2230a_100011218483_100011215052 [1,1,0,0,0,0|1,0,1]=4 4939 B17R0.195 CCCCCCCCCCCCNCC(O)CC 270004a_100011218483_100011218549 [1,1,0,0,0,0|1,0,1]=4 4940 B17R0.195 CCCCCCCCCCCCNCC(O)CC 34a_100000210451_100011218378 [1,1,0,0,0,0|1,0,1]=4 4941 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CC 2230a_100000210451_100009816398 [1,1,0,0,0,0|1,0,1]=4 4942 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CC 34a_100000210451_100009816398 [1,1,0,0,0,0|1,0,1]=4 4943 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 34a_100000725409_100000759014 [1,1,0,0,0,0|0,0,2]=4 4944 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 7a_100000210810_100000747405 [1,1,0,0,0,0|0,0,2]=4 4945 B17R0.195 CCCCCCCCCCCCOCC(C)CC 34a_100000210810_100000748023 [1,1,0,0,0,0|0,0,1]=3 4946 B17R0.195 CCCCCCCCCCCCOCC(C)CC 7a_100000210810_100000748023 [1,1,0,0,0,0|0,0,1]=3 4947 B17R0.195 CCCCCCCCCCCCOCC(C)CN 34a_100000744482_100000759014 [1,1,0,0,0,0|1,0,1]=4 4948 B17R0.195 CCCCCCCCCCCCOCC(C)OC 34a_100000690652_100000759014 [1,1,0,0,0,0|1,0,1]=4 4949 B17R0.195 CCCCCCCCCCCCOCC(Cl)CCl 34a_100000033668_100000759014 [1,1,0,0,0,0|1,0,1]=4 4950 B17R0.195 CCCCCCCCCCCCOCC(O)CC 34a_100000210810_100011218378 [1,1,0,0,0,0|0,0,1]=3 4951 B17R0.195 CCCCCCCCCCCCOCC(O)CC 7a_100000210810_100011218378 [1,1,0,0,0,0|0,0,1]=3 4952 B17R0.195 CCCCCCCCCCCCOCC(O)CO 34a_100000210810_100011219619 [1,1,0,0,0,0|1,0,1]=4 4953 B17R0.195 CCCCCCCCCCCCOCC(O)CO 7a_100000210810_100011219619 [1,1,0,0,0,0|1,0,1]=4 4954 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 34a_100000210810_100009816398 [1,1,0,0,0,0|0,0,1]=3 4955 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 7a_100000210810_100009816398 [1,1,0,0,0,0|0,0,1]=3 4956 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000759014 [1,1,0,0,0,0|0,0,1]=3 4957 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 34a_100000210810_100000059175 [1,1,0,0,0,0|1,0,1]=4 4958 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 7a_100000210810_100000059175 [1,1,0,0,0,0|1,0,1]=4 4959 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CF 34a_100000210810_100015614560 [1,1,0,0,0,0|1,0,1]=4 4960 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CF 7a_100000210810_100015614560 [1,1,0,0,0,0|1,0,1]=4 4961 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 34a_100000210810_100009815848 [1,1,0,0,0,0|1,0,1]=4 4962 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 7a_100000210810_100009815848 [1,1,0,0,0,0|1,0,1]=4 4963 B17R0.195 CCCCCCCCCCCCOC[C@H](F)CN 34a_100015665980_100000759014 [1,1,0,0,0,0|1,0,1]=4 4964 B17R0.195 CCCCCCCCCCCCSCC(O)CC 62a_100011218378_100000759014 [1,1,0,0,0,0|0,1,1]=4 4965 B17R0.195 CCCCCCCCCCCNCCC(C)CC 2230a_100020591266_100011215454 [1,1,0,0,0,0|2,0,0]=4 4966 B17R0.195 CCCCCCCCCCCOCCC(C)CC 7a_100011215188_100011215454 [1,1,0,0,0,0|2,0,0]=4 4967 B17R0.195 CCOCCCCCCCCCOCC(C)CC 34a_100009875440_100000748023 [1,1,0,0,0,0|1,0,1]=4 4968 B17R0.195 CCOCCCCCCCCCOCC(C)CC 7a_100009875440_100000748023 [1,1,0,0,0,0|1,0,1]=4 4969 B17R0.195 CCOCCCCCCCCCOCC(O)CC 34a_100009875440_100011218378 [1,1,0,0,0,0|1,0,1]=4 4970 B17R0.195 CCOCCCCCCCCCOCC(O)CC 7a_100009875440_100011218378 [1,1,0,0,0,0|1,0,1]=4 4971 B17R0.195 CCOCCCCCCCCCOC[C@@H](C)CC 34a_100009875440_100009816398 [1,1,0,0,0,0|1,0,1]=4 4972 B17R0.195 CCOCCCCCCCCCOC[C@@H](C)CC 7a_100009875440_100009816398 [1,1,0,0,0,0|1,0,1]=4 4973 B17R0.195 CC[C@H](C)COCCCCCCCCCCCBr 34a_100009812471_100009816398 [1,1,0,0,0,0|1,0,1]=4 4974 B17R0.195 CC[C@H](C)COCCCCCCCCCCCBr 7a_100009812471_100009816398 [1,1,0,0,0,0|1,0,1]=4 4975 B17R0.195 CC[C@H](C)COCCCCCCCCCCCO 7a_100009816381_100009812471 [1,1,0,0,0,0|1,0,1]=4 4976 B17R0.196 CCCCCCCCCCCCN(C)CCCC 2230a_100000207549_100011215052 [1,1,0,0,0,0|1,0,1]=4 4977 B17R0.196 CCCCCCCCCCCCN(C)CCCC 2230a_100000227908_100000210211 [1,1,0,0,0,0|1,0,1]=4 4978 B17R0.196 CCCCCCCCCCCCN(C)CCCC 269982a_100000207549_100000759014 [1,1,0,0,0,0|1,0,1]=4 4979 B17R0.196 CCCCCCCCCCCCN(C)CCCC 269982a_100000227908_100000210211 [1,1,0,0,0,0|1,0,1]=4 4980 B17R0.196 CCCCCCCCCCCCN(C)CCCC 270004a_100000207549_100011218549 [1,1,0,0,0,0|1,0,1]=4 4981 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 11a_200011215754_100000210183 [1,1,0,0,0,0|2,0,0]=4 4982 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 1626a_200011215754_100000210183 [1,1,0,0,0,0|2,0,0]=4 4983 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 240690a_200011215754_100000210183 [1,1,0,0,0,0|2,0,0]=4 4984 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 527a_200011215754_100000210183 [1,1,0,0,0,0|2,0,0]=4 4985 B17R0.196 CCCCCCCCCCCNC(C)CCCC 2230a_100000126638_100011215454 [1,1,0,0,0,0|2,0,0]=4 4986 B17R0.196 CCCCCCCCCCCNC(C)CCCC 2230a_200011215754_200011215066 [1,1,0,0,0,0|2,0,0]=4 4987 B17R0.196 CCCCCCCCCCCNC(C)CCCC 270004a_200011215754_100000210087 [1,1,0,0,0,0|2,0,0]=4 4988 B17R0.196 CCCCCCCCCCCNC(C)CCCC 34a_200011215754_200011215066 [1,1,0,0,0,0|2,0,0]=4 4989 B17R0.196 CCCCOCCOCCCCC(C)CCCC 34a_200011021034_100000743108 [1,1,0,0,0,0|1,0,1]=4 4990 B17R0.196 CCCCOCCOCCCCC(C)CCCC 7a_200011021034_100000743108 [1,1,0,0,0,0|1,0,1]=4 4991 B17R0.250 CCCC(C)OCCCCCCCCCCCO 34a_100000764384_100009812471 [1,1,0,0,0,0|1,0,1]=4 4992 B17R0.250 CCCC(C)OCCCCCCCCCCCO 7a_100000764384_100009812471 [1,1,0,0,0,0|1,0,1]=4 4993 B17R0.250 CCCC(C)OCCCCCCCCCOCC 34a_100009875440_100000766640 [1,1,0,0,0,0|1,0,1]=4 4994 B17R0.250 CCCC(C)OCCCCCCCCCOCC 7a_100009875440_100000766640 [1,1,0,0,0,0|1,0,1]=4 4995 B17R0.250 CCCCCCCCCCCCNC(C)CCC 2230a_100000210451_100000766640 [1,1,0,0,0,0|1,0,1]=4 4996 B17R0.250 CCCCCCCCCCCCNC(C)CCC 2230a_100000741246_100011215052 [1,1,0,0,0,0|1,0,1]=4 4997 B17R0.250 CCCCCCCCCCCCNC(C)CCC 270004a_100000210451_100000211909 [1,1,0,0,0,0|1,0,1]=4 4998 B17R0.250 CCCCCCCCCCCCNC(C)CCC 270004a_100000741246_100011218549 [1,1,0,0,0,0|1,0,1]=4 4999 B17R0.250 CCCCCCCCCCCCNC(C)CCC 34a_100000210451_100000766640 [1,1,0,0,0,0|1,0,1]=4 5000 B17R0.250 CCCCCCCCCCCCOC(C)CCO 34a_100000210810_100009893172 [1,1,0,0,0,0|1,0,1]=4 5001 B17R0.250 CCCCCCCCCCCCOC(C)CCO 7a_100000210810_100009893172 [1,1,0,0,0,0|1,0,1]=4 5002 B17R0.250 CCCCCCCCCCCCOC(C)COC 34a_100000210810_100000765312 [1,1,0,0,0,0|1,0,1]=4 5003 B17R0.250 CCCCCCCCCCCCOC(C)COC 7a_100000210810_100000765312 [1,1,0,0,0,0|1,0,1]=4 5004 B17R0.250 CCCCCCCCCCCCO[C@H](C)COC 34a_100011934205_100000759014 [1,1,0,0,0,0|1,0,1]=4 5005 B17R0.250 CCCCCCCCCCCNCC(C)CCC 2230a_200011215754_100011216630 [1,1,0,0,0,0|2,0,0]=4 5006 B17R0.250 CCCCCCCCCCCNCC(C)CCC 270004a_200011215754_100000243154 [1,1,0,0,0,0|2,0,0]=4 5007 B17R0.250 CCCCCCCCCCCNCC(C)CCC 34a_200011215754_100011216630 [1,1,0,0,0,0|2,0,0]=4 5008 B17R0.250 CCCCCCCCCCCOCC(C)CCC 34a_100000210809_100011216630 [1,1,0,0,0,0|2,0,0]=4 5009 B17R0.250 CCCCCCCCCCCOCC(C)CCC 34a_100000688023_100011215454 [1,1,0,0,0,0|2,0,0]=4 5010 B17R0.250 CCCCCCCCCCCOCC(C)CCC 7a_100000210809_100011216630 [1,1,0,0,0,0|2,0,0]=4 5011 B17R0.250 CCCCCCCCCCCOCC(C)CCC 7a_100000688023_100011215454 [1,1,0,0,0,0|2,0,0]=4 5012 B17R0.250 CCCCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011215454 [1,1,0,0,0,0|2,0,0]=4 5013 B17R0.8809 CCCC/C=C/CC(=O)CCCCCCCCC 1458a_200016282684_100000210670 [1,1,0,0,0,0|1,0,1]=4 5014 B17R0.8809 CCCC/C=C\CCOC(C)CCCCCCC 34a_200016286491_200011218727 [1,1,0,0,0,0|2,0,0]=4 5015 B17R0.8809 CCCC/C=C\CCOC(C)CCCCCCC 7a_200016286491_200011218727 [1,1,0,0,0,0|2,0,0]=4 5016 B17R0.8809 CCCCCCCC(C)NCCCOCCCC 2230a_200000211371_200011218727 [1,1,0,0,0,0|1,0,1]=4 5017 B17R0.8809 CCCCCCCC(C)NCCCOCCCC 270004a_200000211371_100000210596 [1,1,0,0,0,0|1,0,1]=4 5018 B17R0.8809 CCCCCCCC(C)NCCCOCCCC 34a_200000211371_200011218727 [1,1,0,0,0,0|1,0,1]=4 5019 B17R0.8809 CCCCCCCC(C)OCCCOCCCC 34a_200011215613_200011218727 [1,1,0,0,0,0|1,0,1]=4 5020 B17R0.8809 CCCCCCCC(C)OCCCOCCCC 7a_200011215613_200011218727 [1,1,0,0,0,0|1,0,1]=4 5021 B17R0.8809 CCCCCCCCCC(=O)CCOCCCC 1458a_100000210558_100000743108 [1,1,0,0,0,0|0,0,2]=4 5022 B17R0.8809 CCCCCCCCCC(C)CNCCCCC 270004a_100000209983_200011218516 [1,1,0,0,0,0|2,0,0]=4 5023 B17R0.8809 CCCCCCCCCC(C)OCOCCCC 34a_100011218016_100011995733 [1,1,0,0,0,0|1,0,1]=4 5024 B17R0.8809 CCCCCCCCCN(C)CCOCCCC 2230a_100000232482_100000743108 [1,1,0,0,0,0|1,0,1]=4 5025 B17R0.8809 CCCCCCCCCN(C)CCOCCCC 269982a_100000232482_100000743108 [1,1,0,0,0,0|1,0,1]=4 5026 B17R0.90 CCCCC(=O)CCCCCCCC(=O)OCC 1458a_100000210183_100009991516 [1,1,0,0,0,0|1,0,1]=4 5027 B17R0.90 CCCNC(=O)CCCOCCCC(C)CCC 7a_100011713154_100011194427 [1,1,0,0,0,0|2,0,0]=4 5028 B17R0.170 CCCNC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100011194427 [1,1,0,0,0,0|2,0,0]=4 5029 B17R0.170 CCCNC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011194427 [1,1,0,0,0,0|2,0,0]=4 5030 B17R0.170 CCCNC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011194427 [1,1,0,0,0,0|2,0,0]=4 5031 B17R0.170 CCCNC(=O)CCCSCCCCCC(C)C 62a_100011194427_100000210682 [1,1,0,0,0,0|2,0,0]=4 5032 B17R0.170 CCCNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000183358 [1,1,0,0,0,0|2,0,0]=4 5033 B17R0.170 CCCNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000183358 [1,1,0,0,0,0|2,0,0]=4 5034 B17R0.170 CCCOC(=O)COCCCCCCCC(C)C 34a_200000210741_200011215008 [1,1,0,0,0,0|1,0,0]=3 5035 B17R0.170 CCCOC(=O)COCCCCCCCC(C)C 7a_200000210741_200011215008 [1,1,0,0,0,0|1,0,0]=3 5036 B17R0.170 CCCOC(=O)OCNCCCCCCC(C)C 34a_100000211014_200000139673 [1,1,0,0,0,0|2,0,0]=4 5037 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000730704 [1,1,0,0,0,0|0,0,1]=3 5038 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_200000688413_100011215454 [1,1,0,0,0,0|0,0,1]=3 5039 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCO 1458a_200000688413_100009813290 [1,1,0,0,0,0|1,0,1]=4 5040 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 11a_100000684558_200000688413 [1,1,0,0,0,0|1,0,1]=4 5041 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 1626a_100000684558_200000688413 [1,1,0,0,0,0|1,0,1]=4 5042 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 240690a_100000684558_200000688413 [1,1,0,0,0,0|1,0,1]=4 5043 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 527a_100000684558_200000688413 [1,1,0,0,0,0|1,0,1]=4 5044 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 11a_100000765925_100000210736 [1,1,0,0,0,0|1,0,1]=4 5045 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 1626a_100000765925_100000210736 [1,1,0,0,0,0|1,0,1]=4 5046 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 240690a_100000765925_100000210736 [1,1,0,0,0,0|1,0,1]=4 5047 B17R0.192 C=CCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100009814027 [1,1,0,0,0,0|0,0,2]=4 5048 B17R0.192 CC(C)CCC(=O)CCCCCCCCCCO 1458a_100000181311_100009813290 [1,1,0,0,0,0|1,0,0]=3 5049 B17R0.192 CC(C)CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000181311 [1,1,0,0,0,0|2,0,0]=4 5050 B17R0.192 CC(C)CNC(=O)CCCCCCCCCCO 240690a_100000210953_200000016029 [1,1,0,0,0,0|2,0,0]=4 5051 B17R0.192 CC(C)OCC(=O)CCCCCCCCCCO 1458a_100000745533_100009813290 [1,1,0,0,0,0|2,0,0]=4 5052 B17R0.192 CC(C)SCC(=O)CCCCCCCCCCO 1458a_100000241585_100009813290 [1,1,0,0,0,0|2,0,0]=4 5053 B17R0.192 CC(O)CNC(=O)CCCCCCCCCCO 240690a_100000210904_200000016029 [1,1,0,0,0,0|2,0,0]=4 5054 B17R0.192 CCCCCCCCCC=CC(=O)CCC(C)C 1458a_200015352897_100000210312 [1,1,0,0,0,0|0,0,2]=4 5055 B17R0.192 CCCCCCCCCC=CC(=O)CCC(C)O 1458a_200015352897_100012276601 [1,1,0,0,0,0|0,0,2]=4 5056 B17R0.192 CCCCCCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100011215454 [1,1,0,0,0,0|0,0,2]=4 5057 B17R0.192 CCCCCCCCCCCC(=O)CC=C(C)C 1458a_100000210736_100000761012 [1,1,0,0,0,0|0,0,2]=4 5058 B17R0.192 CCCCCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100011215454 [1,1,0,0,0,0|0,0,2]=4 5059 B17R0.192 CCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215454 [1,1,0,0,0,0|1,0,1]=4 5060 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100011215454 [1,1,0,0,0,0|0,0,0]=2 5061 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)C 1458a_100000210736_100000210312 [1,1,0,0,0,0|0,0,0]=2 5062 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)O 1458a_100000210736_100012276601 [1,1,0,0,0,0|0,0,0]=2 5063 B17R0.192 CCCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215454 [1,1,0,0,0,0|2,0,0]=4 5064 B17R0.192 CCCCCCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100011215454 [1,1,0,0,0,0|1,0,0]=3 5065 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100011215454 [1,1,0,0,0,0|1,0,1]=4 5066 B17R0.192 CCCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011215454 [1,1,0,0,0,0|1,0,1]=4 5067 B17R0.192 CCCCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100011215454 [1,1,0,0,0,0|1,0,0]=3 5068 B17R0.192 CCCCCCCCCCCC(=O)COC(F)F 1458a_200000719455_100011215454 [1,1,0,0,0,0|2,0,0]=4 5069 B17R0.192 CCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100011215454 [1,1,0,0,0,0|1,0,1]=4 5070 B17R0.192 CCCCCCCCCCCC(=O)CSC(C)C 1458a_100000241585_100011215454 [1,1,0,0,0,0|1,0,0]=3 5071 B17R0.192 CCCCCCCCCCCC(=O)CSC(F)F 1458a_114828291038_100011215454 [1,1,0,0,0,0|2,0,0]=4 5072 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)C 1458a_100001278556_200000210301 [1,1,0,0,0,0|1,0,1]=4 5073 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100001278556_200025704644 [1,1,0,0,0,0|1,0,1]=4 5074 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 11a_100000210953_100000210736 [1,1,0,0,0,0|1,0,0]=3 5075 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000210736 [1,1,0,0,0,0|1,0,0]=3 5076 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000210736 [1,1,0,0,0,0|1,0,0]=3 5077 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000210736 [1,1,0,0,0,0|1,0,0]=3 5078 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000210736 [1,1,0,0,0,0|1,0,0]=3 5079 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 11a_100000765723_100000210736 [1,1,0,0,0,0|2,0,0]=4 5080 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 1626a_100000765723_100000210736 [1,1,0,0,0,0|2,0,0]=4 5081 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 240690a_100000765723_100000210736 [1,1,0,0,0,0|2,0,0]=4 5082 B17R0.192 CCCCCCCCCCCC(=O)NNC(C)C 22a_100000741168_100000210736 [1,1,0,0,0,0|2,0,0]=4 5083 B17R0.192 CCCCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100020644155 [1,1,0,0,0,0|0,0,1]=3 5084 B17R0.192 CCCCCCCCCCCC(=O)OCN(C)C 2230a_100102631434_100020644155 [1,1,0,0,0,0|1,0,0]=3 5085 B17R0.192 CCCCCCCCCCCC(=O)OCN(C)C 269982a_100102631434_100020644155 [1,1,0,0,0,0|1,0,0]=3 5086 B17R0.192 CCCCCCCCCCCC(C)OCC(C)C 34a_100011217895_100000210624 [1,1,0,0,0,0|1,0,1]=4 5087 B17R0.192 CCCCCCCCCCCC(C)OCC(C)C 7a_100011217895_100000210760 [1,1,0,0,0,0|1,0,1]=4 5088 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 34a_100011217895_100011218427 [1,1,0,0,0,0|1,0,1]=4 5089 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 7a_100011217895_100011218427 [1,1,0,0,0,0|1,0,1]=4 5090 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 34a_100011217895_100009817552 [1,1,0,0,0,0|1,0,1]=4 5091 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 7a_100011217895_100009817552 [1,1,0,0,0,0|1,0,1]=4 5092 B17R0.192 CCCCCCCCCCCN(C)CCC(C)C 2230a_100000742789_100011215454 [1,1,0,0,0,0|2,0,0]=4 5093 B17R0.192 CCCCCCCCCCCN(C)CCC(C)C 269982a_100000742789_100011215454 [1,1,0,0,0,0|2,0,0]=4 5094 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 11a_100000684558_100000181311 [1,1,0,0,0,0|1,0,0]=3 5095 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 1626a_100000684558_100000181311 [1,1,0,0,0,0|1,0,0]=3 5096 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 240690a_100000684558_100000181311 [1,1,0,0,0,0|1,0,0]=3 5097 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 527a_100000684558_100000181311 [1,1,0,0,0,0|1,0,0]=3 5098 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)O 1626a_100000684558_100000718519 [1,1,0,0,0,0|1,0,0]=3 5099 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C 11a_100000684558_100000689311 [1,1,0,0,0,0|2,0,0]=4 5100 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C 240690a_100000684558_100000689311 [1,1,0,0,0,0|2,0,0]=4 5101 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C 527a_100000684558_100000689311 [1,1,0,0,0,0|2,0,0]=4 5102 B17R0.192 CCCCCCCCCCNC(=O)CC[S+](C)C 11a_100000684558_100009452791 [1,1,0,0,0,0|2,0,0]=4 5103 B17R0.192 CCCCCCCCCCNC(=O)CC[S+](C)C 1626a_100000684558_100009452791 [1,1,0,0,0,0|2,0,0]=4 5104 B17R0.192 CCCCCCCCCCNC(=O)CC[S+](C)C 240690a_100000684558_100009452791 [1,1,0,0,0,0|2,0,0]=4 5105 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 11a_100000684558_100000745533 [1,1,0,0,0,0|2,0,0]=4 5106 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 1626a_100000684558_100000745533 [1,1,0,0,0,0|2,0,0]=4 5107 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 240690a_100000684558_100000745533 [1,1,0,0,0,0|2,0,0]=4 5108 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 527a_100000684558_100000745533 [1,1,0,0,0,0|2,0,0]=4 5109 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 11a_100000684558_100000241585 [1,1,0,0,0,0|2,0,0]=4 5110 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 1626a_100000684558_100000241585 [1,1,0,0,0,0|2,0,0]=4 5111 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 240690a_100000684558_100000241585 [1,1,0,0,0,0|2,0,0]=4 5112 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 527a_100000684558_100000241585 [1,1,0,0,0,0|2,0,0]=4 5113 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 2708a_100000210953_100000684558 [1,1,0,0,0,0|2,0,0]=4 5114 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 2708a_100000684558_100000210953 [1,1,0,0,0,0|2,0,0]=4 5115 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 273464a_100000210953_100000684558 [1,1,0,0,0,0|2,0,0]=4 5116 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 273464a_100000684558_100000210953 [1,1,0,0,0,0|2,0,0]=4 5117 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 512a_100000210953_100000684558 [1,1,0,0,0,0|2,0,0]=4 5118 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 512a_100000684558_100000210953 [1,1,0,0,0,0|2,0,0]=4 5119 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 2708a_100000684558_100000210904 [1,1,0,0,0,0|2,0,0]=4 5120 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 273464a_100000210904_100000684558 [1,1,0,0,0,0|2,0,0]=4 5121 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 273464a_100000684558_100000210904 [1,1,0,0,0,0|2,0,0]=4 5122 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 512a_100000210904_100000684558 [1,1,0,0,0,0|2,0,0]=4 5123 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 512a_100000684558_100000210904 [1,1,0,0,0,0|2,0,0]=4 5124 B17R0.192 CCCCCCCCCCOC(=O)CNC(C)C 2230a_100138425928_100000210668 [1,1,0,0,0,0|2,0,0]=4 5125 B17R0.192 CCCCCCCCCCOC(=O)CNC(C)C 34a_100138425928_100000210668 [1,1,0,0,0,0|2,0,0]=4 5126 B17R0.192 CCCCCCCCCCOC(=O)COC(C)C 34a_100000212225_100000210668 [1,1,0,0,0,0|2,0,0]=4 5127 B17R0.192 CCCCCCCCCCOC(=O)CSC(C)C 62a_100000210206_100000680656 [1,1,0,0,0,0|2,0,0]=4 5128 B17R0.192 CCCCCCCCCCOC(=O)CSC(C)C 62a_100000680656_100000210206 [1,1,0,0,0,0|2,0,0]=4 5129 B17R0.192 CCCCCCCCCNCC(=O)NCC(C)C 2230a_100000212291_100000183291 [1,1,0,0,0,0|2,0,0]=4 5130 B17R0.192 CCCCCCCCCNCC(=O)NCC(C)C 34a_100000212291_100000183291 [1,1,0,0,0,0|2,0,0]=4 5131 B17R0.192 CCCCCCCCCOCC(=O)NCC(C)C 34a_100000210712_100000183291 [1,1,0,0,0,0|2,0,0]=4 5132 B17R0.192 CCCCCCCCCOCC(=O)NCC(C)C 7a_100000210712_100000183291 [1,1,0,0,0,0|2,0,0]=4 5133 B17R0.192 CCCCCCCCCSCC(=O)NCC(C)C 62a_100000183291_100000210670 [1,1,0,0,0,0|2,0,0]=4 5134 B17R0.192 CCCCCCCNCCCC(=O)NCC(C)C 2230a_100000229938_100011194448 [1,1,0,0,0,0|2,0,0]=4 5135 B17R0.192 CCCCCCCOCCCC(=O)NCC(C)C 34a_100000210272_100011194448 [1,1,0,0,0,0|2,0,0]=4 5136 B17R0.192 CCCCCCCOCCCC(=O)NCC(C)C 7a_100000210272_100011194448 [1,1,0,0,0,0|2,0,0]=4 5137 B17R0.192 CCCCCCCSCCCC(=O)NCC(C)C 62a_100000210614_100011194448 [1,1,0,0,0,0|2,0,0]=4 5138 B17R0.192 CCCCCCCSCCCC(=O)NCC(C)C 62a_100011194448_100000210316 [1,1,0,0,0,0|2,0,0]=4 5139 B17R0.192 C[S+](C)CCC(=O)CCCCCCCCCCO 1458a_100009452791_100009813290 [1,1,0,0,0,0|2,0,0]=4 5140 B17R0.3189 CCCCCCCC(=O)CCCC(=O)NCCC 1458a_100000199544_100000210614 [1,1,0,0,0,0|1,0,1]=4 5141 B17R0.3189 CCCCCCCC(=O)CCCC(=O)NCCC 1458a_100000211969_100011194427 [1,1,0,0,0,0|1,0,1]=4 5142 B17R0.3189 CCCCCCCC(C)OCOC(=O)OCCC 34a_200011215852_200000139673 [1,1,0,0,0,0|2,0,0]=4 5143 B17R0.3189 CCCCCCCC(C)OCOC(=O)OCCC 7a_200011215852_200000139673 [1,1,0,0,0,0|2,0,0]=4 5144 B17R0.3189 CCCCCCCC(C)SCOC(=O)OCCC 62a_200011218727_200000139673 [1,1,0,0,0,0|2,0,0]=4 5145 B17R0.3189 CCCCCCCN(C)CCCC(=O)NCCC 2230a_100000228206_100011194427 [1,1,0,0,0,0|2,0,0]=4 5146 B17R0.3189 CCCCCCCN(C)CCCC(=O)NCCC 269982a_100000228206_100011194427 [1,1,0,0,0,0|2,0,0]=4 5147 B17R0.5782 CCCCCCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210759 [1,1,0,0,0,0|1,0,1]=4 5148 B17R0.5782 CCCCCCCCC(=O)COC(=O)OCCC 1458a_100000210188_200000139673 [1,1,0,0,0,0|1,0,1]=4 5149 B17R0.5782 CCCCCCCCC(C)NCC(=O)NCCC 270004a_100000174927_100011216694 [1,1,0,0,0,0|2,0,0]=4 5150 B17R0.5782 CCCCCCCCC(C)OCC(=O)NCCC 34a_100000210740_100000183358 [1,1,0,0,0,0|2,0,0]=4 5151 B17R0.5782 CCCCCCCCC(C)OCC(=O)NCCC 7a_100000210740_100000183358 [1,1,0,0,0,0|2,0,0]=4 5152 B17R0.5782 CCCCCCCCC(C)OCC(=O)OCCC 34a_100000210740_200011215008 [1,1,0,0,0,0|1,0,0]=3 5153 B17R0.5782 CCCCCCCCC(C)OCC(=O)OCCC 7a_100000210740_200011215008 [1,1,0,0,0,0|1,0,0]=3 5154 B17R0.5782 CCCCCCCCN(C)COC(=O)OCCC 269982a_100000207567_200000139673 [1,1,0,0,0,0|2,0,0]=4 5155 B17R0.5801 CCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210211 [1,1,0,0,0,0|1,0,1]=4 5156 B17R0.5801 CCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000210183_100010282707 [1,1,0,0,0,0|1,0,1]=4 5157 B17R0.5801 CCCOC(=O)OCOCCCCCC(C)CC 7a_200000035636_200000139673 [1,1,0,0,0,0|2,0,0]=4 5158 B17R0.6422 CCCCCCCCCCNS(=O)(=O)CCCC 270084a_100000684558_100000212082 [1,1,0,0,0,0|2,0,0]=4 5159 B17R0.6422 CCCCCCCCCCNS(=O)(=O)CCCC 274078a_100000684558_100000212082 [1,1,0,0,0,0|2,0,0]=4 5160 B17R0.6422 CCCCCCCCCCNS(=O)(=O)CCCC 40a_100000684558_100000054263 [1,1,0,0,0,0|2,0,0]=4 5161 B17R0.8052 CCCCC(C)CCCCOCC(=O)NCCC 34a_200011021034_100000183358 [1,1,0,0,0,0|2,0,0]=4 5162 B17R0.8052 CCCCC(C)CCCCOCC(=O)NCCC 7a_200011021034_100000183358 [1,1,0,0,0,0|2,0,0]=4 5163 B17R0.8052 CCCCC(C)CCCCOCC(=O)OCCC 34a_200011021034_200011215008 [1,1,0,0,0,0|1,0,0]=3 5164 B17R0.8052 CCCCC(C)CCCCOCC(=O)OCCC 7a_200011021034_200011215008 [1,1,0,0,0,0|1,0,0]=3 5165 B17R0.8625 CCCCCCC(C)CCOCC(=O)NCCC 34a_200011024964_100000183358 [1,1,0,0,0,0|2,0,0]=4 5166 B17R0.8625 CCCCCCC(C)CCOCC(=O)NCCC 7a_200011024964_100000183358 [1,1,0,0,0,0|2,0,0]=4 5167 B17R0.8625 CCCCCCC(C)CCOCC(=O)OCCC 34a_200011024964_200011215008 [1,1,0,0,0,0|1,0,0]=3 5168 B17R0.8625 CCCCCCC(C)CCOCC(=O)OCCC 7a_200011024964_200011215008 [1,1,0,0,0,0|1,0,0]=3 5169 B17R0.8625 CCCCCCC(C)NCCCC(=O)NCCC 2230a_100000210919_100011194427 [1,1,0,0,0,0|2,0,0]=4 5170 B17R0.8625 CCCCCCC(C)OCCCC(=O)NCCC 7a_100000210265_100011194427 [1,1,0,0,0,0|2,0,0]=4 5171 B17R0.8625 CCCCCCC(C)SCCCC(=O)NCCC 62a_100011194427_100011215978 [1,1,0,0,0,0|2,0,0]=4 5172 B17R0.8625 CCCCCCC(C)SCCCC(=O)NCCC 62a_100011215978_100011194427 [1,1,0,0,0,0|2,0,0]=4 5173 B17R0.13599 CCCCCCCCCCCC(CCCC)NC 270004a_106832991635_200000336270 [1,1,0,0,0,0|1,0,1]=4 5174 B17R0.13599 CCCCCCCCCCCN(CC)CCCC 2230a_100000207695_100011215454 [1,1,0,0,0,0|2,0,0]=4 5175 B17R0.13599 CCCCCCCCCCCN(CC)CCCC 269982a_100000207695_100011215454 [1,1,0,0,0,0|2,0,0]=4 5176 B17R0.13599 CCCCCCOCCCCN(CCCC)N=O 34a_200000034022_100000210314 [1,1,0,0,0,0|2,0,0]=4 5177 B17R0.13599 CCCCCCOCCCCN(CCCC)N=O 7a_200000034022_100000210314 [1,1,0,0,0,0|2,0,0]=4 5178 B17R0.13601 C=CC(C)CC(=O)CCCCCCCCCCC 1458a_100011934298_100011215454 [1,1,0,0,0,0|0,0,2]=4 5179 B17R0.13601 C=CCCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100009814027 [1,1,0,0,0,0|0,0,2]=4 5180 B17R0.13601 C=CCCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100009814027 [1,1,0,0,0,0|0,0,2]=4 5181 B17R0.13601 CCC(C)CC(=O)CCCCCCCCCCO 1458a_100000708755_100009813290 [1,1,0,0,0,0|1,0,0]=3 5182 B17R0.13601 CCC(C)CC(=O)NCCCCCCCCCO 240690a_100000078944_100000708755 [1,1,0,0,0,0|2,0,0]=4 5183 B17R0.13601 CCC(C)NC(=O)CCCCCCCCCCO 240690a_100000209981_200000016029 [1,1,0,0,0,0|2,0,0]=4 5184 B17R0.13601 CCC(O)CC(=O)CCCCCCCCCCO 1458a_100011667805_100009813290 [1,1,0,0,0,0|1,0,0]=3 5185 B17R0.13601 CCC(O)CC(=O)NCCCCCCCCCO 240690a_100000078944_100011667805 [1,1,0,0,0,0|2,0,0]=4 5186 B17R0.13601 CCCCCCCCCC=CC(=O)CC(C)CC 1458a_200015352897_100000748023 [1,1,0,0,0,0|0,0,2]=4 5187 B17R0.13601 CCCCCCCCCC=CC(=O)CC(O)CC 1458a_200015352897_100011218378 [1,1,0,0,0,0|0,0,2]=4 5188 B17R0.13601 CCCCCCCCCC=CC(=O)C[C@@H](C)CC 1458a_200015352897_100009816398 [1,1,0,0,0,0|0,0,2]=4 5189 B17R0.13601 CCCCCCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100011215454 [1,1,0,0,0,0|0,0,2]=4 5190 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)CC 1458a_100000210736_100000747405 [1,1,0,0,0,0|0,0,1]=3 5191 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)NC 1458a_100000210736_100000183359 [1,1,0,0,0,0|1,0,1]=4 5192 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000210736_100000747449 [1,1,0,0,0,0|1,0,1]=4 5193 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215454 [1,1,0,0,0,0|1,0,1]=4 5194 B17R0.13601 CCCCCCCCCCCC(=O)CC(C)CC 1458a_100000210736_100000748023 [1,1,0,0,0,0|0,0,0]=2 5195 B17R0.13601 CCCCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100011215454 [1,1,0,0,0,0|0,0,0]=2 5196 B17R0.13601 CCCCCCCCCCCC(=O)CC(O)CC 1458a_100000210736_100011218378 [1,1,0,0,0,0|0,0,0]=2 5197 B17R0.13601 CCCCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100011215454 [1,1,0,0,0,0|0,0,0]=2 5198 B17R0.13601 CCCCCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100011215454 [1,1,0,0,0,0|1,0,0]=3 5199 B17R0.13601 CCCCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210736_100009816398 [1,1,0,0,0,0|0,0,0]=2 5200 B17R0.13601 CCCCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000210736_100000059175 [1,1,0,0,0,0|1,0,0]=3 5201 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000210736 [1,1,0,0,0,0|1,0,0]=3 5202 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000210736 [1,1,0,0,0,0|1,0,0]=3 5203 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000210736 [1,1,0,0,0,0|1,0,0]=3 5204 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210736 [1,1,0,0,0,0|2,0,0]=4 5205 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210736 [1,1,0,0,0,0|2,0,0]=4 5206 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210736 [1,1,0,0,0,0|2,0,0]=4 5207 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210736 [1,1,0,0,0,0|2,0,0]=4 5208 B17R0.13601 CCCCCCCCCCCN(C)CC(C)CC 2230a_100000753921_100011215454 [1,1,0,0,0,0|2,0,0]=4 5209 B17R0.13601 CCCCCCCCCCCN(C)CC(C)CC 269982a_100000753921_100011215454 [1,1,0,0,0,0|2,0,0]=4 5210 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 11a_100000684558_100000708755 [1,1,0,0,0,0|1,0,0]=3 5211 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 1626a_100000684558_100000708755 [1,1,0,0,0,0|1,0,0]=3 5212 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 240690a_100000684558_100000708755 [1,1,0,0,0,0|1,0,0]=3 5213 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 527a_100000684558_100000708755 [1,1,0,0,0,0|1,0,0]=3 5214 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC 1626a_100000684558_100011667805 [1,1,0,0,0,0|1,0,0]=3 5215 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC 240690a_100000684558_100011667805 [1,1,0,0,0,0|1,0,0]=3 5216 B17R0.13601 CCCCCCCCCCNC(=O)CN(C)CC 240690a_100000684558_100116209913 [1,1,0,0,0,0|2,0,0]=4 5217 B17R0.13601 CCCCCCCCCCNC(=O)CN(C)CC 527a_100000684558_100116209913 [1,1,0,0,0,0|2,0,0]=4 5218 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 2708a_100000209981_100000684558 [1,1,0,0,0,0|2,0,0]=4 5219 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 2708a_100000684558_100000209981 [1,1,0,0,0,0|2,0,0]=4 5220 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 273464a_100000209981_100000684558 [1,1,0,0,0,0|2,0,0]=4 5221 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 273464a_100000684558_100000209981 [1,1,0,0,0,0|2,0,0]=4 5222 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 512a_100000209981_100000684558 [1,1,0,0,0,0|2,0,0]=4 5223 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 512a_100000684558_100000209981 [1,1,0,0,0,0|2,0,0]=4 5224 B17R0.13601 CCCCCCCCCCOC(=O)CC(=O)CC 1458a_100000210414_100000210668 [1,1,0,0,0,0|1,0,1]=4 5225 B17R0.13601 CCCCCCCCCCOC(=O)CN(C)CC 2230a_100000225621_100000210668 [1,1,0,0,0,0|2,0,0]=4 5226 B17R0.13601 CCCCCCCCCCOC(=O)CN(C)CC 269982a_100000225621_100000210668 [1,1,0,0,0,0|2,0,0]=4 5227 B17R0.13601 CCCCCCCCCNCC(=O)NC(C)CC 2230a_100000212291_100000182745 [1,1,0,0,0,0|2,0,0]=4 5228 B17R0.13601 CCCCCCCCCNCC(=O)NC(C)CC 34a_100000212291_100000182745 [1,1,0,0,0,0|2,0,0]=4 5229 B17R0.13601 CCCCCCCCCOCC(=O)NC(C)CC 34a_100000210712_100000182745 [1,1,0,0,0,0|2,0,0]=4 5230 B17R0.13601 CCCCCCCCCOCC(=O)NC(C)CC 7a_100000210712_100000182745 [1,1,0,0,0,0|2,0,0]=4 5231 B17R0.13601 CCCCCCCCCSCC(=O)NC(C)CC 62a_100000182745_100000210670 [1,1,0,0,0,0|2,0,0]=4 5232 B17R0.13601 CCN(C)CC(=O)CCCCCCCCCCO 1458a_100116209913_100009813290 [1,1,0,0,0,0|2,0,0]=4 5233 B17R0.13602 C=CCC(C)C(=O)CCCCCCCCCCC 1458a_100011216819_100011215454 [1,1,0,0,0,0|0,0,2]=4 5234 B17R0.13602 C=CCCCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100009814027 [1,1,0,0,0,0|0,0,2]=4 5235 B17R0.13602 C=CCCCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100009814027 [1,1,0,0,0,0|0,0,2]=4 5236 B17R0.13602 CC/C=C(\C)/C(=O)CCCCCCCCCCC 1458a_100016988807_100011215454 [1,1,0,0,0,0|0,0,2]=4 5237 B17R0.13602 CCCC(C)C(=O)CCCCCCCCCCO 1458a_100000210906_100009813290 [1,1,0,0,0,0|1,0,0]=3 5238 B17R0.13602 CCCC(C)C(=O)NCCCCCCCCCO 240690a_100000078944_100000210906 [1,1,0,0,0,0|2,0,0]=4 5239 B17R0.13602 CCCCCCCCCC=CC(=O)C(C)CCC 1458a_200015352897_100000766640 [1,1,0,0,0,0|0,0,2]=4 5240 B17R0.13602 CCCCCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100011215454 [1,1,0,0,0,0|1,0,1]=4 5241 B17R0.13602 CCCCCCCCCCCC(=O)C(C)CC#N 1458a_100000210736_100009813641 [1,1,0,0,0,0|1,0,1]=4 5242 B17R0.13602 CCCCCCCCCCCC(=O)C(C)CCC 1458a_100000210736_100000766640 [1,1,0,0,0,0|0,0,0]=2 5243 B17R0.13602 CCCCCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100011215454 [1,1,0,0,0,0|0,0,0]=2 5244 B17R0.13602 CCCCCCCCCCCC(=O)C(C)CCO 1458a_100000210736_100009893172 [1,1,0,0,0,0|1,0,0]=3 5245 B17R0.13602 CCCCCCCCCCCC(=O)C(C)COC 1458a_100000210736_100000765312 [1,1,0,0,0,0|1,0,0]=3 5246 B17R0.13602 CCCCCCCCCCCC(=O)C(C)COC 1458a_100000751857_100011215454 [1,1,0,0,0,0|1,0,0]=3 5247 B17R0.13602 CCCCCCCCCCCC(=O)C(C)CSC 1458a_100000753918_100011215454 [1,1,0,0,0,0|1,0,0]=3 5248 B17R0.13602 CCCCCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100011215454 [1,1,0,0,0,0|1,0,0]=3 5249 B17R0.13602 CCCCCCCCCCCC(=O)C(C)SCC 1458a_100000230601_100011215454 [1,1,0,0,0,0|1,0,0]=3 5250 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCC 11a_100000747261_100000210736 [1,1,0,0,0,0|1,0,0]=3 5251 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCC 1626a_100000747261_100000210736 [1,1,0,0,0,0|1,0,0]=3 5252 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCC 240690a_100000747261_100000210736 [1,1,0,0,0,0|1,0,0]=3 5253 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCO 240690a_100000210263_100000210736 [1,1,0,0,0,0|2,0,0]=4 5254 B17R0.13602 CCCCCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011215454 [1,1,0,0,0,0|0,0,0]=2 5255 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC 11a_100000684558_100000210906 [1,1,0,0,0,0|1,0,0]=3 5256 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC 1626a_100000684558_100000210906 [1,1,0,0,0,0|1,0,0]=3 5257 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC 240690a_100000684558_100000210906 [1,1,0,0,0,0|1,0,0]=3 5258 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC 527a_100000684558_100000210906 [1,1,0,0,0,0|1,0,0]=3 5259 B17R0.13602 CCCCCCCCCCNC(=O)C(C)COC 11a_100000684558_100000751857 [1,1,0,0,0,0|2,0,0]=4 5260 B17R0.13602 CCCCCCCCCCNC(=O)C(C)COC 1626a_100000684558_100000751857 [1,1,0,0,0,0|2,0,0]=4 5261 B17R0.13602 CCCCCCCCCCNC(=O)C(C)COC 240690a_100000684558_100000751857 [1,1,0,0,0,0|2,0,0]=4 5262 B17R0.13602 CCCCCCCCCCNC(=O)C(C)COC 527a_100000684558_100000751857 [1,1,0,0,0,0|2,0,0]=4 5263 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CSC 11a_100000684558_100000753918 [1,1,0,0,0,0|2,0,0]=4 5264 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CSC 1626a_100000684558_100000753918 [1,1,0,0,0,0|2,0,0]=4 5265 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CSC 240690a_100000684558_100000753918 [1,1,0,0,0,0|2,0,0]=4 5266 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CSC 527a_100000684558_100000753918 [1,1,0,0,0,0|2,0,0]=4 5267 B17R0.13602 CCCCCCCCCCNC(=O)C(C)OCC 11a_100000684558_100000739345 [1,1,0,0,0,0|2,0,0]=4 5268 B17R0.13602 CCCCCCCCCCNC(=O)C(C)OCC 1626a_100000684558_100000739345 [1,1,0,0,0,0|2,0,0]=4 5269 B17R0.13602 CCCCCCCCCCNC(=O)C(C)OCC 240690a_100000684558_100000739345 [1,1,0,0,0,0|2,0,0]=4 5270 B17R0.13602 CCCCCCCCCCNC(=O)C(C)OCC 527a_100000684558_100000739345 [1,1,0,0,0,0|2,0,0]=4 5271 B17R0.13602 CCCCCCCCCCNC(=O)C(C)SCC 11a_100000684558_100000230601 [1,1,0,0,0,0|2,0,0]=4 5272 B17R0.13602 CCCCCCCCCCNC(=O)C(C)SCC 1626a_100000684558_100000230601 [1,1,0,0,0,0|2,0,0]=4 5273 B17R0.13602 CCCCCCCCCCNC(=O)C(C)SCC 240690a_100000684558_100000230601 [1,1,0,0,0,0|2,0,0]=4 5274 B17R0.13602 CCCCCCCCCCNC(=O)C(C)SCC 527a_100000684558_100000230601 [1,1,0,0,0,0|2,0,0]=4 5275 B17R0.13602 CCCCCCCCCCNC(=O)N(C)CCC 2708a_100000684558_100000747261 [1,1,0,0,0,0|2,0,0]=4 5276 B17R0.13602 CCCCCCCCCCNC(=O)N(C)CCC 273464a_100000684558_100000747261 [1,1,0,0,0,0|2,0,0]=4 5277 B17R0.13602 CCCCCCCCCCNC(=O)[C@@H](O)CCC 240690a_100000684558_100009822183 [1,1,0,0,0,0|1,0,0]=3 5278 B17R0.13602 CCCN(C)C(=O)CCCCCCCCCCO 240690a_100000747261_200000016029 [1,1,0,0,0,0|2,0,0]=4 5279 B17R0.13602 CCC[C@H](O)C(=O)CCCCCCCCCCO 1458a_100009822183_100009813290 [1,1,0,0,0,0|1,0,0]=3 5280 B17R0.13602 CCC[C@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_100009822183 [1,1,0,0,0,0|2,0,0]=4 5281 B17R0.13602 CCOC(C)C(=O)CCCCCCCCCCO 1458a_100000739345_100009813290 [1,1,0,0,0,0|2,0,0]=4 5282 B17R0.13602 CCSC(C)C(=O)CCCCCCCCCCO 1458a_100000230601_100009813290 [1,1,0,0,0,0|2,0,0]=4 5283 B17R0.13602 COCC(C)C(=O)CCCCCCCCCCO 1458a_100000751857_100009813290 [1,1,0,0,0,0|2,0,0]=4 5284 B17R0.13602 CSCC(C)C(=O)CCCCCCCCCCO 1458a_100000753918_100009813290 [1,1,0,0,0,0|2,0,0]=4 5285 B17R0.14268 CCCCCCCCCC(=O)CC(=O)NCCC 1458a_100000210558_100000183358 [1,1,0,0,0,0|1,0,1]=4 5286 B17R0.14268 CCCCCCCCCC(=O)CC(=O)OCCC 1458a_100000210558_200011215008 [1,1,0,0,0,0|0,0,1]=3 5287 B17R0.14268 CCCCCCCCCC(C)CN(C)CCCC 270004a_100000207549_200011218516 [1,1,0,0,0,0|2,0,0]=4 5288 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCC 1626a_100020643023_200012339438 [1,1,0,0,0,0|1,0,0]=3 5289 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCC 240690a_100020643023_200012339438 [1,1,0,0,0,0|1,0,0]=3 5290 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCF 1626a_100000724931_200012339438 [1,1,0,0,0,0|2,0,0]=4 5291 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCF 240690a_100000724931_200012339438 [1,1,0,0,0,0|2,0,0]=4 5292 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCO 240690a_100000210304_200012339438 [1,1,0,0,0,0|2,0,0]=4 5293 B17R0.14268 CCCCCCCCCC(O)CC(=O)NNCC 22a_100000756455_200012339438 [1,1,0,0,0,0|2,0,0]=4 5294 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 2230a_100000232482_100000183358 [1,1,0,0,0,0|2,0,0]=4 5295 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 2230a_100000684209_100011214924 [1,1,0,0,0,0|2,0,0]=4 5296 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 269982a_100000232482_100000183358 [1,1,0,0,0,0|2,0,0]=4 5297 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210670 [1,1,0,0,0,0|2,0,0]=4 5298 B17R0.14268 CCCCCCCCCN(C)CC(=O)OCCC 2230a_100000232482_200011215008 [1,1,0,0,0,0|1,0,0]=3 5299 B17R0.14268 CCCCCCCCCN(C)CC(=O)OCCC 269982a_100000232482_200011215008 [1,1,0,0,0,0|1,0,0]=3 5300 B19R0.33 CC(C)CC(C)NC(=O)CCCCCCCCCCO 240690a_100000692259_200000016029 [0,2,0,0,0,0|2,0,0]=4 5301 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CC(C)C 11a_100000692259_100000210736 [0,2,0,0,0,0|1,0,0]=3 5302 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210736 [0,2,0,0,0,0|1,0,0]=3 5303 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210736 [0,2,0,0,0,0|1,0,0]=3 5304 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CN(C)C 11a_100016992788_100000210736 [0,2,0,0,0,0|2,0,0]=4 5305 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210736 [0,2,0,0,0,0|2,0,0]=4 5306 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CC(C)C 2708a_100000684558_100000692259 [0,2,0,0,0,0|2,0,0]=4 5307 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CC(C)C 2708a_100000692259_100000684558 [0,2,0,0,0,0|2,0,0]=4 5308 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CC(C)C 273464a_100000692259_100000684558 [0,2,0,0,0,0|2,0,0]=4 5309 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CC(C)C 512a_100000684558_100000692259 [0,2,0,0,0,0|2,0,0]=4 5310 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CC(C)C 512a_100000692259_100000684558 [0,2,0,0,0,0|2,0,0]=4 5311 B19R0.150 C=C(CCC)CC(=O)NCCCCCCCCCCC 11a_200011215754_100000138376 [0,2,0,0,0,0|1,0,1]=4 5312 B19R0.150 C=C(CCC)CC(=O)NCCCCCCCCCCC 240690a_200011215754_100000138376 [0,2,0,0,0,0|1,0,1]=4 5313 B19R0.150 C=C(CCC)CC(=O)NCCCCCCCCCCC 527a_200011215754_100000138376 [0,2,0,0,0,0|1,0,1]=4 5314 B19R0.150 CCCC(=CC(=O)CCCCCCCCCCCO)C 1458a_100020676950_100009812471 [0,2,0,0,0,0|1,0,1]=4 5315 B19R0.150 CCCC(C)CC(=O)NCCCCCCCCCCO 240690a_100000066964_100000748435 [0,2,0,0,0,0|2,0,0]=4 5316 B19R0.150 CCCC(C)NC(=O)CCCCCCCCCCCO 240690a_100000741246_100000037981 [0,2,0,0,0,0|1,0,0]=3 5317 B19R0.150 CCCC(C)NC(=O)NCCCCCCCCCCO 2708a_100000066964_100000741246 [0,2,0,0,0,0|2,0,0]=4 5318 B19R0.150 CCCC(C)NC(=O)NCCCCCCCCCCO 2708a_100000741246_100000066964 [0,2,0,0,0,0|2,0,0]=4 5319 B19R0.150 CCCC(C)NC(=O)NCCCCCCCCCCO 273464a_100000741246_100000066964 [0,2,0,0,0,0|2,0,0]=4 5320 B19R0.150 CCCC(C)NC(=O)NCCCCCCCCCCO 512a_100000066964_100000741246 [0,2,0,0,0,0|2,0,0]=4 5321 B19R0.150 CCCC(C)NC(=O)NCCCCCCCCCCO 512a_100000741246_100000066964 [0,2,0,0,0,0|2,0,0]=4 5322 B19R0.150 CCCCC#CCCCCCCC(=O)CC(C)CCC 1458a_100000748435_200000043322 [0,2,0,0,0,0|1,0,1]=4 5323 B19R0.150 CCCCCCCCCCC=CC(=O)NC(C)CCC 11a_100000741246_100015291182 [0,2,0,0,0,0|1,0,1]=4 5324 B19R0.150 CCCCCCCCCCC=CC(=O)NC(C)CCC 1626a_100000741246_100015291182 [0,2,0,0,0,0|1,0,1]=4 5325 B19R0.150 CCCCCCCCCCC=CC(=O)NC(C)CCC 240690a_100000741246_100015291182 [0,2,0,0,0,0|1,0,1]=4 5326 B19R0.150 CCCCCCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100011215791 [0,2,0,0,0,0|1,0,0]=3 5327 B19R0.150 CCCCCCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100011215791 [0,2,0,0,0,0|1,0,0]=3 5328 B19R0.150 CCCCCCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100011215791 [0,2,0,0,0,0|1,0,0]=3 5329 B19R0.150 CCCCCCCCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100011215791 [0,2,0,0,0,0|2,0,0]=4 5330 B19R0.150 CCCCCCCCCCCCC(=O)N[C@H](C)COC 11a_100000764878_100011215791 [0,2,0,0,0,0|2,0,0]=4 5331 B19R0.150 CCCCCCCCCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100011215791 [0,2,0,0,0,0|2,0,0]=4 5332 B19R0.150 CCCCCCCCCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100011215791 [0,2,0,0,0,0|2,0,0]=4 5333 B19R0.150 CCCCCCCCCCCNC(=O)C=C(C)CCC 11a_200011215754_100020676950 [0,2,0,0,0,0|1,0,1]=4 5334 B19R0.150 CCCCCCCCCCCNC(=O)C=C(C)CCC 1626a_200011215754_100020676950 [0,2,0,0,0,0|1,0,1]=4 5335 B19R0.150 CCCCCCCCCCCNC(=O)C=C(C)CCC 240690a_200011215754_100020676950 [0,2,0,0,0,0|1,0,1]=4 5336 B19R0.150 CCCCCCCCCCCNC(=O)CC(C)CCC 11a_200011215754_100000748435 [0,2,0,0,0,0|1,0,0]=3 5337 B19R0.150 CCCCCCCCCCCNC(=O)CC(C)CCC 1626a_200011215754_100000748435 [0,2,0,0,0,0|1,0,0]=3 5338 B19R0.150 CCCCCCCCCCCNC(=O)CC(C)CCC 240690a_200011215754_100000748435 [0,2,0,0,0,0|1,0,0]=3 5339 B19R0.150 CCCCCCCCCCCNC(=O)CC(C)CCC 527a_200011215754_100000748435 [0,2,0,0,0,0|1,0,0]=3 5340 B19R0.150 CCCCCCCCCCCNC(=O)CC(C)SCC 11a_200011215754_200011311441 [0,2,0,0,0,0|2,0,0]=4 5341 B19R0.150 CCCCCCCCCCCNC(=O)CC(C)SCC 1626a_200011215754_200011311441 [0,2,0,0,0,0|2,0,0]=4 5342 B19R0.150 CCCCCCCCCCCNC(=O)CC(C)SCC 240690a_200011215754_200011311441 [0,2,0,0,0,0|2,0,0]=4 5343 B19R0.150 CCCCCCCCCCCNC(=O)CC(C)SCC 527a_200011215754_200011311441 [0,2,0,0,0,0|2,0,0]=4 5344 B19R0.150 CCCCCCCCCCCNC(=O)CS(=O)CCC 11a_200011215754_100011387404 [0,2,0,0,0,0|2,0,0]=4 5345 B19R0.150 CCCCCCCCCCCNC(=O)CS(=O)CCC 1626a_200011215754_100011387404 [0,2,0,0,0,0|2,0,0]=4 5346 B19R0.150 CCCCCCCCCCCNC(=O)CS(=O)CCC 240690a_200011215754_100011387404 [0,2,0,0,0,0|2,0,0]=4 5347 B19R0.150 CCCCCCCCCCCNC(=O)CS(=O)CCC 527a_200011215754_100011387404 [0,2,0,0,0,0|2,0,0]=4 5348 B19R0.150 CCCCCCCCCCCNC(=O)NC(C)CCC 2708a_100000741246_200011215754 [0,2,0,0,0,0|1,0,0]=3 5349 B19R0.150 CCCCCCCCCCCNC(=O)NC(C)CCC 2708a_200011215754_100000741246 [0,2,0,0,0,0|1,0,0]=3 5350 B19R0.150 CCCCCCCCCCCNC(=O)NC(C)CCC 273464a_100000741246_200011215754 [0,2,0,0,0,0|1,0,0]=3 5351 B19R0.150 CCCCCCCCCCCNC(=O)NC(C)CCC 512a_100000741246_200011215754 [0,2,0,0,0,0|1,0,0]=3 5352 B19R0.150 CCCCCCCCCCCNC(=O)NC(C)CCC 512a_200011215754_100000741246 [0,2,0,0,0,0|1,0,0]=3 5353 B19R0.150 CCCCCCCCCCCNC(=O)N[C@H](C)CCO 2708a_200011215754_100000706166 [0,2,0,0,0,0|2,0,0]=4 5354 B19R0.150 CCCCCCCCCCCNC(=O)N[C@H](C)CCO 273464a_100000706166_200011215754 [0,2,0,0,0,0|2,0,0]=4 5355 B19R0.150 CCCCCCCCCCCNC(=O)N[C@H](C)CCO 512a_100000706166_200011215754 [0,2,0,0,0,0|2,0,0]=4 5356 B19R0.150 CCCCCCCCCCCNC(=O)N[C@H](C)CCO 512a_200011215754_100000706166 [0,2,0,0,0,0|2,0,0]=4 5357 B19R0.150 CCCCCCCCCCCNC(=O)N[C@H](C)COC 2708a_100000764878_200011215754 [0,2,0,0,0,0|2,0,0]=4 5358 B19R0.150 CCCCCCCCCCCNC(=O)N[C@H](C)COC 2708a_200011215754_100000764878 [0,2,0,0,0,0|2,0,0]=4 5359 B19R0.150 CCCCCCCCCCCNC(=O)N[C@H](C)COC 273464a_100000764878_200011215754 [0,2,0,0,0,0|2,0,0]=4 5360 B19R0.150 CCCCCCCCCCCNC(=O)N[C@H](C)COC 273464a_200011215754_100000764878 [0,2,0,0,0,0|2,0,0]=4 5361 B19R0.150 CCCCCCCCCCCNC(=O)N[C@H](C)COC 512a_100000764878_200011215754 [0,2,0,0,0,0|2,0,0]=4 5362 B19R0.150 CCCCCCCCCCCNC(=O)N[C@H](C)COC 512a_200011215754_100000764878 [0,2,0,0,0,0|2,0,0]=4 5363 B19R0.150 COC[C@@H](C)NC(=O)CCCCCCCCCCCO 240690a_100000764878_100000037981 [0,2,0,0,0,0|2,0,0]=4 5364 B19R0.150 C[C@H](CCO)NC(=O)CCCCCCCCCCCO 240690a_100000706166_100000037981 [0,2,0,0,0,0|2,0,0]=4 5365 B19R0.7648 CCCCC(C)NC(=O)CCCCCCCCCCO 240690a_100000126638_200000016029 [0,2,0,0,0,0|2,0,0]=4 5366 B19R0.7648 CCCCCCCCCCCC(=O)CC(=O)NCCC 1458a_100000210736_100000183358 [0,2,0,0,0,0|1,0,1]=4 5367 B19R0.7648 CCCCCCCCCCCC(=O)CC(=O)OCCC 1458a_100000210736_200011215008 [0,2,0,0,0,0|1,0,1]=4 5368 B19R0.7648 CCCCCCCCCCCC(=O)NC(C)CCCC 11a_100000126638_100000210736 [0,2,0,0,0,0|1,0,0]=3 5369 B19R0.7648 CCCCCCCCCCCC(=O)NC(C)CCCC 1626a_100000126638_100000210736 [0,2,0,0,0,0|1,0,0]=3 5370 B19R0.7648 CCCCCCCCCCCC(=O)NC(C)CCCC 240690a_100000126638_100000210736 [0,2,0,0,0,0|1,0,0]=3 5371 B19R0.7648 CCCCCCCCCCNC(=O)NC(C)CCCC 2708a_100000126638_100000684558 [0,2,0,0,0,0|2,0,0]=4 5372 B19R0.7648 CCCCCCCCCCNC(=O)NC(C)CCCC 2708a_100000684558_100000126638 [0,2,0,0,0,0|2,0,0]=4 5373 B19R0.7648 CCCCCCCCCCNC(=O)NC(C)CCCC 273464a_100000126638_100000684558 [0,2,0,0,0,0|2,0,0]=4 5374 B19R0.7648 CCCCCCCCCCNC(=O)NC(C)CCCC 273464a_100000684558_100000126638 [0,2,0,0,0,0|2,0,0]=4 5375 B19R0.7648 CCCCCCCCCCNC(=O)NC(C)CCCC 512a_100000126638_100000684558 [0,2,0,0,0,0|2,0,0]=4 5376 B19R0.7648 CCCCCCCCCCNC(=O)NC(C)CCCC 512a_100000684558_100000126638 [0,2,0,0,0,0|2,0,0]=4 5377 B19R0.7648 CCCCCCCCCCOC(=O)CC(=O)CCCC 1458a_100000210183_100000210668 [0,2,0,0,0,0|2,0,0]=4 5378 B19R0.7648 CCCCCCCCCCOC(=O)CN(C)CCCC 2230a_100000207549_100000210668 [0,2,0,0,0,0|2,0,0]=4 5379 B19R0.7648 CCCCCCCCCCOC(=O)CN(C)CCCC 269982a_100000207549_100000210668 [0,2,0,0,0,0|2,0,0]=4 5380 B19R0.9206 CCCCCCCCCCCC(=O)N(C)C(C)CCO 240690a_100000731037_100000210736 [0,2,0,0,0,0|2,0,0]=4 5381 B19R0.9214 CCCC(CC)NC(=O)CCCCCCCCCCO 240690a_100000747048_200000016029 [0,2,0,0,0,0|2,0,0]=4 5382 B19R0.9214 CCCCCCCCCCCC(=O)NC(CC)CCC 11a_100000747048_100000210736 [0,2,0,0,0,0|1,0,0]=3 5383 B19R0.9214 CCCCCCCCCCCC(=O)NC(CC)CCC 1626a_100000747048_100000210736 [0,2,0,0,0,0|1,0,0]=3 5384 B19R0.9214 CCCCCCCCCCCC(=O)NC(CC)CCC 240690a_100000747048_100000210736 [0,2,0,0,0,0|1,0,0]=3 5385 B19R0.9214 CCCCCCCCCCCC(=O)NC(CC)COC 11a_100000757820_100000210736 [0,2,0,0,0,0|2,0,0]=4 5386 B19R0.9214 CCCCCCCCCCCC(=O)NC(CC)COC 1626a_100000757820_100000210736 [0,2,0,0,0,0|2,0,0]=4 5387 B19R0.9214 CCCCCCCCCCCC(=O)NC(CC)COC 240690a_100000757820_100000210736 [0,2,0,0,0,0|2,0,0]=4 5388 B19R0.9214 CCCCCCCCCCCC(=O)NC(CO)COC 240690a_100000724102_100000210736 [0,2,0,0,0,0|2,0,0]=4 5389 B19R0.9214 CCCCCCCCCCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000210736 [0,2,0,0,0,0|1,0,0]=3 5390 B19R0.9214 CCCCCCCCCCNC(=O)NC(CC)CCC 2708a_100000684558_100000747048 [0,2,0,0,0,0|2,0,0]=4 5391 B19R0.9214 CCCCCCCCCCNC(=O)NC(CC)CCC 2708a_100000747048_100000684558 [0,2,0,0,0,0|2,0,0]=4 5392 B19R0.9214 CCCCCCCCCCNC(=O)NC(CC)CCC 273464a_100000684558_100000747048 [0,2,0,0,0,0|2,0,0]=4 5393 B19R0.9214 CCCCCCCCCCNC(=O)NC(CC)CCC 273464a_100000747048_100000684558 [0,2,0,0,0,0|2,0,0]=4 5394 B19R0.9214 CCCCCCCCCCNC(=O)NC(CC)CCC 512a_100000684558_100000747048 [0,2,0,0,0,0|2,0,0]=4 5395 B19R0.9214 CCCCCCCCCCNC(=O)NC(CC)CCC 512a_100000747048_100000684558 [0,2,0,0,0,0|2,0,0]=4 5396 B19R0.9214 CCCCCCCCCCNC(=O)N[C@H](CO)CCC 2708a_100000684558_100000732646 [0,2,0,0,0,0|2,0,0]=4 5397 B19R0.9214 CCCCCCCCCCNC(=O)N[C@H](CO)CCC 273464a_100000684558_100000732646 [0,2,0,0,0,0|2,0,0]=4 5398 B19R0.9214 CCCCCCCCCCNC(=O)N[C@H](CO)CCC 273464a_100000732646_100000684558 [0,2,0,0,0,0|2,0,0]=4 5399 B19R0.9214 CCCCCCCCCCNC(=O)N[C@H](CO)CCC 512a_100000684558_100000732646 [0,2,0,0,0,0|2,0,0]=4 5400 B19R0.9214 CCCCCCCCCCNC(=O)N[C@H](CO)CCC 512a_100000732646_100000684558 [0,2,0,0,0,0|2,0,0]=4 5401 B19R0.9214 CCC[C@@H](CO)NC(=O)CCCCCCCCCCO 240690a_100000732646_200000016029 [0,2,0,0,0,0|2,0,0]=4 5402 B19R0.9218 CCCCCCCCCCCC(=O)CC(C)N(C)CC 1458a_200015187196_100011215454 [0,2,0,0,0,0|2,0,0]=4 5403 B19R0.9218 CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)CC 1458a_100007851598_100000210202 [0,2,0,0,0,0|1,0,1]=4 5404 B19R0.23237 CCCCCCCCCCN(C)C(=O)CC(C)CCC 11a_100000207566_100000748435 [0,2,0,0,0,0|2,0,0]=4 5405 B19R0.23237 CCCCCCCCCCN(C)C(=O)CC(C)CCC 1626a_100000207566_100000748435 [0,2,0,0,0,0|2,0,0]=4 5406 B19R0.23237 CCCCCCCCCCN(C)C(=O)CC(C)CCC 240690a_100000207566_100000748435 [0,2,0,0,0,0|2,0,0]=4 5407 B19R0.23237 CCCCCCCCCCN(C)C(=O)CC(C)CCC 527a_100000207566_100000748435 [0,2,0,0,0,0|2,0,0]=4 5408 B19R0.23237 CCCCCCCCCCN(C)C(=O)NC(C)CCC 2708a_100000741246_100000207566 [0,2,0,0,0,0|2,0,0]=4 5409 B19R0.23237 CCCCCCCCCCN(C)C(=O)NC(C)CCC 273464a_100000741246_100000207566 [0,2,0,0,0,0|2,0,0]=4 5410 B19R0.23237 CCCCCCCCCNC(C)C(=O)NC(C)CCC 2230a_100000212291_100000735934 [0,2,0,0,0,0|2,0,0]=4 5411 B19R0.23237 CCCCCCCCCNC(C)C(=O)NC(C)CCC 34a_100000212291_100000735934 [0,2,0,0,0,0|2,0,0]=4 5412 B19R0.23237 CCCCCCCCCOC(C)C(=O)NC(C)CCC 34a_100000210712_100000735934 [0,2,0,0,0,0|2,0,0]=4 5413 B19R0.23237 CCCCCCCCCOC(C)C(=O)NC(C)CCC 7a_100000210712_100000735934 [0,2,0,0,0,0|2,0,0]=4 5414 B19R0.23237 CCCCCCCCCSC(C)C(=O)NC(C)CCC 62a_100000735934_100000210670 [0,2,0,0,0,0|2,0,0]=4 5415 B19R0.26215 CCCCCCCCCC(O)CC(=O)NC(C)CCC 1626a_100000741246_200012339438 [0,2,0,0,0,0|1,0,0]=3 5416 B19R0.26215 CCCCCCCCCC(O)CC(=O)NC(C)CCC 240690a_100000741246_200012339438 [0,2,0,0,0,0|1,0,0]=3 5417 B19R0.26215 CCCCCCCCCC(O)CC(=O)N[C@H](C)CCO 240690a_100000706166_200012339438 [0,2,0,0,0,0|2,0,0]=4 5418 B19R0.26215 CCCCCCCCCC(O)CC(=O)N[C@H](C)COC 1626a_100000764878_200012339438 [0,2,0,0,0,0|2,0,0]=4 5419 B19R0.26215 CCCCCCCCCC(O)CC(=O)N[C@H](C)COC 240690a_100000764878_200012339438 [0,2,0,0,0,0|2,0,0]=4 5420 B19R0.71892 CCCC(C)(O)CC(=O)CCCCCCCCCCO 1458a_100011667670_100009813290 [0,2,0,0,0,0|2,0,0]=4 5421 B19R0.71892 CCCCCCCCCCCC(=O)CC(C)(O)CCC 1458a_100011667670_100011215454 [0,2,0,0,0,0|1,0,0]=3 5422 B19R0.71892 CCCCCCCCCCCC(=O)NC(C)(C)CCO 240690a_100000763138_100000210736 [0,2,0,0,0,0|2,0,0]=4 5423 B19R0.71892 CCCCCCCCCCCC(=O)NC(C)(C)COC 11a_100000752728_100000210736 [0,2,0,0,0,0|2,0,0]=4 5424 B19R0.71892 CCCCCCCCCCCC(=O)NC(C)(C)COC 1626a_100000752728_100000210736 [0,2,0,0,0,0|2,0,0]=4 5425 B19R0.71892 CCCCCCCCCCCC(=O)NC(C)(C)COC 240690a_100000752728_100000210736 [0,2,0,0,0,0|2,0,0]=4 5426 B19R0.71892 CCCCCCCCCCCC(=O)NC(C)(C)CSC 11a_100000759623_100000210736 [0,2,0,0,0,0|2,0,0]=4 5427 B19R0.71892 CCCCCCCCCCCC(=O)NC(C)(C)CSC 1626a_100000759623_100000210736 [0,2,0,0,0,0|2,0,0]=4 5428 B19R0.71892 CCCCCCCCCCCC(=O)NC(C)(C)CSC 240690a_100000759623_100000210736 [0,2,0,0,0,0|2,0,0]=4 5429 B19R0.71892 CCCCCCCCCCCC(=O)NS(=O)(=O)CCC 2740a_100000171175_100000210736 [0,2,0,0,0,0|2,0,0]=4 5430 B19R0.71892 CCCCCCCCCCNC(=O)CC(C)(O)CCC 240690a_100000684558_100011667670 [0,2,0,0,0,0|2,0,0]=4 5431 B19R0.71892 CCCCCCCCCCNC(=O)CC(C)(O)CCC 527a_100000684558_100011667670 [0,2,0,0,0,0|2,0,0]=4 5432 B19R0.3012 CCCCCCCCC(C)COCC(=O)NCCCC 34a_200012125181_100000182744 [0,2,0,0,0,0|1,0,0]=3 5433 B19R0.3012 CCCCCCCCC(C)COCC(=O)NCCCC 7a_200012125181_100000182744 [0,2,0,0,0,0|1,0,0]=3 5434 B19R0.3012 CCCCCCCCC(C)COCC(=O)NCCOC 34a_200012125181_100000183275 [0,2,0,0,0,0|2,0,0]=4 5435 B19R0.3012 CCCCCCCCC(C)COCC(=O)NCCOC 7a_200012125181_100000183275 [0,2,0,0,0,0|2,0,0]=4 5436 B19R0.3012 CCCCCCCCC(C)COCC(=O)OCCCC 34a_200012125181_100000211628 [0,2,0,0,0,0|0,0,0]=2 5437 B19R0.3012 CCCCCCCCC(C)COCC(=O)OCCCC 7a_200012125181_100000211628 [0,2,0,0,0,0|0,0,0]=2 5438 B19R0.3012 CCCCCCCCC(C)COCC(=O)OCCOC 34a_200012125181_200000040189 [0,2,0,0,0,0|1,0,0]=3 5439 B19R0.3012 CCCCCCCCC(C)COCC(=O)OCCOC 7a_200012125181_200000040189 [0,2,0,0,0,0|1,0,0]=3 5440 B19R0.7621 CCCCCCCC(O)CC(=O)CC(=O)CCCCC 1458a_200011667753_200012276598 [0,2,0,0,0,0|1,0,1]=4 5441 B19R0.7621 CCCCCCCC(O)CC(=O)CC(=O)NCCCC 1458a_200011667753_100000182744 [0,2,0,0,0,0|1,0,1]=4 5442 B19R0.7621 CCCCCCCC(O)CC(=O)CC(=O)OCCCC 1458a_200011667753_100000211628 [0,2,0,0,0,0|0,0,1]=3 5443 B19R0.7621 CCCCCCCC(O)CC(=O)CC(=O)OCCOC 1458a_200011667753_200000040189 [0,2,0,0,0,0|1,0,1]=4 5444 B19R0.101 CCCCOCC(=O)CCCCCCCC(=O)OCC 1458a_100000757543_100009991516 [0,2,0,0,0,0|1,0,1]=4 5445 B19R0.92 CC(C)CCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100011216857 [0,2,0,0,0,0|2,0,0]=4 5446 B19R0.92 CC(C)CCNC(=O)CCCCCCCCCCCO 240690a_100000210545_100000037981 [0,2,0,0,0,0|1,0,0]=3 5447 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000210545 [0,2,0,0,0,0|2,0,0]=4 5448 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 2708a_100000210545_100000066964 [0,2,0,0,0,0|2,0,0]=4 5449 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000210545 [0,2,0,0,0,0|2,0,0]=4 5450 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 273464a_100000210545_100000066964 [0,2,0,0,0,0|2,0,0]=4 5451 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000210545 [0,2,0,0,0,0|2,0,0]=4 5452 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 512a_100000210545_100000066964 [0,2,0,0,0,0|2,0,0]=4 5453 B19R0.92 CC(C)CNNC(=O)CCCCCCCCCCCO 22a_100000696102_100000037981 [0,2,0,0,0,0|2,0,0]=4 5454 B19R0.92 CC(O)CCNC(=O)CCCCCCCCCCCO 240690a_200000755665_100000037981 [0,2,0,0,0,0|1,0,0]=3 5455 B19R0.92 CC(O)CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_200000755665 [0,2,0,0,0,0|2,0,0]=4 5456 B19R0.92 CC(O)CCNC(=O)NCCCCCCCCCCO 273464a_200000755665_100000066964 [0,2,0,0,0,0|2,0,0]=4 5457 B19R0.92 CC(O)CCNC(=O)NCCCCCCCCCCO 512a_100000066964_200000755665 [0,2,0,0,0,0|2,0,0]=4 5458 B19R0.92 CC(O)CCNC(=O)NCCCCCCCCCCO 512a_200000755665_100000066964 [0,2,0,0,0,0|2,0,0]=4 5459 B19R0.92 CC(O)CNNC(=O)CCCCCCCCCCCO 22a_200000730056_100000037981 [0,2,0,0,0,0|2,0,0]=4 5460 B19R0.92 CCCCC#CCCCCCCC(=O)CCCC(C)C 1458a_100011216857_200000043322 [0,2,0,0,0,0|1,0,1]=4 5461 B19R0.92 CCCCCCCCCCC=CC(=O)NCCC(C)C 11a_100000210545_100015291182 [0,2,0,0,0,0|1,0,1]=4 5462 B19R0.92 CCCCCCCCCCC=CC(=O)NCCC(C)C 1626a_100000210545_100015291182 [0,2,0,0,0,0|1,0,1]=4 5463 B19R0.92 CCCCCCCCCCC=CC(=O)NCCC(C)C 240690a_100000210545_100015291182 [0,2,0,0,0,0|1,0,1]=4 5464 B19R0.92 CCCCCCCCCCC=CC(=O)NCCC(C)O 240690a_200000755665_100015291182 [0,2,0,0,0,0|1,0,1]=4 5465 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100011215791 [0,2,0,0,0,0|1,0,0]=3 5466 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100011215791 [0,2,0,0,0,0|1,0,0]=3 5467 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100011215791 [0,2,0,0,0,0|1,0,0]=3 5468 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100011215791 [0,2,0,0,0,0|1,0,0]=3 5469 B19R0.92 CCCCCCCCCCCCC(=O)NCCN(C)C 240690a_100000210585_100011215791 [0,2,0,0,0,0|2,0,0]=4 5470 B19R0.92 CCCCCCCCCCCCC(=O)NNCC(C)C 22a_100000696102_100011215791 [0,2,0,0,0,0|2,0,0]=4 5471 B19R0.92 CCCCCCCCCCCCC(=O)NNCC(C)O 22a_200000730056_100011215791 [0,2,0,0,0,0|2,0,0]=4 5472 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 11a_200011215754_100011216857 [0,2,0,0,0,0|1,0,0]=3 5473 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 1626a_200011215754_100011216857 [0,2,0,0,0,0|1,0,0]=3 5474 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 240690a_200011215754_100011216857 [0,2,0,0,0,0|1,0,0]=3 5475 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 527a_200011215754_100011216857 [0,2,0,0,0,0|1,0,0]=3 5476 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)O 1626a_200011215754_100000761597 [0,2,0,0,0,0|1,0,0]=3 5477 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)O 527a_200011215754_100000761597 [0,2,0,0,0,0|1,0,0]=3 5478 B19R0.92 CCCCCCCCCCCNC(=O)CCCN(C)C 11a_200011215754_100000740757 [0,2,0,0,0,0|2,0,0]=4 5479 B19R0.92 CCCCCCCCCCCNC(=O)CCCN(C)C 240690a_200011215754_100000740757 [0,2,0,0,0,0|2,0,0]=4 5480 B19R0.92 CCCCCCCCCCCNC(=O)COCC(C)C 11a_200011215754_100011223364 [0,2,0,0,0,0|2,0,0]=4 5481 B19R0.92 CCCCCCCCCCCNC(=O)COCC(C)C 1626a_200011215754_100011223364 [0,2,0,0,0,0|2,0,0]=4 5482 B19R0.92 CCCCCCCCCCCNC(=O)COCC(C)C 240690a_200011215754_100011223364 [0,2,0,0,0,0|2,0,0]=4 5483 B19R0.92 CCCCCCCCCCCNC(=O)COCC(C)C 527a_200011215754_100011223364 [0,2,0,0,0,0|2,0,0]=4 5484 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 2708a_100000210545_200011215754 [0,2,0,0,0,0|1,0,0]=3 5485 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 2708a_200011215754_100000210545 [0,2,0,0,0,0|1,0,0]=3 5486 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 273464a_100000210545_200011215754 [0,2,0,0,0,0|1,0,0]=3 5487 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 273464a_200011215754_100000210545 [0,2,0,0,0,0|1,0,0]=3 5488 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 512a_100000210545_200011215754 [0,2,0,0,0,0|1,0,0]=3 5489 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 512a_200011215754_100000210545 [0,2,0,0,0,0|1,0,0]=3 5490 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 2708a_200011215754_200000755665 [0,2,0,0,0,0|1,0,0]=3 5491 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 273464a_200000755665_200011215754 [0,2,0,0,0,0|1,0,0]=3 5492 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 512a_200000755665_200011215754 [0,2,0,0,0,0|1,0,0]=3 5493 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 512a_200011215754_200000755665 [0,2,0,0,0,0|1,0,0]=3 5494 B19R0.92 CCCCCCCCCCCNC(=O)NCCN(C)C 2708a_200011215754_100000210585 [0,2,0,0,0,0|2,0,0]=4 5495 B19R0.92 CCCCCCCCCCCNC(=O)NCCN(C)C 273464a_100000210585_200011215754 [0,2,0,0,0,0|2,0,0]=4 5496 B19R0.92 CCCCCCCCCCCNC(=O)NCCN(C)C 273464a_200011215754_100000210585 [0,2,0,0,0,0|2,0,0]=4 5497 B19R0.92 CCCCCCCCCCCNC(=O)NCCN(C)C 512a_200011215754_100000210585 [0,2,0,0,0,0|2,0,0]=4 5498 B19R0.92 CCCCCCCCCCCNC(=O)NNCC(C)C 273464a_200011215754_100000696102 [0,2,0,0,0,0|2,0,0]=4 5499 B19R0.92 CCCCCCCCCCCNC(=O)NNCC(C)C 512a_100000696102_200011215754 [0,2,0,0,0,0|2,0,0]=4 5500 B19R0.92 CCCCCCCCCCCNC(=O)NNCC(C)C 512a_200011215754_100000696102 [0,2,0,0,0,0|2,0,0]=4 5501 B19R0.92 CCCCCCCCCCCNC(=O)NNCC(C)O 512a_200000730056_200011215754 [0,2,0,0,0,0|2,0,0]=4 5502 B19R0.92 CCCCCCCCCCCNC(=O)NNCC(C)O 512a_200011215754_200000730056 [0,2,0,0,0,0|2,0,0]=4 5503 B19R0.92 CN(C)CCNC(=O)CCCCCCCCCCCO 240690a_100000210585_100000037981 [0,2,0,0,0,0|2,0,0]=4 5504 B19R0.2990 CCCCCCCCCC(O)CC(=O)NCCC(C)C 1626a_100000210545_200012339438 [0,2,0,0,0,0|1,0,0]=3 5505 B19R0.2990 CCCCCCCCCC(O)CC(=O)NCCC(C)C 240690a_100000210545_200012339438 [0,2,0,0,0,0|1,0,0]=3 5506 B19R0.2990 CCCCCCCCCC(O)CC(=O)NCCC(C)O 240690a_200000755665_200012339438 [0,2,0,0,0,0|1,0,0]=3 5507 B19R0.2990 CCCCCCCCCC(O)CC(=O)NCCN(C)C 240690a_100000210585_200012339438 [0,2,0,0,0,0|2,0,0]=4 5508 B19R0.2990 CCCCCCCCCC(O)CC(=O)NNCC(C)C 22a_100000696102_200012339438 [0,2,0,0,0,0|2,0,0]=4 5509 B19R0.2990 CCCCCCCCCC(O)CC(=O)NNCC(C)O 22a_200000730056_200012339438 [0,2,0,0,0,0|2,0,0]=4 5510 B19R0.9202 C#CC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100000211873_100000091854 [0,2,0,0,0,0|0,0,2]=4 5511 B19R0.9202 C#CC(C)NCOC(=O)CCCCCCCCCCC 2230a_100000707721_100020644155 [0,2,0,0,0,0|1,0,0]=3 5512 B19R0.9202 C#CC(C)NCOC(=O)CCCCCCCCCCC 34a_100000707721_100020644155 [0,2,0,0,0,0|1,0,0]=3 5513 B19R0.9202 C#CC(C)SCOC(=O)CCCCCCCCCCC 62a_200000035995_100020644155 [0,2,0,0,0,0|1,0,0]=3 5514 B19R0.9202 C#C[C@@H](C)OCOC(=O)CCCCCCCCCCC 34a_100009815206_100020644155 [0,2,0,0,0,0|1,0,0]=3 5515 B19R0.9202 C#C[C@@H](C)OCOC(=O)CCCCCCCCCCC 7a_100009815206_100020644155 [0,2,0,0,0,0|1,0,0]=3 5516 B19R0.9202 C=CC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100000185746_100000091854 [0,2,0,0,0,0|0,0,2]=4 5517 B19R0.9202 C=CC(C)OCOC(=O)CCCCCCCCCCC 34a_100000695699_100020644155 [0,2,0,0,0,0|1,0,0]=3 5518 B19R0.9202 C=CC(C)SCOC(=O)CCCCCCCCCCC 62a_100011215867_100020644155 [0,2,0,0,0,0|1,0,0]=3 5519 B19R0.9202 CC(CO)CCNC(=O)CCCCCCCCCCO 240690a_106354213184_200000016029 [0,2,0,0,0,0|2,0,0]=4 5520 B19R0.9202 CCC(C)CCNC(=O)CCCCCCCCCCO 240690a_100020591266_200000016029 [0,2,0,0,0,0|2,0,0]=4 5521 B19R0.9202 CCC(O)CNNC(=O)CCCCCCCCCCO 22a_100015206393_200000016029 [0,2,0,0,0,0|2,0,0]=4 5522 B19R0.9202 CCCCCCCCCCCC(=NNCC(O)CC)C 4a_100015206393_100011216755 [0,2,0,0,0,0|2,0,0]=4 5523 B19R0.9202 CCCCCCCCCCCC(=O)CCCC(=O)NC 1458a_100000210736_100000741757 [0,2,0,0,0,0|1,0,1]=4 5524 B19R0.9202 CCCCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000210736_100011218270 [0,2,0,0,0,0|1,0,1]=4 5525 B19R0.9202 CCCCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215454 [0,2,0,0,0,0|1,0,1]=4 5526 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210736 [0,2,0,0,0,0|1,0,1]=4 5527 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210736 [0,2,0,0,0,0|1,0,1]=4 5528 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210736 [0,2,0,0,0,0|1,0,1]=4 5529 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CC 11a_100020591266_100000210736 [0,2,0,0,0,0|1,0,0]=3 5530 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210736 [0,2,0,0,0,0|1,0,0]=3 5531 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210736 [0,2,0,0,0,0|1,0,0]=3 5532 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CO 240690a_106354213184_100000210736 [0,2,0,0,0,0|1,0,0]=3 5533 B19R0.9202 CCCCCCCCCCCC(=O)NN=CC(C)CC 4a_200011219152_100000243153 [0,2,0,0,0,0|1,0,1]=4 5534 B19R0.9202 CCCCCCCCCCCC(=O)NNCC(C)C#N 22a_100000045663_100000210736 [0,2,0,0,0,0|2,0,0]=4 5535 B19R0.9202 CCCCCCCCCCCC(=O)NNCC(O)CC 22a_100015206393_100000210736 [0,2,0,0,0,0|1,0,0]=3 5536 B19R0.9202 CCCCCCCCCCCC(=O)OCCC(=O)CC 1458a_100000210414_100000091854 [0,2,0,0,0,0|0,0,0]=2 5537 B19R0.9202 CCCCCCCCCCCC(=O)OCCC(=O)CO 1458a_100000210174_100000091854 [0,2,0,0,0,0|0,0,1]=3 5538 B19R0.9202 CCCCCCCCCCCC(=O)OCCN(C)CC 2230a_100000225621_100000091854 [0,2,0,0,0,0|0,0,0]=2 5539 B19R0.9202 CCCCCCCCCCCC(=O)OCCN(C)CC 269982a_100000225621_100000091854 [0,2,0,0,0,0|0,0,0]=2 5540 B19R0.9202 CCCCCCCCCCCC(=O)OCNC(C)C#N 2230a_100000737613_100020644155 [0,2,0,0,0,0|1,0,0]=3 5541 B19R0.9202 CCCCCCCCCCCC(=O)OCNC(C)CC 2230a_100000209981_100020644155 [0,2,0,0,0,0|0,0,0]=2 5542 B19R0.9202 CCCCCCCCCCCC(=O)OCN[C@H](C)CO 2230a_100000737577_100020644155 [0,2,0,0,0,0|1,0,0]=3 5543 B19R0.9202 CCCCCCCCCCCC(=O)OCOC(C)C#N 34a_100011218135_100020644155 [0,2,0,0,0,0|1,0,0]=3 5544 B19R0.9202 CCCCCCCCCCCC(=O)OCOC(C)CC 7a_100000210228_100020644155 [0,2,0,0,0,0|0,0,0]=2 5545 B19R0.9202 CCCCCCCCCCCC(=O)OCOC(C)CF 34a_100016041109_100020644155 [0,2,0,0,0,0|1,0,0]=3 5546 B19R0.9202 CCCCCCCCCCCC(=O)OCOC(C)CF 7a_100016041109_100020644155 [0,2,0,0,0,0|1,0,0]=3 5547 B19R0.9202 CCCCCCCCCCCC(=O)OCOC(C)CN 34a_100000210904_100020644155 [0,2,0,0,0,0|1,0,0]=3 5548 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(C)C#N 62a_100000703298_100020644155 [0,2,0,0,0,0|1,0,0]=3 5549 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(C)CC 62a_100000758301_100020644155 [0,2,0,0,0,0|0,0,0]=2 5550 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(C)CO 62a_100012180447_100020644155 [0,2,0,0,0,0|1,0,0]=3 5551 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(C)OC 62a_100009879195_100020644155 [0,2,0,0,0,0|1,0,0]=3 5552 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(F)C#N 62a_200000117898_100020644155 [0,2,0,0,0,0|1,0,1]=4 5553 B19R0.9202 CCCCCCCCCCCC(=O)OCS[C@H](C)CO 62a_100016084084_100020644155 [0,2,0,0,0,0|1,0,0]=3 5554 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 2708a_100000684558_100020591266 [0,2,0,0,0,0|2,0,0]=4 5555 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 2708a_100020591266_100000684558 [0,2,0,0,0,0|2,0,0]=4 5556 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 273464a_100000684558_100020591266 [0,2,0,0,0,0|2,0,0]=4 5557 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 273464a_100020591266_100000684558 [0,2,0,0,0,0|2,0,0]=4 5558 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 512a_100000684558_100020591266 [0,2,0,0,0,0|2,0,0]=4 5559 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 512a_100020591266_100000684558 [0,2,0,0,0,0|2,0,0]=4 5560 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CO 2708a_100000684558_106354213184 [0,2,0,0,0,0|2,0,0]=4 5561 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CO 273464a_100000684558_106354213184 [0,2,0,0,0,0|2,0,0]=4 5562 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CO 273464a_106354213184_100000684558 [0,2,0,0,0,0|2,0,0]=4 5563 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CO 512a_100000684558_106354213184 [0,2,0,0,0,0|2,0,0]=4 5564 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CO 512a_106354213184_100000684558 [0,2,0,0,0,0|2,0,0]=4 5565 B19R0.9202 CCCCCCCCCCNC(=O)NNCC(O)CC 273464a_100000684558_100015206393 [0,2,0,0,0,0|2,0,0]=4 5566 B19R0.9202 CCCCCCCCCCNC(=O)NNCC(O)CC 512a_100000684558_100015206393 [0,2,0,0,0,0|2,0,0]=4 5567 B19R0.9202 CCCCCCCCCCNC(=O)NNCC(O)CC 512a_100015206393_100000684558 [0,2,0,0,0,0|2,0,0]=4 5568 B19R0.9202 CCCCCCCCCCOC(=O)CNCC(C)CC 2230a_100020588543_100000210668 [0,2,0,0,0,0|2,0,0]=4 5569 B19R0.9202 CCCCCCCCCCOC(=O)CNCC(O)CC 2230a_100011218483_100000210668 [0,2,0,0,0,0|2,0,0]=4 5570 B19R0.9202 CCCCCCCCCCOC(=O)COCC(=O)CC 34a_100000725409_100000210668 [0,2,0,0,0,0|1,0,1]=4 5571 B19R0.9202 CCCCCCCCCCOC(=O)COCC(C)CN 34a_100000744482_100000210668 [0,2,0,0,0,0|2,0,0]=4 5572 B19R0.9202 CCCCCCCCCCOC(=O)COCC(C)OC 34a_100000690652_100000210668 [0,2,0,0,0,0|2,0,0]=4 5573 B19R0.9202 CCCCCCCCCCOC(=O)COCC(Cl)CCl 34a_100000033668_100000210668 [0,2,0,0,0,0|2,0,0]=4 5574 B19R0.9202 CCCCCCCCCCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000210668 [0,2,0,0,0,0|1,0,0]=3 5575 B19R0.9202 CCCCCCCCCCOC(=O)COC[C@H](F)CN 34a_100015665980_100000210668 [0,2,0,0,0,0|2,0,0]=4 5576 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(C)CC 62a_100000680656_100000748023 [0,2,0,0,0,0|1,1,0]=4 5577 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(C)CC 62a_100000748023_100000680656 [0,2,0,0,0,0|1,1,0]=4 5578 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(O)CC 62a_100000680656_100011218378 [0,2,0,0,0,0|1,1,0]=4 5579 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(O)CC 62a_100011218378_100000680656 [0,2,0,0,0,0|1,1,0]=4 5580 B19R0.9202 CCCCCCCCCCOC(=O)CSC[C@@H](C)CC 62a_100000680656_100009816398 [0,2,0,0,0,0|1,1,0]=4 5581 B19R0.9202 CCCCCCCCCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000680656 [0,2,0,0,0,0|1,1,0]=4 5582 B19R0.9211 CC(C)(C)CCNC(=O)CCCCCCCCCCO 240690a_100000738805_200000016029 [0,2,0,0,0,0|2,0,0]=4 5583 B19R0.9211 CC(C)(F)CCNC(=O)CCCCCCCCCCO 240690a_100016253952_200000016029 [0,2,0,0,0,0|2,0,0]=4 5584 B19R0.9211 CCCCCCCCCCCC(=O)CCCS(=O)(=O)C 1458a_100000210736_100000754308 [0,2,0,0,0,0|2,0,0]=4 5585 B19R0.9211 CCCCCCCCCCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100011215454 [0,2,0,0,0,0|2,0,0]=4 5586 B19R0.9211 CCCCCCCCCCCC(=O)CCC[N+](C)(C)C 1458a_100000210736_100016990835 [0,2,0,0,0,0|2,0,0]=4 5587 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)C 11a_100000738805_100000210736 [0,2,0,0,0,0|1,0,0]=3 5588 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210736 [0,2,0,0,0,0|1,0,0]=3 5589 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210736 [0,2,0,0,0,0|1,0,0]=3 5590 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)F 11a_100016253952_100000210736 [0,2,0,0,0,0|1,0,0]=3 5591 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210736 [0,2,0,0,0,0|1,0,0]=3 5592 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210736 [0,2,0,0,0,0|1,0,0]=3 5593 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210736 [0,2,0,0,0,0|1,0,0]=3 5594 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(F)(F)F 11a_100000740434_100000210736 [0,2,0,0,0,0|2,0,0]=4 5595 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(F)(F)F 1626a_100000740434_100000210736 [0,2,0,0,0,0|2,0,0]=4 5596 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(F)(F)F 240690a_100000740434_100000210736 [0,2,0,0,0,0|2,0,0]=4 5597 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000210736 [0,2,0,0,0,0|2,0,0]=4 5598 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000210736 [0,2,0,0,0,0|2,0,0]=4 5599 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000210736 [0,2,0,0,0,0|2,0,0]=4 5600 B19R0.9211 CCCCCCCCCCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210736 [0,2,0,0,0,0|2,0,0]=4 5601 B19R0.9211 CCCCCCCCCCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210736 [0,2,0,0,0,0|2,0,0]=4 5602 B19R0.9211 CCCCCCCCCCCC(=O)OCNC(C)(C)C 2230a_100000715429_100020644155 [0,2,0,0,0,0|1,0,0]=3 5603 B19R0.9211 CCCCCCCCCCCC(=O)OCOC(C)(C)C 34a_100015890283_100020644155 [0,2,0,0,0,0|1,0,0]=3 5604 B19R0.9211 CCCCCCCCCCCC(=O)OCOC(C)(C)C 7a_100015890283_100020644155 [0,2,0,0,0,0|1,0,0]=3 5605 B19R0.9211 CCCCCCCCCCCC(=O)OCSC(C)(C)C 62a_100000211941_100020644155 [0,2,0,0,0,0|1,0,0]=3 5606 B19R0.9211 CCCCCCCCCCCC(=O)OCSC(F)(F)F 62a_200000243211_100020644155 [0,2,0,0,0,0|2,0,0]=4 5607 B19R0.9211 CCCCCCCCCCCC(C)OCCC(C)(C)O 34a_100011217895_100000702414 [0,2,0,0,0,0|1,0,1]=4 5608 B19R0.9211 CCCCCCCCCCCC(C)OCCC(C)(C)O 7a_100011217895_100000702414 [0,2,0,0,0,0|1,0,1]=4 5609 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 2708a_100000684558_100000738805 [0,2,0,0,0,0|2,0,0]=4 5610 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 2708a_100000738805_100000684558 [0,2,0,0,0,0|2,0,0]=4 5611 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 273464a_100000684558_100000738805 [0,2,0,0,0,0|2,0,0]=4 5612 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 273464a_100000738805_100000684558 [0,2,0,0,0,0|2,0,0]=4 5613 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 512a_100000684558_100000738805 [0,2,0,0,0,0|2,0,0]=4 5614 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 512a_100000738805_100000684558 [0,2,0,0,0,0|2,0,0]=4 5615 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 2708a_100000684558_100016253952 [0,2,0,0,0,0|2,0,0]=4 5616 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 2708a_100016253952_100000684558 [0,2,0,0,0,0|2,0,0]=4 5617 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 273464a_100000684558_100016253952 [0,2,0,0,0,0|2,0,0]=4 5618 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 273464a_100016253952_100000684558 [0,2,0,0,0,0|2,0,0]=4 5619 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 512a_100000684558_100016253952 [0,2,0,0,0,0|2,0,0]=4 5620 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 512a_100016253952_100000684558 [0,2,0,0,0,0|2,0,0]=4 5621 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 2708a_100000684558_100000707701 [0,2,0,0,0,0|2,0,0]=4 5622 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 2708a_100000707701_100000684558 [0,2,0,0,0,0|2,0,0]=4 5623 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 273464a_100000684558_100000707701 [0,2,0,0,0,0|2,0,0]=4 5624 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 273464a_100000707701_100000684558 [0,2,0,0,0,0|2,0,0]=4 5625 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 512a_100000684558_100000707701 [0,2,0,0,0,0|2,0,0]=4 5626 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 512a_100000707701_100000684558 [0,2,0,0,0,0|2,0,0]=4 5627 B19R0.14111 CC(C)CCN(C)C(=O)CCCCCCCCCCO 240690a_100000742789_200000016029 [0,2,0,0,0,0|2,0,0]=4 5628 B19R0.14111 CCCCCCCCCCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100011215454 [0,2,0,0,0,0|2,0,0]=4 5629 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCC(C)C 11a_100000742789_100000210736 [0,2,0,0,0,0|1,0,0]=3 5630 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210736 [0,2,0,0,0,0|1,0,0]=3 5631 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210736 [0,2,0,0,0,0|1,0,0]=3 5632 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000210736 [0,2,0,0,0,0|2,0,0]=4 5633 B19R0.14111 CCCCCCCCCCNC(=O)N(C)CCC(C)C 2708a_100000684558_100000742789 [0,2,0,0,0,0|2,0,0]=4 5634 B19R0.14111 CCCCCCCCCCNC(=O)N(C)CCC(C)C 273464a_100000684558_100000742789 [0,2,0,0,0,0|2,0,0]=4 5635 B19R0.25649 C=C(C)C(=O)COC(=O)CCCCCCCCCCC 1458a_100000185857_100020644155 [0,2,0,0,0,0|0,0,2]=4 5636 B19R0.25649 CC(C)C(O)CNC(=O)CCCCCCCCCCO 240690a_100000759067_200000016029 [0,2,0,0,0,0|2,0,0]=4 5637 B19R0.25649 CCCCCCCCCCCC(=O)CCN(C)C(C)C 1458a_100015184040_100011215454 [0,2,0,0,0,0|2,0,0]=4 5638 B19R0.25649 CCCCCCCCCCCC(=O)NCC(=O)C(C)C 1458a_100001278556_100000210206 [0,2,0,0,0,0|1,0,1]=4 5639 B19R0.25649 CCCCCCCCCCCC(=O)NCC(O)C(C)C 11a_100000759067_100000210736 [0,2,0,0,0,0|1,0,0]=3 5640 B19R0.25649 CCCCCCCCCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210736 [0,2,0,0,0,0|1,0,0]=3 5641 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)C(C)C 1458a_100000210198_100020644155 [0,2,0,0,0,0|0,0,1]=3 5642 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)C(C)F 1458a_100000062450_100020644155 [0,2,0,0,0,0|0,0,1]=3 5643 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)C(O)O 1458a_100000233687_100020644155 [0,2,0,0,0,0|1,0,1]=4 5644 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_100020644155 [0,2,0,0,0,0|0,0,1]=3 5645 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_100020644155 [0,2,0,0,0,0|0,0,1]=3 5646 B19R0.25649 CCCCCCCCCCCC(=O)OCN(C)C(C)C 269982a_200000211004_100020644155 [0,2,0,0,0,0|1,0,0]=3 5647 B19R0.25649 CCCCCCCCCCNC(=O)NCC(O)C(C)C 2708a_100000684558_100000759067 [0,2,0,0,0,0|2,0,0]=4 5648 B19R0.25649 CCCCCCCCCCNC(=O)NCC(O)C(C)C 273464a_100000684558_100000759067 [0,2,0,0,0,0|2,0,0]=4 5649 B19R0.25649 CCCCCCCCCCNC(=O)NCC(O)C(C)C 273464a_100000759067_100000684558 [0,2,0,0,0,0|2,0,0]=4 5650 B19R0.25649 CCCCCCCCCCNC(=O)NCC(O)C(C)C 512a_100000684558_100000759067 [0,2,0,0,0,0|2,0,0]=4 5651 B19R0.25649 CCCCCCCCCCNC(=O)NCC(O)C(C)C 512a_100000759067_100000684558 [0,2,0,0,0,0|2,0,0]=4 5652 B19R0.25655 CC(C)CCOC(=O)C(C)OCCCCCCCCO 34a_200000034679_100000033203 [0,2,0,0,0,0|2,0,0]=4 5653 B19R0.25655 CC(C)CCOC(=O)C(C)OCCCCCCCCO 7a_200000034679_100000033203 [0,2,0,0,0,0|2,0,0]=4 5654 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)C 11a_100000207566_100011216857 [0,2,0,0,0,0|2,0,0]=4 5655 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)C 1626a_100000207566_100011216857 [0,2,0,0,0,0|2,0,0]=4 5656 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)C 240690a_100000207566_100011216857 [0,2,0,0,0,0|2,0,0]=4 5657 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)C 527a_100000207566_100011216857 [0,2,0,0,0,0|2,0,0]=4 5658 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)O 1626a_100000207566_100000761597 [0,2,0,0,0,0|2,0,0]=4 5659 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)O 527a_100000207566_100000761597 [0,2,0,0,0,0|2,0,0]=4 5660 B19R0.25655 CCCCCCCCCCN(C)C(=O)NCCC(C)C 2708a_100000210545_100000207566 [0,2,0,0,0,0|2,0,0]=4 5661 B19R0.25655 CCCCCCCCCCN(C)C(=O)NCCC(C)C 273464a_100000210545_100000207566 [0,2,0,0,0,0|2,0,0]=4 5662 B19R0.25655 CCCCCCCCCCN(C)C(=O)NCCC(C)O 273464a_200000755665_100000207566 [0,2,0,0,0,0|2,0,0]=4 5663 B19R0.25655 CCCCCCCCCNC(C)C(=O)NCCC(C)C 2230a_100000212291_100000735922 [0,2,0,0,0,0|2,0,0]=4 5664 B19R0.25655 CCCCCCCCCNC(C)C(=O)NCCC(C)C 34a_100000212291_100000735922 [0,2,0,0,0,0|2,0,0]=4 5665 B19R0.25655 CCCCCCCCCOC(C)C(=O)NCCC(C)C 34a_100000210712_100000735922 [0,2,0,0,0,0|2,0,0]=4 5666 B19R0.25655 CCCCCCCCCOC(C)C(=O)NCCC(C)C 7a_100000210712_100000735922 [0,2,0,0,0,0|2,0,0]=4 5667 B19R0.25655 CCCCCCCCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100011214924 [0,2,0,0,0,0|1,0,0]=3 5668 B19R0.25655 CCCCCCCCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000210328 [0,2,0,0,0,0|1,0,0]=3 5669 B19R0.25655 CCCCCCCCCSC(C)C(=O)NCCC(C)C 62a_100000735922_100000210670 [0,2,0,0,0,0|2,0,0]=4 5670 B19R0.3126 CCCCN(C)C(=O)COCCCCCCCC(C)C 34a_200000210741_100000230175 [0,2,0,0,0,0|2,0,0]=4 5671 B19R0.3126 CCCCN(C)C(=O)COCCCCCCCC(C)C 7a_200000210741_100000230175 [0,2,0,0,0,0|2,0,0]=4 5672 B19R0.25739 CCCCCC(=O)CCCCCCCCCC(=O)OC 1458a_100000212188_100009813843 [0,2,0,0,0,0|1,0,1]=4 5673 B19R0.25739 CCCCCC(=O)CCCCCCCCCC(=O)OC 1458a_100009997464_100000210326 [0,2,0,0,0,0|1,0,1]=4 5674 B19R0.25739 CCCCNC(=O)CCCCCCCCCC(=O)OC 11a_100000102301_100009997464 [0,2,0,0,0,0|1,0,1]=4 5675 B19R0.25739 CCCCNC(=O)CCCCCCCCCC(=O)OC 1626a_100000102301_100009997464 [0,2,0,0,0,0|1,0,1]=4 5676 B19R0.25739 CCCCNC(=O)CCCCCCCCCC(=O)OC 240690a_100000102301_100009997464 [0,2,0,0,0,0|1,0,1]=4 5677 B19R0.25739 CCCCOC(=O)COCCCCCCCC(=O)OC 34a_100011022521_100000211628 [0,2,0,0,0,0|1,0,1]=4 5678 B19R0.25739 CCCCOC(=O)COCCCCCCCC(=O)OC 7a_100011022521_100000211628 [0,2,0,0,0,0|1,0,1]=4 5679 B19R0.25739 CCCCOC(=O)CSCCCCCCCC(=O)OC 62a_100000211628_100010004213 [0,2,0,0,0,0|1,0,1]=4 5680 B19R0.25739 CCCCOC(=O)CSCCCCCCCC(=O)OC 62a_100010004213_100000211628 [0,2,0,0,0,0|1,0,1]=4 5681 B19R0.26289 CCCCCNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000230301 [0,2,0,0,0,0|2,0,0]=4 5682 B19R0.26289 CCCCCNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000230301 [0,2,0,0,0,0|2,0,0]=4 5683 B19R0.26289 CCOCCOC(=O)COCCCCCCCC(C)C 34a_200000210741_200000101388 [0,2,0,0,0,0|1,0,0]=3 5684 B19R0.26289 CCOCCOC(=O)COCCCCCCCC(C)C 7a_200000210741_200000101388 [0,2,0,0,0,0|1,0,0]=3 5685 B19R0.26289 COCCCNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000183178 [0,2,0,0,0,0|2,0,0]=4 5686 B19R0.26289 COCCCNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000183178 [0,2,0,0,0,0|2,0,0]=4 5687 B19R0.26340 CCCCNC(=O)C(C)OCCCCCCCC(C)C 34a_200000210741_100000735917 [0,2,0,0,0,0|2,0,0]=4 5688 B19R0.26340 CCCCNC(=O)C(C)OCCCCCCCC(C)C 7a_200000210741_100000735917 [0,2,0,0,0,0|2,0,0]=4 5689 B19R0.26340 CCCCOC(=O)C(C)OCCCCCCCC(C)C 34a_200000210741_100000759602 [0,2,0,0,0,0|1,0,0]=3 5690 B19R0.26340 CCCCOC(=O)C(C)OCCCCCCCC(C)C 7a_200000210741_100000759602 [0,2,0,0,0,0|1,0,0]=3 5691 B19R0.7647 C#CCC(=O)COC(=O)CCCCCCCCCCC 1458a_100011220946_100020644155 [0,2,0,0,0,0|0,0,2]=4 5692 B19R0.7647 C#CCN(C)COC(=O)CCCCCCCCCCC 2230a_100000225692_100020644155 [0,2,0,0,0,0|0,0,2]=4 5693 B19R0.7647 C#CCN(C)COC(=O)CCCCCCCCCCC 34a_100000225692_100020644155 [0,2,0,0,0,0|0,0,2]=4 5694 B19R0.7647 C=CCC(=O)COC(=O)CCCCCCCCCCC 1458a_100000210193_100020644155 [0,2,0,0,0,0|0,0,2]=4 5695 B19R0.7647 C=CCN(C)COC(=O)CCCCCCCCCCC 2230a_100000225617_100020644155 [0,2,0,0,0,0|0,0,2]=4 5696 B19R0.7647 C=CCN(C)COC(=O)CCCCCCCCCCC 269982a_100000225617_100020644155 [0,2,0,0,0,0|0,0,2]=4 5697 B19R0.7647 CC#CC(=O)COC(=O)CCCCCCCCCCC 1458a_100000763181_100020644155 [0,2,0,0,0,0|0,0,2]=4 5698 B19R0.7647 CC=CC(=O)COC(=O)CCCCCCCCCCC 1458a_100000210699_100020644155 [0,2,0,0,0,0|0,0,2]=4 5699 B19R0.7647 CCCCCCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100011215454 [0,2,0,0,0,0|1,0,1]=4 5700 B19R0.7647 CCCCCCCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215454 [0,2,0,0,0,0|1,0,1]=4 5701 B19R0.7647 CCCCCCCCCCCC(=O)COC(=O)CCC 1458a_100000210736_100000034017 [0,2,0,0,0,0|0,0,1]=3 5702 B19R0.7647 CCCCCCCCCCCC(=O)NCC(=O)CCC 1458a_100001278556_100000210303 [0,2,0,0,0,0|1,0,0]=3 5703 B19R0.7647 CCCCCCCCCCCC(=O)NCC(=O)CCF 1458a_100001278556_100011217306 [0,2,0,0,0,0|1,0,1]=4 5704 B19R0.7647 CCCCCCCCCCCC(=O)NCC(=O)CCO 1458a_100001278556_100000211926 [0,2,0,0,0,0|1,0,1]=4 5705 B19R0.7647 CCCCCCCCCCCC(=O)NCC(=O)NCC 11a_100015525214_100001278556 [0,2,0,0,0,0|1,0,1]=4 5706 B19R0.7647 CCCCCCCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000210736 [0,2,0,0,0,0|1,0,1]=4 5707 B19R0.7647 CCCCCCCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000210736 [0,2,0,0,0,0|1,0,1]=4 5708 B19R0.7647 CCCCCCCCCCCC(=O)NCC(=O)NCC 240690a_100015525214_100001278556 [0,2,0,0,0,0|1,0,1]=4 5709 B19R0.7647 CCCCCCCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000210736 [0,2,0,0,0,0|1,0,1]=4 5710 B19R0.7647 CCCCCCCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210736 [0,2,0,0,0,0|1,0,1]=4 5711 B19R0.7647 CCCCCCCCCCCC(=O)NCC(O)COC 240690a_100000756049_100000210736 [0,2,0,0,0,0|1,0,0]=3 5712 B19R0.7647 CCCCCCCCCCCC(=O)NN=C(C)CCC 4a_200011219152_100000211909 [0,2,0,0,0,0|1,0,1]=4 5713 B19R0.7647 CCCCCCCCCCCC(=O)NNC(=O)CCC 22a_100000189770_100000210736 [0,2,0,0,0,0|1,0,1]=4 5714 B19R0.7647 CCCCCCCCCCCC(=O)OCC(=O)CC#N 1458a_100051588842_100020644155 [0,2,0,0,0,0|0,0,2]=4 5715 B19R0.7647 CCCCCCCCCCCC(=O)OCC(=O)CCC 1458a_100000211992_100020644155 [0,2,0,0,0,0|0,0,0]=2 5716 B19R0.7647 CCCCCCCCCCCC(=O)OCC(=O)CCO 1458a_100011216618_100020644155 [0,2,0,0,0,0|0,0,1]=3 5717 B19R0.7647 CCCCCCCCCCCC(=O)OCC(=O)COC 1458a_100000210968_100020644155 [0,2,0,0,0,0|0,0,1]=3 5718 B19R0.7647 CCCCCCCCCCCC(=O)OCC(=O)CSC 1458a_100000184570_100020644155 [0,2,0,0,0,0|0,0,1]=3 5719 B19R0.7647 CCCCCCCCCCCC(=O)OCN(C)CC#N 2230a_100000748184_100020644155 [0,2,0,0,0,0|1,0,1]=4 5720 B19R0.7647 CCCCCCCCCCCC(=O)OCN(C)CCC 2230a_100000747261_100020644155 [0,2,0,0,0,0|0,0,0]=2 5721 B19R0.7647 CCCCCCCCCCCC(=O)OCN(C)CCC 269982a_100000747261_100020644155 [0,2,0,0,0,0|0,0,0]=2 5722 B19R0.7647 CCCCCCCCCCCC(=O)OCN(C)CCO 2230a_100000210263_100020644155 [0,2,0,0,0,0|1,0,0]=3 5723 B19R0.7647 CCCCCCCCCCCC(=O)OCN(C)CCO 269982a_100000210263_100020644155 [0,2,0,0,0,0|1,0,0]=3 5724 B19R0.7647 CCCCCCCCCCNC(=O)NCC(O)COC 2708a_100000684558_100000756049 [0,2,0,0,0,0|2,0,0]=4 5725 B19R0.7647 CCCCCCCCCCNC(=O)NCC(O)COC 273464a_100000684558_100000756049 [0,2,0,0,0,0|2,0,0]=4 5726 B19R0.7647 CCCCCCCCCCNC(=O)NCC(O)COC 273464a_100000756049_100000684558 [0,2,0,0,0,0|2,0,0]=4 5727 B19R0.7647 CCCCCCCCCCNC(=O)NCC(O)COC 512a_100000684558_100000756049 [0,2,0,0,0,0|2,0,0]=4 5728 B19R0.7647 CCCCCCCCCCNC(=O)NCC(O)COC 512a_100000756049_100000684558 [0,2,0,0,0,0|2,0,0]=4 5729 B19R0.7647 CCCCCCCCCCOC(=O)CNC(C)CCC 2230a_100000741246_100000210668 [0,2,0,0,0,0|2,0,0]=4 5730 B19R0.7647 CCCCCCCCCCOC(=O)COC(C)CCBr 34a_100012276601_100000210668 [0,2,0,0,0,0|2,0,0]=4 5731 B19R0.7647 CCCCCCCCCCOC(=O)COC(C)CCC 34a_100000764384_100000210668 [0,2,0,0,0,0|1,0,0]=3 5732 B19R0.7647 CCCCCCCCCCOC(=O)COC(C)CCC 7a_100000764384_100000210668 [0,2,0,0,0,0|1,0,0]=3 5733 B19R0.7647 CCCCCCCCCCOC(=O)CO[C@H](C)COC 34a_100011934205_100000210668 [0,2,0,0,0,0|2,0,0]=4 5734 B19R0.7647 CCCCCCCCCCOC(=O)CSC(C)CCC 62a_100000680656_100000766640 [0,2,0,0,0,0|1,1,0]=4 5735 B19R0.7647 CCCCCCCCCCOC(=O)CSC(C)CCC 62a_100000766640_100000680656 [0,2,0,0,0,0|1,1,0]=4 5736 B19R0.7647 COCC(O)CNC(=O)CCCCCCCCCCO 240690a_100000756049_200000016029 [0,2,0,0,0,0|2,0,0]=4 5737 B19R0.9205 C=C(C)CCOCC(=O)OCCCCCCCCCC 34a_100000764851_100000210668 [0,2,0,0,0,0|1,0,1]=4 5738 B19R0.9205 C=C(C)COCOC(=O)CCCCCCCCCCC 34a_100000210245_100020644155 [0,2,0,0,0,0|0,0,1]=3 5739 B19R0.9205 C=C(C)CSCOC(=O)CCCCCCCCCCC 62a_100000748629_100020644155 [0,2,0,0,0,0|0,0,1]=3 5740 B19R0.9205 C=C(F)COCOC(=O)CCCCCCCCCCC 34a_200010262243_100020644155 [0,2,0,0,0,0|0,0,2]=4 5741 B19R0.9205 C=C(F)CSCOC(=O)CCCCCCCCCCC 62a_100000042424_100020644155 [0,2,0,0,0,0|0,0,2]=4 5742 B19R0.9205 CC(C)CCCNC(=O)CCCCCCCCCCO 240690a_200000737386_200000016029 [0,2,0,0,0,0|2,0,0]=4 5743 B19R0.9205 CC(C)OCCNC(=O)CCCCCCCCCCO 240690a_100000701111_200000016029 [0,2,0,0,0,0|2,0,0]=4 5744 B19R0.9205 CC(C)SCCNC(=O)CCCCCCCCCCO 240690a_100000731138_200000016029 [0,2,0,0,0,0|2,0,0]=4 5745 B19R0.9205 CCCCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215454 [0,2,0,0,0,0|1,0,1]=4 5746 B19R0.9205 CCCCCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210736_100000042594 [0,2,0,0,0,0|1,0,1]=4 5747 B19R0.9205 CCCCCCCCCCCC(=O)CCCOC(=S)C 1458a_100000210736_200135323944 [0,2,0,0,0,0|1,0,1]=4 5748 B19R0.9205 CCCCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210736_100000038929 [0,2,0,0,0,0|1,0,1]=4 5749 B19R0.9205 CCCCCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210736 [0,2,0,0,0,0|1,0,1]=4 5750 B19R0.9205 CCCCCCCCCCCC(=O)NCCCC(C)C 11a_200000737386_100000210736 [0,2,0,0,0,0|1,0,0]=3 5751 B19R0.9205 CCCCCCCCCCCC(=O)NCCCC(C)C 1626a_200000737386_100000210736 [0,2,0,0,0,0|1,0,0]=3 5752 B19R0.9205 CCCCCCCCCCCC(=O)NCCCC(C)C 240690a_200000737386_100000210736 [0,2,0,0,0,0|1,0,0]=3 5753 B19R0.9205 CCCCCCCCCCCC(=O)NCCCN(C)C 240690a_102531767803_100000210736 [0,2,0,0,0,0|1,0,0]=3 5754 B19R0.9205 CCCCCCCCCCCC(=O)NCCCS(=O)C 11a_200000753449_100000210736 [0,2,0,0,0,0|1,0,0]=3 5755 B19R0.9205 CCCCCCCCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000210736 [0,2,0,0,0,0|1,0,0]=3 5756 B19R0.9205 CCCCCCCCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000210736 [0,2,0,0,0,0|1,0,1]=4 5757 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000210736 [0,2,0,0,0,0|1,0,1]=4 5758 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000210736 [0,2,0,0,0,0|1,0,1]=4 5759 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C 11a_100000701111_100000210736 [0,2,0,0,0,0|1,0,0]=3 5760 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C 1626a_100000701111_100000210736 [0,2,0,0,0,0|1,0,0]=3 5761 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C 240690a_100000701111_100000210736 [0,2,0,0,0,0|1,0,0]=3 5762 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C 34a_100007860320_100000210206 [0,2,0,0,0,0|1,0,0]=3 5763 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C 7a_100007860320_100000210206 [0,2,0,0,0,0|1,0,0]=3 5764 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000210736 [0,2,0,0,0,0|1,0,1]=4 5765 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000210736 [0,2,0,0,0,0|1,0,1]=4 5766 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(C)C 11a_100000731138_100000210736 [0,2,0,0,0,0|1,0,0]=3 5767 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(C)C 1626a_100000731138_100000210736 [0,2,0,0,0,0|1,0,0]=3 5768 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(C)C 240690a_100000731138_100000210736 [0,2,0,0,0,0|1,0,0]=3 5769 B19R0.9205 CCCCCCCCCCCC(=O)NN=CCC(C)C 4a_200011219152_100000185833 [0,2,0,0,0,0|1,0,1]=4 5770 B19R0.9205 CCCCCCCCCCCC(=O)NNCCN(C)C 22a_100000738145_100000210736 [0,2,0,0,0,0|2,0,0]=4 5771 B19R0.9205 CCCCCCCCCCCC(=O)OCCNC(C)C 2230a_100138425928_100000091854 [0,2,0,0,0,0|0,0,0]=2 5772 B19R0.9205 CCCCCCCCCCCC(=O)OCCNC(C)C 34a_100138425928_100000091854 [0,2,0,0,0,0|0,0,0]=2 5773 B19R0.9205 CCCCCCCCCCCC(=O)OCCOC(C)C 34a_100000212225_100000091854 [0,2,0,0,0,0|0,0,0]=2 5774 B19R0.9205 CCCCCCCCCCCC(=O)OCCSC(C)C 62a_100000210206_100000091854 [0,2,0,0,0,0|0,0,0]=2 5775 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(=O)N 2230a_100000711301_100020644155 [0,2,0,0,0,0|1,0,1]=4 5776 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(=O)O 269956a_100016091260_100020644155 [0,2,0,0,0,0|1,0,1]=4 5777 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(C)C 2230a_100000210953_100020644155 [0,2,0,0,0,0|0,0,0]=2 5778 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(C)C 34a_100000210953_100020644155 [0,2,0,0,0,0|0,0,0]=2 5779 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(C)O 2230a_100000210904_100020644155 [0,2,0,0,0,0|0,0,0]=2 5780 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(C)O 34a_100000210904_100020644155 [0,2,0,0,0,0|0,0,0]=2 5781 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(F)F 34a_100000765723_100020644155 [0,2,0,0,0,0|1,0,0]=3 5782 B19R0.9205 CCCCCCCCCCCC(=O)OCOCC(=O)C 34a_100000211253_100020644155 [0,2,0,0,0,0|0,0,1]=3 5783 B19R0.9205 CCCCCCCCCCCC(=O)OCOCC(C)Br 34a_100012180447_100020644155 [0,2,0,0,0,0|0,0,0]=2 5784 B19R0.9205 CCCCCCCCCCCC(=O)OCOCC(C)C 34a_100000210257_100020644155 [0,2,0,0,0,0|0,0,0]=2 5785 B19R0.9205 CCCCCCCCCCCC(=O)OCOCC(C)F 34a_100015925927_100020644155 [0,2,0,0,0,0|0,0,0]=2 5786 B19R0.9205 CCCCCCCCCCCC(=O)OCOCC(F)F 34a_100000743014_100020644155 [0,2,0,0,0,0|1,0,0]=3 5787 B19R0.9205 CCCCCCCCCCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100020644155 [0,2,0,0,0,0|0,0,0]=2 5788 B19R0.9205 CCCCCCCCCCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100020644155 [0,2,0,0,0,0|0,0,0]=2 5789 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(=O)N 62a_100000747473_100020644155 [0,2,0,0,0,0|1,0,1]=4 5790 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(=O)[O-] 62a_100020667443_100020644155 [0,2,0,0,0,0|1,0,1]=4 5791 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(C)C 62a_100000210624_100020644155 [0,2,0,0,0,0|0,0,0]=2 5792 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(C)O 62a_100011218427_100020644155 [0,2,0,0,0,0|0,0,0]=2 5793 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(F)F 62a_100011934356_100020644155 [0,2,0,0,0,0|1,0,0]=3 5794 B19R0.9205 CCCCCCCCCCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100020644155 [0,2,0,0,0,0|0,0,0]=2 5795 B19R0.9205 CCCCCCCCCCNC(=O)CCCCC(C)C 11a_100000684558_100011933920 [0,2,0,0,0,0|2,0,0]=4 5796 B19R0.9205 CCCCCCCCCCNC(=O)CCCCC(C)C 1626a_100000684558_100011933920 [0,2,0,0,0,0|2,0,0]=4 5797 B19R0.9205 CCCCCCCCCCNC(=O)CCCCC(C)C 240690a_100000684558_100011933920 [0,2,0,0,0,0|2,0,0]=4 5798 B19R0.9205 CCCCCCCCCCNC(=O)CCCCC(C)C 527a_100000684558_100011933920 [0,2,0,0,0,0|2,0,0]=4 5799 B19R0.9205 CCCCCCCCCCNC(=O)CCCCN(C)C 11a_100000684558_100000751710 [0,2,0,0,0,0|2,0,0]=4 5800 B19R0.9205 CCCCCCCCCCNC(=O)CCCCN(C)C 240690a_100000684558_100000751710 [0,2,0,0,0,0|2,0,0]=4 5801 B19R0.9205 CCCCCCCCCCNC(=O)CCCCN(C)C 527a_100000684558_100000751710 [0,2,0,0,0,0|2,0,0]=4 5802 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 2708a_100000684558_200000737386 [0,2,0,0,0,0|2,0,0]=4 5803 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 2708a_200000737386_100000684558 [0,2,0,0,0,0|2,0,0]=4 5804 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 273464a_100000684558_200000737386 [0,2,0,0,0,0|2,0,0]=4 5805 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 273464a_200000737386_100000684558 [0,2,0,0,0,0|2,0,0]=4 5806 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 512a_100000684558_200000737386 [0,2,0,0,0,0|2,0,0]=4 5807 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 512a_200000737386_100000684558 [0,2,0,0,0,0|2,0,0]=4 5808 B19R0.9205 CCCCCCCCCCNC(=O)NCCCN(C)C 2708a_100000684558_102531767803 [0,2,0,0,0,0|2,0,0]=4 5809 B19R0.9205 CCCCCCCCCCNC(=O)NCCCN(C)C 273464a_100000684558_102531767803 [0,2,0,0,0,0|2,0,0]=4 5810 B19R0.9205 CCCCCCCCCCNC(=O)NCCCN(C)C 273464a_102531767803_100000684558 [0,2,0,0,0,0|2,0,0]=4 5811 B19R0.9205 CCCCCCCCCCNC(=O)NCCCN(C)C 512a_100000684558_102531767803 [0,2,0,0,0,0|2,0,0]=4 5812 B19R0.9205 CCCCCCCCCCNC(=O)NCCCN(C)C 512a_102531767803_100000684558 [0,2,0,0,0,0|2,0,0]=4 5813 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 2708a_100000684558_200000753449 [0,2,0,0,0,0|2,0,0]=4 5814 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 2708a_200000753449_100000684558 [0,2,0,0,0,0|2,0,0]=4 5815 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 273464a_100000684558_200000753449 [0,2,0,0,0,0|2,0,0]=4 5816 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 273464a_200000753449_100000684558 [0,2,0,0,0,0|2,0,0]=4 5817 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 512a_100000684558_200000753449 [0,2,0,0,0,0|2,0,0]=4 5818 B19R0.9205 CCCCCCCCCCNC(=O)NCCCS(=O)C 512a_200000753449_100000684558 [0,2,0,0,0,0|2,0,0]=4 5819 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 2708a_100000684558_100000701111 [0,2,0,0,0,0|2,0,0]=4 5820 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 2708a_100000701111_100000684558 [0,2,0,0,0,0|2,0,0]=4 5821 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 273464a_100000684558_100000701111 [0,2,0,0,0,0|2,0,0]=4 5822 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 273464a_100000701111_100000684558 [0,2,0,0,0,0|2,0,0]=4 5823 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 512a_100000684558_100000701111 [0,2,0,0,0,0|2,0,0]=4 5824 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 512a_100000701111_100000684558 [0,2,0,0,0,0|2,0,0]=4 5825 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 2708a_100000684558_100000731138 [0,2,0,0,0,0|2,0,0]=4 5826 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 2708a_100000731138_100000684558 [0,2,0,0,0,0|2,0,0]=4 5827 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 273464a_100000684558_100000731138 [0,2,0,0,0,0|2,0,0]=4 5828 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 273464a_100000731138_100000684558 [0,2,0,0,0,0|2,0,0]=4 5829 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 512a_100000684558_100000731138 [0,2,0,0,0,0|2,0,0]=4 5830 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 512a_100000731138_100000684558 [0,2,0,0,0,0|2,0,0]=4 5831 B19R0.9205 CCCCCCCCCCOC(=O)CNCCC(C)O 2230a_200000755665_100000210668 [0,2,0,0,0,0|2,0,0]=4 5832 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(=O)C 34a_100000759926_100000210668 [0,2,0,0,0,0|1,0,1]=4 5833 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(=O)C 7a_100000759926_100000210668 [0,2,0,0,0,0|1,0,1]=4 5834 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(C)Br 34a_100009893172_100000210668 [0,2,0,0,0,0|1,0,0]=3 5835 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(C)C 34a_100000210254_100000210668 [0,2,0,0,0,0|1,0,0]=3 5836 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(C)C 7a_100000210254_100000210668 [0,2,0,0,0,0|1,0,0]=3 5837 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(F)F 34a_100103093639_100000210668 [0,2,0,0,0,0|2,0,0]=4 5838 B19R0.9205 CCCCCCCCCCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000210668 [0,2,0,0,0,0|1,0,0]=3 5839 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(C)C 62a_100000210312_100000680656 [0,2,0,0,0,0|1,1,0]=4 5840 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(C)C 62a_100000680656_100000210312 [0,2,0,0,0,0|1,1,0]=4 5841 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(C)O 62a_100000680656_100012276601 [0,2,0,0,0,0|1,1,0]=4 5842 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(C)O 62a_100012276601_100000680656 [0,2,0,0,0,0|1,1,0]=4 5843 B19R0.9205 CN(C)CCCNC(=O)CCCCCCCCCCO 240690a_102531767803_200000016029 [0,2,0,0,0,0|2,0,0]=4 5844 B19R0.9205 CS(=O)CCCNC(=O)CCCCCCCCCCO 240690a_200000753449_200000016029 [0,2,0,0,0,0|2,0,0]=4 5845 B19R0.9213 C#CCCCCCC(=O)NCCCCCCCCCC 11a_100000684558_100000694772 [0,2,0,0,0,0|2,0,0]=4 5846 B19R0.9213 C#CCCCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000694772 [0,2,0,0,0,0|2,0,0]=4 5847 B19R0.9213 C#CCCCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000694772 [0,2,0,0,0,0|2,0,0]=4 5848 B19R0.9213 C#CCCCCCC(=O)NCCCCCCCCCC 527a_100000684558_100000694772 [0,2,0,0,0,0|2,0,0]=4 5849 B19R0.9213 C#CCCCCNC(=O)CCCCCCCCCCC 11a_100000706060_100000210736 [0,2,0,0,0,0|1,0,0]=3 5850 B19R0.9213 C#CCCCCNC(=O)CCCCCCCCCCC 1626a_100000706060_100000210736 [0,2,0,0,0,0|1,0,0]=3 5851 B19R0.9213 C#CCCCCNC(=O)CCCCCCCCCCC 240690a_100000706060_100000210736 [0,2,0,0,0,0|1,0,0]=3 5852 B19R0.9213 C#CCCCCNC(=O)CCCCCCCCCCO 240690a_100000706060_200000016029 [0,2,0,0,0,0|2,0,0]=4 5853 B19R0.9213 C#CCCCCNC(=O)NCCCCCCCCCC 2708a_100000684558_100000706060 [0,2,0,0,0,0|2,0,0]=4 5854 B19R0.9213 C#CCCCCNC(=O)NCCCCCCCCCC 2708a_100000706060_100000684558 [0,2,0,0,0,0|2,0,0]=4 5855 B19R0.9213 C#CCCCCNC(=O)NCCCCCCCCCC 273464a_100000684558_100000706060 [0,2,0,0,0,0|2,0,0]=4 5856 B19R0.9213 C#CCCCCNC(=O)NCCCCCCCCCC 273464a_100000706060_100000684558 [0,2,0,0,0,0|2,0,0]=4 5857 B19R0.9213 C#CCCCCNC(=O)NCCCCCCCCCC 512a_100000684558_100000706060 [0,2,0,0,0,0|2,0,0]=4 5858 B19R0.9213 C#CCCCCNC(=O)NCCCCCCCCCC 512a_100000706060_100000684558 [0,2,0,0,0,0|2,0,0]=4 5859 B19R0.9213 C#CCCCOCC(=O)OCCCCCCCCCC 34a_100000215630_100000210668 [0,2,0,0,0,0|1,0,1]=4 5860 B19R0.9213 C#CCCCOCC(=O)OCCCCCCCCCC 7a_100000215630_100000210668 [0,2,0,0,0,0|1,0,1]=4 5861 B19R0.9213 C#CCCNCOC(=O)CCCCCCCCCCC 34a_100000755551_100020644155 [0,2,0,0,0,0|0,0,1]=3 5862 B19R0.9213 C#CCCOCOC(=O)CCCCCCCCCCC 34a_100011215631_100020644155 [0,2,0,0,0,0|0,0,1]=3 5863 B19R0.9213 C#CCCSCOC(=O)CCCCCCCCCCC 62a_100000688953_100020644155 [0,2,0,0,0,0|0,0,1]=3 5864 B19R0.9213 C#CCNCCOC(=O)CCCCCCCCCCC 34a_100000212058_100000091854 [0,2,0,0,0,0|0,0,1]=3 5865 B19R0.9213 C#CCOCCNC(=O)CCCCCCCCCCC 11a_100000700922_100000210736 [0,2,0,0,0,0|1,0,1]=4 5866 B19R0.9213 C#CCOCCNC(=O)CCCCCCCCCCC 1626a_100000700922_100000210736 [0,2,0,0,0,0|1,0,1]=4 5867 B19R0.9213 C#CCOCCNC(=O)CCCCCCCCCCC 240690a_100000700922_100000210736 [0,2,0,0,0,0|1,0,1]=4 5868 B19R0.9213 C#CCOCCNC(=O)CCCCCCCCCCC 34a_100007860320_100000184674 [0,2,0,0,0,0|1,0,1]=4 5869 B19R0.9213 C#CCOCCNC(=O)CCCCCCCCCCC 7a_100007860320_100000038162 [0,2,0,0,0,0|1,0,1]=4 5870 B19R0.9213 C#CCOCCOC(=O)CCCCCCCCCCC 34a_100000210247_100000091854 [0,2,0,0,0,0|0,0,1]=3 5871 B19R0.9213 C#CCSCCOC(=O)CCCCCCCCCCC 62a_100000038162_100000091854 [0,2,0,0,0,0|0,0,1]=3 5872 B19R0.9213 C/C=C/CCOCC(=O)OCCCCCCCCCC 34a_100016278192_100000210668 [0,2,0,0,0,0|1,0,1]=4 5873 B19R0.9213 C/C=C/COCOC(=O)CCCCCCCCCCC 34a_100016270725_100020644155 [0,2,0,0,0,0|0,0,1]=3 5874 B19R0.9213 C/C=C/CSCOC(=O)CCCCCCCCCCC 62a_100102629194_100020644155 [0,2,0,0,0,0|0,0,1]=3 5875 B19R0.9213 C=CCCCCNC(=O)NCCCCCCCCCC 2708a_100000684558_100000703577 [0,2,0,0,0,0|2,0,0]=4 5876 B19R0.9213 C=CCCCCNC(=O)NCCCCCCCCCC 2708a_100000703577_100000684558 [0,2,0,0,0,0|2,0,0]=4 5877 B19R0.9213 C=CCCCCNC(=O)NCCCCCCCCCC 273464a_100000684558_100000703577 [0,2,0,0,0,0|2,0,0]=4 5878 B19R0.9213 C=CCCCCNC(=O)NCCCCCCCCCC 273464a_100000703577_100000684558 [0,2,0,0,0,0|2,0,0]=4 5879 B19R0.9213 C=CCCCCNC(=O)NCCCCCCCCCC 512a_100000684558_100000703577 [0,2,0,0,0,0|2,0,0]=4 5880 B19R0.9213 C=CCCCCNC(=O)NCCCCCCCCCC 512a_100000703577_100000684558 [0,2,0,0,0,0|2,0,0]=4 5881 B19R0.9213 CC#CCCOCC(=O)OCCCCCCCCCC 34a_100000750427_100000210668 [0,2,0,0,0,0|1,0,1]=4 5882 B19R0.9213 CC#CCNCOC(=O)CCCCCCCCCCC 2230a_100000685387_100020644155 [0,2,0,0,0,0|0,0,1]=3 5883 B19R0.9213 CC#CCNCOC(=O)CCCCCCCCCCC 34a_100000685387_100020644155 [0,2,0,0,0,0|0,0,1]=3 5884 B19R0.9213 CC#CCOCOC(=O)CCCCCCCCCCC 34a_100000761923_100020644155 [0,2,0,0,0,0|0,0,1]=3 5885 B19R0.9213 CC#CCSCOC(=O)CCCCCCCCCCC 62a_100000748600_100020644155 [0,2,0,0,0,0|0,0,1]=3 5886 B19R0.9213 CC/C=C\COCC(=O)OCCCCCCCCCC 34a_100016268518_100000210668 [0,2,0,0,0,0|1,0,1]=4 5887 B19R0.9213 CC=CCSCOC(=O)CCCCCCCCCCC 62a_100000070051_100020644155 [0,2,0,0,0,0|0,0,1]=3 5888 B19R0.9213 CCC#CCOCC(=O)OCCCCCCCCCC 34a_100000032950_100000210668 [0,2,0,0,0,0|1,0,1]=4 5889 B19R0.9213 CCCC/C=C/CC(=O)NCCCCCCCCCC 11a_100000684558_200016282684 [0,2,0,0,0,0|2,0,0]=4 5890 B19R0.9213 CCCC/C=C/CC(=O)NCCCCCCCCCC 1626a_100000684558_200016282684 [0,2,0,0,0,0|2,0,0]=4 5891 B19R0.9213 CCCC/C=C/CC(=O)NCCCCCCCCCC 240690a_100000684558_200016282684 [0,2,0,0,0,0|2,0,0]=4 5892 B19R0.9213 CCCC/C=C/CC(=O)NCCCCCCCCCC 527a_100000684558_200016282684 [0,2,0,0,0,0|2,0,0]=4 5893 B19R0.9213 CCCCC=NNC(=O)CCCCCCCCCCC 4a_200011219152_100000210104 [0,2,0,0,0,0|1,0,0]=3 5894 B19R0.9213 CCCCCC#CC(=O)CCCCCCCCCCO 1458a_100011215388_100009813290 [0,2,0,0,0,0|2,0,0]=4 5895 B19R0.9213 CCCCCC#CC(=O)NCCCCCCCCCC 240690a_100000684558_100011215388 [0,2,0,0,0,0|2,0,0]=4 5896 B19R0.9213 CCCCCC=CC(=O)NCCCCCCCCCC 11a_100000684558_100016263427 [0,2,0,0,0,0|2,0,0]=4 5897 B19R0.9213 CCCCCC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100016263427 [0,2,0,0,0,0|2,0,0]=4 5898 B19R0.9213 CCCCCC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100016263427 [0,2,0,0,0,0|2,0,0]=4 5899 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCC#N 11a_100000751965_100000210736 [0,2,0,0,0,0|1,0,0]=3 5900 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCC#N 1626a_100000751965_100000210736 [0,2,0,0,0,0|1,0,0]=3 5901 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCC#N 240690a_100000751965_100000210736 [0,2,0,0,0,0|1,0,0]=3 5902 B19R0.9213 CCCCCCCCCCCC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100000210736 [0,2,0,0,0,0|2,0,0]=4 5903 B19R0.9213 CCCCCCCCCCCC(=O)NCCOCC#N 7a_100007860320_100011215382 [0,2,0,0,0,0|1,0,1]=4 5904 B19R0.9213 CCCCCCCCCCCC(=O)NN=CCCSC 4a_200011219152_100000210997 [0,2,0,0,0,0|1,0,1]=4 5905 B19R0.9213 CCCCCCCCCCCC(=O)OCCSCC#N 62a_100011215382_100000091854 [0,2,0,0,0,0|0,0,1]=3 5906 B19R0.9213 CCCCCCCCCCCC(=O)OCSCCC#N 62a_100011215226_100020644155 [0,2,0,0,0,0|0,0,1]=3 5907 B19R0.9213 CCCCCCCCCCCC(=O)OCSCSC#N 62a_100000211825_100020644155 [0,2,0,0,0,0|1,0,1]=4 5908 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCC#N 2708a_100000684558_100000751965 [0,2,0,0,0,0|2,0,0]=4 5909 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCC#N 2708a_100000751965_100000684558 [0,2,0,0,0,0|2,0,0]=4 5910 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCC#N 273464a_100000684558_100000751965 [0,2,0,0,0,0|2,0,0]=4 5911 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCC#N 273464a_100000751965_100000684558 [0,2,0,0,0,0|2,0,0]=4 5912 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCC#N 512a_100000684558_100000751965 [0,2,0,0,0,0|2,0,0]=4 5913 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCC#N 512a_100000751965_100000684558 [0,2,0,0,0,0|2,0,0]=4 5914 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCCC 2708a_100000210581_100000684558 [0,2,0,0,0,0|2,0,0]=4 5915 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCCC 2708a_100000684558_100000210581 [0,2,0,0,0,0|2,0,0]=4 5916 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCCC 273464a_100000210581_100000684558 [0,2,0,0,0,0|2,0,0]=4 5917 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCCC 273464a_100000684558_100000210581 [0,2,0,0,0,0|2,0,0]=4 5918 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCCC 512a_100000210581_100000684558 [0,2,0,0,0,0|2,0,0]=4 5919 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCCC 512a_100000684558_100000210581 [0,2,0,0,0,0|2,0,0]=4 5920 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCCO 2708a_100000684558_100000762737 [0,2,0,0,0,0|2,0,0]=4 5921 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCCO 273464a_100000684558_100000762737 [0,2,0,0,0,0|2,0,0]=4 5922 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCCO 273464a_100000762737_100000684558 [0,2,0,0,0,0|2,0,0]=4 5923 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCCO 512a_100000684558_100000762737 [0,2,0,0,0,0|2,0,0]=4 5924 B19R0.9213 CCCCCCCCCCNC(=O)NCCCCCO 512a_100000762737_100000684558 [0,2,0,0,0,0|2,0,0]=4 5925 B19R0.9213 CCCCCCCCCCNC(=O)NCCCOCC 2708a_100000210961_100000684558 [0,2,0,0,0,0|2,0,0]=4 5926 B19R0.9213 CCCCCCCCCCNC(=O)NCCCOCC 2708a_100000684558_100000210961 [0,2,0,0,0,0|2,0,0]=4 5927 B19R0.9213 CCCCCCCCCCNC(=O)NCCCOCC 273464a_100000210961_100000684558 [0,2,0,0,0,0|2,0,0]=4 5928 B19R0.9213 CCCCCCCCCCNC(=O)NCCCOCC 273464a_100000684558_100000210961 [0,2,0,0,0,0|2,0,0]=4 5929 B19R0.9213 CCCCCCCCCCNC(=O)NCCCOCC 512a_100000210961_100000684558 [0,2,0,0,0,0|2,0,0]=4 5930 B19R0.9213 CCCCCCCCCCNC(=O)NCCCOCC 512a_100000684558_100000210961 [0,2,0,0,0,0|2,0,0]=4 5931 B19R0.9213 CCCCCCCCCCNC(=O)NCCOCCC 2708a_100000684558_100161115042 [0,2,0,0,0,0|2,0,0]=4 5932 B19R0.9213 CCCCCCCCCCNC(=O)NCCOCCC 2708a_100161115042_100000684558 [0,2,0,0,0,0|2,0,0]=4 5933 B19R0.9213 CCCCCCCCCCNC(=O)NCCOCCC 273464a_100000684558_100161115042 [0,2,0,0,0,0|2,0,0]=4 5934 B19R0.9213 CCCCCCCCCCNC(=O)NCCOCCC 273464a_100161115042_100000684558 [0,2,0,0,0,0|2,0,0]=4 5935 B19R0.9213 CCCCCCCCCCNC(=O)NCCOCCC 512a_100000684558_100161115042 [0,2,0,0,0,0|2,0,0]=4 5936 B19R0.9213 CCCCCCCCCCNC(=O)NCCOCCC 512a_100161115042_100000684558 [0,2,0,0,0,0|2,0,0]=4 5937 B19R0.9213 CCCCCCCCCCNC(=O)NCCOCCO 2708a_100000684558_100000211614 [0,2,0,0,0,0|2,0,0]=4 5938 B19R0.9213 CCCCCCCCCCNC(=O)NCCOCCO 273464a_100000211614_100000684558 [0,2,0,0,0,0|2,0,0]=4 5939 B19R0.9213 CCCCCCCCCCNC(=O)NCCOCCO 273464a_100000684558_100000211614 [0,2,0,0,0,0|2,0,0]=4 5940 B19R0.9213 CCCCCCCCCCNC(=O)NCCOCCO 512a_100000211614_100000684558 [0,2,0,0,0,0|2,0,0]=4 5941 B19R0.9213 CCCCCCCCCCNC(=O)NCCSCCC 2708a_100000684558_100020603323 [0,2,0,0,0,0|2,0,0]=4 5942 B19R0.9213 CCCCCCCCCCNC(=O)NCCSCCC 2708a_100020603323_100000684558 [0,2,0,0,0,0|2,0,0]=4 5943 B19R0.9213 CCCCCCCCCCNC(=O)NCCSCCC 273464a_100000684558_100020603323 [0,2,0,0,0,0|2,0,0]=4 5944 B19R0.9213 CCCCCCCCCCNC(=O)NCCSCCC 273464a_100020603323_100000684558 [0,2,0,0,0,0|2,0,0]=4 5945 B19R0.9213 CCCCCCCCCCNC(=O)NCCSCCC 512a_100000684558_100020603323 [0,2,0,0,0,0|2,0,0]=4 5946 B19R0.9213 CCCCCCCCCCNC(=O)NCCSCCC 512a_100020603323_100000684558 [0,2,0,0,0,0|2,0,0]=4 5947 B19R0.9213 CCCCCCCCCCNC(=O)NCCSCCO 2708a_100000684558_100011219999 [0,2,0,0,0,0|2,0,0]=4 5948 B19R0.9213 CCCCCCCCCCNC(=O)NCCSCCO 273464a_100000684558_100011219999 [0,2,0,0,0,0|2,0,0]=4 5949 B19R0.9213 CCCCCCCCCCNC(=O)NCCSCCO 273464a_100011219999_100000684558 [0,2,0,0,0,0|2,0,0]=4 5950 B19R0.9213 CCCCCCCCCCNC(=O)NCCSCCO 512a_100000684558_100011219999 [0,2,0,0,0,0|2,0,0]=4 5951 B19R0.9213 CCCCCCCCCCNC(=O)NCCSCCO 512a_100011219999_100000684558 [0,2,0,0,0,0|2,0,0]=4 5952 B19R0.9213 CCCCCCCCCCNC(=O)NNCCCCC 273464a_100000684558_100000694160 [0,2,0,0,0,0|2,0,0]=4 5953 B19R0.9213 CCCCCCCCCCNC(=O)NNCCCCC 512a_100000684558_100000694160 [0,2,0,0,0,0|2,0,0]=4 5954 B19R0.9213 CCCCCCCCCCNC(=O)NNCCCCC 512a_100000694160_100000684558 [0,2,0,0,0,0|2,0,0]=4 5955 B19R0.9213 CCCCCCCCCCNC(=O)NNCCCOC 273464a_100000684558_100025702787 [0,2,0,0,0,0|2,0,0]=4 5956 B19R0.9213 CCCCCCCCCCNC(=O)NNCCCOC 512a_100000684558_100025702787 [0,2,0,0,0,0|2,0,0]=4 5957 B19R0.9213 CCCCCCCCCCNC(=O)NNCCOCC 273464a_100000684558_100000732670 [0,2,0,0,0,0|2,0,0]=4 5958 B19R0.9213 CCCCCCCCCCNC(=O)NNCCOCC 512a_100000684558_100000732670 [0,2,0,0,0,0|2,0,0]=4 5959 B19R0.9213 CCCCCCCCCCNC(=O)NNCCOCC 512a_100000732670_100000684558 [0,2,0,0,0,0|2,0,0]=4 5960 B19R0.9213 N#CCCCCNC(=O)CCCCCCCCCCO 240690a_100000751965_200000016029 [0,2,0,0,0,0|2,0,0]=4 5961 B19R0.13888 CCCCC=CC(=O)N(C)CCCCCCCCCC 11a_100000207566_100016266645 [0,2,0,0,0,0|2,0,0]=4 5962 B19R0.13888 CCCCC=CC(=O)N(C)CCCCCCCCCC 1626a_100000207566_100016266645 [0,2,0,0,0,0|2,0,0]=4 5963 B19R0.13888 CCCCC=CC(=O)N(C)CCCCCCCCCC 240690a_100000207566_100016266645 [0,2,0,0,0,0|2,0,0]=4 5964 B19R0.13888 CCCCCCCCCCN(C)C(=O)CCCCCC 11a_100000207566_100102632555 [0,2,0,0,0,0|2,0,0]=4 5965 B19R0.13888 CCCCCCCCCCN(C)C(=O)CCCCCC 1626a_100000207566_100102632555 [0,2,0,0,0,0|2,0,0]=4 5966 B19R0.13888 CCCCCCCCCCN(C)C(=O)CCCCCC 240690a_100000207566_100102632555 [0,2,0,0,0,0|2,0,0]=4 5967 B19R0.13888 CCCCCCCCCCN(C)C(=O)CCCCCC 527a_100000207566_100102632555 [0,2,0,0,0,0|2,0,0]=4 5968 B19R0.13888 CCCCCCCCCCN(C)C(=O)CCCCCO 240690a_100000207566_100102619762 [0,2,0,0,0,0|2,0,0]=4 5969 B19R0.13888 CCCCCCCCCCN(C)C(=O)COCCCC 11a_100000207566_100000757543 [0,2,0,0,0,0|1,0,0]=3 5970 B19R0.13888 CCCCCCCCCCN(C)C(=O)COCCCC 1626a_100000207566_100000757543 [0,2,0,0,0,0|1,0,0]=3 5971 B19R0.13888 CCCCCCCCCCN(C)C(=O)COCCCC 240690a_100000207566_100000757543 [0,2,0,0,0,0|1,0,0]=3 5972 B19R0.13888 CCCCCCCCCCN(C)C(=O)COCCCC 527a_100000207566_100000757543 [0,2,0,0,0,0|1,0,0]=3 5973 B19R0.13888 CCCCCCCCCCN(C)C(=O)COCCOC 11a_100000207566_100000211095 [0,2,0,0,0,0|2,0,0]=4 5974 B19R0.13888 CCCCCCCCCCN(C)C(=O)COCCOC 1626a_100000207566_100000211095 [0,2,0,0,0,0|2,0,0]=4 5975 B19R0.13888 CCCCCCCCCCN(C)C(=O)COCCOC 240690a_100000207566_100000211095 [0,2,0,0,0,0|2,0,0]=4 5976 B19R0.13888 CCCCCCCCCCN(C)C(=O)COCCOC 527a_100000207566_100000211095 [0,2,0,0,0,0|2,0,0]=4 5977 B19R0.13888 CCCCCCCCCCN(C)C(=O)CSCCCC 11a_100000207566_100000191162 [0,2,0,0,0,0|1,1,0]=4 5978 B19R0.13888 CCCCCCCCCCN(C)C(=O)CSCCCC 1626a_100000207566_100000191162 [0,2,0,0,0,0|1,1,0]=4 5979 B19R0.13888 CCCCCCCCCCN(C)C(=O)CSCCCC 240690a_100000207566_100000191162 [0,2,0,0,0,0|1,1,0]=4 5980 B19R0.13888 CCCCCCCCCCN(C)C(=O)CSCCCC 527a_100000207566_100000191162 [0,2,0,0,0,0|1,1,0]=4 5981 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCCCC 2708a_100000209983_100000207566 [0,2,0,0,0,0|2,0,0]=4 5982 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCCCC 273464a_100000209983_100000207566 [0,2,0,0,0,0|2,0,0]=4 5983 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCCCO 2708a_100000750430_100000207566 [0,2,0,0,0,0|2,0,0]=4 5984 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCCCO 273464a_100000750430_100000207566 [0,2,0,0,0,0|2,0,0]=4 5985 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCCOC 2708a_100150723488_100000207566 [0,2,0,0,0,0|2,0,0]=4 5986 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCCOC 273464a_100150723488_100000207566 [0,2,0,0,0,0|2,0,0]=4 5987 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCCSC 2708a_100000749238_100000207566 [0,2,0,0,0,0|2,0,0]=4 5988 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCCSC 273464a_100000749238_100000207566 [0,2,0,0,0,0|2,0,0]=4 5989 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCOCC 2708a_100011200944_100000207566 [0,2,0,0,0,0|2,0,0]=4 5990 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCOCC 273464a_102516460346_100000207566 [0,2,0,0,0,0|2,0,0]=4 5991 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCSCC 2708a_100000106463_100000207566 [0,2,0,0,0,0|2,0,0]=4 5992 B19R0.13888 CCCCCCCCCCN(C)C(=O)NCCSCC 273464a_100000106463_100000207566 [0,2,0,0,0,0|2,0,0]=4 5993 B19R0.13888 CCCCCCCCCNC(C)C(=O)NCCCCC 2230a_100000212291_100000735910 [0,2,0,0,0,0|2,0,0]=4 5994 B19R0.13888 CCCCCCCCCNC(C)C(=O)NCCCOC 2230a_100000212291_100000735919 [0,2,0,0,0,0|2,0,0]=4 5995 B19R0.13888 CCCCCCCCCOC(C)C(=O)NCCCCC 7a_100000210712_100000735910 [0,2,0,0,0,0|2,0,0]=4 5996 B19R0.13888 CCCCCCCCCOC(C)C(=O)NCCCOC 7a_100000210712_100000735919 [0,2,0,0,0,0|2,0,0]=4 5997 B19R0.13888 CCCCCCCCCSC(C)C(=O)NCCCCC 62a_100000735910_100000210670 [0,2,0,0,0,0|2,0,0]=4 5998 B19R0.13888 CCCCCCCCCSC(C)C(=O)NCCCOC 62a_100000735919_100000210670 [0,2,0,0,0,0|2,0,0]=4 5999 B19R0.14260 CCCCOCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100011995733 [0,2,0,0,0,0|1,0,1]=4 6000 B19R0.14260 CCCCOCC(=O)CCCCCCCCC(=O)OC 1458a_100000757543_100010282707 [0,2,0,0,0,0|1,0,1]=4 6001 B19R0.15673 CCCCC(C)CCCCOCC(=O)NCCCOC 34a_200011021034_100000183178 [0,2,0,0,0,0|2,0,0]=4 6002 B19R0.15673 CCCCC(C)CCCCOCC(=O)NCCCOC 7a_200011021034_100000183178 [0,2,0,0,0,0|2,0,0]=4 6003 B19R0.15673 CCCCC(C)CCCCOCC(=O)OCCOCC 34a_200011021034_200000101388 [0,2,0,0,0,0|1,0,0]=3 6004 B19R0.15673 CCCCC(C)CCCCOCC(=O)OCCOCC 7a_200011021034_200000101388 [0,2,0,0,0,0|1,0,0]=3 6005 B19R0.15673 CCCCCNC(=O)COCCCCC(C)CCCC 34a_200011021034_100000230301 [0,2,0,0,0,0|2,0,0]=4 6006 B19R0.15673 CCCCCNC(=O)COCCCCC(C)CCCC 7a_200011021034_100000230301 [0,2,0,0,0,0|2,0,0]=4 6007 B19R0.15691 CCCCCCC(C)CCOCC(=O)NCCCCC 34a_200011024964_100000230301 [0,2,0,0,0,0|2,0,0]=4 6008 B19R0.15691 CCCCCCC(C)CCOCC(=O)NCCCCC 7a_200011024964_100000230301 [0,2,0,0,0,0|2,0,0]=4 6009 B19R0.15691 CCCCCCC(C)CCOCC(=O)NCCCOC 34a_200011024964_100000183178 [0,2,0,0,0,0|2,0,0]=4 6010 B19R0.15691 CCCCCCC(C)CCOCC(=O)NCCCOC 7a_200011024964_100000183178 [0,2,0,0,0,0|2,0,0]=4 6011 B19R0.15691 CCCCCCC(C)CCOCC(=O)OCCOCC 34a_200011024964_200000101388 [0,2,0,0,0,0|1,0,0]=3 6012 B19R0.15691 CCCCCCC(C)CCOCC(=O)OCCOCC 7a_200011024964_200000101388 [0,2,0,0,0,0|1,0,0]=3 6013 B19R0.18065 C#CCCCCC(=O)NCCCCCCCCCCC 11a_200011215754_100000696528 [0,2,0,0,0,0|1,0,1]=4 6014 B19R0.18065 C#CCCCCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000696528 [0,2,0,0,0,0|1,0,1]=4 6015 B19R0.18065 C#CCCCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000696528 [0,2,0,0,0,0|1,0,1]=4 6016 B19R0.18065 C#CCCCCC(=O)NCCCCCCCCCCC 527a_200011215754_100000696528 [0,2,0,0,0,0|1,0,1]=4 6017 B19R0.18065 C#CCCCCCCCCOCC(=O)OCCOCC 34a_100000065265_200000101388 [0,2,0,0,0,0|0,0,2]=4 6018 B19R0.18065 C#CCCCCCCCCOCC(=O)OCCOCC 7a_100000065265_200000101388 [0,2,0,0,0,0|0,0,2]=4 6019 B19R0.18065 C#CCCCNC(=O)CCCCCCCCCCCC 11a_100000718082_100011215791 [0,2,0,0,0,0|1,0,1]=4 6020 B19R0.18065 C#CCCCNC(=O)CCCCCCCCCCCC 1626a_100000718082_100011215791 [0,2,0,0,0,0|1,0,1]=4 6021 B19R0.18065 C#CCCCNC(=O)CCCCCCCCCCCC 240690a_100000718082_100011215791 [0,2,0,0,0,0|1,0,1]=4 6022 B19R0.18065 C#CCCCNC(=O)CCCCCCCCCCCO 240690a_100000718082_100000037981 [0,2,0,0,0,0|1,0,1]=4 6023 B19R0.18065 C#CCCCNC(=O)NCCCCCCCCCCC 2708a_100000718082_200011215754 [0,2,0,0,0,0|1,0,1]=4 6024 B19R0.18065 C#CCCCNC(=O)NCCCCCCCCCCC 2708a_200011215754_100000718082 [0,2,0,0,0,0|1,0,1]=4 6025 B19R0.18065 C#CCCCNC(=O)NCCCCCCCCCCC 273464a_100000718082_200011215754 [0,2,0,0,0,0|1,0,1]=4 6026 B19R0.18065 C#CCCCNC(=O)NCCCCCCCCCCC 273464a_200011215754_100000718082 [0,2,0,0,0,0|1,0,1]=4 6027 B19R0.18065 C#CCCCNC(=O)NCCCCCCCCCCC 512a_100000718082_200011215754 [0,2,0,0,0,0|1,0,1]=4 6028 B19R0.18065 C#CCCCNC(=O)NCCCCCCCCCCC 512a_200011215754_100000718082 [0,2,0,0,0,0|1,0,1]=4 6029 B19R0.18065 C=CCCCNC(=O)NCCCCCCCCCCC 2708a_100000700776_200011215754 [0,2,0,0,0,0|1,0,1]=4 6030 B19R0.18065 C=CCCCNC(=O)NCCCCCCCCCCC 2708a_200011215754_100000700776 [0,2,0,0,0,0|1,0,1]=4 6031 B19R0.18065 C=CCCCNC(=O)NCCCCCCCCCCC 273464a_100000700776_200011215754 [0,2,0,0,0,0|1,0,1]=4 6032 B19R0.18065 C=CCCCNC(=O)NCCCCCCCCCCC 273464a_200011215754_100000700776 [0,2,0,0,0,0|1,0,1]=4 6033 B19R0.18065 C=CCCCNC(=O)NCCCCCCCCCCC 512a_100000700776_200011215754 [0,2,0,0,0,0|1,0,1]=4 6034 B19R0.18065 C=CCCCNC(=O)NCCCCCCCCCCC 512a_200011215754_100000700776 [0,2,0,0,0,0|1,0,1]=4 6035 B19R0.18065 CCC#CCCCCCCSCC(=O)OCCOCC 62a_200000036426_200000101388 [0,2,0,0,0,0|0,0,2]=4 6036 B19R0.18065 CCC#CCCCCCCSCC(=O)OCCOCC 62a_200000101388_200000036426 [0,2,0,0,0,0|0,0,2]=4 6037 B19R0.18065 CCC/C=C/CC(=O)NCCCCCCCCCCC 11a_200011215754_200016266809 [0,2,0,0,0,0|1,0,1]=4 6038 B19R0.18065 CCC/C=C/CC(=O)NCCCCCCCCCCC 1626a_200011215754_200016266809 [0,2,0,0,0,0|1,0,1]=4 6039 B19R0.18065 CCC/C=C/CC(=O)NCCCCCCCCCCC 240690a_200011215754_200016266809 [0,2,0,0,0,0|1,0,1]=4 6040 B19R0.18065 CCC/C=C/CC(=O)NCCCCCCCCCCC 527a_200011215754_200016266809 [0,2,0,0,0,0|1,0,1]=4 6041 B19R0.18065 CCCC/C=C/CCCCOCC(=O)OCCOCC 34a_200020645093_200000101388 [0,2,0,0,0,0|0,0,2]=4 6042 B19R0.18065 CCCC/C=C/CCCCOCC(=O)OCCOCC 7a_200020645093_200000101388 [0,2,0,0,0,0|0,0,2]=4 6043 B19R0.18065 CCCCC#CCCCCCCC(=O)C=CCCCC 1458a_100016266645_200000043322 [0,2,0,0,0,0|1,0,1]=4 6044 B19R0.18065 CCCCC#CCCCCCCC(=O)CCCCCO 1458a_100102619762_200000043322 [0,2,0,0,0,0|1,0,1]=4 6045 B19R0.18065 CCCCC#CCCCCCCC(=O)COCCCC 1458a_100000757543_200000043322 [0,2,0,0,0,0|0,0,1]=3 6046 B19R0.18065 CCCCC#CCCCCCCC(=O)COCCOC 1458a_100000211095_200000043322 [0,2,0,0,0,0|1,0,1]=4 6047 B19R0.18065 CCCCC#CCCCCCCC(=O)CSCCCC 1458a_100000191162_200000043322 [0,2,0,0,0,0|0,1,1]=4 6048 B19R0.18065 CCCCC#CCCCCOCC(=O)OCCOCC 34a_200000066234_200000101388 [0,2,0,0,0,0|0,0,2]=4 6049 B19R0.18065 CCCCC#CCCCCOCC(=O)OCCOCC 7a_200000066234_200000101388 [0,2,0,0,0,0|0,0,2]=4 6050 B19R0.18065 CCCCC/C=C\CCCOCC(=O)OCCOCC 34a_100020655193_200000101388 [0,2,0,0,0,0|0,0,2]=4 6051 B19R0.18065 CCCCC/C=C\CCCOCC(=O)OCCOCC 7a_100020655193_200000101388 [0,2,0,0,0,0|0,0,2]=4 6052 B19R0.18065 CCCCC=CC(=O)NCCCCCCCCCCC 11a_200011215754_100016266645 [0,2,0,0,0,0|1,0,0]=3 6053 B19R0.18065 CCCCC=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100016266645 [0,2,0,0,0,0|1,0,0]=3 6054 B19R0.18065 CCCCC=CC(=O)NCCCCCCCCCCC 240690a_200011215754_100016266645 [0,2,0,0,0,0|1,0,0]=3 6055 B19R0.18065 CCCCC=CC(=O)NCCCCCCCCCCO 240690a_100000066964_100016266645 [0,2,0,0,0,0|2,0,0]=4 6056 B19R0.18065 CCCCCCC#CCCOCC(=O)OCCOCC 34a_200000033163_200000101388 [0,2,0,0,0,0|0,0,2]=4 6057 B19R0.18065 CCCCCCC#CCCOCC(=O)OCCOCC 7a_200000033163_200000101388 [0,2,0,0,0,0|0,0,2]=4 6058 B19R0.18065 CCCCCCCC#CCOCC(=O)OCCOCC 34a_200000061759_200000101388 [0,2,0,0,0,0|0,0,2]=4 6059 B19R0.18065 CCCCCCCC#CCOCC(=O)OCCOCC 7a_200000061759_200000101388 [0,2,0,0,0,0|0,0,2]=4 6060 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCCCC 11a_100000209983_100015291182 [0,2,0,0,0,0|1,0,1]=4 6061 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCCCC 1626a_100000209983_100015291182 [0,2,0,0,0,0|1,0,1]=4 6062 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCCCC 240690a_100000209983_100015291182 [0,2,0,0,0,0|1,0,1]=4 6063 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCCCO 240690a_100000750430_100015291182 [0,2,0,0,0,0|1,0,1]=4 6064 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCCOC 1626a_100150723488_100015291182 [0,2,0,0,0,0|1,0,1]=4 6065 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCCOC 240690a_100150723488_100015291182 [0,2,0,0,0,0|1,0,1]=4 6066 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCCSC 11a_100000749238_100015291182 [0,2,0,0,0,0|1,0,1]=4 6067 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCCSC 1626a_100000749238_100015291182 [0,2,0,0,0,0|1,0,1]=4 6068 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCCSC 240690a_100000749238_100015291182 [0,2,0,0,0,0|1,0,1]=4 6069 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCOCC 11a_100011200944_100015291182 [0,2,0,0,0,0|1,0,1]=4 6070 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCOCC 1626a_102516460346_100015291182 [0,2,0,0,0,0|1,0,1]=4 6071 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCOCC 240690a_100011200944_100015291182 [0,2,0,0,0,0|1,0,1]=4 6072 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCSCC 11a_100000106463_100015291182 [0,2,0,0,0,0|1,0,1]=4 6073 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCSCC 1626a_100000106463_100015291182 [0,2,0,0,0,0|1,0,1]=4 6074 B19R0.18065 CCCCCCCCCCC=CC(=O)NCCSCC 240690a_100000106463_100015291182 [0,2,0,0,0,0|1,0,1]=4 6075 B19R0.18065 CCCCCCCCCCC=CC(=O)NNCCCC 22a_100025702795_100015291182 [0,2,0,0,0,0|1,0,1]=4 6076 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCC 2708a_100000209983_200011215754 [0,2,0,0,0,0|1,0,0]=3 6077 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCC 2708a_200011215754_100000209983 [0,2,0,0,0,0|1,0,0]=3 6078 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCC 273464a_100000209983_200011215754 [0,2,0,0,0,0|1,0,0]=3 6079 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCC 273464a_200011215754_100000209983 [0,2,0,0,0,0|1,0,0]=3 6080 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCC 512a_100000209983_200011215754 [0,2,0,0,0,0|1,0,0]=3 6081 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCC 512a_200011215754_100000209983 [0,2,0,0,0,0|1,0,0]=3 6082 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCO 2708a_100000750430_200011215754 [0,2,0,0,0,0|1,0,0]=3 6083 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCO 2708a_200011215754_100000750430 [0,2,0,0,0,0|1,0,0]=3 6084 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCO 273464a_100000750430_200011215754 [0,2,0,0,0,0|1,0,0]=3 6085 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCO 273464a_200011215754_100000750430 [0,2,0,0,0,0|1,0,0]=3 6086 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCO 512a_100000750430_200011215754 [0,2,0,0,0,0|1,0,0]=3 6087 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCCO 512a_200011215754_100000750430 [0,2,0,0,0,0|1,0,0]=3 6088 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCOC 2708a_100150723488_200011215754 [0,2,0,0,0,0|1,0,0]=3 6089 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCOC 2708a_200011215754_100150723488 [0,2,0,0,0,0|1,0,0]=3 6090 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCOC 273464a_100150723488_200011215754 [0,2,0,0,0,0|1,0,0]=3 6091 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCOC 273464a_200011215754_100150723488 [0,2,0,0,0,0|1,0,0]=3 6092 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCOC 512a_200011215754_100150723488 [0,2,0,0,0,0|1,0,0]=3 6093 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCSC 2708a_100000749238_200011215754 [0,2,0,0,0,0|1,0,0]=3 6094 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCSC 2708a_200011215754_100000749238 [0,2,0,0,0,0|1,0,0]=3 6095 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCSC 273464a_100000749238_200011215754 [0,2,0,0,0,0|1,0,0]=3 6096 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCSC 273464a_200011215754_100000749238 [0,2,0,0,0,0|1,0,0]=3 6097 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCSC 512a_100000749238_200011215754 [0,2,0,0,0,0|1,0,0]=3 6098 B19R0.18065 CCCCCCCCCCCNC(=O)NCCCSC 512a_200011215754_100000749238 [0,2,0,0,0,0|1,0,0]=3 6099 B19R0.18065 CCCCCCCCCCCNC(=O)NCCOCC 2708a_100011200944_200011215754 [0,2,0,0,0,0|1,0,0]=3 6100 B19R0.18065 CCCCCCCCCCCNC(=O)NCCOCC 2708a_200011215754_100011200944 [0,2,0,0,0,0|1,0,0]=3 6101 B19R0.18065 CCCCCCCCCCCNC(=O)NCCOCC 273464a_102516460346_200011215754 [0,2,0,0,0,0|1,0,0]=3 6102 B19R0.18065 CCCCCCCCCCCNC(=O)NCCOCC 273464a_200011215754_102516460346 [0,2,0,0,0,0|1,0,0]=3 6103 B19R0.18065 CCCCCCCCCCCNC(=O)NCCOCC 512a_100011200944_200011215754 [0,2,0,0,0,0|1,0,0]=3 6104 B19R0.18065 CCCCCCCCCCCNC(=O)NCCOCC 512a_200011215754_100011200944 [0,2,0,0,0,0|1,0,0]=3 6105 B19R0.18065 CCCCCCCCCCCNC(=O)NCCSCC 2708a_100000106463_200011215754 [0,2,0,0,0,0|1,0,0]=3 6106 B19R0.18065 CCCCCCCCCCCNC(=O)NCCSCC 2708a_200011215754_100000106463 [0,2,0,0,0,0|1,0,0]=3 6107 B19R0.18065 CCCCCCCCCCCNC(=O)NCCSCC 273464a_100000106463_200011215754 [0,2,0,0,0,0|1,0,0]=3 6108 B19R0.18065 CCCCCCCCCCCNC(=O)NCCSCC 273464a_200011215754_100000106463 [0,2,0,0,0,0|1,0,0]=3 6109 B19R0.18065 CCCCCCCCCCCNC(=O)NCCSCC 512a_100000106463_200011215754 [0,2,0,0,0,0|1,0,0]=3 6110 B19R0.18065 CCCCCCCCCCCNC(=O)NCCSCC 512a_200011215754_100000106463 [0,2,0,0,0,0|1,0,0]=3 6111 B19R0.18065 CCCCCCCCCCCNC(=O)NNCCCC 273464a_200011215754_100025702795 [0,2,0,0,0,0|1,0,0]=3 6112 B19R0.18065 CCCCCCCCCCCNC(=O)NNCCCC 512a_100025702795_200011215754 [0,2,0,0,0,0|1,0,0]=3 6113 B19R0.18065 CCCCCCCCCCCNC(=O)NNCCCC 512a_200011215754_100025702795 [0,2,0,0,0,0|1,0,0]=3 6114 B19R0.18065 CCCCCCCCCCCNC(=O)NNCCOC 273464a_200011215754_100000741390 [0,2,0,0,0,0|2,0,0]=4 6115 B19R0.18065 CCCCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000209983 [0,2,0,0,0,0|2,0,0]=4 6116 B19R0.18065 CCCCCNC(=O)NCCCCCCCCCCO 2708a_100000209983_100000066964 [0,2,0,0,0,0|2,0,0]=4 6117 B19R0.18065 CCCCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000209983 [0,2,0,0,0,0|2,0,0]=4 6118 B19R0.18065 CCCCCNC(=O)NCCCCCCCCCCO 273464a_100000209983_100000066964 [0,2,0,0,0,0|2,0,0]=4 6119 B19R0.18065 CCCCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000209983 [0,2,0,0,0,0|2,0,0]=4 6120 B19R0.18065 CCCCCNC(=O)NCCCCCCCCCCO 512a_100000209983_100000066964 [0,2,0,0,0,0|2,0,0]=4 6121 B19R0.18065 CCCCNNC(=O)NCCCCCCCCCCO 273464a_100000066964_100025702795 [0,2,0,0,0,0|2,0,0]=4 6122 B19R0.18065 CCCCNNC(=O)NCCCCCCCCCCO 512a_100000066964_100025702795 [0,2,0,0,0,0|2,0,0]=4 6123 B19R0.18065 CCCCNNC(=O)NCCCCCCCCCCO 512a_100025702795_100000066964 [0,2,0,0,0,0|2,0,0]=4 6124 B19R0.18065 CCOCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100011200944 [0,2,0,0,0,0|2,0,0]=4 6125 B19R0.18065 CCOCCNC(=O)NCCCCCCCCCCO 2708a_100011200944_100000066964 [0,2,0,0,0,0|2,0,0]=4 6126 B19R0.18065 CCOCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_102516460346 [0,2,0,0,0,0|2,0,0]=4 6127 B19R0.18065 CCOCCNC(=O)NCCCCCCCCCCO 273464a_102516460346_100000066964 [0,2,0,0,0,0|2,0,0]=4 6128 B19R0.18065 CCOCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100011200944 [0,2,0,0,0,0|2,0,0]=4 6129 B19R0.18065 CCOCCNC(=O)NCCCCCCCCCCO 512a_100011200944_100000066964 [0,2,0,0,0,0|2,0,0]=4 6130 B19R0.18065 CCSCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000106463 [0,2,0,0,0,0|2,0,0]=4 6131 B19R0.18065 CCSCCNC(=O)NCCCCCCCCCCO 2708a_100000106463_100000066964 [0,2,0,0,0,0|2,0,0]=4 6132 B19R0.18065 CCSCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000106463 [0,2,0,0,0,0|2,0,0]=4 6133 B19R0.18065 CCSCCNC(=O)NCCCCCCCCCCO 273464a_100000106463_100000066964 [0,2,0,0,0,0|2,0,0]=4 6134 B19R0.18065 CCSCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000106463 [0,2,0,0,0,0|2,0,0]=4 6135 B19R0.18065 CCSCCNC(=O)NCCCCCCCCCCO 512a_100000106463_100000066964 [0,2,0,0,0,0|2,0,0]=4 6136 B19R0.18065 COCCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100150723488 [0,2,0,0,0,0|2,0,0]=4 6137 B19R0.18065 COCCCNC(=O)NCCCCCCCCCCO 2708a_100150723488_100000066964 [0,2,0,0,0,0|2,0,0]=4 6138 B19R0.18065 COCCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100150723488 [0,2,0,0,0,0|2,0,0]=4 6139 B19R0.18065 COCCCNC(=O)NCCCCCCCCCCO 273464a_100150723488_100000066964 [0,2,0,0,0,0|2,0,0]=4 6140 B19R0.18065 COCCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100150723488 [0,2,0,0,0,0|2,0,0]=4 6141 B19R0.18065 CSCCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000749238 [0,2,0,0,0,0|2,0,0]=4 6142 B19R0.18065 CSCCCNC(=O)NCCCCCCCCCCO 2708a_100000749238_100000066964 [0,2,0,0,0,0|2,0,0]=4 6143 B19R0.18065 CSCCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000749238 [0,2,0,0,0,0|2,0,0]=4 6144 B19R0.18065 CSCCCNC(=O)NCCCCCCCCCCO 273464a_100000749238_100000066964 [0,2,0,0,0,0|2,0,0]=4 6145 B19R0.18065 CSCCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000749238 [0,2,0,0,0,0|2,0,0]=4 6146 B19R0.18065 CSCCCNC(=O)NCCCCCCCCCCO 512a_100000749238_100000066964 [0,2,0,0,0,0|2,0,0]=4 6147 B19R0.18065 O=C(NCCCCO)NCCCCCCCCCCO 2708a_100000066964_100000750430 [0,2,0,0,0,0|2,0,0]=4 6148 B19R0.18065 O=C(NCCCCO)NCCCCCCCCCCO 2708a_100000750430_100000066964 [0,2,0,0,0,0|2,0,0]=4 6149 B19R0.18065 O=C(NCCCCO)NCCCCCCCCCCO 273464a_100000066964_100000750430 [0,2,0,0,0,0|2,0,0]=4 6150 B19R0.18065 O=C(NCCCCO)NCCCCCCCCCCO 273464a_100000750430_100000066964 [0,2,0,0,0,0|2,0,0]=4 6151 B19R0.18065 O=C(NCCCCO)NCCCCCCCCCCO 512a_100000066964_100000750430 [0,2,0,0,0,0|2,0,0]=4 6152 B19R0.18065 O=C(NCCCCO)NCCCCCCCCCCO 512a_100000750430_100000066964 [0,2,0,0,0,0|2,0,0]=4 6153 B19R0.22587 C#CCCCCCCCCOC(C)C(=O)OCCCC 34a_100000065265_100000759602 [0,2,0,0,0,0|0,0,2]=4 6154 B19R0.22587 C#CCCCCCCCCOC(C)C(=O)OCCCC 7a_100000065265_100000759602 [0,2,0,0,0,0|0,0,2]=4 6155 B19R0.22587 C=CCCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100011933949 [0,2,0,0,0,0|0,0,2]=4 6156 B19R0.22587 C=CCCCCCCCCOC(C)C(=O)OCCCC 34a_100011215194_100000759602 [0,2,0,0,0,0|0,0,2]=4 6157 B19R0.22587 C=CCCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100011933949 [0,2,0,0,0,0|0,0,2]=4 6158 B19R0.22587 C=CCCCCCCCCOC(C)C(=O)OCCCC 7a_100011215194_100000759602 [0,2,0,0,0,0|0,0,2]=4 6159 B19R0.22587 C=CCCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100011933949 [0,2,0,0,0,0|0,0,2]=4 6160 B19R0.22587 C=CCCCCCCCCSC(C)C(=O)OCCCC 62a_100011933949_100000759602 [0,2,0,0,0,0|0,0,2]=4 6161 B19R0.22587 CCC#CCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_200000036426 [0,2,0,0,0,0|0,0,2]=4 6162 B19R0.22587 CCC#CCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_200000036426 [0,2,0,0,0,0|0,0,2]=4 6163 B19R0.22587 CCC#CCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_200000036426 [0,2,0,0,0,0|0,0,2]=4 6164 B19R0.22587 CCC#CCCCCCCSC(C)C(=O)OCCCC 62a_200000036426_100000759602 [0,2,0,0,0,0|0,0,2]=4 6165 B19R0.22587 CCCC/C=C/CCCCOC(C)C(=O)OCCCC 34a_200020645093_100000759602 [0,2,0,0,0,0|0,0,2]=4 6166 B19R0.22587 CCCC/C=C/CCCCOC(C)C(=O)OCCCC 7a_200020645093_100000759602 [0,2,0,0,0,0|0,0,2]=4 6167 B19R0.22587 CCCCC#CCCCCOC(C)C(=O)OCCCC 34a_200000066234_100000759602 [0,2,0,0,0,0|0,0,2]=4 6168 B19R0.22587 CCCCC#CCCCCOC(C)C(=O)OCCCC 7a_200000066234_100000759602 [0,2,0,0,0,0|0,0,2]=4 6169 B19R0.22587 CCCCC/C=C\CCCOC(C)C(=O)OCCCC 34a_100020655193_100000759602 [0,2,0,0,0,0|0,0,2]=4 6170 B19R0.22587 CCCCC/C=C\CCCOC(C)C(=O)OCCCC 7a_100020655193_100000759602 [0,2,0,0,0,0|0,0,2]=4 6171 B19R0.22587 CCCCCCC#CCCOC(C)C(=O)OCCCC 34a_200000033163_100000759602 [0,2,0,0,0,0|0,0,2]=4 6172 B19R0.22587 CCCCCCC#CCCOC(C)C(=O)OCCCC 7a_200000033163_100000759602 [0,2,0,0,0,0|0,0,2]=4 6173 B19R0.22587 CCCCCCCC#CCOC(C)C(=O)OCCCC 34a_200000061759_100000759602 [0,2,0,0,0,0|0,0,2]=4 6174 B19R0.22587 CCCCCCCC#CCOC(C)C(=O)OCCCC 7a_200000061759_100000759602 [0,2,0,0,0,0|0,0,2]=4 6175 B19R0.22587 CCCCCCCCCCCC(=O)N(C)CCCCC 11a_100000223495_100000210736 [0,2,0,0,0,0|1,0,0]=3 6176 B19R0.22587 CCCCCCCCCCCC(=O)N(C)CCCCC 1626a_100000223495_100000210736 [0,2,0,0,0,0|1,0,0]=3 6177 B19R0.22587 CCCCCCCCCCCC(=O)N(C)CCCCC 240690a_100000223495_100000210736 [0,2,0,0,0,0|1,0,0]=3 6178 B19R0.22587 CCCCCCCCCCCC(=O)N(C)CCCCO 240690a_100000717598_100000210736 [0,2,0,0,0,0|1,0,0]=3 6179 B19R0.22587 CCCCCCCCCCCC(=O)N(C)CCCOC 11a_100000224831_100000210736 [0,2,0,0,0,0|1,0,0]=3 6180 B19R0.22587 CCCCCCCCCCCC(=O)N(C)CCCOC 1626a_100000224831_100000210736 [0,2,0,0,0,0|1,0,0]=3 6181 B19R0.22587 CCCCCCCCCCCC(=O)N(C)CCCOC 240690a_100000224831_100000210736 [0,2,0,0,0,0|1,0,0]=3 6182 B19R0.22587 CCCCCCCCCCNC(=O)C(C)CCCCC 11a_100000684558_100011215998 [0,2,0,0,0,0|2,0,0]=4 6183 B19R0.22587 CCCCCCCCCCNC(=O)C(C)CCCCC 1626a_100000684558_100011215998 [0,2,0,0,0,0|2,0,0]=4 6184 B19R0.22587 CCCCCCCCCCNC(=O)C(C)CCCCC 240690a_100000684558_100011215998 [0,2,0,0,0,0|2,0,0]=4 6185 B19R0.22587 CCCCCCCCCCNC(=O)C(C)CCCCC 527a_100000684558_100011215998 [0,2,0,0,0,0|2,0,0]=4 6186 B19R0.22587 CCCCCCCCCCNC(=O)C(C)SCCCC 11a_100000684558_100000191163 [0,2,0,0,0,0|1,1,0]=4 6187 B19R0.22587 CCCCCCCCCCNC(=O)C(C)SCCCC 1626a_100000684558_100000191163 [0,2,0,0,0,0|1,1,0]=4 6188 B19R0.22587 CCCCCCCCCCNC(=O)C(C)SCCCC 240690a_100000684558_100000191163 [0,2,0,0,0,0|1,1,0]=4 6189 B19R0.22587 CCCCCCCCCCNC(=O)C(C)SCCCC 527a_100000684558_100000191163 [0,2,0,0,0,0|1,1,0]=4 6190 B19R0.22587 CCCCCCCCCCNC(=O)N(C)CCCCC 2708a_100000684558_100000223495 [0,2,0,0,0,0|2,0,0]=4 6191 B19R0.22587 CCCCCCCCCCNC(=O)N(C)CCCCC 273464a_100000684558_100000223495 [0,2,0,0,0,0|2,0,0]=4 6192 B19R0.22587 CCCCCCCCCCNC(=O)N(C)CCCCO 2708a_100000684558_100000717598 [0,2,0,0,0,0|2,0,0]=4 6193 B19R0.22587 CCCCCCCCCCNC(=O)N(C)CCCCO 273464a_100000684558_100000717598 [0,2,0,0,0,0|2,0,0]=4 6194 B19R0.22587 CCCCCCCCCCNC(=O)N(C)CCCOC 2708a_100000684558_100000224831 [0,2,0,0,0,0|2,0,0]=4 6195 B19R0.22587 CCCCCCCCCCNC(=O)N(C)CCCOC 273464a_100000684558_100000224831 [0,2,0,0,0,0|2,0,0]=4 6196 B19R0.22587 CCCCCCCCCCNC(C)C(=O)NCCCC 2230a_100000684558_100000735917 [0,2,0,0,0,0|1,0,0]=3 6197 B19R0.22587 CCCCCCCCCCNC(C)C(=O)NCCCC 34a_100000684558_100000735917 [0,2,0,0,0,0|1,0,0]=3 6198 B19R0.22587 CCCCCCCCCCNC(C)C(=O)NCCOC 2230a_100000684558_100000230274 [0,2,0,0,0,0|2,0,0]=4 6199 B19R0.22587 CCCCCCCCCCNC(C)C(=O)OCCCC 2230a_100000684558_100000759602 [0,2,0,0,0,0|0,0,0]=2 6200 B19R0.22587 CCCCCCCCCCNC(C)C(=O)OCCCC 34a_100000684558_100000759602 [0,2,0,0,0,0|0,0,0]=2 6201 B19R0.22587 CCCCCCCCCCOC(C)C(=O)NCCCC 34a_100000210711_100000735917 [0,2,0,0,0,0|1,0,0]=3 6202 B19R0.22587 CCCCCCCCCCOC(C)C(=O)NCCCC 7a_100000210711_100000735917 [0,2,0,0,0,0|1,0,0]=3 6203 B19R0.22587 CCCCCCCCCCOC(C)C(=O)NCCOC 7a_100000210711_100000230274 [0,2,0,0,0,0|2,0,0]=4 6204 B19R0.22587 CCCCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100000210320 [0,2,0,0,0,0|0,0,0]=2 6205 B19R0.22587 CCCCCCCCCCOC(C)C(=O)OCCCC 34a_100000210711_100000759602 [0,2,0,0,0,0|0,0,0]=2 6206 B19R0.22587 CCCCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210320 [0,2,0,0,0,0|0,0,0]=2 6207 B19R0.22587 CCCCCCCCCCOC(C)C(=O)OCCCC 7a_100000210711_100000759602 [0,2,0,0,0,0|0,0,0]=2 6208 B19R0.22587 CCCCCCCCCCSC(C)C(=O)NCCCC 62a_100000735917_100000210320 [0,2,0,0,0,0|1,0,0]=3 6209 B19R0.22587 CCCCCCCCCCSC(C)C(=O)NCCOC 62a_100000230274_100000210320 [0,2,0,0,0,0|2,0,0]=4 6210 B19R0.22587 CCCCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100000210320 [0,2,0,0,0,0|0,0,0]=2 6211 B19R0.22587 CCCCCN(C)C(=O)CCCCCCCCCCO 240690a_100000223495_200000016029 [0,2,0,0,0,0|2,0,0]=4 6212 B19R0.22587 CCCCNC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100000735917 [0,2,0,0,0,0|2,0,0]=4 6213 B19R0.22587 CCCCNC(=O)C(C)NCCCCCCCCCO 34a_100000078944_100000735917 [0,2,0,0,0,0|2,0,0]=4 6214 B19R0.22587 CCCCNC(=O)C(C)OCCCCCCCCCBr 34a_100009813782_100000735917 [0,2,0,0,0,0|2,0,0]=4 6215 B19R0.22587 CCCCNC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000735917 [0,2,0,0,0,0|2,0,0]=4 6216 B19R0.22587 CCCCNC(=O)C(C)OCCCCCCCCCCl 34a_100009868337_100000735917 [0,2,0,0,0,0|2,0,0]=4 6217 B19R0.22587 CCCCNC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000735917 [0,2,0,0,0,0|2,0,0]=4 6218 B19R0.22587 CCCCNC(=O)C(C)OCCCCCCCCCN 34a_100000078944_100000735917 [0,2,0,0,0,0|2,0,0]=4 6219 B19R0.22587 CCCCNC(=O)C(C)SCCCCCCCCCO 62a_100000735917_100009813782 [0,2,0,0,0,0|2,0,0]=4 6220 B19R0.22587 CCCCNC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100000735917 [0,2,0,0,0,0|2,0,0]=4 6221 B19R0.22587 CCCCOC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100000759602 [0,2,0,0,0,0|1,0,0]=3 6222 B19R0.22587 CCCCOC(=O)C(C)NCCCCCCCCCO 34a_100000078944_100000759602 [0,2,0,0,0,0|1,0,0]=3 6223 B19R0.22587 CCCCOC(=O)C(C)OCCCCCCCCCBr 34a_100009813782_100000759602 [0,2,0,0,0,0|1,0,0]=3 6224 B19R0.22587 CCCCOC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000759602 [0,2,0,0,0,0|1,0,0]=3 6225 B19R0.22587 CCCCOC(=O)C(C)OCCCCCCCCCCl 34a_100009868337_100000759602 [0,2,0,0,0,0|1,0,0]=3 6226 B19R0.22587 CCCCOC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000759602 [0,2,0,0,0,0|1,0,0]=3 6227 B19R0.22587 CCCCOC(=O)C(C)OCCCCCCCCCN 34a_100000078944_100000759602 [0,2,0,0,0,0|1,0,0]=3 6228 B19R0.22587 CCCCOC(=O)C(C)OCCCCCCCCCO 34a_100000038973_100009813782 [0,2,0,0,0,0|1,0,0]=3 6229 B19R0.22587 CCCCOC(=O)C(C)OCCCCCCCCCO 7a_100000038973_100009813782 [0,2,0,0,0,0|1,0,0]=3 6230 B19R0.22587 CCCCOC(=O)C(C)SCCCCCCCCCO 62a_100000759602_100009813782 [0,2,0,0,0,0|1,0,0]=3 6231 B19R0.22587 CCCCOC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100000759602 [0,2,0,0,0,0|1,0,0]=3 6232 B19R0.22587 CCCCOCCOCCOC(C)C(=O)OCCCC 34a_100011215186_100000759602 [0,2,0,0,0,0|2,0,0]=4 6233 B19R0.22587 CCCCOCCOCCOC(C)C(=O)OCCCC 7a_100011215186_100000759602 [0,2,0,0,0,0|2,0,0]=4 6234 B19R0.22587 CN(CCCCO)C(=O)CCCCCCCCCCO 240690a_100000717598_200000016029 [0,2,0,0,0,0|2,0,0]=4 6235 B19R0.22587 COCCCN(C)C(=O)CCCCCCCCCCO 240690a_100000224831_200000016029 [0,2,0,0,0,0|2,0,0]=4 6236 B19R0.23158 CCCCCCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000210759 [0,2,0,0,0,0|0,0,1]=3 6237 B19R0.23158 CCCCCCCCC(C)OCC(=O)NCCCCC 34a_100000210740_100000230301 [0,2,0,0,0,0|2,0,0]=4 6238 B19R0.23158 CCCCCCCCC(C)OCC(=O)NCCCCC 7a_100000210740_100000230301 [0,2,0,0,0,0|2,0,0]=4 6239 B19R0.23158 CCCCCCCCC(C)OCC(=O)NCCCOC 34a_100000210740_100000183178 [0,2,0,0,0,0|2,0,0]=4 6240 B19R0.23158 CCCCCCCCC(C)OCC(=O)NCCCOC 7a_100000210740_100000183178 [0,2,0,0,0,0|2,0,0]=4 6241 B19R0.23158 CCCCCCCCC(C)OCC(=O)OCCOCC 34a_100000210740_200000101388 [0,2,0,0,0,0|1,0,0]=3 6242 B19R0.23158 CCCCCCCCC(C)OCC(=O)OCCOCC 7a_100000210740_200000101388 [0,2,0,0,0,0|1,0,0]=3 6243 B19R0.23158 CCCCCCCNC(=O)CCC(=O)OCCCCO 1626a_100000229938_200009914559 [0,2,0,0,0,0|1,0,1]=4 6244 B19R0.23158 CCCCCCCNC(=O)CCC(=O)OCCCCO 240690a_100000229938_200009914559 [0,2,0,0,0,0|1,0,1]=4 6245 B19R0.23158 COCCCCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100011998445 [0,2,0,0,0,0|1,0,1]=4 6246 B19R0.23158 O=C(CCCCCCCO)CCC(=O)OCCCCO 1458a_200009914559_100000760002 [0,2,0,0,0,0|1,0,1]=4 6247 B19R0.25785 C#CCCCNC(=O)CC(O)CCCCCCCCC 1626a_100000718082_200012339438 [0,2,0,0,0,0|1,0,1]=4 6248 B19R0.25785 C#CCCCNC(=O)CC(O)CCCCCCCCC 240690a_100000718082_200012339438 [0,2,0,0,0,0|1,0,1]=4 6249 B19R0.25785 C=CCCCNC(=O)CC(O)CCCCCCCCC 1626a_100000700776_200012339438 [0,2,0,0,0,0|1,0,1]=4 6250 B19R0.25785 C=CCCCNC(=O)CC(O)CCCCCCCCC 240690a_100000700776_200012339438 [0,2,0,0,0,0|1,0,1]=4 6251 B19R0.25785 CCCCCCCCCC(=O)CC(=O)NCCCCC 1458a_100000210558_100000230301 [0,2,0,0,0,0|1,0,1]=4 6252 B19R0.25785 CCCCCCCCCC(=O)CC(=O)NCCCOC 1458a_100000210558_100000183178 [0,2,0,0,0,0|1,0,1]=4 6253 B19R0.25785 CCCCCCCCCC(=O)CC(=O)OCCOCC 1458a_100000210558_200000101388 [0,2,0,0,0,0|0,0,1]=3 6254 B19R0.25785 CCCCCCCCCC(O)CC(=O)NCCCCC 1626a_100000209983_200012339438 [0,2,0,0,0,0|1,0,0]=3 6255 B19R0.25785 CCCCCCCCCC(O)CC(=O)NCCCCC 240690a_100000209983_200012339438 [0,2,0,0,0,0|1,0,0]=3 6256 B19R0.25785 CCCCCCCCCC(O)CC(=O)NCCCCO 240690a_100000750430_200012339438 [0,2,0,0,0,0|1,0,0]=3 6257 B19R0.25785 CCCCCCCCCC(O)CC(=O)NCCCOC 1626a_100150723488_200012339438 [0,2,0,0,0,0|1,0,0]=3 6258 B19R0.25785 CCCCCCCCCC(O)CC(=O)NCCCOC 240690a_100150723488_200012339438 [0,2,0,0,0,0|1,0,0]=3 6259 B19R0.25785 CCCCCCCCCC(O)CC(=O)NCCCSC 1626a_100000749238_200012339438 [0,2,0,0,0,0|1,0,0]=3 6260 B19R0.25785 CCCCCCCCCC(O)CC(=O)NCCCSC 240690a_100000749238_200012339438 [0,2,0,0,0,0|1,0,0]=3 6261 B19R0.25785 CCCCCCCCCC(O)CC(=O)NCCOCC 1626a_102516460346_200012339438 [0,2,0,0,0,0|1,0,0]=3 6262 B19R0.25785 CCCCCCCCCC(O)CC(=O)NCCOCC 240690a_100011200944_200012339438 [0,2,0,0,0,0|1,0,0]=3 6263 B19R0.25785 CCCCCCCCCC(O)CC(=O)NCCSCC 1626a_100000106463_200012339438 [0,2,0,0,0,0|1,0,0]=3 6264 B19R0.25785 CCCCCCCCCC(O)CC(=O)NCCSCC 240690a_100000106463_200012339438 [0,2,0,0,0,0|1,0,0]=3 6265 B19R0.25785 CCCCCCCCCC(O)CC(=O)NNCCCC 22a_100025702795_200012339438 [0,2,0,0,0,0|1,0,0]=3 6266 B19R0.25785 CCCCCCCCCC(O)CC(=O)NNCCOC 22a_100000741390_200012339438 [0,2,0,0,0,0|2,0,0]=4 6267 B19R0.25785 CCCCCCCCCN(C)CC(=O)NCCCCC 2230a_100000232482_100000230301 [0,2,0,0,0,0|2,0,0]=4 6268 B19R0.25785 CCCCCCCCCN(C)CC(=O)NCCCCC 269982a_100000232482_100000230301 [0,2,0,0,0,0|2,0,0]=4 6269 B19R0.25785 CCCCCCCCCN(C)CC(=O)NCCCOC 2230a_100000168148_100011214924 [0,2,0,0,0,0|2,0,0]=4 6270 B19R0.25785 CCCCCCCCCN(C)CC(=O)NCCCOC 2230a_100000232482_100000183178 [0,2,0,0,0,0|2,0,0]=4 6271 B19R0.25785 CCCCCCCCCN(C)CC(=O)NCCCOC 269982a_100000168148_100000210670 [0,2,0,0,0,0|2,0,0]=4 6272 B19R0.25785 CCCCCCCCCN(C)CC(=O)NCCCOC 269982a_100000232482_100000183178 [0,2,0,0,0,0|2,0,0]=4 6273 B19R0.25785 CCCCCCCCCN(C)CC(=O)OCCOCC 2230a_100000232482_200000101388 [0,2,0,0,0,0|1,0,0]=3 6274 B19R0.25785 CCCCCCCCCN(C)CC(=O)OCCOCC 269982a_100000232482_200000101388 [0,2,0,0,0,0|1,0,0]=3 6275 B19R0.154 CCC(C)CN(C)C(=O)CCCCCCCCCCO 240690a_100000753921_200000016029 [0,2,0,0,0,0|2,0,0]=4 6276 B19R0.154 CCCCCCCCCCCC(=O)C(=O)NC(C)CC 1458a_200011297154_100011215454 [0,2,0,0,0,0|2,0,0]=4 6277 B19R0.154 CCCCCCCCCCCC(=O)C(C)CN(C)CC 1458a_200015185930_100011215454 [0,2,0,0,0,0|2,0,0]=4 6278 B19R0.154 CCCCCCCCCCCC(=O)N(C)CC(=O)CC 1458a_100032006452_100000210202 [0,2,0,0,0,0|1,0,1]=4 6279 B19R0.154 CCCCCCCCCCCC(=O)N(C)CC(C)CC 11a_100000753921_100000210736 [0,2,0,0,0,0|1,0,0]=3 6280 B19R0.154 CCCCCCCCCCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000210736 [0,2,0,0,0,0|1,0,0]=3 6281 B19R0.154 CCCCCCCCCCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000210736 [0,2,0,0,0,0|1,0,0]=3 6282 B19R0.154 CCCCCCCCCCCC(=O)N(C)CC(O)CO 240690a_100011216503_100000210736 [0,2,0,0,0,0|2,0,0]=4 6283 B19R0.154 CCCCCCCCCCNC(=O)N(C)CC(C)CC 2708a_100000684558_100000753921 [0,2,0,0,0,0|2,0,0]=4 6284 B19R0.154 CCCCCCCCCCNC(=O)N(C)CC(C)CC 273464a_100000684558_100000753921 [0,2,0,0,0,0|2,0,0]=4 6285 B19R0.13891 CCCCCCCCCCN(C)C(=O)CCC(C)CC 11a_100000207566_100000701222 [0,2,0,0,0,0|2,0,0]=4 6286 B19R0.13891 CCCCCCCCCCN(C)C(=O)CCC(C)CC 1626a_100000207566_100000701222 [0,2,0,0,0,0|2,0,0]=4 6287 B19R0.13891 CCCCCCCCCCN(C)C(=O)CCC(C)CC 240690a_100000207566_100000701222 [0,2,0,0,0,0|2,0,0]=4 6288 B19R0.13891 CCCCCCCCCCN(C)C(=O)CCC(C)CC 527a_100000207566_100000701222 [0,2,0,0,0,0|2,0,0]=4 6289 B19R0.13891 CCCCCCCCCCN(C)C(=O)CCC(O)CC 1626a_100000207566_203496584001 [0,2,0,0,0,0|2,0,0]=4 6290 B19R0.13891 CCCCCCCCCCN(C)C(=O)CCC(O)CC 240690a_100000207566_203496584001 [0,2,0,0,0,0|2,0,0]=4 6291 B19R0.13891 CCCCCCCCCCN(C)C(=O)NCC(C)CC 2708a_100020588543_100000207566 [0,2,0,0,0,0|2,0,0]=4 6292 B19R0.13891 CCCCCCCCCCN(C)C(=O)NCC(C)CC 273464a_100020588543_100000207566 [0,2,0,0,0,0|2,0,0]=4 6293 B19R0.13891 CCCCCCCCCCN(C)C(=O)NCC(O)CC 273464a_100011218483_100000207566 [0,2,0,0,0,0|2,0,0]=4 6294 B19R0.18068 CC(CO)CNC(=O)CCCCCCCCCCCO 240690a_100000744482_100000037981 [0,2,0,0,0,0|2,0,0]=4 6295 B19R0.18068 CCC(C)CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000701222 [0,2,0,0,0,0|2,0,0]=4 6296 B19R0.18068 CCC(C)CNC(=O)CCCCCCCCCCCO 240690a_100020588543_100000037981 [0,2,0,0,0,0|1,0,0]=3 6297 B19R0.18068 CCC(C)CNC(=O)NCCCCCCCCCCO 2708a_100000066964_100020588543 [0,2,0,0,0,0|2,0,0]=4 6298 B19R0.18068 CCC(C)CNC(=O)NCCCCCCCCCCO 2708a_100020588543_100000066964 [0,2,0,0,0,0|2,0,0]=4 6299 B19R0.18068 CCC(C)CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100020588543 [0,2,0,0,0,0|2,0,0]=4 6300 B19R0.18068 CCC(C)CNC(=O)NCCCCCCCCCCO 273464a_100020588543_100000066964 [0,2,0,0,0,0|2,0,0]=4 6301 B19R0.18068 CCC(C)CNC(=O)NCCCCCCCCCCO 512a_100000066964_100020588543 [0,2,0,0,0,0|2,0,0]=4 6302 B19R0.18068 CCC(C)CNC(=O)NCCCCCCCCCCO 512a_100020588543_100000066964 [0,2,0,0,0,0|2,0,0]=4 6303 B19R0.18068 CCC(C)NNC(=O)CCCCCCCCCCCO 22a_100000718999_100000037981 [0,2,0,0,0,0|2,0,0]=4 6304 B19R0.18068 CCC(O)CCC(=O)NCCCCCCCCCCO 240690a_100000066964_203496584001 [0,2,0,0,0,0|2,0,0]=4 6305 B19R0.18068 CCC(O)CNC(=O)CCCCCCCCCCCO 240690a_100011218483_100000037981 [0,2,0,0,0,0|1,0,0]=3 6306 B19R0.18068 CCC(O)CNC(=O)NCCCCCCCCCCO 2708a_100000066964_100011218483 [0,2,0,0,0,0|2,0,0]=4 6307 B19R0.18068 CCC(O)CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100011218483 [0,2,0,0,0,0|2,0,0]=4 6308 B19R0.18068 CCC(O)CNC(=O)NCCCCCCCCCCO 273464a_100011218483_100000066964 [0,2,0,0,0,0|2,0,0]=4 6309 B19R0.18068 CCC(O)CNC(=O)NCCCCCCCCCCO 512a_100011218483_100000066964 [0,2,0,0,0,0|2,0,0]=4 6310 B19R0.18068 CCCCC#CCCCCCCC(=O)CCC(C)CC 1458a_100000701222_200000043322 [0,2,0,0,0,0|1,0,1]=4 6311 B19R0.18068 CCCCCCCCCCC=CC(=O)NCC(C)CC 11a_100020588543_100015291182 [0,2,0,0,0,0|1,0,1]=4 6312 B19R0.18068 CCCCCCCCCCC=CC(=O)NCC(C)CC 1626a_100020588543_100015291182 [0,2,0,0,0,0|1,0,1]=4 6313 B19R0.18068 CCCCCCCCCCC=CC(=O)NCC(C)CC 240690a_100020588543_100015291182 [0,2,0,0,0,0|1,0,1]=4 6314 B19R0.18068 CCCCCCCCCCC=CC(=O)NCC(O)CC 11a_100011218483_100015291182 [0,2,0,0,0,0|1,0,1]=4 6315 B19R0.18068 CCCCCCCCCCC=CC(=O)NCC(O)CC 240690a_100011218483_100015291182 [0,2,0,0,0,0|1,0,1]=4 6316 B19R0.18068 CCCCCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100011215791 [0,2,0,0,0,0|1,0,0]=3 6317 B19R0.18068 CCCCCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100011215791 [0,2,0,0,0,0|1,0,0]=3 6318 B19R0.18068 CCCCCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100011215791 [0,2,0,0,0,0|1,0,0]=3 6319 B19R0.18068 CCCCCCCCCCCCC(=O)NCC(C)CO 240690a_100000744482_100011215791 [0,2,0,0,0,0|2,0,0]=4 6320 B19R0.18068 CCCCCCCCCCCCC(=O)NCC(O)CC 11a_100011218483_100011215791 [0,2,0,0,0,0|1,0,0]=3 6321 B19R0.18068 CCCCCCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100011215791 [0,2,0,0,0,0|1,0,0]=3 6322 B19R0.18068 CCCCCCCCCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100011215791 [0,2,0,0,0,0|2,0,0]=4 6323 B19R0.18068 CCCCCCCCCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100011215791 [0,2,0,0,0,0|2,0,0]=4 6324 B19R0.18068 CCCCCCCCCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100011215791 [0,2,0,0,0,0|2,0,0]=4 6325 B19R0.18068 CCCCCCCCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100011215791 [0,2,0,0,0,0|2,0,0]=4 6326 B19R0.18068 CCCCCCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100011215791 [0,2,0,0,0,0|2,0,0]=4 6327 B19R0.18068 CCCCCCCCCCCCC(=O)NNC(C)CC 22a_100000718999_100011215791 [0,2,0,0,0,0|2,0,0]=4 6328 B19R0.18068 CCCCCCCCCCCNC(=O)CCC(C)CC 11a_200011215754_100000701222 [0,2,0,0,0,0|1,0,0]=3 6329 B19R0.18068 CCCCCCCCCCCNC(=O)CCC(C)CC 1626a_200011215754_100000701222 [0,2,0,0,0,0|1,0,0]=3 6330 B19R0.18068 CCCCCCCCCCCNC(=O)CCC(C)CC 240690a_200011215754_100000701222 [0,2,0,0,0,0|1,0,0]=3 6331 B19R0.18068 CCCCCCCCCCCNC(=O)CCC(C)CC 527a_200011215754_100000701222 [0,2,0,0,0,0|1,0,0]=3 6332 B19R0.18068 CCCCCCCCCCCNC(=O)CCC(O)CC 1626a_200011215754_203496584001 [0,2,0,0,0,0|1,0,0]=3 6333 B19R0.18068 CCCCCCCCCCCNC(=O)CCC(O)CC 240690a_200011215754_203496584001 [0,2,0,0,0,0|1,0,0]=3 6334 B19R0.18068 CCCCCCCCCCCNC(=O)CCN(C)CC 240690a_200011215754_100000755305 [0,2,0,0,0,0|2,0,0]=4 6335 B19R0.18068 CCCCCCCCCCCNC(=O)CCS(=O)CC 11a_200011215754_100011387550 [0,2,0,0,0,0|2,0,0]=4 6336 B19R0.18068 CCCCCCCCCCCNC(=O)CCS(=O)CC 1626a_200011215754_100011387550 [0,2,0,0,0,0|2,0,0]=4 6337 B19R0.18068 CCCCCCCCCCCNC(=O)CCS(=O)CC 240690a_200011215754_100011387550 [0,2,0,0,0,0|2,0,0]=4 6338 B19R0.18068 CCCCCCCCCCCNC(=O)CCS(=O)CC 527a_200011215754_100011387550 [0,2,0,0,0,0|2,0,0]=4 6339 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(C)CC 2708a_100020588543_200011215754 [0,2,0,0,0,0|1,0,0]=3 6340 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(C)CC 2708a_200011215754_100020588543 [0,2,0,0,0,0|1,0,0]=3 6341 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(C)CC 273464a_100020588543_200011215754 [0,2,0,0,0,0|1,0,0]=3 6342 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(C)CC 273464a_200011215754_100020588543 [0,2,0,0,0,0|1,0,0]=3 6343 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(C)CC 512a_100020588543_200011215754 [0,2,0,0,0,0|1,0,0]=3 6344 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(C)CC 512a_200011215754_100020588543 [0,2,0,0,0,0|1,0,0]=3 6345 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(C)CO 2708a_200011215754_100000744482 [0,2,0,0,0,0|2,0,0]=4 6346 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(C)CO 273464a_100000744482_200011215754 [0,2,0,0,0,0|2,0,0]=4 6347 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(C)CO 273464a_200011215754_100000744482 [0,2,0,0,0,0|2,0,0]=4 6348 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(C)CO 512a_100000744482_200011215754 [0,2,0,0,0,0|2,0,0]=4 6349 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(C)CO 512a_200011215754_100000744482 [0,2,0,0,0,0|2,0,0]=4 6350 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(O)CC 2708a_200011215754_100011218483 [0,2,0,0,0,0|1,0,0]=3 6351 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(O)CC 273464a_100011218483_200011215754 [0,2,0,0,0,0|1,0,0]=3 6352 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(O)CC 273464a_200011215754_100011218483 [0,2,0,0,0,0|1,0,0]=3 6353 B19R0.18068 CCCCCCCCCCCNC(=O)NCC(O)CC 512a_100011218483_200011215754 [0,2,0,0,0,0|1,0,0]=3 6354 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@@H](C)OC 2708a_100020591295_200011215754 [0,2,0,0,0,0|2,0,0]=4 6355 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@@H](C)OC 2708a_200011215754_100020591295 [0,2,0,0,0,0|2,0,0]=4 6356 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@@H](C)OC 273464a_100020591295_200011215754 [0,2,0,0,0,0|2,0,0]=4 6357 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@@H](C)OC 273464a_200011215754_100020591295 [0,2,0,0,0,0|2,0,0]=4 6358 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@@H](C)OC 512a_100020591295_200011215754 [0,2,0,0,0,0|2,0,0]=4 6359 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@@H](C)OC 512a_200011215754_100020591295 [0,2,0,0,0,0|2,0,0]=4 6360 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@@H](F)CO 2708a_200011215754_100015665980 [0,2,0,0,0,0|2,0,0]=4 6361 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@@H](F)CO 273464a_100015665980_200011215754 [0,2,0,0,0,0|2,0,0]=4 6362 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@@H](F)CO 273464a_200011215754_100015665980 [0,2,0,0,0,0|2,0,0]=4 6363 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@@H](F)CO 512a_100015665980_200011215754 [0,2,0,0,0,0|2,0,0]=4 6364 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@@H](F)CO 512a_200011215754_100015665980 [0,2,0,0,0,0|2,0,0]=4 6365 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@H](O)CO 2708a_200011215754_100020644852 [0,2,0,0,0,0|2,0,0]=4 6366 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@H](O)CO 273464a_100020644852_200011215754 [0,2,0,0,0,0|2,0,0]=4 6367 B19R0.18068 CCCCCCCCCCCNC(=O)NC[C@H](O)CO 273464a_200011215754_100020644852 [0,2,0,0,0,0|2,0,0]=4 6368 B19R0.18068 CCCCCCCCCCCNC(=O)NNC(C)CC 273464a_200011215754_100000718999 [0,2,0,0,0,0|2,0,0]=4 6369 B19R0.18068 CCCCCCCCCCCNC(=O)NNC(C)CC 512a_100000718999_200011215754 [0,2,0,0,0,0|2,0,0]=4 6370 B19R0.18068 CCCCCCCCCCCNC(=O)NNC(C)CC 512a_200011215754_100000718999 [0,2,0,0,0,0|2,0,0]=4 6371 B19R0.18068 CCCCCCCCCCNCC(=O)NCC(O)CO 2230a_100000684558_200012027429 [0,2,0,0,0,0|2,0,0]=4 6372 B19R0.18068 CCCCCCCCCCNCC(=O)NCC(O)CO 34a_100000684558_200012027429 [0,2,0,0,0,0|2,0,0]=4 6373 B19R0.18068 CCCCCCCCCCOCC(=O)NCC(O)CO 34a_100000210711_200012027429 [0,2,0,0,0,0|2,0,0]=4 6374 B19R0.18068 CCCCCCCCCCOCC(=O)NCC(O)CO 7a_100000210711_200012027429 [0,2,0,0,0,0|2,0,0]=4 6375 B19R0.18068 CCCCCCCCCCSCC(=O)NCC(O)CO 62a_200012027429_100000210320 [0,2,0,0,0,0|2,0,0]=4 6376 B19R0.18068 CO[C@H](C)CNC(=O)CCCCCCCCCCCO 240690a_100020591295_100000037981 [0,2,0,0,0,0|2,0,0]=4 6377 B19R0.18068 O=C(CCCCCCCCCCCO)NC[C@@H](F)CO 240690a_100015665980_100000037981 [0,2,0,0,0,0|2,0,0]=4 6378 B19R0.18068 O=C(CCCCCCCCCCCO)NC[C@H](O)CO 240690a_100020644852_100000037981 [0,2,0,0,0,0|2,0,0]=4 6379 B19R0.22875 CCC(CC)CNC(=O)CCCCCCCCCCO 240690a_100102946423_200000016029 [0,2,0,0,0,0|2,0,0]=4 6380 B19R0.22875 CCC(CNC(=O)CCCCCCCCCCO)OC 240690a_100000731041_200000016029 [0,2,0,0,0,0|2,0,0]=4 6381 B19R0.22875 CCCCCCCCCCCC(=O)NCC(CC)CC 11a_100102946423_100000210736 [0,2,0,0,0,0|1,0,0]=3 6382 B19R0.22875 CCCCCCCCCCCC(=O)NCC(CC)CC 1626a_100102946423_100000210736 [0,2,0,0,0,0|1,0,0]=3 6383 B19R0.22875 CCCCCCCCCCCC(=O)NCC(CC)CC 240690a_100102946423_100000210736 [0,2,0,0,0,0|1,0,0]=3 6384 B19R0.22875 CCCCCCCCCCCC(=O)NCC(CC)OC 11a_100000731041_100000210736 [0,2,0,0,0,0|1,0,0]=3 6385 B19R0.22875 CCCCCCCCCCCC(=O)NCC(CC)OC 1626a_100000731041_100000210736 [0,2,0,0,0,0|1,0,0]=3 6386 B19R0.22875 CCCCCCCCCCCC(=O)NCC(CC)OC 240690a_100000731041_100000210736 [0,2,0,0,0,0|1,0,0]=3 6387 B19R0.22875 CCCCCCCCCCCC(=O)NCC(OC)OC 11a_100000210479_100000210736 [0,2,0,0,0,0|2,0,0]=4 6388 B19R0.22875 CCCCCCCCCCCC(=O)NCC(OC)OC 1626a_100000210479_100000210736 [0,2,0,0,0,0|2,0,0]=4 6389 B19R0.22875 CCCCCCCCCCCC(=O)NCC(OC)OC 240690a_100000210479_100000210736 [0,2,0,0,0,0|2,0,0]=4 6390 B19R0.22875 CCCCCCCCCCCC(=O)NNC(CC)CC 22a_100000756293_100000210736 [0,2,0,0,0,0|2,0,0]=4 6391 B19R0.22875 CCCCCCCCCCCC(=O)OCN(CC)CC 2230a_100000724800_100020644155 [0,2,0,0,0,0|1,0,0]=3 6392 B19R0.22875 CCCCCCCCCCCC(=O)OCN(CC)CC 269956a_100000042499_100020644155 [0,2,0,0,0,0|1,0,0]=3 6393 B19R0.22875 CCCCCCCCCCCC(=O)OCN(CC)CC 269982a_100000724800_100020644155 [0,2,0,0,0,0|1,0,0]=3 6394 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)CC 2708a_100000684558_100102946423 [0,2,0,0,0,0|2,0,0]=4 6395 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)CC 2708a_100102946423_100000684558 [0,2,0,0,0,0|2,0,0]=4 6396 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)CC 273464a_100000684558_100102946423 [0,2,0,0,0,0|2,0,0]=4 6397 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)CC 273464a_100102946423_100000684558 [0,2,0,0,0,0|2,0,0]=4 6398 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)CC 512a_100000684558_100102946423 [0,2,0,0,0,0|2,0,0]=4 6399 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)CC 512a_100102946423_100000684558 [0,2,0,0,0,0|2,0,0]=4 6400 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)OC 2708a_100000684558_100000731041 [0,2,0,0,0,0|2,0,0]=4 6401 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)OC 2708a_100000731041_100000684558 [0,2,0,0,0,0|2,0,0]=4 6402 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)OC 273464a_100000684558_100000731041 [0,2,0,0,0,0|2,0,0]=4 6403 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)OC 273464a_100000731041_100000684558 [0,2,0,0,0,0|2,0,0]=4 6404 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)OC 512a_100000684558_100000731041 [0,2,0,0,0,0|2,0,0]=4 6405 B19R0.22875 CCCCCCCCCCNC(=O)NCC(CC)OC 512a_100000731041_100000684558 [0,2,0,0,0,0|2,0,0]=4 6406 B19R0.25692 CCCCCCCCCCCC(=O)CCS(=O)(=O)CC 1458a_100000210736_100000756660 [0,2,0,0,0,0|2,0,0]=4 6407 B19R0.25692 CCCCCCCCCCCC(=O)NCC(C)(C)CO 240690a_100020635058_100000210736 [0,2,0,0,0,0|2,0,0]=4 6408 B19R0.25692 CCCCCCCCCCCC(=O)NCC(C)(C)OC 11a_100000763424_100000210736 [0,2,0,0,0,0|2,0,0]=4 6409 B19R0.25692 CCCCCCCCCCCC(=O)NCC(C)(C)OC 1626a_100000763424_100000210736 [0,2,0,0,0,0|2,0,0]=4 6410 B19R0.25692 CCCCCCCCCCCC(=O)NCC(C)(C)OC 240690a_100000763424_100000210736 [0,2,0,0,0,0|2,0,0]=4 6411 B19R0.25692 CCCCCCCCCCCC(=O)NCC(F)(F)CO 240690a_100000703232_100000210736 [0,2,0,0,0,0|2,0,0]=4 6412 B19R0.25780 CCCCCCCCCC(O)CC(=O)NCC(C)CC 1626a_100020588543_200012339438 [0,2,0,0,0,0|1,0,0]=3 6413 B19R0.25780 CCCCCCCCCC(O)CC(=O)NCC(C)CC 240690a_100020588543_200012339438 [0,2,0,0,0,0|1,0,0]=3 6414 B19R0.25780 CCCCCCCCCC(O)CC(=O)NCC(C)CO 240690a_100000744482_200012339438 [0,2,0,0,0,0|2,0,0]=4 6415 B19R0.25780 CCCCCCCCCC(O)CC(=O)NCC(O)CC 240690a_100011218483_200012339438 [0,2,0,0,0,0|1,0,0]=3 6416 B19R0.25780 CCCCCCCCCC(O)CC(=O)NC[C@@H](C)OC 1626a_100020591295_200012339438 [0,2,0,0,0,0|2,0,0]=4 6417 B19R0.25780 CCCCCCCCCC(O)CC(=O)NC[C@@H](C)OC 240690a_100020591295_200012339438 [0,2,0,0,0,0|2,0,0]=4 6418 B19R0.25780 CCCCCCCCCC(O)CC(=O)NC[C@@H](F)CO 240690a_100015665980_200012339438 [0,2,0,0,0,0|2,0,0]=4 6419 B19R0.25780 CCCCCCCCCC(O)CC(=O)NC[C@H](O)CO 240690a_100020644852_200012339438 [0,2,0,0,0,0|2,0,0]=4 6420 B19R0.25780 CCCCCCCCCC(O)CC(=O)NNC(C)CC 22a_100000718999_200012339438 [0,2,0,0,0,0|2,0,0]=4 6421 B19R0.3512 CCCCC(C)CCCCOCC(=O)N(C)CCCC 34a_200011021034_100000230175 [0,2,0,0,0,0|2,0,0]=4 6422 B19R0.3512 CCCCC(C)CCCCOCC(=O)N(C)CCCC 7a_200011021034_100000230175 [0,2,0,0,0,0|2,0,0]=4 6423 B19R0.9203 CCCCCCCCCCCC(=O)N(CC)CCCC 11a_100000207695_100000210736 [0,2,0,0,0,0|1,0,0]=3 6424 B19R0.9203 CCCCCCCCCCCC(=O)N(CC)CCCC 1626a_100000207695_100000210736 [0,2,0,0,0,0|1,0,0]=3 6425 B19R0.9203 CCCCCCCCCCCC(=O)N(CC)CCCC 240690a_100000207695_100000210736 [0,2,0,0,0,0|1,0,0]=3 6426 B19R0.9203 CCCCCCCCCCCC(=O)N(CC)CCOC 11a_100000731262_100000210736 [0,2,0,0,0,0|2,0,0]=4 6427 B19R0.9203 CCCCCCCCCCCC(=O)N(CC)CCOC 1626a_100000731262_100000210736 [0,2,0,0,0,0|2,0,0]=4 6428 B19R0.9203 CCCCCCCCCCCC(=O)N(CC)CCOC 240690a_100000731262_100000210736 [0,2,0,0,0,0|2,0,0]=4 6429 B19R0.9203 CCCCCCCCCCNC(=O)C(CC)CCCC 11a_100000684558_100000211130 [0,2,0,0,0,0|2,0,0]=4 6430 B19R0.9203 CCCCCCCCCCNC(=O)C(CC)CCCC 1626a_100000684558_100000211130 [0,2,0,0,0,0|2,0,0]=4 6431 B19R0.9203 CCCCCCCCCCNC(=O)C(CC)CCCC 240690a_100000684558_100000211130 [0,2,0,0,0,0|2,0,0]=4 6432 B19R0.9203 CCCCCCCCCCNC(=O)C(CC)CCCC 527a_100000684558_100000211130 [0,2,0,0,0,0|2,0,0]=4 6433 B19R0.9203 CCCCCCCCCCNC(=O)N(CC)CCCC 2708a_100000684558_100000207695 [0,2,0,0,0,0|2,0,0]=4 6434 B19R0.9203 CCCCCCCCCCNC(=O)N(CC)CCCC 273464a_100000684558_100000207695 [0,2,0,0,0,0|2,0,0]=4 6435 B19R0.9203 CCCCCCCCCNCC(=O)N(CC)CCCC 2230a_100000212291_100000230192 [0,2,0,0,0,0|2,0,0]=4 6436 B19R0.9203 CCCCCCCCCNCC(=O)N(CC)CCCC 34a_100000212291_100000230192 [0,2,0,0,0,0|2,0,0]=4 6437 B19R0.9203 CCCCCCCCCOCC(=O)N(CC)CCCC 34a_100000210712_100000230192 [0,2,0,0,0,0|2,0,0]=4 6438 B19R0.9203 CCCCCCCCCOCC(=O)N(CC)CCCC 7a_100000210712_100000230192 [0,2,0,0,0,0|2,0,0]=4 6439 B19R0.9203 CCCCN(CC)C(=O)CCCCCCCCCCO 240690a_100000207695_200000016029 [0,2,0,0,0,0|2,0,0]=4 6440 B19R0.13093 CCCCCCCCC(C)OCC(=O)N(C)CCCC 34a_100000210740_100000230175 [0,2,0,0,0,0|2,0,0]=4 6441 B19R0.13093 CCCCCCCCC(C)OCC(=O)N(C)CCCC 7a_100000210740_100000230175 [0,2,0,0,0,0|2,0,0]=4 6442 B19R0.13892 CCCCCCCCCCN(C)C(=O)C(C)CCCC 11a_100000207566_100000725509 [0,2,0,0,0,0|2,0,0]=4 6443 B19R0.13892 CCCCCCCCCCN(C)C(=O)C(C)CCCC 1626a_100000207566_100000725509 [0,2,0,0,0,0|2,0,0]=4 6444 B19R0.13892 CCCCCCCCCCN(C)C(=O)C(C)CCCC 240690a_100000207566_100000725509 [0,2,0,0,0,0|2,0,0]=4 6445 B19R0.13892 CCCCCCCCCCN(C)C(=O)C(C)CCCC 527a_100000207566_100000725509 [0,2,0,0,0,0|2,0,0]=4 6446 B19R0.13892 CCCCCCCCCCN(C)C(=O)C(O)CCCC 240690a_100000207566_100000720857 [0,2,0,0,0,0|2,0,0]=4 6447 B19R0.13892 CCCCCCCCCCN(C)C(=O)C(O)CCCC 527a_100000207566_100000720857 [0,2,0,0,0,0|2,0,0]=4 6448 B19R0.15695 CCCCCCC(C)CCOCC(=O)N(C)CCCC 34a_200011024964_100000230175 [0,2,0,0,0,0|2,0,0]=4 6449 B19R0.15695 CCCCCCC(C)CCOCC(=O)N(C)CCCC 7a_200011024964_100000230175 [0,2,0,0,0,0|2,0,0]=4 6450 B19R0.18069 CCC/C=C(\C)/C(=O)CCCCCCCCCCCO 1458a_200020648666_100009812471 [0,2,0,0,0,0|1,0,1]=4 6451 B19R0.18069 CCC/C=C(\C)/C(=O)NCCCCCCCCCCC 11a_200011215754_200020648666 [0,2,0,0,0,0|1,0,1]=4 6452 B19R0.18069 CCC/C=C(\C)/C(=O)NCCCCCCCCCCC 1626a_200011215754_200020648666 [0,2,0,0,0,0|1,0,1]=4 6453 B19R0.18069 CCC/C=C(\C)/C(=O)NCCCCCCCCCCC 240690a_200011215754_200020648666 [0,2,0,0,0,0|1,0,1]=4 6454 B19R0.18069 CCCCC#CCCCCCCC(=O)C(C)CCCC 1458a_100000725509_200000043322 [0,2,0,0,0,0|1,0,1]=4 6455 B19R0.18069 CCCCC#CCCCCCCC(=O)C(O)CCCC 1458a_100000720857_200000043322 [0,2,0,0,0,0|1,0,1]=4 6456 B19R0.18069 CCCCC(C)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000725509 [0,2,0,0,0,0|2,0,0]=4 6457 B19R0.18069 CCCCC(O)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000720857 [0,2,0,0,0,0|2,0,0]=4 6458 B19R0.18069 CCCCCCCCCCC=CC(=O)N(C)CCCC 11a_100000207549_100015291182 [0,2,0,0,0,0|1,0,1]=4 6459 B19R0.18069 CCCCCCCCCCC=CC(=O)N(C)CCCC 1626a_100000207549_100015291182 [0,2,0,0,0,0|1,0,1]=4 6460 B19R0.18069 CCCCCCCCCCC=CC(=O)N(C)CCCC 240690a_100000207549_100015291182 [0,2,0,0,0,0|1,0,1]=4 6461 B19R0.18069 CCCCCCCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000759014 [0,2,0,0,0,0|2,0,0]=4 6462 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCCC 11a_100000207549_100011215791 [0,2,0,0,0,0|1,0,0]=3 6463 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCCC 1626a_100000207549_100011215791 [0,2,0,0,0,0|1,0,0]=3 6464 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCCC 240690a_100000207549_100011215791 [0,2,0,0,0,0|1,0,0]=3 6465 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCCO 240690a_100000213112_100011215791 [0,2,0,0,0,0|2,0,0]=4 6466 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCOC 11a_100000743101_100011215791 [0,2,0,0,0,0|2,0,0]=4 6467 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCOC 1626a_100000743101_100011215791 [0,2,0,0,0,0|2,0,0]=4 6468 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCOC 240690a_100000743101_100011215791 [0,2,0,0,0,0|2,0,0]=4 6469 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCSC 11a_100000686725_100011215791 [0,2,0,0,0,0|2,0,0]=4 6470 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCSC 1626a_100000686725_100011215791 [0,2,0,0,0,0|2,0,0]=4 6471 B19R0.18069 CCCCCCCCCCCCC(=O)N(C)CCSC 240690a_100000686725_100011215791 [0,2,0,0,0,0|2,0,0]=4 6472 B19R0.18069 CCCCCCCCCCCNC(=O)C(=O)NCCC 1626a_200011215754_200011297150 [0,2,0,0,0,0|2,0,0]=4 6473 B19R0.18069 CCCCCCCCCCCNC(=O)C(=O)NCCC 240690a_200011215754_200011297150 [0,2,0,0,0,0|2,0,0]=4 6474 B19R0.18069 CCCCCCCCCCCNC(=O)C(=O)NCCC 527a_200011215754_200011297150 [0,2,0,0,0,0|2,0,0]=4 6475 B19R0.18069 CCCCCCCCCCCNC(=O)C(C)CCCC 11a_200011215754_100000725509 [0,2,0,0,0,0|1,0,0]=3 6476 B19R0.18069 CCCCCCCCCCCNC(=O)C(C)CCCC 1626a_200011215754_100000725509 [0,2,0,0,0,0|1,0,0]=3 6477 B19R0.18069 CCCCCCCCCCCNC(=O)C(C)CCCC 240690a_200011215754_100000725509 [0,2,0,0,0,0|1,0,0]=3 6478 B19R0.18069 CCCCCCCCCCCNC(=O)C(C)CCCC 527a_200011215754_100000725509 [0,2,0,0,0,0|1,0,0]=3 6479 B19R0.18069 CCCCCCCCCCCNC(=O)C(O)CCCC 240690a_200011215754_100000720857 [0,2,0,0,0,0|1,0,0]=3 6480 B19R0.18069 CCCCCCCCCCCNC(=O)C(O)CCCC 527a_200011215754_100000720857 [0,2,0,0,0,0|1,0,0]=3 6481 B19R0.18069 CCCCCCCCCCCNC(=O)C(O)CCSC 240690a_200011215754_100000685904 [0,2,0,0,0,0|2,0,0]=4 6482 B19R0.18069 CCCCCCCCCCCNC(=O)N(C)CCCC 2708a_200011215754_100000207549 [0,2,0,0,0,0|1,0,0]=3 6483 B19R0.18069 CCCCCCCCCCCNC(=O)N(C)CCCC 273464a_200011215754_100000207549 [0,2,0,0,0,0|1,0,0]=3 6484 B19R0.18069 CCCCCCCCCCCNC(=O)N(C)CCCO 2708a_200011215754_100000213112 [0,2,0,0,0,0|2,0,0]=4 6485 B19R0.18069 CCCCCCCCCCCNC(=O)N(C)CCCO 273464a_200011215754_100000213112 [0,2,0,0,0,0|2,0,0]=4 6486 B19R0.18069 CCCCCCCCCCCNC(=O)N(C)CCOC 2708a_200011215754_100000743101 [0,2,0,0,0,0|2,0,0]=4 6487 B19R0.18069 CCCCCCCCCCCNC(=O)N(C)CCOC 273464a_200011215754_100000743101 [0,2,0,0,0,0|2,0,0]=4 6488 B19R0.18069 CCCCCCCCCCCNC(=O)N(C)CCSC 2708a_200011215754_100000686725 [0,2,0,0,0,0|2,0,0]=4 6489 B19R0.18069 CCCCCCCCCCCNC(=O)N(C)CCSC 273464a_200011215754_100000686725 [0,2,0,0,0,0|2,0,0]=4 6490 B19R0.18069 CCCCCCCCCCNCC(=O)N(C)CCCC 2230a_100000684558_100000230175 [0,2,0,0,0,0|1,0,0]=3 6491 B19R0.18069 CCCCCCCCCCNCC(=O)N(C)CCCC 34a_100000684558_100000230175 [0,2,0,0,0,0|1,0,0]=3 6492 B19R0.18069 CCCCCCCCCCOCC(=O)N(C)CCCC 34a_100000210711_100000230175 [0,2,0,0,0,0|1,0,0]=3 6493 B19R0.18069 CCCCCCCCCCOCC(=O)N(C)CCCC 7a_100000210711_100000230175 [0,2,0,0,0,0|1,0,0]=3 6494 B19R0.18069 CCCCCCCCCCSCC(=O)N(C)CCCC 62a_100000230175_100000210320 [0,2,0,0,0,0|1,0,0]=3 6495 B19R0.18069 CCCCN(C)C(=O)CCCCCCCCCCCO 240690a_100000207549_100000037981 [0,2,0,0,0,0|1,0,0]=3 6496 B19R0.18069 CCCCN(C)C(=O)CNCCCCCCCCCO 2230a_100000078944_100000230175 [0,2,0,0,0,0|2,0,0]=4 6497 B19R0.18069 CCCCN(C)C(=O)CNCCCCCCCCCO 34a_100000078944_100000230175 [0,2,0,0,0,0|2,0,0]=4 6498 B19R0.18069 CCCCN(C)C(=O)COCCCCCCCCCBr 34a_100009813782_100000230175 [0,2,0,0,0,0|2,0,0]=4 6499 B19R0.18069 CCCCN(C)C(=O)COCCCCCCCCCBr 7a_100009813782_100000230175 [0,2,0,0,0,0|2,0,0]=4 6500 B19R0.18069 CCCCN(C)C(=O)COCCCCCCCCCCl 34a_100009868337_100000230175 [0,2,0,0,0,0|2,0,0]=4 6501 B19R0.18069 CCCCN(C)C(=O)COCCCCCCCCCCl 7a_100009868337_100000230175 [0,2,0,0,0,0|2,0,0]=4 6502 B19R0.18069 CCCCN(C)C(=O)COCCCCCCCCCN 34a_100000078944_100000230175 [0,2,0,0,0,0|2,0,0]=4 6503 B19R0.18069 CCCCN(C)C(=O)CSCCCCCCCCCO 62a_100000230175_100009813782 [0,2,0,0,0,0|2,0,0]=4 6504 B19R0.18069 CCCCN(C)C(=O)CSCCCCCCCCCO 62a_100009813782_100000230175 [0,2,0,0,0,0|2,0,0]=4 6505 B19R0.18069 CCCCN(C)C(=O)NCCCCCCCCCCO 2708a_100000066964_100000207549 [0,2,0,0,0,0|2,0,0]=4 6506 B19R0.18069 CCCCN(C)C(=O)NCCCCCCCCCCO 273464a_100000066964_100000207549 [0,2,0,0,0,0|2,0,0]=4 6507 B19R0.18069 CCCNC(=O)C(=O)CCCCCCCCCCCO 1458a_200011297150_100009812471 [0,2,0,0,0,0|2,0,0]=4 6508 B19R0.18069 CN(CCCO)C(=O)CCCCCCCCCCCO 240690a_100000213112_100000037981 [0,2,0,0,0,0|2,0,0]=4 6509 B19R0.18069 COCCN(C)C(=O)CCCCCCCCCCCO 240690a_100000743101_100000037981 [0,2,0,0,0,0|2,0,0]=4 6510 B19R0.18069 CSCCN(C)C(=O)CCCCCCCCCCCO 240690a_100000686725_100000037981 [0,2,0,0,0,0|2,0,0]=4 6511 B19R0.23283 CCCCC(C)(C)C(=O)CCCCCCCCCCO 1458a_100011216040_100009813290 [0,2,0,0,0,0|2,0,0]=4 6512 B19R0.23283 CCCCC(C)(O)C(=O)CCCCCCCCCCO 1458a_100000137666_100009813290 [0,2,0,0,0,0|2,0,0]=4 6513 B19R0.23283 CCCCC(F)(F)C(=O)CCCCCCCCCCO 1458a_100000100317_100009813290 [0,2,0,0,0,0|2,0,0]=4 6514 B19R0.23283 CCCCCCCCCCCC(=O)C(C)(O)CCCC 1458a_100000137666_100011215454 [0,2,0,0,0,0|1,0,0]=3 6515 B19R0.23283 CCCCCCCCCCNC(=O)C(C)(C)CCCC 11a_100000684558_100011216040 [0,2,0,0,0,0|2,0,0]=4 6516 B19R0.23283 CCCCCCCCCCNC(=O)C(C)(C)CCCC 1626a_100000684558_100011216040 [0,2,0,0,0,0|2,0,0]=4 6517 B19R0.23283 CCCCCCCCCCNC(=O)C(C)(C)CCCC 240690a_100000684558_100011216040 [0,2,0,0,0,0|2,0,0]=4 6518 B19R0.23283 CCCCCCCCCCNC(=O)C(C)(C)CCCC 527a_100000684558_100011216040 [0,2,0,0,0,0|2,0,0]=4 6519 B19R0.23283 CCCCCCCCCCNC(=O)C(C)(O)CCCC 240690a_100000684558_100000137666 [0,2,0,0,0,0|2,0,0]=4 6520 B19R0.23283 CCCCCCCCCCNC(=O)C(F)(F)CCCC 11a_100000684558_100000100317 [0,2,0,0,0,0|2,0,0]=4 6521 B19R0.23283 CCCCCCCCCCNC(=O)C(F)(F)CCCC 1626a_100000684558_100000100317 [0,2,0,0,0,0|2,0,0]=4 6522 B19R0.23283 CCCCCCCCCCNC(=O)C(F)(F)CCCC 240690a_100000684558_100000100317 [0,2,0,0,0,0|2,0,0]=4 6523 B19R0.23283 CCCCCCCCCCNC(=O)C(F)(F)CCCC 527a_100000684558_100000100317 [0,2,0,0,0,0|2,0,0]=4 6524 B19R0.91503 CCCCCCCCCC(=O)CC(=O)N(C)CCCC 1458a_100000210558_100000230175 [0,2,0,0,0,0|1,0,1]=4 6525 B19R0.91503 CCCCCCCCCC(O)CC(=O)N(C)CCCC 1626a_100000207549_200012339438 [0,2,0,0,0,0|1,0,0]=3 6526 B19R0.91503 CCCCCCCCCC(O)CC(=O)N(C)CCCC 240690a_100000207549_200012339438 [0,2,0,0,0,0|1,0,0]=3 6527 B19R0.91503 CCCCCCCCCC(O)CC(=O)N(C)CCCO 240690a_100000213112_200012339438 [0,2,0,0,0,0|2,0,0]=4 6528 B19R0.91503 CCCCCCCCCC(O)CC(=O)N(C)CCOC 1626a_100000743101_200012339438 [0,2,0,0,0,0|2,0,0]=4 6529 B19R0.91503 CCCCCCCCCC(O)CC(=O)N(C)CCOC 240690a_100000743101_200012339438 [0,2,0,0,0,0|2,0,0]=4 6530 B19R0.91503 CCCCCCCCCC(O)CC(=O)N(C)CCSC 1626a_100000686725_200012339438 [0,2,0,0,0,0|2,0,0]=4 6531 B19R0.91503 CCCCCCCCCC(O)CC(=O)N(C)CCSC 240690a_100000686725_200012339438 [0,2,0,0,0,0|2,0,0]=4 6532 B19R0.91503 CCCCCCCCCN(C)CC(=O)N(C)CCCC 2230a_100000232482_100000230175 [0,2,0,0,0,0|2,0,0]=4 6533 B19R0.91503 CCCCCCCCCN(C)CC(=O)N(C)CCCC 269982a_100000232482_100000230175 [0,2,0,0,0,0|2,0,0]=4 6534 B19R0.15678 CCCCCCC(C)CCOC(C)C(=O)NCCCC 34a_200011024964_100000735917 [0,2,0,0,0,0|2,0,0]=4 6535 B19R0.15678 CCCCCCC(C)CCOC(C)C(=O)NCCCC 7a_200011024964_100000735917 [0,2,0,0,0,0|2,0,0]=4 6536 B19R0.15678 CCCCCCC(C)CCOC(C)C(=O)OCCCC 34a_200011024964_100000759602 [0,2,0,0,0,0|1,0,0]=3 6537 B19R0.15678 CCCCCCC(C)CCOC(C)C(=O)OCCCC 7a_200011024964_100000759602 [0,2,0,0,0,0|1,0,0]=3 6538 B19R0.22779 CCCCCCCCCC(=O)C(C)C(=O)NCCCC 1458a_100000210558_100000735917 [0,2,0,0,0,0|1,0,1]=4 6539 B19R0.22779 CCCCCCCCCC(=O)C(C)C(=O)OCCCC 1458a_100000210558_100000759602 [0,2,0,0,0,0|0,0,1]=3 6540 B19R0.22779 CCCCCCCCCN(C)C(C)C(=O)NCCCC 2230a_100000232482_100000735917 [0,2,0,0,0,0|2,0,0]=4 6541 B19R0.22779 CCCCCCCCCN(C)C(C)C(=O)NCCCC 269982a_100000232482_100000735917 [0,2,0,0,0,0|2,0,0]=4 6542 B19R0.22779 CCCCCCCCCN(C)C(C)C(=O)OCCCC 2230a_100000232482_100000759602 [0,2,0,0,0,0|1,0,0]=3 6543 B19R0.22779 CCCCCCCCCN(C)C(C)C(=O)OCCCC 269982a_100000232482_100000759602 [0,2,0,0,0,0|1,0,0]=3 6544 B19R0.31770 CCCCNC(=O)C(C)OCCCCC(C)CCCC 34a_200011021034_100000735917 [0,2,0,0,0,0|2,0,0]=4 6545 B19R0.31770 CCCCNC(=O)C(C)OCCCCC(C)CCCC 7a_200011021034_100000735917 [0,2,0,0,0,0|2,0,0]=4 6546 B19R0.31770 CCCCOC(=O)C(C)OCCCCC(C)CCCC 34a_200011021034_100000759602 [0,2,0,0,0,0|1,0,0]=3 6547 B19R0.31770 CCCCOC(=O)C(C)OCCCCC(C)CCCC 7a_200011021034_100000759602 [0,2,0,0,0,0|1,0,0]=3 6548 B19R0.62069 CCCCCCCCCNC(CC)C(=O)NCCCC 2230a_100000212291_200011763471 [0,2,0,0,0,0|2,0,0]=4 6549 B19R0.62069 CCCCCCCCCOC(CC)C(=O)NCCCC 7a_100000210712_200011763471 [0,2,0,0,0,0|2,0,0]=4 6550 B19R0.62069 CCCCCCCCCO[C@@H](CC)C(=O)OCCCC 34a_100020628826_100011214924 [0,2,0,0,0,0|1,0,0]=3 6551 B19R0.62069 CCCCCCCCCO[C@@H](CC)C(=O)OCCCC 7a_100020628826_100000210328 [0,2,0,0,0,0|1,0,0]=3 6552 B19R0.62069 CCCCCCCCCSC(CC)C(=O)NCCCC 62a_200011763471_100000210670 [0,2,0,0,0,0|2,0,0]=4 6553 B19R0.62069 CCCCOC(=O)[C@H](CC)OCCCCCCCCO 34a_100020628826_100000033203 [0,2,0,0,0,0|2,0,0]=4 6554 B19R0.62069 CCCCOC(=O)[C@H](CC)OCCCCCCCCO 7a_100020628826_100000033203 [0,2,0,0,0,0|2,0,0]=4 6555 B19R0.65285 CCCCCCCCC(C)OC(C)C(=O)NCCCC 34a_100000210740_100000735917 [0,2,0,0,0,0|2,0,0]=4 6556 B19R0.65285 CCCCCCCCC(C)OC(C)C(=O)NCCCC 7a_100000210740_100000735917 [0,2,0,0,0,0|2,0,0]=4 6557 B19R0.65285 CCCCCCCCC(C)OC(C)C(=O)OCCCC 34a_100000210740_100000759602 [0,2,0,0,0,0|1,0,0]=3 6558 B19R0.65285 CCCCCCCCC(C)OC(C)C(=O)OCCCC 7a_100000210740_100000759602 [0,2,0,0,0,0|1,0,0]=3 6559 B19R0.17214 CCCCC(CC)CCCCSCC(=O)OCCOC 62a_200000040189_200012094884 [0,2,0,0,0,0|2,0,0]=4 6560 B19R0.17214 CCCCC(CC)CCCCSCC(=O)OCCOC 62a_200012094884_200000040189 [0,2,0,0,0,0|2,0,0]=4 6561 B19R0.17214 CCCCNC(=O)CSCCCCC(CC)CCCC 62a_100000182744_200012094884 [0,2,0,0,0,0|2,0,0]=4 6562 B19R0.17214 CCCCNC(=O)CSCCCCC(CC)CCCC 62a_200012094884_100000182744 [0,2,0,0,0,0|2,0,0]=4 6563 B19R0.17214 CCCCOC(=O)COCCCCN(CCCC)N=O 34a_200000034022_100000211628 [0,2,0,0,0,0|2,0,0]=4 6564 B19R0.17214 CCCCOC(=O)COCCCCN(CCCC)N=O 7a_200000034022_100000211628 [0,2,0,0,0,0|2,0,0]=4 6565 B19R0.17214 CCCCOC(=O)CSCCCCC(CC)CCCC 62a_100000211628_200012094884 [0,2,0,0,0,0|1,0,0]=3 6566 B19R0.17214 CCCCOC(=O)CSCCCCC(CC)CCCC 62a_200012094884_100000211628 [0,2,0,0,0,0|1,0,0]=3 6567 B19R0.7805 C#CCCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000029693_100000211628 [0,2,0,0,0,0|0,0,2]=4 6568 B19R0.7805 C=CCCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000211349_100000211628 [0,2,0,0,0,0|0,0,2]=4 6569 B19R0.7805 CC#CCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000066323_100000211628 [0,2,0,0,0,0|0,0,2]=4 6570 B19R0.7805 CCCCCCCCC=CC(=O)CC(=O)OCCCC 1458a_100015345288_100000211628 [0,2,0,0,0,0|0,0,2]=4 6571 B19R0.7805 CCCCCCCCCCC(=O)CC(=O)NCCCC 1458a_100000210375_100000182744 [0,2,0,0,0,0|1,0,0]=3 6572 B19R0.7805 CCCCCCCCCCC(=O)CC(=O)NCCOC 1458a_100000210375_100000183275 [0,2,0,0,0,0|2,0,0]=4 6573 B19R0.7805 CCCCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000210375_100000211628 [0,2,0,0,0,0|0,0,0]=2 6574 B19R0.7805 CCCCCCCCCCC(=O)CC(=O)OCCOC 1458a_100000210375_200000040189 [0,2,0,0,0,0|1,0,0]=3 6575 B19R0.7805 CCCCCCCCCCN(C)CC(=O)NCCCC 2230a_100000207566_100000182744 [0,2,0,0,0,0|1,0,0]=3 6576 B19R0.7805 CCCCCCCCCCN(C)CC(=O)NCCCC 2230a_200000213093_100000210320 [0,2,0,0,0,0|1,0,0]=3 6577 B19R0.7805 CCCCCCCCCCN(C)CC(=O)NCCCC 269982a_100000207566_100000182744 [0,2,0,0,0,0|1,0,0]=3 6578 B19R0.7805 CCCCCCCCCCN(C)CC(=O)NCCCC 269982a_200000213093_100000210320 [0,2,0,0,0,0|1,0,0]=3 6579 B19R0.7805 CCCCCCCCCCN(C)CC(=O)NCCOC 2230a_100000207566_100000183275 [0,2,0,0,0,0|2,0,0]=4 6580 B19R0.7805 CCCCCCCCCCN(C)CC(=O)NCCOC 2230a_100020672463_100000210320 [0,2,0,0,0,0|2,0,0]=4 6581 B19R0.7805 CCCCCCCCCCN(C)CC(=O)NCCOC 269982a_100000207566_100000183275 [0,2,0,0,0,0|2,0,0]=4 6582 B19R0.7805 CCCCCCCCCCN(C)CC(=O)NCCOC 269982a_100020672463_100000210320 [0,2,0,0,0,0|2,0,0]=4 6583 B19R0.7805 CCCCCCCCCCN(C)CC(=O)OCCCC 2230a_100000207566_100000211628 [0,2,0,0,0,0|0,0,0]=2 6584 B19R0.7805 CCCCCCCCCCN(C)CC(=O)OCCCC 269982a_100000207566_100000211628 [0,2,0,0,0,0|0,0,0]=2 6585 B19R0.7805 CCCCCCCCCCN(C)CC(=O)OCCOC 2230a_100000207566_200000040189 [0,2,0,0,0,0|1,0,0]=3 6586 B19R0.7805 CCCCCCCCCCN(C)CC(=O)OCCOC 269982a_100000207566_200000040189 [0,2,0,0,0,0|1,0,0]=3 6587 B19R0.7805 CCCCCCCCOCC(=O)CC(=O)NCCCC 1458a_100000759886_100000182744 [0,2,0,0,0,0|1,0,1]=4 6588 B19R0.7805 CCCCCCCCOCC(=O)CC(=O)OCCCC 1458a_100000759886_100000211628 [0,2,0,0,0,0|0,0,1]=3 6589 B19R0.7805 CCCCCCCCOCC(=O)CC(=O)OCCOC 1458a_100000759886_200000040189 [0,2,0,0,0,0|1,0,1]=4 6590 B19R0.7805 CCCCNC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000182744 [0,2,0,0,0,0|1,0,1]=4 6591 B19R0.7805 CCCCNC(=O)CN(C)CCCCCCCCCO 2230a_200000213093_100009813782 [0,2,0,0,0,0|2,0,0]=4 6592 B19R0.7805 CCCCNC(=O)CN(C)CCCCCCCCCO 269982a_200000213093_100009813782 [0,2,0,0,0,0|2,0,0]=4 6593 B19R0.7805 CCCCOC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000211628 [0,2,0,0,0,0|0,0,1]=3 6594 B19R0.7805 COCCOC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_200000040189 [0,2,0,0,0,0|1,0,1]=4 6595 B19R0.60690 CCCCCCCCC(C)N(C)CC(=O)NCCCC 270004a_200000213093_100011216694 [0,2,0,0,0,0|2,0,0]=4 6596 B19R0.60690 CCCCCCCCC(O)C(=O)CC(=O)CCCCC 1458a_200011995895_200012276598 [0,2,0,0,0,0|1,0,1]=4 6597 B19R0.60690 CCCCCCCCC(O)C(=O)CC(=O)NCCCC 1458a_200011995895_100000182744 [0,2,0,0,0,0|1,0,1]=4 6598 B19R0.60690 CCCCCCCCC(O)C(=O)CC(=O)OCCCC 1458a_200011995895_100000211628 [0,2,0,0,0,0|0,0,1]=3 6599 B19R0.60690 CCCCCCCCC(O)C(=O)CC(=O)OCCOC 1458a_200011995895_200000040189 [0,2,0,0,0,0|1,0,1]=4 6600 B19R0.14762 CCCCCCCCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210670 [0,2,0,0,0,0|1,0,1]=4 6601 B19R0.14762 CCCCCCCCCC(=O)OCC(=O)CCCCC 1458a_100000212188_200010990708 [0,2,0,0,0,0|1,0,1]=4 6602 B19R0.14762 CCCCCCCCCC(C)OCC(=O)NCCCC 34a_100011218016_100000182744 [0,2,0,0,0,0|1,0,0]=3 6603 B19R0.14762 CCCCCCCCCC(C)OCC(=O)NCCCC 7a_100011218016_100000182744 [0,2,0,0,0,0|1,0,0]=3 6604 B19R0.14762 CCCCCCCCCC(C)OCC(=O)NCCOC 34a_100011218016_100000183275 [0,2,0,0,0,0|2,0,0]=4 6605 B19R0.14762 CCCCCCCCCC(C)OCC(=O)NCCOC 7a_100011218016_100000183275 [0,2,0,0,0,0|2,0,0]=4 6606 B19R0.14762 CCCCCCCCCC(C)OCC(=O)OCCCC 34a_100011218016_100000211628 [0,2,0,0,0,0|0,0,0]=2 6607 B19R0.14762 CCCCCCCCCC(C)OCC(=O)OCCCC 7a_100011218016_100000211628 [0,2,0,0,0,0|0,0,0]=2 6608 B19R0.14762 CCCCCCCCCC(C)OCC(=O)OCCOC 34a_100011218016_200000040189 [0,2,0,0,0,0|1,0,0]=3 6609 B19R0.14762 CCCCCCCCCC(C)OCC(=O)OCCOC 7a_100011218016_200000040189 [0,2,0,0,0,0|1,0,0]=3 6610 B19R0.25648 C#CCCCCCCCCCOCC(=O)NCCCC 34a_100000034437_100000182744 [0,2,0,0,0,0|1,0,1]=4 6611 B19R0.25648 C#CCCCCCCCCCOCC(=O)NCCCC 7a_100000034437_100000182744 [0,2,0,0,0,0|1,0,1]=4 6612 B19R0.25648 C#CCCCCCCCCCOCC(=O)OCCCC 34a_100000034437_100000211628 [0,2,0,0,0,0|0,0,1]=3 6613 B19R0.25648 C#CCCCCCCCCCOCC(=O)OCCCC 7a_100000034437_100000211628 [0,2,0,0,0,0|0,0,1]=3 6614 B19R0.25648 C#CCCCCCCCCCOCC(=O)OCCOC 34a_100000034437_200000040189 [0,2,0,0,0,0|1,0,1]=4 6615 B19R0.25648 C#CCCCCCCCCCOCC(=O)OCCOC 7a_100000034437_200000040189 [0,2,0,0,0,0|1,0,1]=4 6616 B19R0.25648 C=CCCCCCCCCCCCC(=O)C#CCCC 1458a_200011218047_102130925996 [0,2,0,0,0,0|1,0,1]=4 6617 B19R0.25648 CCCC#CC(=O)CCCCCCCCCCCCO 1458a_200011218047_100009813331 [0,2,0,0,0,0|1,0,1]=4 6618 B19R0.25648 CCCC#CC(=O)CCCCCCOCCCCCO 1458a_200011218047_200132310570 [0,2,0,0,0,0|1,0,1]=4 6619 B19R0.25648 CCCC#CC(=O)NCCCCCCCCCCCC 240690a_100000210451_200011218047 [0,2,0,0,0,0|1,0,1]=4 6620 B19R0.25648 CCCC=CC(=O)NCCCCCCCCCCCC 11a_100000210451_100000212230 [0,2,0,0,0,0|1,0,1]=4 6621 B19R0.25648 CCCC=CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000212230 [0,2,0,0,0,0|1,0,1]=4 6622 B19R0.25648 CCCC=CC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000212230 [0,2,0,0,0,0|1,0,1]=4 6623 B19R0.25648 CCCCCCCC/C=C/COCC(=O)NCCCC 34a_200020667288_100000182744 [0,2,0,0,0,0|1,0,1]=4 6624 B19R0.25648 CCCCCCCC/C=C/COCC(=O)NCCCC 7a_200020667288_100000182744 [0,2,0,0,0,0|1,0,1]=4 6625 B19R0.25648 CCCCCCCC/C=C/COCC(=O)OCCCC 34a_200020667288_100000211628 [0,2,0,0,0,0|0,0,1]=3 6626 B19R0.25648 CCCCCCCC/C=C/COCC(=O)OCCCC 7a_200020667288_100000211628 [0,2,0,0,0,0|0,0,1]=3 6627 B19R0.25648 CCCCCCCC/C=C/COCC(=O)OCCOC 34a_200020667288_200000040189 [0,2,0,0,0,0|1,0,1]=4 6628 B19R0.25648 CCCCCCCC/C=C/COCC(=O)OCCOC 7a_200020667288_200000040189 [0,2,0,0,0,0|1,0,1]=4 6629 B19R0.25648 CCCCCCCCCCC=NNC(=O)CCCCC 4a_100000189784_100011218819 [0,2,0,0,0,0|1,0,1]=4 6630 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000210451 [0,2,0,0,0,0|1,0,0]=3 6631 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCC 2708a_100000210451_100000102301 [0,2,0,0,0,0|1,0,0]=3 6632 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000210451 [0,2,0,0,0,0|1,0,0]=3 6633 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCC 273464a_100000210451_100000102301 [0,2,0,0,0,0|1,0,0]=3 6634 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCC 512a_100000102301_100000210451 [0,2,0,0,0,0|1,0,0]=3 6635 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCC 512a_100000210451_100000102301 [0,2,0,0,0,0|1,0,0]=3 6636 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCF 2708a_100000210451_100015189416 [0,2,0,0,0,0|2,0,0]=4 6637 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCF 2708a_100015189416_100000210451 [0,2,0,0,0,0|2,0,0]=4 6638 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCF 273464a_100000210451_100015189416 [0,2,0,0,0,0|2,0,0]=4 6639 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCF 273464a_100015189416_100000210451 [0,2,0,0,0,0|2,0,0]=4 6640 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCF 512a_100000210451_100015189416 [0,2,0,0,0,0|2,0,0]=4 6641 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCF 512a_100015189416_100000210451 [0,2,0,0,0,0|2,0,0]=4 6642 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCO 2708a_100000210451_100000182051 [0,2,0,0,0,0|2,0,0]=4 6643 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCO 273464a_100000182051_100000210451 [0,2,0,0,0,0|2,0,0]=4 6644 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCO 273464a_100000210451_100000182051 [0,2,0,0,0,0|2,0,0]=4 6645 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCCO 512a_100000210451_100000182051 [0,2,0,0,0,0|2,0,0]=4 6646 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCOC 2708a_100000210451_100000209980 [0,2,0,0,0,0|2,0,0]=4 6647 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCOC 273464a_100000209980_100000210451 [0,2,0,0,0,0|2,0,0]=4 6648 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCOC 273464a_100000210451_100000209980 [0,2,0,0,0,0|2,0,0]=4 6649 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCSC 2708a_100000210451_100020590264 [0,2,0,0,0,0|2,0,0]=4 6650 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCSC 2708a_100020590264_100000210451 [0,2,0,0,0,0|2,0,0]=4 6651 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCSC 273464a_100000210451_100020590264 [0,2,0,0,0,0|2,0,0]=4 6652 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCSC 273464a_100020590264_100000210451 [0,2,0,0,0,0|2,0,0]=4 6653 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCSC 512a_100000210451_100020590264 [0,2,0,0,0,0|2,0,0]=4 6654 B19R0.25648 CCCCCCCCCCCCNC(=O)NCCSC 512a_100020590264_100000210451 [0,2,0,0,0,0|2,0,0]=4 6655 B19R0.25648 CCCCCCCCCCCCNC(=O)NNCCC 273464a_100000210451_100000740057 [0,2,0,0,0,0|2,0,0]=4 6656 B19R0.25648 CCCCCCCCCCCCNC(=O)NNCCC 512a_100000210451_100000740057 [0,2,0,0,0,0|2,0,0]=4 6657 B19R0.25648 CCCCCCCCCCCCNC(=O)NNCCC 512a_100000740057_100000210451 [0,2,0,0,0,0|2,0,0]=4 6658 B19R0.25793 CCCCCCCC(=O)OCSCC(=O)OCCCC 62a_100000211628_100009852258 [0,2,0,0,0,0|1,0,1]=4 6659 B19R0.26422 CCCCCC(=O)CCCCCCCCC(=O)OCC 1458a_100000212188_100010175975 [0,2,0,0,0,0|1,0,1]=4 6660 B19R0.26422 CCCCCC(=O)CCCCCCCCC(=O)OCC 1458a_200000016031_100000210326 [0,2,0,0,0,0|1,0,1]=4 6661 B19R0.26422 CCCCNC(=O)CCCCCCCCC(=O)OCC 11a_100000102301_200000016031 [0,2,0,0,0,0|1,0,1]=4 6662 B19R0.26422 CCCCNC(=O)CCCCCCCCC(=O)OCC 1626a_100000102301_200000016031 [0,2,0,0,0,0|1,0,1]=4 6663 B19R0.26422 CCCCNC(=O)CCCCCCCCC(=O)OCC 240690a_100000102301_200000016031 [0,2,0,0,0,0|1,0,1]=4 6664 B19R0.26422 CCCCNC(=O)CCCCCCCCC(=O)OCC 527a_100000102301_200000016031 [0,2,0,0,0,0|1,0,1]=4 6665 B19R0.26422 CCCCOC(=O)CSCCCCCCC(=O)OCC 62a_100000211628_100009814379 [0,2,0,0,0,0|1,0,1]=4 6666 B19R0.17105 CCCCOC(=O)COCCCCCCN(CC)CC 7a_100011632896_100000211628 [0,2,0,0,0,0|2,0,0]=4 6667 B19R0.13899 CCCCCCCCC(CC)OCC(=O)NCCCC 34a_200011216270_100000182744 [0,2,0,0,0,0|2,0,0]=4 6668 B19R0.13899 CCCCCCCCC(CC)OCC(=O)NCCCC 7a_200011216270_100000182744 [0,2,0,0,0,0|2,0,0]=4 6669 B19R0.13899 CCCCCCCCC(CC)OCC(=O)OCCCC 34a_200011216270_100000211628 [0,2,0,0,0,0|1,0,0]=3 6670 B19R0.13899 CCCCCCCCC(CC)OCC(=O)OCCCC 7a_200011216270_100000211628 [0,2,0,0,0,0|1,0,0]=3 6671 B19R0.13899 CCCCCCCCC(CC)OCC(=O)OCCOC 34a_200011216270_200000040189 [0,2,0,0,0,0|2,0,0]=4 6672 B19R0.13899 CCCCCCCCC(CC)OCC(=O)OCCOC 7a_200011216270_200000040189 [0,2,0,0,0,0|2,0,0]=4 6673 B17R1.1045 CCCOC1CCCCCCCCCCC1=O 34a_100000210258_200009990614 [1,0,0,1,0,0|2,0,0]=4 6674 B17R1.1045 CCCSC1CCCCCCCCCCC1=O 62a_100000210303_200009990614 [1,0,0,1,0,0|2,0,0]=4 6675 B17R1.1045 CCCSC1CCCCCCCCCCC1=O 62a_200009990614_100000210303 [1,0,0,1,0,0|2,0,0]=4 6676 B17R1.1261 CCCCCCCCNC1CCCCNC1=O 2230a_100000229939_100000735217 [1,0,0,1,0,0|2,0,0]=4 6677 B17R1.1261 CCCCCCCCNC1CCCCNC1=O 2230a_100000698827_100000210759 [1,0,0,1,0,0|2,0,0]=4 6678 B17R1.1261 CCCCCCCCNC1CCCCNC1=O 34a_100000698827_100000210759 [1,0,0,1,0,0|2,0,0]=4 6679 B17R1.1261 CCCCCCCCOC1CCCCCC1=O 7a_100000210232_100000243696 [1,0,0,1,0,0|2,0,0]=4 6680 B17R1.1261 CCCCCCCCOC1CCCCNC1=O 7a_100000210232_100000735217 [1,0,0,1,0,0|2,0,0]=4 6681 B17R1.1261 CCCCCCCCSC1CCCCCC1=O 62a_100000210759_100000243696 [1,0,0,1,0,0|2,0,0]=4 6682 B17R1.1261 CCCCCCCCSC1CCCCCC1=O 62a_100000243696_100000210317 [1,0,0,1,0,0|2,0,0]=4 6683 B17R1.1261 CCCCCCCCSC1CCCCNC1=O 62a_100000210759_100000735217 [1,0,0,1,0,0|2,0,0]=4 6684 B17R1.1261 CCCCCCCCSC1CCCCNC1=O 62a_100000735217_100000210317 [1,0,0,1,0,0|2,0,0]=4 6685 B17R1.1308 CCCCCCCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210319 [1,0,0,1,0,0|1,0,1]=4 6686 B17R1.1308 CCCCCCCCCCC(=O)C1CCCC1 1458a_100000210375_100000179811 [1,0,0,1,0,0|1,0,0]=3 6687 B17R1.1308 CCCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100000210319 [1,0,0,1,0,0|1,0,0]=3 6688 B17R1.1308 CCCCCCCCCCC(=O)C1CCCS1 1458a_100012002731_100000210319 [1,0,0,1,0,0|2,0,0]=4 6689 B17R1.1308 CCCCCCCCCCC(=O)C1CCOC1 1458a_100000210375_100000690089 [1,0,0,1,0,0|2,0,0]=4 6690 B17R1.1308 CCCCCCCCCCC(=O)C1CCOC1 1458a_100011219752_100000210319 [1,0,0,1,0,0|2,0,0]=4 6691 B17R1.1308 CCCCCCCCCCC(=O)N1CCCC1 240690a_100000188435_100000210375 [1,0,0,1,0,0|1,0,0]=3 6692 B17R1.1308 CCCCCCCCCCC(=O)N1CCSC1 11a_100011215254_100000210375 [1,0,0,1,0,0|2,0,0]=4 6693 B17R1.1308 CCCCCCCCCCC(=O)N1CCSC1 240690a_100011215254_100000210375 [1,0,0,1,0,0|2,0,0]=4 6694 B17R1.1308 CCCCCCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210319 [1,0,0,1,0,0|2,0,0]=4 6695 B17R1.1308 CCCCCCCCCNC(=O)C1CCCC1 11a_100000212291_100000210718 [1,0,0,1,0,0|2,0,0]=4 6696 B17R1.1308 CCCCCCCCCNC(=O)C1CCCC1 1626a_100000212291_100000210718 [1,0,0,1,0,0|2,0,0]=4 6697 B17R1.1308 CCCCCCCCCNC(=O)C1CCCC1 240690a_100000212291_100000210718 [1,0,0,1,0,0|2,0,0]=4 6698 B17R1.1308 CCCCCCCCCNC(=O)C1CCCC1 527a_100000212291_100000210718 [1,0,0,1,0,0|2,0,0]=4 6699 B17R1.1308 CCCCCCCCCNC(=O)N1CCCC1 2708a_100000212291_100000188435 [1,0,0,1,0,0|2,0,0]=4 6700 B17R1.1308 CCCCCCCCCNC(=O)N1CCCC1 273464a_100000212291_100000188435 [1,0,0,1,0,0|2,0,0]=4 6701 B17R1.1308 CCCCCCCCNCC(=O)N1CCCC1 2230a_100000229939_100000183516 [1,0,0,1,0,0|2,0,0]=4 6702 B17R1.1308 CCCCCCCCNCC(=O)N1CCCC1 2230a_100000751844_100000210759 [1,0,0,1,0,0|2,0,0]=4 6703 B17R1.1308 CCCCCCCCNCC(=O)N1CCCC1 34a_100000229939_100000183516 [1,0,0,1,0,0|2,0,0]=4 6704 B17R1.1308 CCCCCCCCOCC(=O)C1CCCC1 1458a_100000759886_100000179811 [1,0,0,1,0,0|2,0,0]=4 6705 B17R1.1308 CCCCCCCCOCC(=O)N1CCCC1 240690a_100000188435_100000759886 [1,0,0,1,0,0|2,0,0]=4 6706 B17R1.1308 CCCCCCCCOCC(=O)N1CCCC1 34a_100000210232_100000183516 [1,0,0,1,0,0|2,0,0]=4 6707 B17R1.1308 CCCCCCCCOCC(=O)N1CCCC1 527a_100000188435_100000759886 [1,0,0,1,0,0|2,0,0]=4 6708 B17R1.1308 CCCCCCCCOCC(=O)N1CCCC1 7a_100000210232_100000183516 [1,0,0,1,0,0|2,0,0]=4 6709 B17R1.1308 CCCCCCCCOCC(=O)N1CCCC1 7a_200000752455_100000210759 [1,0,0,1,0,0|2,0,0]=4 6710 B17R1.1308 CCCCCCCCSCC(=O)N1CCCC1 62a_100000183516_100000210317 [1,0,0,1,0,0|2,0,0]=4 6711 B17R1.1308 CCCCCCCCSCC(=O)N1CCCC1 62a_100000210759_100000183516 [1,0,0,1,0,0|2,0,0]=4 6712 B17R1.1308 CCCCCCCNCCC(=O)N1CCCC1 2230a_100000229938_100011194422 [1,0,0,1,0,0|2,0,0]=4 6713 B17R1.1308 CCCCCCCOCCC(=O)N1CCCC1 34a_100000210272_100011194422 [1,0,0,1,0,0|2,0,0]=4 6714 B17R1.1308 CCCCCCCOCCC(=O)N1CCCC1 7a_100000210272_100011194422 [1,0,0,1,0,0|2,0,0]=4 6715 B17R1.1308 CCCCCCCSCCC(=O)N1CCCC1 62a_100000210614_100011194422 [1,0,0,1,0,0|2,0,0]=4 6716 B17R1.1308 CCCCCCCSCCC(=O)N1CCCC1 62a_100011194422_100000210316 [1,0,0,1,0,0|2,0,0]=4 6717 B17R1.1308 O=C(CCCCCCCCCF)C1CCCC1 1458a_200009909015_100000179811 [1,0,0,1,0,0|2,0,0]=4 6718 B17R1.1308 O=C(CCCCCCCCCF)N1CCCC1 240690a_100000188435_200009909015 [1,0,0,1,0,0|2,0,0]=4 6719 B17R1.1308 O=C(CCCCCCCCCF)N1CCCC1 527a_100000188435_200009909015 [1,0,0,1,0,0|2,0,0]=4 6720 B17R1.1308 O=C(CCCCCCCCCO)C1CCCC1 1458a_100000210718_100009813782 [1,0,0,1,0,0|2,0,0]=4 6721 B17R1.1308 O=C(CCCCCCCCCO)N1CCCC1 240690a_100000188435_100000032657 [1,0,0,1,0,0|2,0,0]=4 6722 B17R1.1843 CCC1CCCCC1OCC(=O)OCCOC 34a_100000210738_200000040189 [1,0,0,1,0,0|2,0,0]=4 6723 B17R1.1843 CCC1CCCCC1OCC(=O)OCCOC 7a_100000210738_200000040189 [1,0,0,1,0,0|2,0,0]=4 6724 B17R1.1843 CCCCCC(=O)COC1CCCCC1CC 34a_100000210738_200012276598 [1,0,0,1,0,0|2,0,0]=4 6725 B17R1.1843 CCCCCC(=O)COC1CCCCC1CC 7a_100000210738_200012276598 [1,0,0,1,0,0|2,0,0]=4 6726 B17R1.1843 CCCCNC(=O)COC1CCCCC1CC 34a_100000210738_100000182744 [1,0,0,1,0,0|2,0,0]=4 6727 B17R1.1843 CCCCNC(=O)COC1CCCCC1CC 7a_100000210738_100000182744 [1,0,0,1,0,0|2,0,0]=4 6728 B17R1.1843 CCCCOC(=O)CNC1CCCCC1OC 34a_100011208099_100000211628 [1,0,0,1,0,0|2,0,0]=4 6729 B17R1.1843 CCCCOC(=O)COC1CCCCC1CC 34a_100000210738_100000211628 [1,0,0,1,0,0|1,0,0]=3 6730 B17R1.1843 CCCCOC(=O)COC1CCCCC1CC 7a_100000210738_100000211628 [1,0,0,1,0,0|1,0,0]=3 6731 B17R1.1843 CCCCOC(=O)COC1CCCCC1CN 34a_100011216029_100000211628 [1,0,0,1,0,0|2,0,0]=4 6732 B17R1.1843 CCCCOC(=O)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000211628 [1,0,0,1,0,0|2,0,0]=4 6733 B17R1.1843 CCCCOC(=O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000211628 [1,0,0,1,0,0|2,0,0]=4 6734 B17R1.1843 CCCCOC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000211628 [1,0,0,1,0,0|2,0,0]=4 6735 B17R1.1854 CCCCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000210326 [1,0,0,1,0,0|1,0,0]=3 6736 B17R1.1854 CCCCCC(=O)CCCCN1CCCCC1 1458a_100000754417_100000210326 [1,0,0,1,0,0|2,0,0]=4 6737 B17R1.1854 CCCCCC(=O)CNCCC1CCCCC1 2230a_100000738074_200012276598 [1,0,0,1,0,0|2,0,0]=4 6738 B17R1.1854 CCCCCC(=O)CNCCC1CCCCC1 34a_100000738074_200012276598 [1,0,0,1,0,0|2,0,0]=4 6739 B17R1.1854 CCCCCC(=O)COCCC1CCCCC1 34a_100011217863_200012276598 [1,0,0,1,0,0|2,0,0]=4 6740 B17R1.1854 CCCCCC(=O)COCCC1CCCCC1 7a_100011217863_200012276598 [1,0,0,1,0,0|2,0,0]=4 6741 B17R1.1854 CCCCCC(=O)CSCCC1CCCCC1 62a_100012355289_200012276598 [1,0,0,1,0,0|2,0,0]=4 6742 B17R1.1854 CCCCCC(=O)CSCCC1CCCCC1 62a_200012276598_100012355289 [1,0,0,1,0,0|2,0,0]=4 6743 B17R1.1854 CCCCCC(=O)NCCCC1CCCCC1 11a_100011211642_100000212188 [1,0,0,1,0,0|2,0,0]=4 6744 B17R1.1854 CCCCCC(=O)NCCCC1CCCCC1 1626a_100011211642_100000212188 [1,0,0,1,0,0|2,0,0]=4 6745 B17R1.1854 CCCCCC(=O)NCCCC1CCCCC1 240690a_100011211642_100000212188 [1,0,0,1,0,0|2,0,0]=4 6746 B17R1.1854 CCCCCC(=O)NCCCC1CCCCC1 527a_100011211642_100000212188 [1,0,0,1,0,0|2,0,0]=4 6747 B17R1.1854 CCCCNC(=O)CCCCC1CCCCC1 11a_100000102301_200011215547 [1,0,0,1,0,0|1,0,0]=3 6748 B17R1.1854 CCCCNC(=O)CCCCC1CCCCC1 1626a_100000102301_200011215547 [1,0,0,1,0,0|1,0,0]=3 6749 B17R1.1854 CCCCNC(=O)CCCCC1CCCCC1 240690a_100000102301_200011215547 [1,0,0,1,0,0|1,0,0]=3 6750 B17R1.1854 CCCCNC(=O)CCCCC1CCCCC1 527a_100000102301_200011215547 [1,0,0,1,0,0|1,0,0]=3 6751 B17R1.1854 CCCCNC(=O)CCCCN1CCCCC1 11a_100000102301_100000754417 [1,0,0,1,0,0|2,0,0]=4 6752 B17R1.1854 CCCCNC(=O)CCCCN1CCCCC1 240690a_100000102301_100000754417 [1,0,0,1,0,0|2,0,0]=4 6753 B17R1.1854 CCCCNC(=O)CNCCC1CCCCC1 2230a_100000738074_100000182744 [1,0,0,1,0,0|2,0,0]=4 6754 B17R1.1854 CCCCNC(=O)CNCCC1CCCCC1 34a_100000738074_100000182744 [1,0,0,1,0,0|2,0,0]=4 6755 B17R1.1854 CCCCNC(=O)COCCC1CCCCC1 34a_100011217863_100000182744 [1,0,0,1,0,0|2,0,0]=4 6756 B17R1.1854 CCCCNC(=O)COCCC1CCCCC1 7a_100011217863_100000182744 [1,0,0,1,0,0|2,0,0]=4 6757 B17R1.1854 CCCCNC(=O)CSCCC1CCCCC1 62a_100000182744_100012355289 [1,0,0,1,0,0|2,0,0]=4 6758 B17R1.1854 CCCCNC(=O)CSCCC1CCCCC1 62a_100012355289_100000182744 [1,0,0,1,0,0|2,0,0]=4 6759 B17R1.1854 CCCCNC(=O)NCCCC1CCCCC1 2708a_100000102301_100011211642 [1,0,0,1,0,0|2,0,0]=4 6760 B17R1.1854 CCCCNC(=O)NCCCC1CCCCC1 2708a_100011211642_100000102301 [1,0,0,1,0,0|2,0,0]=4 6761 B17R1.1854 CCCCNC(=O)NCCCC1CCCCC1 273464a_100000102301_100011211642 [1,0,0,1,0,0|2,0,0]=4 6762 B17R1.1854 CCCCNC(=O)NCCCC1CCCCC1 273464a_100011211642_100000102301 [1,0,0,1,0,0|2,0,0]=4 6763 B17R1.1854 CCCCNC(=O)NCCCC1CCCCC1 512a_100000102301_100011211642 [1,0,0,1,0,0|2,0,0]=4 6764 B17R1.1854 CCCCNC(=O)NCCCC1CCCCC1 512a_100011211642_100000102301 [1,0,0,1,0,0|2,0,0]=4 6765 B17R1.1854 CCCCOC(=O)CNCCC1CCCCC1 2230a_100000738074_100000211628 [1,0,0,1,0,0|1,0,0]=3 6766 B17R1.1854 CCCCOC(=O)CNCCC1CCCCC1 34a_100000738074_100000211628 [1,0,0,1,0,0|1,0,0]=3 6767 B17R1.1854 CCCCOC(=O)CNCCC1CCCCO1 2230a_100015183643_100000211628 [1,0,0,1,0,0|2,0,0]=4 6768 B17R1.1854 CCCCOC(=O)CNCCC1CCCCO1 34a_100015183643_100000211628 [1,0,0,1,0,0|2,0,0]=4 6769 B17R1.1854 CCCCOC(=O)CNCCC1CCOCC1 2230a_100000755988_100000211628 [1,0,0,1,0,0|2,0,0]=4 6770 B17R1.1854 CCCCOC(=O)CNCCC1CCOCC1 34a_100000755988_100000211628 [1,0,0,1,0,0|2,0,0]=4 6771 B17R1.1854 CCCCOC(=O)COCCC1CCCCC1 34a_100011217863_100000211628 [1,0,0,1,0,0|1,0,0]=3 6772 B17R1.1854 CCCCOC(=O)COCCC1CCCCC1 7a_100011217863_100000211628 [1,0,0,1,0,0|1,0,0]=3 6773 B17R1.1854 CCCCOC(=O)COCCC1CCCCN1 34a_100000211664_100000211628 [1,0,0,1,0,0|2,0,0]=4 6774 B17R1.1854 CCCCOC(=O)COCCC1CCCNC1 34a_100000752241_100000211628 [1,0,0,1,0,0|2,0,0]=4 6775 B17R1.1854 CCCCOC(=O)COCCC1CCNCC1 34a_100015190746_100000211628 [1,0,0,1,0,0|2,0,0]=4 6776 B17R1.1854 CCCCOC(=O)COCCC1CCOCC1 34a_100011933979_100000211628 [1,0,0,1,0,0|2,0,0]=4 6777 B17R1.1854 CCCCOC(=O)COCCC1CCOCC1 7a_100011933979_100000211628 [1,0,0,1,0,0|2,0,0]=4 6778 B17R1.1854 CCCCOC(=O)CSCCC1CCCCC1 62a_100000211628_100012355289 [1,0,0,1,0,0|1,0,0]=3 6779 B17R1.1854 CCCCOC(=O)CSCCC1CCCCC1 62a_100012355289_100000211628 [1,0,0,1,0,0|1,0,0]=3 6780 B17R1.1854 CCCCOC(=O)CSCCC1CCOCC1 62a_100000211628_100011934994 [1,0,0,1,0,0|2,0,0]=4 6781 B17R1.1854 CCCCOC(=O)CSCCC1CCOCC1 62a_100011934994_100000211628 [1,0,0,1,0,0|2,0,0]=4 6782 B17R1.1854 CCCCOC(=O)CSCCN1CCCCC1 62a_100000211628_100000739454 [1,0,0,1,0,0|2,0,0]=4 6783 B17R1.1854 CCCCOC(=O)CSCCN1CCCCC1 62a_100000739454_100000211628 [1,0,0,1,0,0|2,0,0]=4 6784 B17R1.1854 CCCCOC(=O)CSCOC1CCCCC1 62a_100000211628_100011935260 [1,0,0,1,0,0|2,0,0]=4 6785 B17R1.1854 CCCCOC(=O)CSCOC1CCCCC1 62a_100011935260_100000211628 [1,0,0,1,0,0|2,0,0]=4 6786 B17R1.1854 CCCNNC(=O)CCCCC1CCCCC1 22a_100000740057_200011215547 [1,0,0,1,0,0|2,0,0]=4 6787 B17R1.1854 CCOCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100011215890 [1,0,0,1,0,0|2,0,0]=4 6788 B17R1.1854 CCSCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000757381 [1,0,0,1,0,0|2,0,0]=4 6789 B17R1.1854 COCCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000740836 [1,0,0,1,0,0|2,0,0]=4 6790 B17R1.1854 COCCNC(=O)CCCCC1CCCCC1 1626a_100000209980_200011215547 [1,0,0,1,0,0|2,0,0]=4 6791 B17R1.1854 COCCNC(=O)CCCCC1CCCCC1 240690a_100000209980_200011215547 [1,0,0,1,0,0|2,0,0]=4 6792 B17R1.1854 COCCNC(=O)CCCCC1CCCCC1 527a_100000209980_200011215547 [1,0,0,1,0,0|2,0,0]=4 6793 B17R1.1854 COCCOC(=O)CNCCC1CCCCC1 2230a_100000738074_200000040189 [1,0,0,1,0,0|2,0,0]=4 6794 B17R1.1854 COCCOC(=O)CNCCC1CCCCC1 34a_100000738074_200000040189 [1,0,0,1,0,0|2,0,0]=4 6795 B17R1.1854 COCCOC(=O)COCCC1CCCCC1 34a_100011217863_200000040189 [1,0,0,1,0,0|2,0,0]=4 6796 B17R1.1854 COCCOC(=O)COCCC1CCCCC1 7a_100011217863_200000040189 [1,0,0,1,0,0|2,0,0]=4 6797 B17R1.1854 COCCOC(=O)CSCCC1CCCCC1 62a_100012355289_200000040189 [1,0,0,1,0,0|2,0,0]=4 6798 B17R1.1854 COCCOC(=O)CSCCC1CCCCC1 62a_200000040189_100012355289 [1,0,0,1,0,0|2,0,0]=4 6799 B17R1.1854 CSCCNC(=O)CCCCC1CCCCC1 11a_100020590264_200011215547 [1,0,0,1,0,0|2,0,0]=4 6800 B17R1.1854 CSCCNC(=O)CCCCC1CCCCC1 1626a_100020590264_200011215547 [1,0,0,1,0,0|2,0,0]=4 6801 B17R1.1854 CSCCNC(=O)CCCCC1CCCCC1 240690a_100020590264_200011215547 [1,0,0,1,0,0|2,0,0]=4 6802 B17R1.1854 CSCCNC(=O)CCCCC1CCCCC1 527a_100020590264_200011215547 [1,0,0,1,0,0|2,0,0]=4 6803 B17R1.1854 O=C(CCCCC1CCCCC1)NCCCF 11a_100015189416_200011215547 [1,0,0,1,0,0|2,0,0]=4 6804 B17R1.1854 O=C(CCCCC1CCCCC1)NCCCF 1626a_100015189416_200011215547 [1,0,0,1,0,0|2,0,0]=4 6805 B17R1.1854 O=C(CCCCC1CCCCC1)NCCCF 240690a_100015189416_200011215547 [1,0,0,1,0,0|2,0,0]=4 6806 B17R1.1854 O=C(CCCCC1CCCCC1)NCCCF 527a_100015189416_200011215547 [1,0,0,1,0,0|2,0,0]=4 6807 B17R1.1854 O=C(CCCCC1CCCCC1)NCCCO 240690a_100000182051_200011215547 [1,0,0,1,0,0|2,0,0]=4 6808 B17R1.1854 O=C(CCCCC1CCCCC1)NCCCO 527a_100000182051_200011215547 [1,0,0,1,0,0|2,0,0]=4 6809 B17R1.1854 O=C(CCCCF)CCCCC1CCCCC1 1458a_200011215547_100000729493 [1,0,0,1,0,0|2,0,0]=4 6810 B17R1.1854 O=C(CCCCO)CCCCC1CCCCC1 1458a_200011215547_100000210776 [1,0,0,1,0,0|2,0,0]=4 6811 B17R1.1873 CCCCCC(=O)CNCCCC1CCCC1 2230a_100000736752_200012276598 [1,0,0,1,0,0|2,0,0]=4 6812 B17R1.1873 CCCCCC(=O)CNCCCC1CCCC1 34a_100000736752_200012276598 [1,0,0,1,0,0|2,0,0]=4 6813 B17R1.1873 CCCCCC(=O)COCCCC1CCCC1 34a_100011215328_200012276598 [1,0,0,1,0,0|2,0,0]=4 6814 B17R1.1873 CCCCCC(=O)COCCCC1CCCC1 7a_100011215328_200012276598 [1,0,0,1,0,0|2,0,0]=4 6815 B17R1.1873 CCCCCC(=O)CSCCCC1CCCC1 62a_100011713738_200012276598 [1,0,0,1,0,0|2,0,0]=4 6816 B17R1.1873 CCCCCC(=O)CSCCCC1CCCC1 62a_200012276598_100011713738 [1,0,0,1,0,0|2,0,0]=4 6817 B17R1.1873 CCCCNC(=O)CNCCCC1CCCC1 2230a_100000736752_100000182744 [1,0,0,1,0,0|2,0,0]=4 6818 B17R1.1873 CCCCNC(=O)CNCCCC1CCCC1 34a_100000736752_100000182744 [1,0,0,1,0,0|2,0,0]=4 6819 B17R1.1873 CCCCNC(=O)COCCCC1CCCC1 34a_100011215328_100000182744 [1,0,0,1,0,0|2,0,0]=4 6820 B17R1.1873 CCCCNC(=O)COCCCC1CCCC1 7a_100011215328_100000182744 [1,0,0,1,0,0|2,0,0]=4 6821 B17R1.1873 CCCCNC(=O)CSCCCC1CCCC1 62a_100000182744_100011713738 [1,0,0,1,0,0|2,0,0]=4 6822 B17R1.1873 CCCCNC(=O)CSCCCC1CCCC1 62a_100011713738_100000182744 [1,0,0,1,0,0|2,0,0]=4 6823 B17R1.1873 CCCCOC(=O)CNCCCC1CCCC1 2230a_100000736752_100000211628 [1,0,0,1,0,0|1,0,0]=3 6824 B17R1.1873 CCCCOC(=O)CNCCCC1CCCC1 34a_100000736752_100000211628 [1,0,0,1,0,0|1,0,0]=3 6825 B17R1.1873 CCCCOC(=O)CNCCOC1CCCC1 34a_100000741755_100000211628 [1,0,0,1,0,0|2,0,0]=4 6826 B17R1.1873 CCCCOC(=O)COCCCC1CCCC1 34a_100011215328_100000211628 [1,0,0,1,0,0|1,0,0]=3 6827 B17R1.1873 CCCCOC(=O)COCCCC1CCCC1 7a_100011215328_100000211628 [1,0,0,1,0,0|1,0,0]=3 6828 B17R1.1873 CCCCOC(=O)COCCNC1CCCC1 34a_200000200444_100000211628 [1,0,0,1,0,0|2,0,0]=4 6829 B17R1.1873 CCCCOC(=O)COCCOC1CCCC1 34a_100000738311_100000211628 [1,0,0,1,0,0|2,0,0]=4 6830 B17R1.1873 CCCCOC(=O)COCCOC1CCCC1 7a_100000738311_100000211628 [1,0,0,1,0,0|2,0,0]=4 6831 B17R1.1873 CCCCOC(=O)CSCCCC1CCCC1 62a_100000211628_100011713738 [1,0,0,1,0,0|1,0,0]=3 6832 B17R1.1873 CCCCOC(=O)CSCCCC1CCCC1 62a_100011713738_100000211628 [1,0,0,1,0,0|1,0,0]=3 6833 B17R1.1873 CCCCOC(=O)CSCCCN1CCCC1 62a_100000211628_100011445909 [1,0,0,1,0,0|2,0,0]=4 6834 B17R1.1873 CCCCOC(=O)CSCCCN1CCCC1 62a_100016991639_100000211628 [1,0,0,1,0,0|2,0,0]=4 6835 B17R1.1873 COCCOC(=O)CNCCCC1CCCC1 2230a_100000736752_200000040189 [1,0,0,1,0,0|2,0,0]=4 6836 B17R1.1873 COCCOC(=O)CNCCCC1CCCC1 34a_100000736752_200000040189 [1,0,0,1,0,0|2,0,0]=4 6837 B17R1.1873 COCCOC(=O)COCCCC1CCCC1 34a_100011215328_200000040189 [1,0,0,1,0,0|2,0,0]=4 6838 B17R1.1873 COCCOC(=O)COCCCC1CCCC1 7a_100011215328_200000040189 [1,0,0,1,0,0|2,0,0]=4 6839 B17R1.1873 COCCOC(=O)CSCCCC1CCCC1 62a_100011713738_200000040189 [1,0,0,1,0,0|2,0,0]=4 6840 B17R1.1873 COCCOC(=O)CSCCCC1CCCC1 62a_200000040189_100011713738 [1,0,0,1,0,0|2,0,0]=4 6841 B17R1.1884 CCCCOC(=O)CNCC1CCCN1CC 2230a_100000211693_100000211628 [1,0,0,1,0,0|2,0,0]=4 6842 B17R1.1884 CCCCOC(=O)COC[C@H]1CCCN1CC 34a_100011739246_100000211628 [1,0,0,1,0,0|2,0,0]=4 6843 B17R1.1884 CCCCOC(=O)COC[C@H]1CCCN1CC 7a_100011739246_100000211628 [1,0,0,1,0,0|2,0,0]=4 6844 B17R1.3300 CCCCCC(=O)CCN1CCCCCCC1 1458a_200015187237_100000210326 [1,0,0,1,0,0|2,0,0]=4 6845 B17R1.3300 CCCCCC(=O)CNC1CCCCCCC1 2230a_100000211152_200012276598 [1,0,0,1,0,0|2,0,0]=4 6846 B17R1.3300 CCCCCC(=O)CNC1CCCCCCC1 34a_100000211152_200012276598 [1,0,0,1,0,0|2,0,0]=4 6847 B17R1.3300 CCCCCC(=O)COC1CCCCCCC1 34a_100000210054_200012276598 [1,0,0,1,0,0|2,0,0]=4 6848 B17R1.3300 CCCCCC(=O)COC1CCCCCCC1 7a_100000210054_200012276598 [1,0,0,1,0,0|2,0,0]=4 6849 B17R1.3300 CCCCNC(=O)CCN1CCCCCCC1 240690a_100000102301_200015187237 [1,0,0,1,0,0|2,0,0]=4 6850 B17R1.3300 CCCCNC(=O)CNC1CCCCCCC1 2230a_100000211152_100000182744 [1,0,0,1,0,0|2,0,0]=4 6851 B17R1.3300 CCCCNC(=O)CNC1CCCCCCC1 34a_100000211152_100000182744 [1,0,0,1,0,0|2,0,0]=4 6852 B17R1.3300 CCCCNC(=O)COC1CCCCCCC1 34a_100000210054_100000182744 [1,0,0,1,0,0|2,0,0]=4 6853 B17R1.3300 CCCCNC(=O)COC1CCCCCCC1 7a_100000210054_100000182744 [1,0,0,1,0,0|2,0,0]=4 6854 B17R1.3300 CCCCOC(=O)CNC1CCCCCCC1 2230a_100000211152_100000211628 [1,0,0,1,0,0|1,0,0]=3 6855 B17R1.3300 CCCCOC(=O)CNC1CCCCCCC1 34a_100000211152_100000211628 [1,0,0,1,0,0|1,0,0]=3 6856 B17R1.3300 CCCCOC(=O)COC1CCCCCCC1 34a_100000210054_100000211628 [1,0,0,1,0,0|1,0,0]=3 6857 B17R1.3300 CCCCOC(=O)COC1CCCCCCC1 7a_100000210054_100000211628 [1,0,0,1,0,0|1,0,0]=3 6858 B17R1.3300 COCCOC(=O)CNC1CCCCCCC1 2230a_100000211152_200000040189 [1,0,0,1,0,0|2,0,0]=4 6859 B17R1.3300 COCCOC(=O)CNC1CCCCCCC1 34a_100000211152_200000040189 [1,0,0,1,0,0|2,0,0]=4 6860 B17R1.3300 COCCOC(=O)COC1CCCCCCC1 34a_100000210054_200000040189 [1,0,0,1,0,0|2,0,0]=4 6861 B17R1.3300 COCCOC(=O)COC1CCCCCCC1 7a_100000210054_200000040189 [1,0,0,1,0,0|2,0,0]=4 6862 B17R1.3499 CCCCCC(=O)CNCC1CCCCCC1 2230a_100015204231_200012276598 [1,0,0,1,0,0|2,0,0]=4 6863 B17R1.3499 CCCCCC(=O)CNCC1CCCCCC1 34a_100015204231_200012276598 [1,0,0,1,0,0|2,0,0]=4 6864 B17R1.3499 CCCCCC(=O)COCC1CCCCCC1 34a_100000699130_200012276598 [1,0,0,1,0,0|2,0,0]=4 6865 B17R1.3499 CCCCCC(=O)COCC1CCCCCC1 7a_100000699130_200012276598 [1,0,0,1,0,0|2,0,0]=4 6866 B17R1.3499 CCCCCC(=O)CSCC1CCCCCC1 62a_200000696569_200012276598 [1,0,0,1,0,0|2,0,0]=4 6867 B17R1.3499 CCCCCC(=O)CSCC1CCCCCC1 62a_200012276598_200000696569 [1,0,0,1,0,0|2,0,0]=4 6868 B17R1.3499 CCCCCC(=O)NCCC1CCCCCC1 11a_100011532351_100000212188 [1,0,0,1,0,0|2,0,0]=4 6869 B17R1.3499 CCCCCC(=O)NCCC1CCCCCC1 1626a_100011532351_100000212188 [1,0,0,1,0,0|2,0,0]=4 6870 B17R1.3499 CCCCCC(=O)NCCC1CCCCCC1 240690a_100011532351_100000212188 [1,0,0,1,0,0|2,0,0]=4 6871 B17R1.3499 CCCCCC(=O)NCCC1CCCCCC1 527a_100011532351_100000212188 [1,0,0,1,0,0|2,0,0]=4 6872 B17R1.3499 CCCCNC(=O)CNCC1CCCCCC1 2230a_100015204231_100000182744 [1,0,0,1,0,0|2,0,0]=4 6873 B17R1.3499 CCCCNC(=O)CNCC1CCCCCC1 34a_100015204231_100000182744 [1,0,0,1,0,0|2,0,0]=4 6874 B17R1.3499 CCCCNC(=O)COCC1CCCCCC1 34a_100000699130_100000182744 [1,0,0,1,0,0|2,0,0]=4 6875 B17R1.3499 CCCCNC(=O)COCC1CCCCCC1 7a_100000699130_100000182744 [1,0,0,1,0,0|2,0,0]=4 6876 B17R1.3499 CCCCNC(=O)CSCC1CCCCCC1 62a_100000182744_200000696569 [1,0,0,1,0,0|2,0,0]=4 6877 B17R1.3499 CCCCNC(=O)CSCC1CCCCCC1 62a_200000696569_100000182744 [1,0,0,1,0,0|2,0,0]=4 6878 B17R1.3499 CCCCNC(=O)NCCC1CCCCCC1 2708a_100000102301_100011532351 [1,0,0,1,0,0|2,0,0]=4 6879 B17R1.3499 CCCCNC(=O)NCCC1CCCCCC1 2708a_100011532351_100000102301 [1,0,0,1,0,0|2,0,0]=4 6880 B17R1.3499 CCCCNC(=O)NCCC1CCCCCC1 273464a_100000102301_100011532351 [1,0,0,1,0,0|2,0,0]=4 6881 B17R1.3499 CCCCNC(=O)NCCC1CCCCCC1 273464a_100011532351_100000102301 [1,0,0,1,0,0|2,0,0]=4 6882 B17R1.3499 CCCCNC(=O)NCCC1CCCCCC1 512a_100000102301_100011532351 [1,0,0,1,0,0|2,0,0]=4 6883 B17R1.3499 CCCCOC(=O)CNCC1CCCCCC1 2230a_100015204231_100000211628 [1,0,0,1,0,0|1,0,0]=3 6884 B17R1.3499 CCCCOC(=O)CNCC1CCCCCC1 34a_100015204231_100000211628 [1,0,0,1,0,0|1,0,0]=3 6885 B17R1.3499 CCCCOC(=O)COCC1CCCCCC1 34a_100000699130_100000211628 [1,0,0,1,0,0|1,0,0]=3 6886 B17R1.3499 CCCCOC(=O)COCC1CCCCCC1 7a_100000699130_100000211628 [1,0,0,1,0,0|1,0,0]=3 6887 B17R1.3499 CCCCOC(=O)CSCC1CCCCCC1 62a_100000211628_200000696569 [1,0,0,1,0,0|1,0,0]=3 6888 B17R1.3499 CCCCOC(=O)CSCC1CCCCCC1 62a_200000696569_100000211628 [1,0,0,1,0,0|1,0,0]=3 6889 B17R1.3499 COCCOC(=O)CNCC1CCCCCC1 2230a_100015204231_200000040189 [1,0,0,1,0,0|2,0,0]=4 6890 B17R1.3499 COCCOC(=O)CNCC1CCCCCC1 34a_100015204231_200000040189 [1,0,0,1,0,0|2,0,0]=4 6891 B17R1.3499 COCCOC(=O)COCC1CCCCCC1 34a_100000699130_200000040189 [1,0,0,1,0,0|2,0,0]=4 6892 B17R1.3499 COCCOC(=O)COCC1CCCCCC1 7a_100000699130_200000040189 [1,0,0,1,0,0|2,0,0]=4 6893 B17R1.3499 COCCOC(=O)CSCC1CCCCCC1 62a_200000040189_200000696569 [1,0,0,1,0,0|2,0,0]=4 6894 B17R1.3499 COCCOC(=O)CSCC1CCCCCC1 62a_200000696569_200000040189 [1,0,0,1,0,0|2,0,0]=4 6895 B17R1.3711 CCCC1CCCCN1CC(=O)OCCOC 2230a_100000701414_200000040189 [1,0,0,1,0,0|2,0,0]=4 6896 B17R1.3711 CCCC1CCCCN1CC(=O)OCCOC 269982a_100000701414_200000040189 [1,0,0,1,0,0|2,0,0]=4 6897 B17R1.3711 CCCC1CCCCN1CC(=O)OCCOC 34a_100000701414_200000040189 [1,0,0,1,0,0|2,0,0]=4 6898 B17R1.3711 CCCCCC(=O)CN1CCCCC1CCC 2230a_100000701414_200012276598 [1,0,0,1,0,0|2,0,0]=4 6899 B17R1.3711 CCCCCC(=O)CN1CCCCC1CCC 269982a_100000701414_200012276598 [1,0,0,1,0,0|2,0,0]=4 6900 B17R1.3711 CCCCCC(=O)CN1CCCCC1CCC 34a_100000701414_200012276598 [1,0,0,1,0,0|2,0,0]=4 6901 B17R1.3711 CCCCNC(=O)CN1CCCCC1CCC 2230a_100000701414_100000182744 [1,0,0,1,0,0|2,0,0]=4 6902 B17R1.3711 CCCCNC(=O)CN1CCCCC1CCC 269982a_100000701414_100000182744 [1,0,0,1,0,0|2,0,0]=4 6903 B17R1.3711 CCCCNC(=O)CN1CCCCC1CCC 34a_100000701414_100000182744 [1,0,0,1,0,0|2,0,0]=4 6904 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCC 2230a_100000701414_100000211628 [1,0,0,1,0,0|1,0,0]=3 6905 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCC 269982a_100000701414_100000211628 [1,0,0,1,0,0|1,0,0]=3 6906 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCC 34a_100000701414_100000211628 [1,0,0,1,0,0|1,0,0]=3 6907 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCO 2230a_100000211664_100000211628 [1,0,0,1,0,0|2,0,0]=4 6908 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCO 269982a_100000211664_100000211628 [1,0,0,1,0,0|2,0,0]=4 6909 B17R1.3711 CCCCOC(=O)CN1CCCCC1CCO 34a_100000211664_100000211628 [1,0,0,1,0,0|2,0,0]=4 6910 B17R1.3711 CCCCOC(=O)CN1CCCCC1COC 2230a_100015184032_100000211628 [1,0,0,1,0,0|2,0,0]=4 6911 B17R1.3711 CCCCOC(=O)CN1CCCCC1COC 269982a_100015184032_100000211628 [1,0,0,1,0,0|2,0,0]=4 6912 B17R1.3711 CCCCOC(=O)CN1CCCCC1COC 34a_100015184032_100000211628 [1,0,0,1,0,0|2,0,0]=4 6913 B17R1.3711 CCCCOC(=O)CN1CCOCC1CCC 2230a_102495339903_100000211628 [1,0,0,1,0,0|2,0,0]=4 6914 B17R1.3711 CCCCOC(=O)CN1CCOCC1CCC 269982a_102495339903_100000211628 [1,0,0,1,0,0|2,0,0]=4 6915 B17R1.3711 CCCCOC(=O)CN1CCOCC1CCC 34a_102495339903_100000211628 [1,0,0,1,0,0|2,0,0]=4 6916 B17R1.3714 CCCCCC(=O)CN1CCCCCCCC1 2230a_100000039187_200012276598 [1,0,0,1,0,0|2,0,0]=4 6917 B17R1.3714 CCCCCC(=O)CN1CCCCCCCC1 269982a_100000039187_200012276598 [1,0,0,1,0,0|2,0,0]=4 6918 B17R1.3714 CCCCCC(=O)CN1CCCCCCCC1 34a_100000039187_200012276598 [1,0,0,1,0,0|2,0,0]=4 6919 B17R1.3714 CCCCNC(=O)CN1CCCCCCCC1 2230a_100000039187_100000182744 [1,0,0,1,0,0|2,0,0]=4 6920 B17R1.3714 CCCCNC(=O)CN1CCCCCCCC1 269982a_100000039187_100000182744 [1,0,0,1,0,0|2,0,0]=4 6921 B17R1.3714 CCCCNC(=O)CN1CCCCCCCC1 34a_100000039187_100000182744 [1,0,0,1,0,0|2,0,0]=4 6922 B17R1.3714 CCCCOC(=O)CN1CCCCCCCC1 2230a_100000039187_100000211628 [1,0,0,1,0,0|1,0,0]=3 6923 B17R1.3714 CCCCOC(=O)CN1CCCCCCCC1 269982a_100000039187_100000211628 [1,0,0,1,0,0|1,0,0]=3 6924 B17R1.3714 CCCCOC(=O)CN1CCCCCCCC1 34a_100000039187_100000211628 [1,0,0,1,0,0|1,0,0]=3 6925 B17R1.3714 COCCOC(=O)CN1CCCCCCCC1 2230a_100000039187_200000040189 [1,0,0,1,0,0|2,0,0]=4 6926 B17R1.3714 COCCOC(=O)CN1CCCCCCCC1 269982a_100000039187_200000040189 [1,0,0,1,0,0|2,0,0]=4 6927 B17R1.3714 COCCOC(=O)CN1CCCCCCCC1 34a_100000039187_200000040189 [1,0,0,1,0,0|2,0,0]=4 6928 B17R1.6340 CCCCOC(=O)COCCC1CCCN1C 34a_100011215177_100000211628 [1,0,0,1,0,0|2,0,0]=4 6929 B17R1.6340 CCCCOC(=O)COCCC1CCCN1C 7a_100011215177_100000211628 [1,0,0,1,0,0|2,0,0]=4 6930 B17R1.6340 CCCCOC(=O)CSCCC1CCCN1C 62a_100000005710_100000211628 [1,0,0,1,0,0|2,0,0]=4 6931 B17R1.6340 CCCCOC(=O)CSCCC1CCCN1C 62a_100000211628_100000005710 [1,0,0,1,0,0|2,0,0]=4 6932 B17R1.6363 CCCCOC1CCCCCCCCCCC1 34a_100000211378_100000210210 [1,0,0,1,0,0|1,0,1]=4 6933 B17R1.6363 CCCCOC1CCCCCCCCCCC1 7a_100000211378_100000210211 [1,0,0,1,0,0|1,0,1]=4 6934 B17R1.8944 CCCCOC(=O)CNCC1CCCCC1O 34a_100011216029_100000211628 [1,0,0,1,0,0|2,0,0]=4 6935 B17R1.8944 CCCCOC(=O)CNCC1CCCCN1C 34a_100011228421_100000211628 [1,0,0,1,0,0|2,0,0]=4 6936 B17R1.8944 CCCCOC(=O)COCC1CCCCN1C 34a_100000225079_100000211628 [1,0,0,1,0,0|2,0,0]=4 6937 B17R1.8944 CCCCOC(=O)CSCC1CCCCN1C 62a_100000211628_100015185383 [1,0,0,1,0,0|2,0,0]=4 6938 B17R1.8944 CCCCOC(=O)CSCC1CCCCN1C 62a_100015185383_100000211628 [1,0,0,1,0,0|2,0,0]=4 6939 B17R1.26143 CCC1CC1C(=O)CCCCCCCCCO 1458a_200011661523_100009813782 [1,0,0,1,0,0|2,0,0]=4 6940 B17R1.26143 CCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100000210319 [1,0,0,1,0,0|1,0,0]=3 6941 B17R1.26143 CCCCCCCCCNC(=O)C1CC1CC 11a_100000212291_200011661523 [1,0,0,1,0,0|2,0,0]=4 6942 B17R1.26143 CCCCCCCCCNC(=O)C1CC1CC 1626a_100000212291_200011661523 [1,0,0,1,0,0|2,0,0]=4 6943 B17R1.26143 CCCCCCCCCNC(=O)C1CC1CC 240690a_100000212291_200011661523 [1,0,0,1,0,0|2,0,0]=4 6944 B17R1.26143 CCCCCCCCCNC(=O)C1CC1CC 527a_100000212291_200011661523 [1,0,0,1,0,0|2,0,0]=4 6945 B17R1.26144 CCCCCCCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210375 [1,0,0,1,0,0|2,0,0]=4 6946 B17R1.26144 CCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210375 [1,0,0,1,0,0|2,0,0]=4 6947 B17R1.26144 CCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210375 [1,0,0,1,0,0|2,0,0]=4 6948 B17R1.26144 CCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210375 [1,0,0,1,0,0|2,0,0]=4 6949 B17R1.26145 CCCCCCCCCCC(=O)C=C1CCC1 1458a_100000686340_100000210319 [1,0,0,1,0,0|1,0,1]=4 6950 B17R1.26145 CCCCCCCCCCC(=O)CC1CCC1 1458a_100000210375_100000763275 [1,0,0,1,0,0|1,0,0]=3 6951 B17R1.26145 CCCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100000210319 [1,0,0,1,0,0|1,0,0]=3 6952 B17R1.26145 CCCCCCCCCCC(=O)CC1CCO1 1458a_100000210375_100000103362 [1,0,0,1,0,0|2,0,0]=4 6953 B17R1.26145 CCCCCCCCCCC(=O)CC1COC1 1458a_100000210375_100010264016 [1,0,0,1,0,0|2,0,0]=4 6954 B17R1.26145 CCCCCCCCCCC(=O)CC1COC1 1458a_100000687760_100000210319 [1,0,0,1,0,0|2,0,0]=4 6955 B17R1.26145 CCCCCCCCCCC(=O)NC1CCC1 11a_100000749019_100000210375 [1,0,0,1,0,0|1,0,0]=3 6956 B17R1.26145 CCCCCCCCCCC(=O)NC1CCC1 1626a_100000749019_100000210375 [1,0,0,1,0,0|1,0,0]=3 6957 B17R1.26145 CCCCCCCCCCC(=O)NC1CCC1 240690a_100000749019_100000210375 [1,0,0,1,0,0|1,0,0]=3 6958 B17R1.26145 CCCCCCCCCCC(=O)NC1COC1 11a_100016991112_100000210375 [1,0,0,1,0,0|2,0,0]=4 6959 B17R1.26145 CCCCCCCCCCC(=O)NC1COC1 1626a_100016991112_100000210375 [1,0,0,1,0,0|2,0,0]=4 6960 B17R1.26145 CCCCCCCCCCC(=O)NC1COC1 240690a_100016991112_100000210375 [1,0,0,1,0,0|2,0,0]=4 6961 B17R1.26145 CCCCCCCCCCC(=O)NC1CSC1 11a_100016994217_100000210375 [1,0,0,1,0,0|2,0,0]=4 6962 B17R1.26145 CCCCCCCCCCC(=O)NC1CSC1 1626a_100016994217_100000210375 [1,0,0,1,0,0|2,0,0]=4 6963 B17R1.26145 CCCCCCCCCCC(=O)NC1CSC1 240690a_100016994217_100000210375 [1,0,0,1,0,0|2,0,0]=4 6964 B17R1.26145 CCCCCCCCCCC(C)OC1CCC1 34a_100011215000_100000749161 [1,0,0,1,0,0|1,0,1]=4 6965 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 11a_100000212291_100000763092 [1,0,0,1,0,0|2,0,0]=4 6966 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 1626a_100000212291_100000763092 [1,0,0,1,0,0|2,0,0]=4 6967 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 240690a_100000212291_100000763092 [1,0,0,1,0,0|2,0,0]=4 6968 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 527a_100000212291_100000763092 [1,0,0,1,0,0|2,0,0]=4 6969 B17R1.26145 CCCCCCCCCNC(=O)NC1CCC1 2708a_100000212291_100000749019 [1,0,0,1,0,0|2,0,0]=4 6970 B17R1.26145 CCCCCCCCCNC(=O)NC1CCC1 273464a_100000212291_100000749019 [1,0,0,1,0,0|2,0,0]=4 6971 B17R1.26145 CCCCCCCCCNC(=O)NC1CCC1 273464a_100000749019_100000212291 [1,0,0,1,0,0|2,0,0]=4 6972 B17R1.26145 CCCCCCCCCNC(=O)NC1CCC1 512a_100000212291_100000749019 [1,0,0,1,0,0|2,0,0]=4 6973 B17R1.26145 CCCCCCCCCNC(=O)NC1CCC1 512a_100000749019_100000212291 [1,0,0,1,0,0|2,0,0]=4 6974 B17R1.26145 CCCCCCCCOCC(=O)CC1CCC1 1458a_100000759886_100000763275 [1,0,0,1,0,0|2,0,0]=4 6975 B17R1.26145 CCCCCCCCOCC(=O)NC1CCC1 11a_100000749019_100000759886 [1,0,0,1,0,0|2,0,0]=4 6976 B17R1.26145 CCCCCCCCOCC(=O)NC1CCC1 1626a_100000749019_100000759886 [1,0,0,1,0,0|2,0,0]=4 6977 B17R1.26145 CCCCCCCCOCC(=O)NC1CCC1 240690a_100000749019_100000759886 [1,0,0,1,0,0|2,0,0]=4 6978 B17R1.26145 CCCCCCCCOCC(=O)NC1CCC1 527a_100000749019_100000759886 [1,0,0,1,0,0|2,0,0]=4 6979 B17R1.26145 O=C(CCCCCCCCCF)CC1CCC1 1458a_200009909015_100000763275 [1,0,0,1,0,0|2,0,0]=4 6980 B17R1.26145 O=C(CCCCCCCCCF)NC1CCC1 11a_100000749019_200009909015 [1,0,0,1,0,0|2,0,0]=4 6981 B17R1.26145 O=C(CCCCCCCCCF)NC1CCC1 240690a_100000749019_200009909015 [1,0,0,1,0,0|2,0,0]=4 6982 B17R1.26145 O=C(CCCCCCCCCF)NC1CCC1 527a_100000749019_200009909015 [1,0,0,1,0,0|2,0,0]=4 6983 B17R1.26145 O=C(CCCCCCCCCO)CC1CCC1 1458a_100000763092_100009813782 [1,0,0,1,0,0|2,0,0]=4 6984 B17R1.26145 O=C(CCCCCCCCCO)NC1CCC1 240690a_100000749019_100000032657 [1,0,0,1,0,0|2,0,0]=4 6985 B17R1.26146 CCCCCCCCCCC(=O)C=CC1CC1 1458a_100102529529_100000210319 [1,0,0,1,0,0|1,0,1]=4 6986 B17R1.26146 CCCCCCCCCCC(=O)CCC1CC1 1458a_100000210375_100000694398 [1,0,0,1,0,0|1,0,0]=3 6987 B17R1.26146 CCCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100000210319 [1,0,0,1,0,0|1,0,0]=3 6988 B17R1.26146 CCCCCCCCCCC(=O)CCC1CO1 1458a_100000210375_100000732470 [1,0,0,1,0,0|2,0,0]=4 6989 B17R1.26146 CCCCCCCCCCC(=O)NCC1CC1 11a_100000735609_100000210375 [1,0,0,1,0,0|1,0,0]=3 6990 B17R1.26146 CCCCCCCCCCC(=O)NCC1CC1 1626a_100000735609_100000210375 [1,0,0,1,0,0|1,0,0]=3 6991 B17R1.26146 CCCCCCCCCCC(=O)NCC1CC1 240690a_100000735609_100000210375 [1,0,0,1,0,0|1,0,0]=3 6992 B17R1.26146 CCCCCCCCCCC(=O)NNC1CC1 22a_100000701032_100000210375 [1,0,0,1,0,0|2,0,0]=4 6993 B17R1.26146 CCCCCCCCCCC(C)OCC1CC1 34a_100011215000_100000742324 [1,0,0,1,0,0|1,0,1]=4 6994 B17R1.26146 CCCCCCCCCCC(C)OCC1CC1 7a_100011215000_100000742324 [1,0,0,1,0,0|1,0,1]=4 6995 B17R1.26146 CCCCCCCCCNC(=O)CCC1CC1 11a_100000212291_100000756386 [1,0,0,1,0,0|2,0,0]=4 6996 B17R1.26146 CCCCCCCCCNC(=O)CCC1CC1 1626a_100000212291_100000756386 [1,0,0,1,0,0|2,0,0]=4 6997 B17R1.26146 CCCCCCCCCNC(=O)CCC1CC1 240690a_100000212291_100000756386 [1,0,0,1,0,0|2,0,0]=4 6998 B17R1.26146 CCCCCCCCCNC(=O)CCC1CC1 527a_100000212291_100000756386 [1,0,0,1,0,0|2,0,0]=4 6999 B17R1.26146 CCCCCCCCCNC(=O)NCC1CC1 2708a_100000212291_100000735609 [1,0,0,1,0,0|2,0,0]=4 7000 B17R1.26146 CCCCCCCCCNC(=O)NCC1CC1 2708a_100000735609_100000212291 [1,0,0,1,0,0|2,0,0]=4 7001 B17R1.26146 CCCCCCCCCNC(=O)NCC1CC1 273464a_100000212291_100000735609 [1,0,0,1,0,0|2,0,0]=4 7002 B17R1.26146 CCCCCCCCCNC(=O)NCC1CC1 273464a_100000735609_100000212291 [1,0,0,1,0,0|2,0,0]=4 7003 B17R1.26146 CCCCCCCCCNC(=O)NCC1CC1 512a_100000212291_100000735609 [1,0,0,1,0,0|2,0,0]=4 7004 B17R1.26146 CCCCCCCCCNC(=O)NCC1CC1 512a_100000735609_100000212291 [1,0,0,1,0,0|2,0,0]=4 7005 B17R1.26146 CCCCCCCCOCC(=O)CCC1CC1 1458a_100000759886_100000694398 [1,0,0,1,0,0|2,0,0]=4 7006 B17R1.26146 CCCCCCCCOCC(=O)NCC1CC1 11a_100000735609_100000759886 [1,0,0,1,0,0|2,0,0]=4 7007 B17R1.26146 CCCCCCCCOCC(=O)NCC1CC1 1626a_100000735609_100000759886 [1,0,0,1,0,0|2,0,0]=4 7008 B17R1.26146 CCCCCCCCOCC(=O)NCC1CC1 240690a_100000735609_100000759886 [1,0,0,1,0,0|2,0,0]=4 7009 B17R1.26146 CCCCCCCCOCC(=O)NCC1CC1 527a_100000735609_100000759886 [1,0,0,1,0,0|2,0,0]=4 7010 B17R1.26146 O=C(CCCCCCCCCF)CCC1CC1 1458a_200009909015_100000694398 [1,0,0,1,0,0|2,0,0]=4 7011 B17R1.26146 O=C(CCCCCCCCCF)NCC1CC1 11a_100000735609_200009909015 [1,0,0,1,0,0|2,0,0]=4 7012 B17R1.26146 O=C(CCCCCCCCCF)NCC1CC1 240690a_100000735609_200009909015 [1,0,0,1,0,0|2,0,0]=4 7013 B17R1.26146 O=C(CCCCCCCCCF)NCC1CC1 527a_100000735609_200009909015 [1,0,0,1,0,0|2,0,0]=4 7014 B17R1.26146 O=C(CCCCCCCCCO)CCC1CC1 1458a_100000756386_100009813782 [1,0,0,1,0,0|2,0,0]=4 7015 B17R1.26146 O=C(CCCCCCCCCO)NCC1CC1 240690a_100000735609_100000032657 [1,0,0,1,0,0|2,0,0]=4 7016 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCF 11a_100000755817_200009909015 [1,0,0,1,0,0|2,0,0]=4 7017 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCF 240690a_100000755817_200009909015 [1,0,0,1,0,0|2,0,0]=4 7018 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCF 527a_100000755817_200009909015 [1,0,0,1,0,0|2,0,0]=4 7019 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCO 240690a_100000755817_100000032657 [1,0,0,1,0,0|2,0,0]=4 7020 B17R1.26147 CCCCCCCCCCC(=O)N1CCC1C 11a_100000755817_100000210375 [1,0,0,1,0,0|1,0,0]=3 7021 B17R1.26147 CCCCCCCCCCC(=O)N1CCC1C 240690a_100000755817_100000210375 [1,0,0,1,0,0|1,0,0]=3 7022 B17R1.26147 CCCCCCCCCNC(=O)N1CCC1C 2708a_100000212291_100000755817 [1,0,0,1,0,0|2,0,0]=4 7023 B17R1.26147 CCCCCCCCCNC(=O)N1CCC1C 273464a_100000212291_100000755817 [1,0,0,1,0,0|2,0,0]=4 7024 B17R1.26147 CCCCCCCCOCC(=O)N1CCC1C 11a_100000755817_100000759886 [1,0,0,1,0,0|2,0,0]=4 7025 B17R1.26147 CCCCCCCCOCC(=O)N1CCC1C 240690a_100000755817_100000759886 [1,0,0,1,0,0|2,0,0]=4 7026 B17R1.26147 CCCCCCCCOCC(=O)N1CCC1C 527a_100000755817_100000759886 [1,0,0,1,0,0|2,0,0]=4 7027 B17R1.315 CCCCCCCCCN1CCOC[C@@H]1CC 2230a_100016988097_100011214924 [1,0,0,1,0,0|1,0,1]=4 7028 B17R1.315 CCCCCCCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210670 [1,0,0,1,0,0|1,0,1]=4 7029 B17R1.315 CCCCCCCCCN1CCOC[C@@H]1CC 34a_100016988097_100011214924 [1,0,0,1,0,0|1,0,1]=4 7030 B17R1.315 CCCCOCCCNC1CCCCC1CC 269862a_200000211371_100000757040 [1,0,0,1,0,0|1,0,1]=4 7031 B17R1.315 CCCCOCCCNC1CCCCC1CC 270004a_200000211371_100000757040 [1,0,0,1,0,0|1,0,1]=4 7032 B17R1.342 CCCCCCC1CCCC1NCCCCC 269862a_100000209983_100000189428 [1,0,0,1,0,0|2,0,0]=4 7033 B17R1.342 CCCCCCC1CCCC1NCCCCC 270004a_100000209983_100000189428 [1,0,0,1,0,0|2,0,0]=4 7034 B17R1.1242 CCCC/C=C/CCCCOC1CCCCC1 34a_200020645093_100000210327 [1,0,0,1,0,0|2,0,0]=4 7035 B17R1.1242 CCCC/C=C/CCCCOC1CCCCC1 7a_200020645093_100000210327 [1,0,0,1,0,0|2,0,0]=4 7036 B17R1.1242 CCCC/C=C/COCCCC1CCCCC1 34a_200016272032_100011713725 [1,0,0,1,0,0|2,0,0]=4 7037 B17R1.1242 CCCC/C=C/COCCCC1CCCCC1 7a_200016272032_100011713725 [1,0,0,1,0,0|2,0,0]=4 7038 B17R1.1242 CCCC/C=C\CCOCCC1CCCCC1 34a_200016286491_100011209188 [1,0,0,1,0,0|2,0,0]=4 7039 B17R1.1242 CCCC/C=C\CCOCCC1CCCCC1 7a_200016286491_100011273959 [1,0,0,1,0,0|2,0,0]=4 7040 B17R1.1242 CCCCCCCCCCOC1CCCCO1 34a_100000033831_100000210320 [1,0,0,1,0,0|1,0,1]=4 7041 B17R1.1242 CCCCCCCCCNCC1CCCCO1 2230a_100000174945_100011214924 [1,0,0,1,0,0|1,0,1]=4 7042 B17R1.1242 CCCCCCCCCNCC1CCCCO1 2230a_100000212291_100000211543 [1,0,0,1,0,0|1,0,1]=4 7043 B17R1.1242 CCCCCCCCCNCC1CCCCO1 34a_100000174945_100011214924 [1,0,0,1,0,0|1,0,1]=4 7044 B17R1.1242 CCCCCCCCCNCC1CCCCO1 34a_100000212291_100000211543 [1,0,0,1,0,0|1,0,1]=4 7045 B17R1.1242 CCCCCCCCCOCC1CCCCO1 34a_100000210712_100000211543 [1,0,0,1,0,0|1,0,1]=4 7046 B17R1.1242 CCCCCCCCCOCC1CCCCO1 34a_100000211370_100011214924 [1,0,0,1,0,0|1,0,1]=4 7047 B17R1.1242 CCCCCCCCCOCC1CCCCO1 7a_100000210712_100000211543 [1,0,0,1,0,0|1,0,1]=4 7048 B17R1.1242 CCCCCCCCCOCC1CCCCO1 7a_100000211370_100000210328 [1,0,0,1,0,0|1,0,1]=4 7049 B17R1.1242 CCCCCCCCCSCC1CCCCO1 62a_100000211543_100000210670 [1,0,0,1,0,0|1,0,1]=4 7050 B17R1.1242 CCCCCCCCNCCC1=CCCCC1 2230a_100000212019_100000210759 [1,0,0,1,0,0|2,0,0]=4 7051 B17R1.1242 CCCCCCCCNCCC1=CCCCC1 34a_100000212019_100000210759 [1,0,0,1,0,0|2,0,0]=4 7052 B17R1.1242 CCCCCCCCNCCC1CCCCO1 2230a_100015183643_100000210759 [1,0,0,1,0,0|1,0,1]=4 7053 B17R1.1242 CCCCCCCCNCCC1CCCCO1 34a_100015183643_100000210759 [1,0,0,1,0,0|1,0,1]=4 7054 B17R1.1242 CCCCOCCCCOCC1CCCCC1 34a_200000760531_100000211423 [1,0,0,1,0,0|1,0,1]=4 7055 B17R1.1242 CCCCOCCCCOCC1CCCCC1 7a_200000760531_100000211423 [1,0,0,1,0,0|1,0,1]=4 7056 B17R1.1242 CCCCOCCCNCCC1CCCCC1 2230a_200000211371_100012355289 [1,0,0,1,0,0|1,0,1]=4 7057 B17R1.1242 CCCCOCCCNCCC1CCCCC1 270004a_200000211371_100011713444 [1,0,0,1,0,0|1,0,1]=4 7058 B17R1.1242 CCCCOCCCNCCC1CCCCC1 34a_200000211371_100011209188 [1,0,0,1,0,0|1,0,1]=4 7059 B17R1.1242 CCCCOCCCOCCC1CCCCC1 34a_200011215613_100011209188 [1,0,0,1,0,0|1,0,1]=4 7060 B17R1.1242 CCCCOCCCOCCC1CCCCC1 7a_200011215613_100011273959 [1,0,0,1,0,0|1,0,1]=4 7061 B17R1.1242 CCCCOCCNCCCC1CCCCC1 2230a_100011211642_100000743108 [1,0,0,1,0,0|1,0,1]=4 7062 B17R1.1242 CCCCOCCNCCCC1CCCCC1 34a_100011211642_100000743108 [1,0,0,1,0,0|1,0,1]=4 7063 B17R1.1242 CCCCOCCOCCCC1CCCCC1 34a_100000198086_100000743108 [1,0,0,1,0,0|1,0,1]=4 7064 B17R1.1242 CCCCOCCOCCCC1CCCCC1 34a_100000210238_100011713725 [1,0,0,1,0,0|1,0,1]=4 7065 B17R1.1242 CCCCOCCOCCCC1CCCCC1 7a_100000198086_100000743108 [1,0,0,1,0,0|1,0,1]=4 7066 B17R1.1242 CCCCOCCOCCCC1CCCCC1 7a_100000210238_100011713725 [1,0,0,1,0,0|1,0,1]=4 7067 B17R1.1242 CCCCOCCSCCCC1CCCCC1 62a_100000743108_100011713725 [1,0,0,1,0,0|1,0,1]=4 7068 B17R1.1242 CCCCOCCSCCCC1CCCCC1 62a_100011713725_100000743108 [1,0,0,1,0,0|1,0,1]=4 7069 B17R1.1242 CCCCOCOCCCCC1CCCCC1 34a_100011215267_100011995733 [1,0,0,1,0,0|1,0,1]=4 7070 B17R1.1425 CCCC/C=C/CCCCOCC1CCCC1 34a_200020645093_100000740388 [1,0,0,1,0,0|2,0,0]=4 7071 B17R1.1425 CCCC/C=C/CCCCOCC1CCCC1 7a_200020645093_100000740388 [1,0,0,1,0,0|2,0,0]=4 7072 B17R1.1425 CCCC/C=C\CCOCCCC1CCCC1 34a_200016286491_100011713738 [1,0,0,1,0,0|2,0,0]=4 7073 B17R1.1425 CCCC/C=C\CCOCCCC1CCCC1 7a_200016286491_100011713738 [1,0,0,1,0,0|2,0,0]=4 7074 B17R1.1425 CCCCCCCCCCCCN1CCCC1 2230a_100000188435_100011215052 [1,0,0,1,0,0|1,0,1]=4 7075 B17R1.1425 CCCCCCCCCCCCN1CCCC1 269982a_100000188435_100000759014 [1,0,0,1,0,0|1,0,1]=4 7076 B17R1.1425 CCCCCCCCCCCCN1CCCC1 270004a_100000188435_100011218549 [1,0,0,1,0,0|1,0,1]=4 7077 B17R1.1425 CCCCCCCCCCCNC1CCCC1 2230a_100000211070_100011215454 [1,0,0,1,0,0|2,0,0]=4 7078 B17R1.1425 CCCCCCCCCCCNC1CCCC1 2230a_200011215754_100000179811 [1,0,0,1,0,0|2,0,0]=4 7079 B17R1.1425 CCCCCCCCCCCNC1CCCC1 270004a_200011215754_100000210133 [1,0,0,1,0,0|2,0,0]=4 7080 B17R1.1425 CCCCCCCCCCCNC1CCCC1 34a_100000211070_100011215454 [1,0,0,1,0,0|2,0,0]=4 7081 B17R1.1425 CCCCCCCCCCCNC1CCCC1 34a_200011215754_100000179811 [1,0,0,1,0,0|2,0,0]=4 7082 B17R1.1425 CCCCCCCCCCCOC1CCCC1 34a_100000210269_100011215454 [1,0,0,1,0,0|2,0,0]=4 7083 B17R1.1425 CCCCCCCCCCCOC1CCCC1 34a_100000210809_100000179811 [1,0,0,1,0,0|2,0,0]=4 7084 B17R1.1425 CCCCCCCCCCCOC1CCCC1 7a_100000210269_100011215454 [1,0,0,1,0,0|2,0,0]=4 7085 B17R1.1425 CCCCCCCCCCCOC1CCCC1 7a_100000210809_100000179811 [1,0,0,1,0,0|2,0,0]=4 7086 B17R1.1425 CCCCOCCCCOCCC1CCCC1 34a_200000760531_100000760354 [1,0,0,1,0,0|1,0,1]=4 7087 B17R1.1425 CCCCOCCCCOCCC1CCCC1 7a_200000760531_100000760354 [1,0,0,1,0,0|1,0,1]=4 7088 B17R1.1425 CCCCOCCCNCCCC1CCCC1 2230a_200000211371_100011713738 [1,0,0,1,0,0|1,0,1]=4 7089 B17R1.1425 CCCCOCCCNCCCC1CCCC1 34a_200000211371_100011713738 [1,0,0,1,0,0|1,0,1]=4 7090 B17R1.1425 CCCCOCCCOCCCC1CCCC1 34a_200011215613_100011713738 [1,0,0,1,0,0|1,0,1]=4 7091 B17R1.1425 CCCCOCCCOCCCC1CCCC1 7a_200011215613_100011713738 [1,0,0,1,0,0|1,0,1]=4 7092 B17R1.4166 CCCCCCCC1CCCC1=NNCCC 4a_100000740057_200011216720 [1,0,0,1,0,0|2,0,0]=4 7093 B17R1.4166 CCCCCCCC1CCCC1NCCCC 269862a_100000102301_200011216720 [1,0,0,1,0,0|1,0,1]=4 7094 B17R1.4166 CCCCCCCC1CCCC1NCCCC 270004a_100000102301_200011216720 [1,0,0,1,0,0|1,0,1]=4 7095 B17R1.5241 CCCCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215454 [1,0,0,1,0,0|2,0,0]=4 7096 B17R1.5241 CCCCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215454 [1,0,0,1,0,0|2,0,0]=4 7097 B17R1.5241 CCCCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011215454 [1,0,0,1,0,0|2,0,0]=4 7098 B17R1.5241 CCCCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011215454 [1,0,0,1,0,0|2,0,0]=4 7099 B17R1.5241 CCCCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100011215454 [1,0,0,1,0,0|2,0,0]=4 7100 B17R1.5249 CCCCCCCCCCCCN1CCC1C 269982a_100000755817_100000759014 [1,0,0,1,0,0|1,0,1]=4 7101 B17R1.5249 CCCCCCCCCCCCN1CCC1C 34a_100000755817_100000759014 [1,0,0,1,0,0|1,0,1]=4 7102 B17R1.7891 CCCCCCCCCCCOCC1CC1C 34a_100000744939_100011215454 [1,0,0,1,0,0|2,0,0]=4 7103 B17R1.7891 CCCCCCCCCCCOCC1CC1C 7a_100000744939_100011215454 [1,0,0,1,0,0|2,0,0]=4 7104 B17R1.7892 BrCCCCCCCCCCCOC1CCC1 34a_100009812471_100000749161 [1,0,0,1,0,0|1,0,1]=4 7105 B17R1.7892 CCCCCCCCCCCCNC1CCC1 2230a_100000749019_100011215052 [1,0,0,1,0,0|1,0,1]=4 7106 B17R1.7892 CCCCCCCCCCCCNC1CCC1 270004a_100000210451_100000241760 [1,0,0,1,0,0|1,0,1]=4 7107 B17R1.7892 CCCCCCCCCCCCNC1CCC1 34a_100000210451_100000749161 [1,0,0,1,0,0|1,0,1]=4 7108 B17R1.7892 CCCCCCCCCCCCNC1CCC1 34a_100000749019_100000759014 [1,0,0,1,0,0|1,0,1]=4 7109 B17R1.7892 CCCCCCCCCCCCOC1CCC1 34a_100000210810_100000749161 [1,0,0,1,0,0|0,0,1]=3 7110 B17R1.7892 CCCCCCCCCCCCOC1CCC1 34a_100000748187_100000759014 [1,0,0,1,0,0|0,0,1]=3 7111 B17R1.7892 CCCCCCCCCCCCOC1COC1 34a_100000210810_100009818527 [1,0,0,1,0,0|1,0,1]=4 7112 B17R1.7892 CCCCCCCCCCCCOC1COC1 7a_100000210810_100009818527 [1,0,0,1,0,0|1,0,1]=4 7113 B17R1.7892 CCCCCCCCCCCCOC1CSC1 7a_100000072292_100000759014 [1,0,0,1,0,0|1,0,1]=4 7114 B17R1.7892 CCCCCCCCCCCNCC1CCC1 2230a_100000738700_100011215454 [1,0,0,1,0,0|2,0,0]=4 7115 B17R1.7892 CCCCCCCCCCCNCC1CCC1 2230a_200011215754_100000763275 [1,0,0,1,0,0|2,0,0]=4 7116 B17R1.7892 CCCCCCCCCCCNCC1CCC1 269862a_200011215754_100000753134 [1,0,0,1,0,0|2,0,0]=4 7117 B17R1.7892 CCCCCCCCCCCNCC1CCC1 34a_100000738700_100011215454 [1,0,0,1,0,0|2,0,0]=4 7118 B17R1.7892 CCCCCCCCCCCNCC1CCC1 34a_200011215754_100000763275 [1,0,0,1,0,0|2,0,0]=4 7119 B17R1.7892 CCCCCCCCCCCOCC1CCC1 34a_100000210809_100000763275 [1,0,0,1,0,0|2,0,0]=4 7120 B17R1.7892 CCCCCCCCCCCOCC1CCC1 34a_100000760304_100011215454 [1,0,0,1,0,0|2,0,0]=4 7121 B17R1.7892 CCCCCCCCCCCOCC1CCC1 7a_100000210809_100000763275 [1,0,0,1,0,0|2,0,0]=4 7122 B17R1.7892 CCOCCCCCCCCCOC1CCC1 34a_100009875440_100000749161 [1,0,0,1,0,0|1,0,1]=4 7123 B17R1.7892 OCCCCCCCCCCCOC1CCC1 34a_100000748187_100009812471 [1,0,0,1,0,0|1,0,1]=4 7124 B17R1.10640 CCCCOCCOC1CCCCC1CCC 34a_100011217265_100000743108 [1,0,0,1,0,0|1,0,1]=4 7125 B17R1.10640 CCCCOCCOC1CCCCC1CCC 7a_100011217265_100000743108 [1,0,0,1,0,0|1,0,1]=4 7126 B17R1.25266 CCCCOCCCNC1CCCC1CCC 269862a_200000211371_100000723119 [1,0,0,1,0,0|1,0,1]=4 7127 B17R1.25266 CCCCOCCCNC1CCCC1CCC 270004a_200000211371_100000723119 [1,0,0,1,0,0|1,0,1]=4 7128 B17R1.25275 CCCCOCCCNC1CCCCCCC1 270004a_200000211371_100000210524 [1,0,0,1,0,0|1,0,1]=4 7129 B17R1.25275 CCCCOCCOCC1CCCCCCC1 34a_100011216312_100000743108 [1,0,0,1,0,0|1,0,1]=4 7130 B17R1.25275 CCCCOCCOCC1CCCCCCC1 7a_100011216312_100000743108 [1,0,0,1,0,0|1,0,1]=4 7131 B17R1.25275 CCCCOCNCCC1CCCCCCC1 2230a_100011532352_100011995733 [1,0,0,1,0,0|1,0,1]=4 7132 B17R1.25275 CCCCOCNCCC1CCCCCCC1 34a_100011532352_100011995733 [1,0,0,1,0,0|1,0,1]=4 7133 B17R1.29093 BrCCCCCCCCCCCOCC1CC1 34a_100009812471_100000742324 [1,0,0,1,0,0|1,0,1]=4 7134 B17R1.29093 BrCCCCCCCCCCCOCC1CC1 7a_100009812471_100000742324 [1,0,0,1,0,0|1,0,1]=4 7135 B17R1.29093 CCCCCCCCCCCC=NNC1CC1 4a_100000701032_100011218549 [1,0,0,1,0,0|2,0,0]=4 7136 B17R1.29093 CCCCCCCCCCCCNCC1CC1 2230a_100000210451_100000742324 [1,0,0,1,0,0|1,0,1]=4 7137 B17R1.29093 CCCCCCCCCCCCNCC1CC1 2230a_100000735609_100011215052 [1,0,0,1,0,0|1,0,1]=4 7138 B17R1.29093 CCCCCCCCCCCCNCC1CC1 269862a_100000210451_100000741477 [1,0,0,1,0,0|1,0,1]=4 7139 B17R1.29093 CCCCCCCCCCCCNCC1CC1 270004a_100000735609_100011218549 [1,0,0,1,0,0|1,0,1]=4 7140 B17R1.29093 CCCCCCCCCCCCNCC1CC1 34a_100000210451_100000742324 [1,0,0,1,0,0|1,0,1]=4 7141 B17R1.29093 CCCCCCCCCCCCNCC1CC1 34a_100000735609_100000759014 [1,0,0,1,0,0|1,0,1]=4 7142 B17R1.29093 CCCCCCCCCCCCOCC1CC1 34a_100000210810_100000742324 [1,0,0,1,0,0|0,0,1]=3 7143 B17R1.29093 CCCCCCCCCCCCOCC1CC1 34a_100000211283_100000759014 [1,0,0,1,0,0|0,0,1]=3 7144 B17R1.29093 CCCCCCCCCCCCOCC1CC1 7a_100000210810_100000742324 [1,0,0,1,0,0|0,0,1]=3 7145 B17R1.29093 CCCCCCCCCCCCOCC1CO1 34a_100000210810_102125554688 [1,0,0,1,0,0|1,0,1]=4 7146 B17R1.29093 CCCCCCCCCCCCOCC1CO1 7a_100000210810_102125554688 [1,0,0,1,0,0|1,0,1]=4 7147 B17R1.29093 CCCCCCCCCCCCOCC1CS1 7a_100000210810_100000031435 [1,0,0,1,0,0|1,0,1]=4 7148 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000759014 [1,0,0,1,0,0|1,0,1]=4 7149 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 7a_100000210810_100000745022 [1,0,0,1,0,0|1,0,1]=4 7150 B17R1.29093 CCCCCCCCCCCNCCC1CC1 2230a_200011215754_100000694398 [1,0,0,1,0,0|2,0,0]=4 7151 B17R1.29093 CCCCCCCCCCCNCCC1CC1 34a_100000764129_100011215454 [1,0,0,1,0,0|2,0,0]=4 7152 B17R1.29093 CCCCCCCCCCCNCCC1CC1 34a_200011215754_100000694398 [1,0,0,1,0,0|2,0,0]=4 7153 B17R1.29093 CCCCCCCCCCCOCCC1CC1 34a_100000210809_100000694398 [1,0,0,1,0,0|2,0,0]=4 7154 B17R1.29093 CCCCCCCCCCCOCCC1CC1 34a_100000754188_100011215454 [1,0,0,1,0,0|2,0,0]=4 7155 B17R1.29093 CCCCCCCCCCCOCCC1CC1 7a_100000210809_100000764125 [1,0,0,1,0,0|2,0,0]=4 7156 B17R1.29093 CCCCCCCCCCCOCCC1CC1 7a_100000754188_100011215454 [1,0,0,1,0,0|2,0,0]=4 7157 B17R1.29093 CCOCCCCCCCCCOCC1CC1 34a_100009875440_100000742324 [1,0,0,1,0,0|1,0,1]=4 7158 B17R1.29093 CCOCCCCCCCCCOCC1CC1 7a_100009875440_100000742324 [1,0,0,1,0,0|1,0,1]=4 7159 B17R1.29093 OCCCCCCCCCCCOCC1CC1 34a_100000211283_100009812471 [1,0,0,1,0,0|1,0,1]=4 7160 B17R1.1241 CCCCCCCCCCCN1CC[C@H](C1)C 2230a_100016987628_100011215454 [1,0,0,1,0,0|2,0,0]=4 7161 B17R1.1241 CCCCCCCCCCCN1CC[C@H](C1)C 269982a_100016987628_100011215454 [1,0,0,1,0,0|2,0,0]=4 7162 B17R1.1241 CCCCCCCCCCCN1CC[C@H](C1)C 34a_100016987628_100011215454 [1,0,0,1,0,0|2,0,0]=4 7163 B17R1.1515 CCCCC(=O)NCCCN1CCCCC1C 240690a_100000212276_100000210183 [1,0,0,1,0,0|2,0,0]=4 7164 B17R1.1515 CCCCC(=O)NCCCN1CCCCC1C 527a_100000212276_100000210183 [1,0,0,1,0,0|2,0,0]=4 7165 B17R1.1515 CCCNC(=O)CCCNC1CCCCC1C 2230a_100000211402_100011194427 [1,0,0,1,0,0|2,0,0]=4 7166 B17R1.1515 CCCNC(=O)CCCOC1CCCCC1C 7a_100000211207_100011194427 [1,0,0,1,0,0|2,0,0]=4 7167 B17R1.1515 CCCOC(=O)CNCCN1CCCCC1C 2230a_100000739827_200011215008 [1,0,0,1,0,0|2,0,0]=4 7168 B17R1.1515 CCCOC(=O)CNCCN1CCCCC1C 34a_100000739827_200011215008 [1,0,0,1,0,0|2,0,0]=4 7169 B17R1.1515 CCCOC(=O)COCCN1CCCCC1C 34a_100011305533_200011215008 [1,0,0,1,0,0|2,0,0]=4 7170 B17R1.1515 CCCOC(=O)CSCCC1CCCCN1C 62a_100000211948_200011215008 [1,0,0,1,0,0|2,0,0]=4 7171 B17R1.1515 CCCOC(=O)CSCCC1CCCCN1C 62a_200011215008_100000211948 [1,0,0,1,0,0|2,0,0]=4 7172 B17R1.1559 CCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210211 [1,0,0,1,0,0|1,0,0]=3 7173 B17R1.1559 CCCCC(=O)CCCCCN1CCOCC1 1458a_100012051560_100000210211 [1,0,0,1,0,0|2,0,0]=4 7174 B17R1.1559 CCCCC(=O)CCCCOC1CCCCO1 1458a_100000210183_100000031530 [1,0,0,1,0,0|2,0,0]=4 7175 B17R1.1559 CCCCC(=O)NCCCCN1CCCCC1 240690a_200011207366_100000210183 [1,0,0,1,0,0|2,0,0]=4 7176 B17R1.1559 CCCCC(=O)NCCCOC1CCCCC1 11a_100000205933_100000210183 [1,0,0,1,0,0|2,0,0]=4 7177 B17R1.1559 CCCCC(=O)NCCCOC1CCCCC1 1626a_100000205933_100000210183 [1,0,0,1,0,0|2,0,0]=4 7178 B17R1.1559 CCCCC(=O)NCCCOC1CCCCC1 240690a_100000205933_100000210183 [1,0,0,1,0,0|2,0,0]=4 7179 B17R1.1559 CCCCC(=O)NCCCOC1CCCCC1 527a_100000205933_100000210183 [1,0,0,1,0,0|2,0,0]=4 7180 B17R1.1559 CCCNC(=O)CCCCCN1CCCCC1 11a_100020643023_100012051570 [1,0,0,1,0,0|2,0,0]=4 7181 B17R1.1559 CCCNC(=O)CCCCCN1CCCCC1 240690a_100020643023_100012051570 [1,0,0,1,0,0|2,0,0]=4 7182 B17R1.1559 CCCNC(=O)CCCNCC1CCCCC1 2230a_100000210473_100011194427 [1,0,0,1,0,0|2,0,0]=4 7183 B17R1.1559 CCCNC(=O)CCCOCC1CCCCC1 7a_100000212181_100011194427 [1,0,0,1,0,0|2,0,0]=4 7184 B17R1.1559 CCCNC(=O)CCCSCC1CCCCC1 62a_100000211423_100011194427 [1,0,0,1,0,0|2,0,0]=4 7185 B17R1.1559 CCCNC(=O)CCCSCC1CCCCC1 62a_100011194427_100000211423 [1,0,0,1,0,0|2,0,0]=4 7186 B17R1.1559 CCCNC(=O)CNCCCC1CCCCC1 2230a_100000174927_100011713725 [1,0,0,1,0,0|2,0,0]=4 7187 B17R1.1559 CCCNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183358 [1,0,0,1,0,0|2,0,0]=4 7188 B17R1.1559 CCCNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183358 [1,0,0,1,0,0|2,0,0]=4 7189 B17R1.1559 CCCNC(=O)COCCCC1CCCCC1 34a_100000198086_100000183358 [1,0,0,1,0,0|2,0,0]=4 7190 B17R1.1559 CCCNC(=O)COCCCC1CCCCC1 7a_100000198086_100000183358 [1,0,0,1,0,0|2,0,0]=4 7191 B17R1.1559 CCCNC(=O)CSCCCC1CCCCC1 62a_100000183358_100011713725 [1,0,0,1,0,0|2,0,0]=4 7192 B17R1.1559 CCCNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183358 [1,0,0,1,0,0|2,0,0]=4 7193 B17R1.1559 CCCOC(=O)CNCCCC1CCCCC1 2230a_100011211642_200011215008 [1,0,0,1,0,0|1,0,0]=3 7194 B17R1.1559 CCCOC(=O)CNCCCC1CCCCC1 34a_100011211642_200011215008 [1,0,0,1,0,0|1,0,0]=3 7195 B17R1.1559 CCCOC(=O)CNCCOC1CCCCC1 34a_100015206981_200011215008 [1,0,0,1,0,0|2,0,0]=4 7196 B17R1.1559 CCCOC(=O)COCCCC1CCCCC1 34a_100000198086_200011215008 [1,0,0,1,0,0|1,0,0]=3 7197 B17R1.1559 CCCOC(=O)COCCCC1CCCCC1 7a_100000198086_200011215008 [1,0,0,1,0,0|1,0,0]=3 7198 B17R1.1559 CCCOC(=O)COCCCC1CCCCN1 34a_100011934581_200011215008 [1,0,0,1,0,0|2,0,0]=4 7199 B17R1.1559 CCCOC(=O)COCCCC1CCCNC1 34a_100150707839_200011215008 [1,0,0,1,0,0|2,0,0]=4 7200 B17R1.1559 CCCOC(=O)COCCCC1CCNCC1 34a_100016988962_200011215008 [1,0,0,1,0,0|2,0,0]=4 7201 B17R1.1559 CCCOC(=O)COCCCN1CCCCC1 34a_100000212458_200011215008 [1,0,0,1,0,0|2,0,0]=4 7202 B17R1.1559 CCCOC(=O)COCCNC1CCCCC1 34a_100000200466_200011215008 [1,0,0,1,0,0|2,0,0]=4 7203 B17R1.1559 CCCOC(=O)COCCOC1CCCCC1 34a_100011249652_200011215008 [1,0,0,1,0,0|2,0,0]=4 7204 B17R1.1559 CCCOC(=O)COCCOC1CCCCC1 7a_100011249652_200011215008 [1,0,0,1,0,0|2,0,0]=4 7205 B17R1.1559 CCCOC(=O)CSCCCC1CCCCC1 62a_100011713725_200011215008 [1,0,0,1,0,0|1,0,0]=3 7206 B17R1.1559 CCCOC(=O)CSCCCC1CCCCC1 62a_200011215008_100011713725 [1,0,0,1,0,0|1,0,0]=3 7207 B17R1.1559 CCCOC(=O)CSCCCN1CCCCC1 62a_100132302099_200011215008 [1,0,0,1,0,0|2,0,0]=4 7208 B17R1.1559 CCCOC(=O)CSCCCN1CCCCC1 62a_200011215008_100000007876 [1,0,0,1,0,0|2,0,0]=4 7209 B17R1.1559 CCCOC(=O)CSCCOC1CCCCC1 62a_100011211530_200011215008 [1,0,0,1,0,0|2,0,0]=4 7210 B17R1.1559 CCCOC(=O)CSCCOC1CCCCC1 62a_200011215008_100011211530 [1,0,0,1,0,0|2,0,0]=4 7211 B17R1.1559 CCCOC(=O)OCNCCC1CCCCC1 34a_100000738074_200000139673 [1,0,0,1,0,0|2,0,0]=4 7212 B17R1.1559 CCCOC(=O)OCOCCC1CCCCC1 34a_100011217863_200000139673 [1,0,0,1,0,0|2,0,0]=4 7213 B17R1.1559 CCCOC(=O)OCOCCC1CCCCC1 7a_100011217863_200000139673 [1,0,0,1,0,0|2,0,0]=4 7214 B17R1.1559 CCCOC(=O)OCSCCC1CCCCC1 62a_100012355289_200000139673 [1,0,0,1,0,0|2,0,0]=4 7215 B17R1.1559 COCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000233755 [1,0,0,1,0,0|2,0,0]=4 7216 B17R1.1559 CSCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000751147 [1,0,0,1,0,0|2,0,0]=4 7217 B17R1.1559 O=C(CCCF)CCCCCN1CCCCC1 1458a_100012051570_100011934791 [1,0,0,1,0,0|2,0,0]=4 7218 B17R1.1559 O=C(CCCO)CCCCCN1CCCCC1 1458a_100012051570_100011215043 [1,0,0,1,0,0|2,0,0]=4 7219 B17R1.1575 CCCCC(=O)NCCN1CCCCC1CC 11a_100000755458_100000210183 [1,0,0,1,0,0|2,0,0]=4 7220 B17R1.1575 CCCCC(=O)NCCN1CCCCC1CC 1626a_100000755458_100000210183 [1,0,0,1,0,0|2,0,0]=4 7221 B17R1.1575 CCCCC(=O)NCCN1CCCCC1CC 240690a_100000755458_100000210183 [1,0,0,1,0,0|2,0,0]=4 7222 B17R1.1575 CCCCC(=O)NCCN1CCCCC1CC 527a_100000755458_100000210183 [1,0,0,1,0,0|2,0,0]=4 7223 B17R1.1575 CCCNC(=O)CCCN1CCCCC1CC 2230a_100000210034_100011194427 [1,0,0,1,0,0|2,0,0]=4 7224 B17R1.1575 CCCNC(=O)CCCN1CCCCC1CC 269982a_100000210034_100011194427 [1,0,0,1,0,0|2,0,0]=4 7225 B17R1.1575 CCCOC(=O)CNCC1CCCCN1CC 2230a_100000754393_200011215008 [1,0,0,1,0,0|2,0,0]=4 7226 B17R1.1575 CCCOC(=O)CNCC1CCCCN1CC 34a_100000754393_200011215008 [1,0,0,1,0,0|2,0,0]=4 7227 B17R1.1575 CCCOC(=O)COCC1CCCCN1CC 34a_100000225091_200011215008 [1,0,0,1,0,0|2,0,0]=4 7228 B17R1.1575 CCCOC(=O)COCC1CCCCN1CC 7a_100000225091_200011215008 [1,0,0,1,0,0|2,0,0]=4 7229 B17R1.1575 CCCOC(=O)OCOC1CCCCC1CC 34a_100000210738_200000139673 [1,0,0,1,0,0|2,0,0]=4 7230 B17R1.1575 CCCOC(=O)OCOC1CCCCC1CC 7a_100000210738_200000139673 [1,0,0,1,0,0|2,0,0]=4 7231 B17R1.1576 CCCCC(=O)NCCCCCN1CCCC1 1626a_100011491779_100000210183 [1,0,0,1,0,0|2,0,0]=4 7232 B17R1.1576 CCCCC(=O)NCCCCCN1CCCC1 240690a_100011491779_100000210183 [1,0,0,1,0,0|2,0,0]=4 7233 B17R1.1576 CCCNC(=O)CCCNCCC1CCCC1 2230a_100000739158_100011194427 [1,0,0,1,0,0|2,0,0]=4 7234 B17R1.1576 CCCNC(=O)CCCOCCC1CCCC1 7a_100000749090_100011194427 [1,0,0,1,0,0|2,0,0]=4 7235 B17R1.1576 CCCNC(=O)CCCSCCC1CCCC1 62a_100000760354_100011194427 [1,0,0,1,0,0|2,0,0]=4 7236 B17R1.1576 CCCNC(=O)CCCSCCC1CCCC1 62a_100011194427_100000760354 [1,0,0,1,0,0|2,0,0]=4 7237 B17R1.1576 CCCOC(=O)CNCCCOC1CCCC1 34a_100000747560_200011215008 [1,0,0,1,0,0|2,0,0]=4 7238 B17R1.1576 CCCOC(=O)OCNCCCC1CCCC1 34a_100000736752_200000139673 [1,0,0,1,0,0|2,0,0]=4 7239 B17R1.1576 CCCOC(=O)OCOCCCC1CCCC1 34a_100011215328_200000139673 [1,0,0,1,0,0|2,0,0]=4 7240 B17R1.1576 CCCOC(=O)OCOCCCC1CCCC1 7a_100011215328_200000139673 [1,0,0,1,0,0|2,0,0]=4 7241 B17R1.1576 CCCOC(=O)OCSCCCC1CCCC1 62a_100011713738_200000139673 [1,0,0,1,0,0|2,0,0]=4 7242 B17R1.6358 CCCCC(=O)N1CCCCC1CCCOC 11a_100011804088_100000210183 [1,0,0,1,0,0|2,0,0]=4 7243 B17R1.6358 CCCCC(=O)N1CCCCC1CCCOC 1626a_100011804088_100000210183 [1,0,0,1,0,0|2,0,0]=4 7244 B17R1.6358 CCCCC(=O)N1CCCCC1CCCOC 240690a_100011804088_100000210183 [1,0,0,1,0,0|2,0,0]=4 7245 B17R1.6358 CCCCC(=O)N1CCCCC1CCCOC 527a_100011804088_100000210183 [1,0,0,1,0,0|2,0,0]=4 7246 B17R1.8463 CCCCCCC1CCCC1N(C)CCCC 270004a_100000207549_100000189428 [1,0,0,1,0,0|2,0,0]=4 7247 B17R1.10688 CCCCCCCCCCCN1CC(C1)CC 2230a_100015205115_100011215454 [1,0,0,1,0,0|2,0,0]=4 7248 B17R1.10688 CCCCCCCCCCCN1CC(C1)CC 269982a_100015205115_100011215454 [1,0,0,1,0,0|2,0,0]=4 7249 B17R1.22112 CCCCC1CCCC1NCC(=O)NCCC 269862a_100000174927_100000750825 [1,0,0,1,0,0|2,0,0]=4 7250 B17R1.22112 CCCCC1CCCC1NCC(=O)NCCC 270004a_100000174927_100000750825 [1,0,0,1,0,0|2,0,0]=4 7251 B17R1.22462 CCCOC(=O)CN1CCCCC1CCCO 2230a_100011934581_200011215008 [1,0,0,1,0,0|2,0,0]=4 7252 B17R1.22462 CCCOC(=O)CN1CCCCC1CCCO 269982a_100011934581_200011215008 [1,0,0,1,0,0|2,0,0]=4 7253 B17R1.22462 CCCOC(=O)CN1CCCCC1CCCO 34a_100011934581_200011215008 [1,0,0,1,0,0|2,0,0]=4 7254 B17R1.22462 CCCOC(=O)CN1CCCCC1CCOC 2230a_100015186528_200011215008 [1,0,0,1,0,0|2,0,0]=4 7255 B17R1.22462 CCCOC(=O)CN1CCCCC1CCOC 269982a_100015186528_200011215008 [1,0,0,1,0,0|2,0,0]=4 7256 B17R1.22462 CCCOC(=O)CN1CCCCC1CCOC 34a_100015186528_200011215008 [1,0,0,1,0,0|2,0,0]=4 7257 B17R1.25267 CCCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100011214924 [1,0,0,1,0,0|2,0,0]=4 7258 B17R1.29773 C=CCCCCCCCCCC(=O)C1CCC1 1458a_100000209988_100009814027 [1,0,0,1,0,0|0,0,2]=4 7259 B17R1.29773 CCCCCCCCCC=CC(=O)C1CCC1 1458a_200015352897_100000749161 [1,0,0,1,0,0|0,0,2]=4 7260 B17R1.29773 CCCCCCCCCCCC(=O)C1CCC1 1458a_100000209988_100011215454 [1,0,0,1,0,0|0,0,0]=2 7261 B17R1.29773 CCCCCCCCCCCC(=O)C1CCC1 1458a_100000210736_100000749161 [1,0,0,1,0,0|0,0,0]=2 7262 B17R1.29773 CCCCCCCCCCCC(=O)C1CCO1 1458a_100000089072_100011215454 [1,0,0,1,0,0|1,0,0]=3 7263 B17R1.29773 CCCCCCCCCCCC(=O)C1COC1 1458a_100000210736_100000687716 [1,0,0,1,0,0|1,0,0]=3 7264 B17R1.29773 CCCCCCCCCCCC(=O)C1COC1 1458a_100000758290_100011215454 [1,0,0,1,0,0|1,0,0]=3 7265 B17R1.29773 CCCCCCCCCCCC(=O)N1CCC1 11a_100000754969_100000210736 [1,0,0,1,0,0|1,0,0]=3 7266 B17R1.29773 CCCCCCCCCCCC(=O)N1CCC1 240690a_100000754969_100000210736 [1,0,0,1,0,0|1,0,0]=3 7267 B17R1.29773 CCCCCCCCCCCN(C)C1CCC1 2230a_100000758072_100011215454 [1,0,0,1,0,0|2,0,0]=4 7268 B17R1.29773 CCCCCCCCCCCN(C)C1CCC1 269982a_100000758072_100011215454 [1,0,0,1,0,0|2,0,0]=4 7269 B17R1.29773 CCCCCCCCCCCN(C)C1CCC1 34a_100000758072_100011215454 [1,0,0,1,0,0|2,0,0]=4 7270 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 11a_100000684558_100000209988 [1,0,0,1,0,0|1,0,0]=3 7271 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 1626a_100000684558_100000209988 [1,0,0,1,0,0|1,0,0]=3 7272 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 240690a_100000684558_100000209988 [1,0,0,1,0,0|1,0,0]=3 7273 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 527a_100000684558_100000209988 [1,0,0,1,0,0|1,0,0]=3 7274 B17R1.29773 CCCCCCCCCCNC(=O)C1CCO1 11a_100000684558_100000089072 [1,0,0,1,0,0|2,0,0]=4 7275 B17R1.29773 CCCCCCCCCCNC(=O)C1CCO1 1626a_100000684558_100000089072 [1,0,0,1,0,0|2,0,0]=4 7276 B17R1.29773 CCCCCCCCCCNC(=O)C1CCO1 240690a_100000684558_100000089072 [1,0,0,1,0,0|2,0,0]=4 7277 B17R1.29773 CCCCCCCCCCNC(=O)C1CCO1 527a_100000684558_100000089072 [1,0,0,1,0,0|2,0,0]=4 7278 B17R1.29773 CCCCCCCCCCNC(=O)C1COC1 11a_100000684558_100000758290 [1,0,0,1,0,0|2,0,0]=4 7279 B17R1.29773 CCCCCCCCCCNC(=O)C1COC1 1626a_100000684558_100000758290 [1,0,0,1,0,0|2,0,0]=4 7280 B17R1.29773 CCCCCCCCCCNC(=O)C1COC1 240690a_100000684558_100000758290 [1,0,0,1,0,0|2,0,0]=4 7281 B17R1.29773 CCCCCCCCCCNC(=O)C1COC1 527a_100000684558_100000758290 [1,0,0,1,0,0|2,0,0]=4 7282 B17R1.29773 CCCCCCCCCCNC(=O)N1CCC1 2708a_100000684558_100000754969 [1,0,0,1,0,0|2,0,0]=4 7283 B17R1.29773 CCCCCCCCCCNC(=O)N1CCC1 273464a_100000684558_100000754969 [1,0,0,1,0,0|2,0,0]=4 7284 B17R1.29773 CCCCCCCCCNCC(=O)C1CCC1 2230a_100000212291_100000686122 [1,0,0,1,0,0|1,0,0]=3 7285 B17R1.29773 CCCCCCCCCNCC(=O)C1CCC1 34a_100000212291_100000686122 [1,0,0,1,0,0|1,0,0]=3 7286 B17R1.29773 CCCCCCCCCNCC(=O)N1CCC1 2230a_100000212291_100000185095 [1,0,0,1,0,0|2,0,0]=4 7287 B17R1.29773 CCCCCCCCCNCC(=O)N1CCC1 34a_100000212291_100000185095 [1,0,0,1,0,0|2,0,0]=4 7288 B17R1.29773 CCCCCCCCCOCC(=O)C1CCC1 34a_100000210712_100000686122 [1,0,0,1,0,0|1,0,0]=3 7289 B17R1.29773 CCCCCCCCCOCC(=O)C1CCC1 7a_100000210712_100000686122 [1,0,0,1,0,0|1,0,0]=3 7290 B17R1.29773 CCCCCCCCCOCC(=O)N1CCC1 34a_100000210712_100000185095 [1,0,0,1,0,0|2,0,0]=4 7291 B17R1.29773 CCCCCCCCCOCC(=O)N1CCC1 7a_100000210712_100000185095 [1,0,0,1,0,0|2,0,0]=4 7292 B17R1.29773 CCCCCCCCCSCC(=O)C1CCC1 62a_100000686122_100000210670 [1,0,0,1,0,0|1,0,0]=3 7293 B17R1.29773 CCCCCCCCCSCC(=O)N1CCC1 62a_100000185095_100000210670 [1,0,0,1,0,0|2,0,0]=4 7294 B17R1.29773 CCCCCCCNCCNC(=O)C1CCC1 2230a_100000723847_100000210681 [1,0,0,1,0,0|2,0,0]=4 7295 B17R1.29773 CCCCCCCNCCNC(=O)C1CCC1 34a_100000723847_100000210614 [1,0,0,1,0,0|2,0,0]=4 7296 B17R1.29773 CCCCCCOCCOCC(=O)C1CCC1 34a_100000691444_100000686122 [1,0,0,1,0,0|2,0,0]=4 7297 B17R1.29773 CCCCCCOCCOCC(=O)C1CCC1 7a_100000691444_100000686122 [1,0,0,1,0,0|2,0,0]=4 7298 B17R1.29773 CCCCNCCCCOCC(=O)C1CCC1 34a_200011216965_100000686122 [1,0,0,1,0,0|2,0,0]=4 7299 B17R1.29773 CCCCOCCCCOCC(=O)C1CCC1 34a_200000760531_100000686122 [1,0,0,1,0,0|2,0,0]=4 7300 B17R1.29773 CCCCOCCCCOCC(=O)C1CCC1 7a_200000760531_100000686122 [1,0,0,1,0,0|2,0,0]=4 7301 B17R1.29773 NCCCCCCCCOCC(=O)C1CCC1 34a_102515433106_100000686122 [1,0,0,1,0,0|2,0,0]=4 7302 B17R1.29773 O=C(CCCCCCCCCCO)C1CCC1 1458a_100000209988_100009813290 [1,0,0,1,0,0|1,0,0]=3 7303 B17R1.29773 O=C(CCCCCCCCCCO)C1CCO1 1458a_100000089072_100009813290 [1,0,0,1,0,0|2,0,0]=4 7304 B17R1.29773 O=C(CCCCCCCCCCO)C1COC1 1458a_100000758290_100009813290 [1,0,0,1,0,0|2,0,0]=4 7305 B17R1.29773 O=C(CCCCCCCCCCO)N1CCC1 240690a_100000754969_200000016029 [1,0,0,1,0,0|2,0,0]=4 7306 B17R1.29773 O=C(CNCCCCCCCCO)C1CCC1 2230a_102515433106_100000686122 [1,0,0,1,0,0|2,0,0]=4 7307 B17R1.29773 O=C(CNCCCCCCCCO)C1CCC1 34a_102515433106_100000686122 [1,0,0,1,0,0|2,0,0]=4 7308 B17R1.29773 O=C(COCCCCCCCCBr)C1CCC1 34a_100009813846_100000686122 [1,0,0,1,0,0|2,0,0]=4 7309 B17R1.29773 O=C(COCCCCCCCCBr)C1CCC1 7a_100009813846_100000686122 [1,0,0,1,0,0|2,0,0]=4 7310 B17R1.29773 O=C(COCCCCCCCCCl)C1CCC1 34a_100000033203_100000686122 [1,0,0,1,0,0|2,0,0]=4 7311 B17R1.29773 O=C(COCCCCCCCCCl)C1CCC1 7a_100000033203_100000686122 [1,0,0,1,0,0|2,0,0]=4 7312 B17R1.29773 O=C(CSCCCCCCCCO)C1CCC1 62a_100000033203_100000686122 [1,0,0,1,0,0|2,0,0]=4 7313 B17R1.29773 O=C(CSCCCCCCCCO)C1CCC1 62a_100000686122_100000033203 [1,0,0,1,0,0|2,0,0]=4 7314 B17R1.29773 O=C(NCCCCCCCCCO)C1CCC1 240690a_100000078944_100000209988 [1,0,0,1,0,0|2,0,0]=4 7315 B17R1.29775 C=CCCCCCCCCCC(=O)CC1CC1 1458a_100000738066_100009814027 [1,0,0,1,0,0|0,0,2]=4 7316 B17R1.29775 CCCCCCCCCC=CC(=O)CC1CC1 1458a_200015352897_100000742324 [1,0,0,1,0,0|0,0,2]=4 7317 B17R1.29775 CCCCCCCCCCCC(=O)CC1CC1 1458a_100000210736_100000742324 [1,0,0,1,0,0|0,0,0]=2 7318 B17R1.29775 CCCCCCCCCCCC(=O)CC1CC1 1458a_100000738066_100011215454 [1,0,0,1,0,0|0,0,0]=2 7319 B17R1.29775 CCCCCCCCCCCC(=O)CC1CO1 1458a_100000210736_100011216344 [1,0,0,1,0,0|1,0,0]=3 7320 B17R1.29775 CCCCCCCCCCCC(=O)CC1CS1 1458a_100000210736_100000031435 [1,0,0,1,0,0|1,0,0]=3 7321 B17R1.29775 CCCCCCCCCCCC(=O)C[C@@H]1CO1 1458a_100000210736_100000745022 [1,0,0,1,0,0|1,0,0]=3 7322 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 1626a_100000212008_100000210736 [1,0,0,1,0,0|1,0,0]=3 7323 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 240690a_100000212008_100000210736 [1,0,0,1,0,0|1,0,0]=3 7324 B17R1.29775 CCCCCCCCCCCC(C)OC1CC1 34a_100011217895_100000211595 [1,0,0,1,0,0|1,0,1]=4 7325 B17R1.29775 CCCCCCCCCCCN(C)CC1CC1 2230a_100000741881_100011215454 [1,0,0,1,0,0|2,0,0]=4 7326 B17R1.29775 CCCCCCCCCCCN(C)CC1CC1 269982a_100000741881_100011215454 [1,0,0,1,0,0|2,0,0]=4 7327 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 11a_100000684558_100000738066 [1,0,0,1,0,0|1,0,0]=3 7328 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 1626a_100000684558_100000738066 [1,0,0,1,0,0|1,0,0]=3 7329 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 240690a_100000684558_100000738066 [1,0,0,1,0,0|1,0,0]=3 7330 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 527a_100000684558_100000738066 [1,0,0,1,0,0|1,0,0]=3 7331 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 2708a_100000212008_100000684558 [1,0,0,1,0,0|2,0,0]=4 7332 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 2708a_100000684558_100000212008 [1,0,0,1,0,0|2,0,0]=4 7333 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 273464a_100000212008_100000684558 [1,0,0,1,0,0|2,0,0]=4 7334 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 273464a_100000684558_100000212008 [1,0,0,1,0,0|2,0,0]=4 7335 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 512a_100000212008_100000684558 [1,0,0,1,0,0|2,0,0]=4 7336 B17R1.29775 CCCCCCCCCNCC(=O)NC1CC1 2230a_100000212291_100000182950 [1,0,0,1,0,0|2,0,0]=4 7337 B17R1.29775 CCCCCCCCCNCC(=O)NC1CC1 2230a_100000702991_100011214924 [1,0,0,1,0,0|2,0,0]=4 7338 B17R1.29775 CCCCCCCCCNCC(=O)NC1CC1 34a_100000212291_100000182950 [1,0,0,1,0,0|2,0,0]=4 7339 B17R1.29775 CCCCCCCCCOCC(=O)NC1CC1 34a_100000210712_100000182950 [1,0,0,1,0,0|2,0,0]=4 7340 B17R1.29775 CCCCCCCCCOCC(=O)NC1CC1 7a_100000210712_100000182950 [1,0,0,1,0,0|2,0,0]=4 7341 B17R1.29775 CCCCCCCCCSCC(=O)NC1CC1 62a_100000182950_100000210670 [1,0,0,1,0,0|2,0,0]=4 7342 B17R1.29775 CCCCCCCCNCCC(=O)NC1CC1 2230a_100000229939_100000737409 [1,0,0,1,0,0|2,0,0]=4 7343 B17R1.29775 CCCCCCCCNCCC(=O)NC1CC1 34a_100000229939_100000737409 [1,0,0,1,0,0|2,0,0]=4 7344 B17R1.29775 CCCCCCCCOCCC(=O)NC1CC1 34a_100000210232_100000737409 [1,0,0,1,0,0|2,0,0]=4 7345 B17R1.29775 CCCCCCCCSCCC(=O)NC1CC1 62a_100000210759_100000737409 [1,0,0,1,0,0|2,0,0]=4 7346 B17R1.29775 CCCCCCCCSCCC(=O)NC1CC1 62a_100000737409_100000210317 [1,0,0,1,0,0|2,0,0]=4 7347 B17R1.29775 O=C(CC1CC1)NCCCCCCCCCO 240690a_100000078944_100000738066 [1,0,0,1,0,0|2,0,0]=4 7348 B17R1.29775 O=C(CCCCCCCCCCO)CC1CC1 1458a_100000738066_100009813290 [1,0,0,1,0,0|1,0,0]=3 7349 B17R1.29775 O=C(CCCCCCCCCCO)NC1CC1 240690a_100000212008_200000016029 [1,0,0,1,0,0|2,0,0]=4 7350 B17R1.29865 CCCNC(=O)CNC1CCCCC1CCC 269862a_100000174927_100011218038 [1,0,0,1,0,0|2,0,0]=4 7351 B17R1.29865 CCCNC(=O)CNC1CCCCC1CCC 270004a_100000174927_100011218038 [1,0,0,1,0,0|2,0,0]=4 7352 B17R1.29865 CCCNC(=O)COC1CCCCC1CCC 34a_100011217265_100000183358 [1,0,0,1,0,0|2,0,0]=4 7353 B17R1.29865 CCCNC(=O)COC1CCCCC1CCC 7a_100011217265_100000183358 [1,0,0,1,0,0|2,0,0]=4 7354 B17R1.29865 CCCOC(=O)COC1CCCCC1CCC 34a_100011217265_200011215008 [1,0,0,1,0,0|1,0,0]=3 7355 B17R1.29865 CCCOC(=O)COC1CCCCC1CCC 7a_100011217265_200011215008 [1,0,0,1,0,0|1,0,0]=3 7356 B17R1.29865 CCCOC(=O)OCN1CCCCC1CCC 269982a_100000701414_200000139673 [1,0,0,1,0,0|2,0,0]=4 7357 B17R1.29865 CCCOC(=O)OCN1CCCCC1CCC 34a_100000701414_200000139673 [1,0,0,1,0,0|2,0,0]=4 7358 B17R1.29867 CCCNC(=O)CNC1CCCCCCCC1 270004a_100000174927_100000038600 [1,0,0,1,0,0|2,0,0]=4 7359 B17R1.29867 CCCOC(=O)OCN1CCCCCCCC1 269982a_100000039187_200000139673 [1,0,0,1,0,0|2,0,0]=4 7360 B17R1.29867 CCCOC(=O)OCN1CCCCCCCC1 34a_100000039187_200000139673 [1,0,0,1,0,0|2,0,0]=4 7361 B17R1.29890 CCCCC(=O)NCCCN1CCCCCC1 11a_100000181460_100000210183 [1,0,0,1,0,0|2,0,0]=4 7362 B17R1.29890 CCCCC(=O)NCCCN1CCCCCC1 240690a_100000181460_100000210183 [1,0,0,1,0,0|2,0,0]=4 7363 B17R1.29890 CCCCC(=O)NCCCN1CCCCCC1 527a_100000181460_100000210183 [1,0,0,1,0,0|2,0,0]=4 7364 B17R1.29890 CCCNC(=O)CCCNC1CCCCCC1 2230a_100000210984_100011194427 [1,0,0,1,0,0|2,0,0]=4 7365 B17R1.29890 CCCNC(=O)CCCOC1CCCCCC1 7a_100000210887_100011194427 [1,0,0,1,0,0|2,0,0]=4 7366 B17R1.29890 CCCNC(=O)CCCSC1CCCCCC1 62a_100011194427_100011217769 [1,0,0,1,0,0|2,0,0]=4 7367 B17R1.29890 CCCNC(=O)CCCSC1CCCCCC1 62a_100011217769_100011194427 [1,0,0,1,0,0|2,0,0]=4 7368 B17R1.29890 CCCNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183358 [1,0,0,1,0,0|2,0,0]=4 7369 B17R1.29890 CCCNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183358 [1,0,0,1,0,0|2,0,0]=4 7370 B17R1.29890 CCCOC(=O)CNCCC1CCCCCC1 2230a_100011532351_200011215008 [1,0,0,1,0,0|1,0,0]=3 7371 B17R1.29890 CCCOC(=O)CNCCC1CCCCCC1 34a_100011532351_200011215008 [1,0,0,1,0,0|1,0,0]=3 7372 B17R1.29890 CCCOC(=O)COCCN1CCCCCC1 34a_100000238007_200011215008 [1,0,0,1,0,0|2,0,0]=4 7373 B17R1.29890 CCCOC(=O)CSCCN1CCCCCC1 62a_100000722644_200011215008 [1,0,0,1,0,0|2,0,0]=4 7374 B17R1.29890 CCCOC(=O)CSCCN1CCCCCC1 62a_200011215008_100000722644 [1,0,0,1,0,0|2,0,0]=4 7375 B17R1.29890 CCCOC(=O)OCNCC1CCCCCC1 34a_100015204231_200000139673 [1,0,0,1,0,0|2,0,0]=4 7376 B17R1.29890 CCCOC(=O)OCOCC1CCCCCC1 34a_100000699130_200000139673 [1,0,0,1,0,0|2,0,0]=4 7377 B17R1.29890 CCCOC(=O)OCOCC1CCCCCC1 7a_100000699130_200000139673 [1,0,0,1,0,0|2,0,0]=4 7378 B17R1.29890 CCCOC(=O)OCSCC1CCCCCC1 62a_200000696569_200000139673 [1,0,0,1,0,0|2,0,0]=4 7379 B17R1.30208 CCCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000210183 [1,0,0,1,0,0|1,0,0]=3 7380 B17R1.30208 CCCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000210183 [1,0,0,1,0,0|1,0,0]=3 7381 B17R1.30208 CCCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000210183 [1,0,0,1,0,0|1,0,0]=3 7382 B17R1.30208 CCCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000210183 [1,0,0,1,0,0|1,0,0]=3 7383 B17R1.30208 CCCNC(=O)CCCN1CCCCCCC1 2230a_100000211400_100011194427 [1,0,0,1,0,0|2,0,0]=4 7384 B17R1.30208 CCCNC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011194427 [1,0,0,1,0,0|2,0,0]=4 7385 B17R1.30208 CCCNC(=O)COCC1CCCCCCC1 34a_100011216312_100000183358 [1,0,0,1,0,0|2,0,0]=4 7386 B17R1.30208 CCCNC(=O)COCC1CCCCCCC1 7a_100011216312_100000183358 [1,0,0,1,0,0|2,0,0]=4 7387 B17R1.30208 CCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100020643023 [1,0,0,1,0,0|2,0,0]=4 7388 B17R1.30208 CCCNC(=O)NCCC1CCCCCCC1 2708a_100020643023_100011532352 [1,0,0,1,0,0|2,0,0]=4 7389 B17R1.30208 CCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100020643023 [1,0,0,1,0,0|2,0,0]=4 7390 B17R1.30208 CCCNC(=O)NCCC1CCCCCCC1 273464a_100020643023_100011532352 [1,0,0,1,0,0|2,0,0]=4 7391 B17R1.30208 CCCNC(=O)NCCC1CCCCCCC1 512a_100020643023_100011532352 [1,0,0,1,0,0|2,0,0]=4 7392 B17R1.30208 CCCOC(=O)COCC1CCCCCCC1 34a_100011216312_200011215008 [1,0,0,1,0,0|1,0,0]=3 7393 B17R1.30208 CCCOC(=O)COCC1CCCCCCC1 7a_100011216312_200011215008 [1,0,0,1,0,0|1,0,0]=3 7394 B17R1.30208 CCCOC(=O)OCNC1CCCCCCC1 34a_100000211152_200000139673 [1,0,0,1,0,0|2,0,0]=4 7395 B17R1.30208 CCCOC(=O)OCOC1CCCCCCC1 34a_100000210054_200000139673 [1,0,0,1,0,0|2,0,0]=4 7396 B17R1.30208 CCCOC(=O)OCOC1CCCCCCC1 7a_100000210054_200000139673 [1,0,0,1,0,0|2,0,0]=4 7397 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000211967 [1,0,0,1,0,0|2,0,0]=4 7398 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000211967 [1,0,0,1,0,0|2,0,0]=4 7399 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000211967 [1,0,0,1,0,0|2,0,0]=4 7400 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000211967 [1,0,0,1,0,0|2,0,0]=4 7401 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000230394 [1,0,0,1,0,0|2,0,0]=4 7402 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000230394 [1,0,0,1,0,0|2,0,0]=4 7403 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000230394 [1,0,0,1,0,0|2,0,0]=4 7404 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000230394 [1,0,0,1,0,0|2,0,0]=4 7405 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000749529 [1,0,0,1,0,0|2,0,0]=4 7406 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000749529 [1,0,0,1,0,0|2,0,0]=4 7407 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000749529 [1,0,0,1,0,0|2,0,0]=4 7408 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000749529 [1,0,0,1,0,0|2,0,0]=4 7409 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000174002 [1,0,0,1,0,0|2,0,0]=4 7410 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000174002 [1,0,0,1,0,0|2,0,0]=4 7411 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000174002 [1,0,0,1,0,0|2,0,0]=4 7412 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000174002 [1,0,0,1,0,0|2,0,0]=4 7413 B17R1.30209 CCCOC(=O)COCC1CCCN1CCC 34a_200000694710_200011215008 [1,0,0,1,0,0|2,0,0]=4 7414 B17R1.30209 CCCOC(=O)COCC1CCCN1CCC 7a_200000694710_200011215008 [1,0,0,1,0,0|2,0,0]=4 7415 B17R1.60382 CCCCCCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210759 [1,0,0,1,0,0|2,0,0]=4 7416 B17R1.60382 CCCCCCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210759 [1,0,0,1,0,0|2,0,0]=4 7417 B17R1.60382 CCCCCCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210759 [1,0,0,1,0,0|2,0,0]=4 7418 B17R1.73265 C=CCCCCCCCCCC(=O)C1CC1C 1458a_100000211227_100009814027 [1,0,0,1,0,0|0,0,2]=4 7419 B17R1.73265 CC1CC1C(=O)CCCCCCCCCCO 1458a_100000211227_100009813290 [1,0,0,1,0,0|1,0,0]=3 7420 B17R1.73265 CCCCCCCCCCCC(=O)C1CC1C 1458a_100000211227_100011215454 [1,0,0,1,0,0|0,0,0]=2 7421 B17R1.73265 CCCCCCCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215454 [1,0,0,1,0,0|1,0,0]=3 7422 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C 11a_100000684558_100000211227 [1,0,0,1,0,0|1,0,0]=3 7423 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C 1626a_100000684558_100000211227 [1,0,0,1,0,0|1,0,0]=3 7424 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C 527a_100000684558_100000211227 [1,0,0,1,0,0|1,0,0]=3 7425 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000684558_100015396687 [1,0,0,1,0,0|2,0,0]=4 7426 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000684558_100015396687 [1,0,0,1,0,0|2,0,0]=4 7427 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000684558_100015396687 [1,0,0,1,0,0|2,0,0]=4 7428 B17R1.73265 O=C(CCCCCCCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100009813290 [1,0,0,1,0,0|2,0,0]=4 7429 B17R1.165670 CCCCCCCN1CCNC(=O)C1CCC 2230a_200000695202_100000210681 [1,0,0,1,0,0|2,0,0]=4 7430 B17R1.165670 CCCCCCCN1CCNC(=O)C1CCC 269982a_200000695202_100000210681 [1,0,0,1,0,0|2,0,0]=4 7431 B17R1.165670 CCCCCCCN1CCNC(=O)C1CCC 34a_200000695202_100000210614 [1,0,0,1,0,0|2,0,0]=4 7432 B19R1.3800 CCCCCCCCCCCC(=O)C=C1CCCC1 1458a_100000743260_100011215454 [0,1,0,1,0,0|1,0,0]=3 7433 B19R1.3800 CCCCCCCCCCCC(=O)CC1=CCCC1 1458a_100000050221_100011215454 [0,1,0,1,0,0|1,0,1]=4 7434 B19R1.3800 CCCCCCCCCCCC(=O)CC1C=CCC1 1458a_100000212241_100011215454 [0,1,0,1,0,0|1,0,1]=4 7435 B19R1.3800 CCCCCCCCCCCC(=O)CC1CC=CC1 1458a_200000137526_100011215454 [0,1,0,1,0,0|1,0,1]=4 7436 B19R1.3800 CCCCCCCCCCCC(=O)CC1CCCO1 1458a_100000210736_100000203698 [0,1,0,1,0,0|1,0,0]=3 7437 B19R1.3800 CCCCCCCCCCCC(=O)CC1CCOC1 1458a_100000210736_100000702531 [0,1,0,1,0,0|1,0,0]=3 7438 B19R1.3800 CCCCCCCCCCCC(=O)CC1CCOC1 1458a_100011218419_100011215454 [0,1,0,1,0,0|1,0,0]=3 7439 B19R1.3800 CCCCCCCCCCCC(=O)CC1OCCO1 1458a_100000210736_100000755774 [0,1,0,1,0,0|2,0,0]=4 7440 B19R1.3800 CCCCCCCCCCCC(=O)CN1CCCC1 1458a_100000740243_100011215454 [0,1,0,1,0,0|1,0,0]=3 7441 B19R1.3800 CCCCCCCCCCCC(=O)NC1CC=CC1 11a_100015188752_100000210736 [0,1,0,1,0,0|1,0,1]=4 7442 B19R1.3800 CCCCCCCCCCCC(=O)NC1CC=CC1 1626a_100015188752_100000210736 [0,1,0,1,0,0|1,0,1]=4 7443 B19R1.3800 CCCCCCCCCCCC(=O)NC1CC=CC1 240690a_100015188752_100000210736 [0,1,0,1,0,0|1,0,1]=4 7444 B19R1.3800 CCCCCCCCCCCC(=O)NC1CCCC1 11a_100000211070_100000210736 [0,1,0,1,0,0|1,0,0]=3 7445 B19R1.3800 CCCCCCCCCCCC(=O)NC1CCCC1 1626a_100000211070_100000210736 [0,1,0,1,0,0|1,0,0]=3 7446 B19R1.3800 CCCCCCCCCCCC(=O)NC1CCCC1 240690a_100000211070_100000210736 [0,1,0,1,0,0|1,0,0]=3 7447 B19R1.3800 CCCCCCCCCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210736 [0,1,0,1,0,0|1,0,0]=3 7448 B19R1.3800 CCCCCCCCCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210736 [0,1,0,1,0,0|1,0,0]=3 7449 B19R1.3800 CCCCCCCCCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210736 [0,1,0,1,0,0|1,0,0]=3 7450 B19R1.3800 CCCCCCCCCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210736 [0,1,0,1,0,0|1,0,0]=3 7451 B19R1.3800 CCCCCCCCCCCC(C)OC1CCOC1 34a_100011217895_100000690089 [0,1,0,1,0,0|1,0,1]=4 7452 B19R1.3800 CCCCCCCCCCCC(C)OC1CCOC1 7a_100011217895_100000731011 [0,1,0,1,0,0|1,0,1]=4 7453 B19R1.3800 CCCCCCCCCCNC(=O)C=C1CCCC1 11a_100000684558_100000743260 [0,1,0,1,0,0|2,0,0]=4 7454 B19R1.3800 CCCCCCCCCCNC(=O)C=C1CCCC1 1626a_100000684558_100000743260 [0,1,0,1,0,0|2,0,0]=4 7455 B19R1.3800 CCCCCCCCCCNC(=O)C=C1CCCC1 240690a_100000684558_100000743260 [0,1,0,1,0,0|2,0,0]=4 7456 B19R1.3800 CCCCCCCCCCNC(=O)C=C1CCCC1 527a_100000684558_100000743260 [0,1,0,1,0,0|2,0,0]=4 7457 B19R1.3800 CCCCCCCCCCNC(=O)CC1CCCC1 11a_100000684558_100000210891 [0,1,0,1,0,0|2,0,0]=4 7458 B19R1.3800 CCCCCCCCCCNC(=O)CC1CCCC1 1626a_100000684558_100000210891 [0,1,0,1,0,0|2,0,0]=4 7459 B19R1.3800 CCCCCCCCCCNC(=O)CC1CCCC1 240690a_100000684558_100000210891 [0,1,0,1,0,0|2,0,0]=4 7460 B19R1.3800 CCCCCCCCCCNC(=O)CC1CCCC1 527a_100000684558_100000210891 [0,1,0,1,0,0|2,0,0]=4 7461 B19R1.3800 CCCCCCCCCCNC(=O)CC1CCOC1 11a_100000684558_100011218419 [0,1,0,1,0,0|2,0,0]=4 7462 B19R1.3800 CCCCCCCCCCNC(=O)CC1CCOC1 1626a_100000684558_100011218419 [0,1,0,1,0,0|2,0,0]=4 7463 B19R1.3800 CCCCCCCCCCNC(=O)CC1CCOC1 240690a_100000684558_100011218419 [0,1,0,1,0,0|2,0,0]=4 7464 B19R1.3800 CCCCCCCCCCNC(=O)CC1CCOC1 527a_100000684558_100011218419 [0,1,0,1,0,0|2,0,0]=4 7465 B19R1.3800 CCCCCCCCCCNC(=O)CN1CCCC1 240690a_100000684558_100000740243 [0,1,0,1,0,0|2,0,0]=4 7466 B19R1.3800 CCCCCCCCCCNC(=O)CN1CCCC1 527a_100000684558_100000740243 [0,1,0,1,0,0|2,0,0]=4 7467 B19R1.3800 CCCCCCCCCCNC(=O)NC1CCCC1 2708a_100000211070_100000684558 [0,1,0,1,0,0|2,0,0]=4 7468 B19R1.3800 CCCCCCCCCCNC(=O)NC1CCCC1 2708a_100000684558_100000211070 [0,1,0,1,0,0|2,0,0]=4 7469 B19R1.3800 CCCCCCCCCCNC(=O)NC1CCCC1 273464a_100000211070_100000684558 [0,1,0,1,0,0|2,0,0]=4 7470 B19R1.3800 CCCCCCCCCCNC(=O)NC1CCCC1 273464a_100000684558_100000211070 [0,1,0,1,0,0|2,0,0]=4 7471 B19R1.3800 CCCCCCCCCCNC(=O)NC1CCCC1 512a_100000211070_100000684558 [0,1,0,1,0,0|2,0,0]=4 7472 B19R1.3800 CCCCCCCCCCNC(=O)NC1CCCC1 512a_100000684558_100000211070 [0,1,0,1,0,0|2,0,0]=4 7473 B19R1.3800 CCCCCCCCCCNC(=O)N[C@@H]1CCOC1 2708a_100000684558_200015188469 [0,1,0,1,0,0|2,0,0]=4 7474 B19R1.3800 CCCCCCCCCCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100000684558 [0,1,0,1,0,0|2,0,0]=4 7475 B19R1.3800 CCCCCCCCCCNC(=O)N[C@@H]1CCOC1 273464a_100000684558_200015188469 [0,1,0,1,0,0|2,0,0]=4 7476 B19R1.3800 CCCCCCCCCCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100000684558 [0,1,0,1,0,0|2,0,0]=4 7477 B19R1.3800 CCCCCCCCCCNC(=O)N[C@@H]1CCOC1 512a_100000684558_200015188469 [0,1,0,1,0,0|2,0,0]=4 7478 B19R1.3800 CCCCCCCCCCNC(=O)N[C@H]1CCOC1 2708a_100000684558_100015188467 [0,1,0,1,0,0|2,0,0]=4 7479 B19R1.3800 CCCCCCCCCCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100000684558 [0,1,0,1,0,0|2,0,0]=4 7480 B19R1.3800 CCCCCCCCCCNC(=O)N[C@H]1CCOC1 273464a_100000684558_100015188467 [0,1,0,1,0,0|2,0,0]=4 7481 B19R1.3800 CCCCCCCCCCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100000684558 [0,1,0,1,0,0|2,0,0]=4 7482 B19R1.3800 CCCCCCCCCCNC(=O)N[C@H]1CCOC1 512a_100000684558_100015188467 [0,1,0,1,0,0|2,0,0]=4 7483 B19R1.3800 CCCCCCCCCCNC(=O)N[C@H]1CCOC1 512a_100015188467_100000684558 [0,1,0,1,0,0|2,0,0]=4 7484 B19R1.3800 CCCCCCCCCCOC(=O)CN1CCCC1 2230a_100000188435_100000210668 [0,1,0,1,0,0|2,0,0]=4 7485 B19R1.3800 CCCCCCCCCCOC(=O)CN1CCCC1 269982a_100000188435_100000210668 [0,1,0,1,0,0|2,0,0]=4 7486 B19R1.3800 CCCCCCCCCNCC(=O)NC1CCCC1 2230a_100000212291_100000183512 [0,1,0,1,0,0|2,0,0]=4 7487 B19R1.3800 CCCCCCCCCNCC(=O)NC1CCCC1 2230a_100000747513_100011214924 [0,1,0,1,0,0|2,0,0]=4 7488 B19R1.3800 CCCCCCCCCNCC(=O)NC1CCCC1 34a_100000212291_100000183512 [0,1,0,1,0,0|2,0,0]=4 7489 B19R1.3800 CCCCCCCCCOCC(=O)NC1CCCC1 34a_100000210712_100000183512 [0,1,0,1,0,0|2,0,0]=4 7490 B19R1.3800 CCCCCCCCCOCC(=O)NC1CCCC1 7a_100000210712_100000183512 [0,1,0,1,0,0|2,0,0]=4 7491 B19R1.3800 CCCCCCCCCSCC(=O)NC1CCCC1 62a_100000183512_100000210670 [0,1,0,1,0,0|2,0,0]=4 7492 B19R1.3800 CCCCCCCCNCCC(=O)NC1CCCC1 2230a_100000229939_100000743710 [0,1,0,1,0,0|2,0,0]=4 7493 B19R1.3800 CCCCCCCCOCCC(=O)NC1CCCC1 7a_100000210232_100000743710 [0,1,0,1,0,0|2,0,0]=4 7494 B19R1.3800 CCCCCCCCSCCC(=O)NC1CCCC1 62a_100000210759_100000743710 [0,1,0,1,0,0|2,0,0]=4 7495 B19R1.3800 CCCCCCCCSCCC(=O)NC1CCCC1 62a_100000743710_100000210317 [0,1,0,1,0,0|2,0,0]=4 7496 B19R1.3800 O=C(C=C1CCCC1)CCCCCCCCCCO 1458a_100000743260_100009813290 [0,1,0,1,0,0|2,0,0]=4 7497 B19R1.3800 O=C(CCCCCCCCCCO)CC1CCCC1 1458a_100000210891_100009813290 [0,1,0,1,0,0|2,0,0]=4 7498 B19R1.3800 O=C(CCCCCCCCCCO)CC1CCOC1 1458a_100011218419_100009813290 [0,1,0,1,0,0|2,0,0]=4 7499 B19R1.3800 O=C(CCCCCCCCCCO)CN1CCCC1 1458a_100000740243_100009813290 [0,1,0,1,0,0|2,0,0]=4 7500 B19R1.3800 O=C(CCCCCCCCCCO)NC1CCCC1 240690a_100000211070_200000016029 [0,1,0,1,0,0|2,0,0]=4 7501 B19R1.3800 O=C(CCCCCCCCCCO)N[C@@H]1CCOC1 240690a_200015188469_200000016029 [0,1,0,1,0,0|2,0,0]=4 7502 B19R1.3800 O=C(CCCCCCCCCCO)N[C@H]1CCOC1 240690a_100015188467_200000016029 [0,1,0,1,0,0|2,0,0]=4 7503 B19R1.4197 CCCC(C)CC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011216630 [0,1,0,1,0,0|2,0,0]=4 7504 B19R1.4197 CCCC(C)NC(=O)CCCCCN1CCCCC1 11a_100000741246_100012051570 [0,1,0,1,0,0|2,0,0]=4 7505 B19R1.4197 CCCC(C)NC(=O)CCCCCN1CCCCC1 240690a_100000741246_100012051570 [0,1,0,1,0,0|2,0,0]=4 7506 B19R1.15492 CCCCCCCCCCCc1nc(no1)CCC 270196a_100011193412_100000210736 [0,1,0,1,0,0|1,0,1]=4 7507 B19R1.15492 CCCCCCCCCCCc1noc(n1)CCC 270196a_100000749962_100000211992 [0,1,0,1,0,0|1,0,1]=4 7508 B19R1.55075 CC1CCCC1C(=O)CCCCCCCCCCO 1458a_100000690547_100009813290 [0,1,0,1,0,0|2,0,0]=4 7509 B19R1.55075 CC1SCCN1C(=O)CCCCCCCCCCO 240690a_200011216479_200000016029 [0,1,0,1,0,0|2,0,0]=4 7510 B19R1.55075 CCCCCCCCCCCC(=O)C1CCCC1=O 1458a_100000210736_100000211823 [0,1,0,1,0,0|1,0,1]=4 7511 B19R1.55075 CCCCCCCCCCCC(=O)C1CCCC1C 1458a_100000690547_100011215454 [0,1,0,1,0,0|1,0,0]=3 7512 B19R1.55075 CCCCCCCCCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210736 [0,1,0,1,0,0|1,0,0]=3 7513 B19R1.55075 CCCCCCCCCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210736 [0,1,0,1,0,0|1,0,0]=3 7514 B19R1.55075 CCCCCCCCCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210736 [0,1,0,1,0,0|1,0,0]=3 7515 B19R1.55075 CCCCCCCCCCCC(=O)N1CCSC1C 11a_200011216479_100000210736 [0,1,0,1,0,0|1,0,0]=3 7516 B19R1.55075 CCCCCCCCCCCC(=O)N1CCSC1C 1626a_200011216479_100000210736 [0,1,0,1,0,0|1,0,0]=3 7517 B19R1.55075 CCCCCCCCCCCC(=O)N1CCSC1C 240690a_200011216479_100000210736 [0,1,0,1,0,0|1,0,0]=3 7518 B19R1.55075 CCCCCCCCCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011215454 [0,1,0,1,0,0|1,0,0]=3 7519 B19R1.55075 CCCCCCCCCCNC(=O)C1CCCC1C 11a_100000684558_100000690547 [0,1,0,1,0,0|2,0,0]=4 7520 B19R1.55075 CCCCCCCCCCNC(=O)C1CCCC1C 1626a_100000684558_100000690547 [0,1,0,1,0,0|2,0,0]=4 7521 B19R1.55075 CCCCCCCCCCNC(=O)C1CCCC1C 240690a_100000684558_100000690547 [0,1,0,1,0,0|2,0,0]=4 7522 B19R1.55075 CCCCCCCCCCNC(=O)C1CCCC1C 527a_100000684558_100000690547 [0,1,0,1,0,0|2,0,0]=4 7523 B19R1.55075 CCCCCCCCCCNC(=O)N1CCC[C@@H]1C 2708a_100000684558_100020605311 [0,1,0,1,0,0|2,0,0]=4 7524 B19R1.55075 CCCCCCCCCCNC(=O)N1CCC[C@@H]1C 273464a_100000684558_100020605311 [0,1,0,1,0,0|2,0,0]=4 7525 B19R1.55075 CCCCCCCCCCNC(=O)N1CCC[C@H]1C 2708a_100000684558_100015189458 [0,1,0,1,0,0|2,0,0]=4 7526 B19R1.55075 CCCCCCCCCCNC(=O)N1CCC[C@H]1C 273464a_100000684558_100015189458 [0,1,0,1,0,0|2,0,0]=4 7527 B19R1.55075 CCCCCCCCCCNC(=O)N1CCSC1C 2708a_100000684558_200011216479 [0,1,0,1,0,0|2,0,0]=4 7528 B19R1.55075 CCCCCCCCCCNC(=O)N1CCSC1C 273464a_100000684558_200011216479 [0,1,0,1,0,0|2,0,0]=4 7529 B19R1.55075 CCCCCCCCCCNC(=O)[C@@H]1CCCN1C 11a_100000684558_100009816429 [0,1,0,1,0,0|2,0,0]=4 7530 B19R1.55075 CCCCCCCCCCNC(=O)[C@@H]1CCCN1C 240690a_100000684558_100009816429 [0,1,0,1,0,0|2,0,0]=4 7531 B19R1.55075 CCCCCCCCCCNC(=O)[C@@H]1CCCN1C 527a_100000684558_100009816429 [0,1,0,1,0,0|2,0,0]=4 7532 B19R1.55075 CN1CCC[C@H]1C(=O)CCCCCCCCCCO 1458a_100009816429_100009813290 [0,1,0,1,0,0|2,0,0]=4 7533 B19R1.55075 C[C@@H]1CCCN1C(=O)CCCCCCCCCCO 240690a_100015189458_200000016029 [0,1,0,1,0,0|2,0,0]=4 7534 B19R1.55075 C[C@H]1CCCN1C(=O)CCCCCCCCCCO 240690a_100020605311_200000016029 [0,1,0,1,0,0|2,0,0]=4 7535 B19R1.55077 C=C1CC(C1)NC(=O)CCCCCCCCCCC 11a_100132301982_100000210736 [0,1,0,1,0,0|1,0,1]=4 7536 B19R1.55077 C=C1CC(C1)NC(=O)CCCCCCCCCCC 1626a_100132301982_100000210736 [0,1,0,1,0,0|1,0,1]=4 7537 B19R1.55077 CCCCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100000210736_100009874392 [0,1,0,1,0,0|1,0,1]=4 7538 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)F 11a_100016993743_100000210736 [0,1,0,1,0,0|1,0,0]=3 7539 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)F 1626a_100016993743_100000210736 [0,1,0,1,0,0|1,0,0]=3 7540 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)F 240690a_100016993743_100000210736 [0,1,0,1,0,0|1,0,0]=3 7541 B19R1.55077 CCCCCCCCCCCC(=O)NC1CN(C1)C 240690a_100015196640_100000210736 [0,1,0,1,0,0|2,0,0]=4 7542 B19R1.55077 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210736 [0,1,0,1,0,0|1,0,0]=3 7543 B19R1.55077 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210736 [0,1,0,1,0,0|1,0,0]=3 7544 B19R1.55077 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210736 [0,1,0,1,0,0|1,0,0]=3 7545 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 2708a_100000684558_100016993743 [0,1,0,1,0,0|2,0,0]=4 7546 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 2708a_100016993743_100000684558 [0,1,0,1,0,0|2,0,0]=4 7547 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 273464a_100000684558_100016993743 [0,1,0,1,0,0|2,0,0]=4 7548 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 273464a_100016993743_100000684558 [0,1,0,1,0,0|2,0,0]=4 7549 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 512a_100000684558_100016993743 [0,1,0,1,0,0|2,0,0]=4 7550 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 512a_100016993743_100000684558 [0,1,0,1,0,0|2,0,0]=4 7551 B19R1.55077 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100000684558_100020629032 [0,1,0,1,0,0|2,0,0]=4 7552 B19R1.55077 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100000684558_100020629032 [0,1,0,1,0,0|2,0,0]=4 7553 B19R1.55077 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100000684558 [0,1,0,1,0,0|2,0,0]=4 7554 B19R1.55077 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100000684558_100020629032 [0,1,0,1,0,0|2,0,0]=4 7555 B19R1.55077 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100000684558 [0,1,0,1,0,0|2,0,0]=4 7556 B19R1.55077 O=C(CCCCCCCCCCO)NC1CC(C1)F 240690a_100016993743_200000016029 [0,1,0,1,0,0|2,0,0]=4 7557 B19R1.55077 O=C(CCCCCCCCCCO)N[C@H]1C[C@@H](C1)O 240690a_100020629032_200000016029 [0,1,0,1,0,0|2,0,0]=4 7558 B19R1.141920 CC(NC(=O)CCCCCCCCCCO)C1CC1 240690a_100000700016_200000016029 [0,1,0,1,0,0|2,0,0]=4 7559 B19R1.141920 CCCCCCCCCCCC(=O)C=C(C)C1CC1 1458a_100000742917_100011215454 [0,1,0,1,0,0|1,0,1]=4 7560 B19R1.141920 CCCCCCCCCCCC(=O)CC(=O)C1CC1 1458a_100000210736_100000746382 [0,1,0,1,0,0|1,0,1]=4 7561 B19R1.141920 CCCCCCCCCCCC(=O)NC(C)C1CC1 11a_100000700016_100000210736 [0,1,0,1,0,0|1,0,0]=3 7562 B19R1.141920 CCCCCCCCCCCC(=O)NC(C)C1CC1 1626a_100000700016_100000210736 [0,1,0,1,0,0|1,0,0]=3 7563 B19R1.141920 CCCCCCCCCCCC(=O)NC(C)C1CC1 240690a_100000700016_100000210736 [0,1,0,1,0,0|1,0,0]=3 7564 B19R1.141920 CCCCCCCCCCNC(=O)NC(C)C1CC1 2708a_100000684558_100000700016 [0,1,0,1,0,0|2,0,0]=4 7565 B19R1.141920 CCCCCCCCCCNC(=O)NC(C)C1CC1 2708a_100000700016_100000684558 [0,1,0,1,0,0|2,0,0]=4 7566 B19R1.141920 CCCCCCCCCCNC(=O)NC(C)C1CC1 273464a_100000684558_100000700016 [0,1,0,1,0,0|2,0,0]=4 7567 B19R1.141920 CCCCCCCCCCNC(=O)NC(C)C1CC1 273464a_100000700016_100000684558 [0,1,0,1,0,0|2,0,0]=4 7568 B19R1.141920 CCCCCCCCCCNC(=O)NC(C)C1CC1 512a_100000684558_100000700016 [0,1,0,1,0,0|2,0,0]=4 7569 B19R1.141920 CCCCCCCCCCNC(=O)NC(C)C1CC1 512a_100000700016_100000684558 [0,1,0,1,0,0|2,0,0]=4 7570 B19R1.364299 CCCC(C)CC(=O)NCCC1CCCCCCC1 11a_100011532352_100000748435 [0,1,0,1,0,0|2,0,0]=4 7571 B19R1.364299 CCCC(C)CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000748435 [0,1,0,1,0,0|2,0,0]=4 7572 B19R1.364299 CCCC(C)CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000748435 [0,1,0,1,0,0|2,0,0]=4 7573 B19R1.364299 CCCC(C)CC(=O)NCCC1CCCCCCC1 527a_100011532352_100000748435 [0,1,0,1,0,0|2,0,0]=4 7574 B19R1.364299 CCCC(C)NC(=O)NCCC1CCCCCCC1 2708a_100000741246_100011532352 [0,1,0,1,0,0|2,0,0]=4 7575 B19R1.364299 CCCC(C)NC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000741246 [0,1,0,1,0,0|2,0,0]=4 7576 B19R1.364299 CCCC(C)NC(=O)NCCC1CCCCCCC1 273464a_100000741246_100011532352 [0,1,0,1,0,0|2,0,0]=4 7577 B19R1.364299 CCCC(C)NC(=O)NCCC1CCCCCCC1 512a_100000741246_100011532352 [0,1,0,1,0,0|2,0,0]=4 7578 B19R1.499309 CC1(CCC1)NC(=O)CCCCCCCCCCO 240690a_100000692455_200000016029 [0,1,0,1,0,0|2,0,0]=4 7579 B19R1.499309 CCCCCCCCCCCC(=O)CC1(COC1)C 1458a_100000210736_100000066812 [0,1,0,1,0,0|2,0,0]=4 7580 B19R1.499309 CCCCCCCCCCCC(=O)NC1(CCC1)C 11a_100000692455_100000210736 [0,1,0,1,0,0|1,0,0]=3 7581 B19R1.499309 CCCCCCCCCCCC(=O)NC1(CCC1)C 1626a_100000692455_100000210736 [0,1,0,1,0,0|1,0,0]=3 7582 B19R1.499309 CCCCCCCCCCCC(=O)NC1(CCC1)C 240690a_100000692455_100000210736 [0,1,0,1,0,0|1,0,0]=3 7583 B19R1.499309 CCCCCCCCCCCC(=O)NC1(COC1)C 11a_100000732644_100000210736 [0,1,0,1,0,0|2,0,0]=4 7584 B19R1.499309 CCCCCCCCCCCC(=O)NC1(COC1)C 1626a_100000732644_100000210736 [0,1,0,1,0,0|2,0,0]=4 7585 B19R1.499309 CCCCCCCCCCNC(=O)NC1(CCC1)C 2708a_100000684558_100000692455 [0,1,0,1,0,0|2,0,0]=4 7586 B19R1.499309 CCCCCCCCCCNC(=O)NC1(CCC1)C 273464a_100000684558_100000692455 [0,1,0,1,0,0|2,0,0]=4 7587 B19R1.499309 CCCCCCCCCCNC(=O)NC1(CCC1)C 273464a_100000692455_100000684558 [0,1,0,1,0,0|2,0,0]=4 7588 B19R1.499309 CCCCCCCCCCNC(=O)NC1(CCC1)C 512a_100000684558_100000692455 [0,1,0,1,0,0|2,0,0]=4 7589 B19R1.499309 CCCCCCCCCCNC(=O)NC1(CCC1)C 512a_100000692455_100000684558 [0,1,0,1,0,0|2,0,0]=4 7590 B19R1.1618 CCCCOC(=O)COCC(C)N1CCCCC1C 34a_200011934825_100000211628 [0,1,0,1,0,0|2,0,0]=4 7591 B19R1.1618 CCCCOC(=O)COCC(C)N1CCCCC1C 7a_200011934825_100000211628 [0,1,0,1,0,0|2,0,0]=4 7592 B19R1.10492 CCCCCC(=O)COC[C@@H](N)CC1CCCCC1 34a_100015184289_200012276598 [0,1,0,1,0,0|2,0,0]=4 7593 B19R1.10492 CCCCNC(=O)COC[C@@H](N)CC1CCCCC1 34a_100015184289_100000182744 [0,1,0,1,0,0|2,0,0]=4 7594 B19R1.10492 CCCCOC(=O)CNC[C@H](O)CN1CCCCC1 2230a_100015205997_100000211628 [0,1,0,1,0,0|2,0,0]=4 7595 B19R1.10492 CCCCOC(=O)COCC(C)CN1CCCCC1 34a_200011934647_100000211628 [0,1,0,1,0,0|2,0,0]=4 7596 B19R1.10492 CCCCOC(=O)COC[C@@H](N)CC1CCCCC1 34a_100015184289_100000211628 [0,1,0,1,0,0|1,0,0]=3 7597 B19R1.10492 COCCOC(=O)COC[C@@H](N)CC1CCCCC1 34a_100015184289_200000040189 [0,1,0,1,0,0|2,0,0]=4 7598 B19R1.10981 CCCCCCCC(=O)CCCC(=O)N1CCCC1 1458a_100000199733_100000210614 [0,1,0,1,0,0|1,0,1]=4 7599 B19R1.10981 CCCCCCCC(C)NCCC(=O)N1CCCC1 270004a_100015186530_100000210596 [0,1,0,1,0,0|2,0,0]=4 7600 B19R1.10981 CCCCCCCC(C)OCCC(=O)N1CCCC1 34a_200011215852_100011194422 [0,1,0,1,0,0|2,0,0]=4 7601 B19R1.10981 CCCCCCCC(C)OCCC(=O)N1CCCC1 7a_200011215852_100011194422 [0,1,0,1,0,0|2,0,0]=4 7602 B19R1.10981 CCCCCCCC(C)SCCC(=O)N1CCCC1 62a_100011194422_200011218727 [0,1,0,1,0,0|2,0,0]=4 7603 B19R1.10981 CCCCCCCC(C)SCCC(=O)N1CCCC1 62a_200011218727_100011194422 [0,1,0,1,0,0|2,0,0]=4 7604 B19R1.1294 CCCCOC(=O)COCCCCOC1CCCO1 34a_100011018183_100000211628 [0,1,0,1,0,0|2,0,0]=4 7605 B19R1.1294 CCCCOC(=O)COCCCCOC1CCCO1 7a_100011018183_100000211628 [0,1,0,1,0,0|2,0,0]=4 7606 B19R1.294 CCCCCCCCCCNC1CCCCNC1=O 2230a_100000684558_100000735217 [0,1,0,1,0,0|1,0,0]=3 7607 B19R1.294 CCCCCCCCCCNC1CCCCNC1=O 2230a_100000698827_100000210320 [0,1,0,1,0,0|1,0,0]=3 7608 B19R1.294 CCCCCCCCCCNC1CCCCNC1=O 34a_100000698827_100000210320 [0,1,0,1,0,0|1,0,0]=3 7609 B19R1.294 CCCCCCCCCCOC1CCCCCC1=O 7a_100000210711_100000243696 [0,1,0,1,0,0|1,0,0]=3 7610 B19R1.294 CCCCCCCCCCOC1CCCCNC1=O 7a_100000210711_100000735217 [0,1,0,1,0,0|1,0,0]=3 7611 B19R1.294 CCCCCCCCCCSC1CCCCCC1=O 62a_100000243696_100000210320 [0,1,0,1,0,0|1,0,0]=3 7612 B19R1.294 CCCCCCCCCCSC1CCCCNC1=O 62a_100000735217_100000210320 [0,1,0,1,0,0|1,0,0]=3 7613 B19R1.294 CCCCCCCNCCCN1CCCCCC1=O 2230a_100000195386_100000210681 [0,1,0,1,0,0|2,0,0]=4 7614 B19R1.294 CCCCCCCNCCCN1CCCCCC1=O 34a_100000195386_100000210614 [0,1,0,1,0,0|2,0,0]=4 7615 B19R1.294 O=C1CCCCCC1OCCCCCCCCCBr 7a_100009813782_100000243696 [0,1,0,1,0,0|2,0,0]=4 7616 B19R1.294 O=C1CCCCCC1OCCCCCCCCCCl 7a_100009868337_100000243696 [0,1,0,1,0,0|2,0,0]=4 7617 B19R1.294 O=C1CCCCCC1SCCCCCCCCCO 62a_100000243696_100009813782 [0,1,0,1,0,0|2,0,0]=4 7618 B19R1.294 O=C1CCCCCC1SCCCCCCCCCO 62a_100009813782_100000243696 [0,1,0,1,0,0|2,0,0]=4 7619 B19R1.294 O=C1NCCCCC1NCCCCCCCCCO 2230a_100000078944_100000735217 [0,1,0,1,0,0|2,0,0]=4 7620 B19R1.294 O=C1NCCCCC1NCCCCCCCCCO 2230a_100000698827_100009813782 [0,1,0,1,0,0|2,0,0]=4 7621 B19R1.294 O=C1NCCCCC1NCCCCCCCCCO 34a_100000698827_100009813782 [0,1,0,1,0,0|2,0,0]=4 7622 B19R1.294 O=C1NCCCCC1OCCCCCCCCCBr 7a_100009813782_100000735217 [0,1,0,1,0,0|2,0,0]=4 7623 B19R1.294 O=C1NCCCCC1OCCCCCCCCCCl 7a_100009868337_100000735217 [0,1,0,1,0,0|2,0,0]=4 7624 B19R1.294 O=C1NCCCCC1SCCCCCCCCCO 62a_100000735217_100009813782 [0,1,0,1,0,0|2,0,0]=4 7625 B19R1.294 O=C1NCCCCC1SCCCCCCCCCO 62a_100009813782_100000735217 [0,1,0,1,0,0|2,0,0]=4 7626 B19R1.1007 CCCCCCCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100011215454 [0,1,0,1,0,0|1,0,0]=3 7627 B19R1.1007 CCCCCCCCCCCC(=O)C1CCN(C1)C 1458a_100000739633_100011215454 [0,1,0,1,0,0|2,0,0]=4 7628 B19R1.1007 CCCCCCCCCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000210736 [0,1,0,1,0,0|1,0,0]=3 7629 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210736 [0,1,0,1,0,0|1,0,0]=3 7630 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210736 [0,1,0,1,0,0|1,0,0]=3 7631 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210736 [0,1,0,1,0,0|1,0,0]=3 7632 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210736 [0,1,0,1,0,0|1,0,0]=3 7633 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210736 [0,1,0,1,0,0|1,0,0]=3 7634 B19R1.1007 CCCCCCCCCCNC(=O)C1CCC(C1)O 1626a_100000684558_100000688591 [0,1,0,1,0,0|2,0,0]=4 7635 B19R1.1007 CCCCCCCCCCNC(=O)C1CCC(C1)O 240690a_100000684558_100000688591 [0,1,0,1,0,0|2,0,0]=4 7636 B19R1.1007 CCCCCCCCCCNC(=O)N1CCC(C1)O 2708a_100000684558_100011215560 [0,1,0,1,0,0|2,0,0]=4 7637 B19R1.1007 CCCCCCCCCCNC(=O)N1CCC(C1)O 273464a_100000684558_100011215560 [0,1,0,1,0,0|2,0,0]=4 7638 B19R1.1007 CCCCCCCCCCNC(=O)N1CC[C@@H](C1)F 2708a_100000684558_100015203821 [0,1,0,1,0,0|2,0,0]=4 7639 B19R1.1007 CCCCCCCCCCNC(=O)N1CC[C@@H](C1)F 273464a_100000684558_100015203821 [0,1,0,1,0,0|2,0,0]=4 7640 B19R1.1007 CCCCCCCCCCNC(=O)N1CC[C@H](C1)C 2708a_100000684558_100016987628 [0,1,0,1,0,0|2,0,0]=4 7641 B19R1.1007 CCCCCCCCCCNC(=O)N1CC[C@H](C1)C 273464a_100000684558_100016987628 [0,1,0,1,0,0|2,0,0]=4 7642 B19R1.1007 C[C@@H]1CCN(C1)C(=O)CCCCCCCCCCO 240690a_100016987628_200000016029 [0,1,0,1,0,0|2,0,0]=4 7643 B19R1.1007 O=C(CCCCCCCCCCO)C1CCC(C1)O 1458a_100000688591_100009813290 [0,1,0,1,0,0|2,0,0]=4 7644 B19R1.1007 O=C(CCCCCCCCCCO)N1CCC(C1)O 240690a_100011215560_200000016029 [0,1,0,1,0,0|2,0,0]=4 7645 B19R1.1007 O=C(CCCCCCCCCCO)N1CC[C@@H](C1)F 240690a_100015203821_200000016029 [0,1,0,1,0,0|2,0,0]=4 7646 B19R1.26149 CC(C)CCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011214892 [0,1,0,1,0,0|2,0,0]=4 7647 B19R1.26149 CC(C)CCNC(=O)CCCCCN1CCCCC1 11a_100000210545_100012051570 [0,1,0,1,0,0|2,0,0]=4 7648 B19R1.26149 CC(C)CCNC(=O)CCCCCN1CCCCC1 240690a_100000210545_100012051570 [0,1,0,1,0,0|2,0,0]=4 7649 B19R1.26149 CC(O)CCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000718107 [0,1,0,1,0,0|2,0,0]=4 7650 B19R1.26149 CC(O)CCNC(=O)CCCCCN1CCCCC1 240690a_200000755665_100012051570 [0,1,0,1,0,0|2,0,0]=4 7651 B19R1.55079 CCCCCCCCCCCC(=NNCC1CC1)C 4a_100000736359_100011216755 [0,1,0,1,0,0|2,0,0]=4 7652 B19R1.55079 CCCCCCCCCCCC(=O)CC#CC1CC1 1458a_100000210736_100009895102 [0,1,0,1,0,0|1,0,1]=4 7653 B19R1.55079 CCCCCCCCCCCC(=O)CCCC1CO1 1458a_100000210736_100000733510 [0,1,0,1,0,0|1,0,0]=3 7654 B19R1.55079 CCCCCCCCCCCC(=O)CSCC1CC1 1458a_200011316215_100011215454 [0,1,0,1,0,0|0,1,0]=3 7655 B19R1.55079 CCCCCCCCCCCC(=O)NCCC1CC1 1626a_100000764129_100000210736 [0,1,0,1,0,0|1,0,0]=3 7656 B19R1.55079 CCCCCCCCCCCC(=O)NCCC1CC1 240690a_100000764129_100000210736 [0,1,0,1,0,0|1,0,0]=3 7657 B19R1.55079 CCCCCCCCCCCC(=O)NN=CC1CC1 4a_200011219152_100000741477 [0,1,0,1,0,0|1,0,1]=4 7658 B19R1.55079 CCCCCCCCCCCC(=O)NNCC1CC1 22a_100000736359_100000210736 [0,1,0,1,0,0|1,0,0]=3 7659 B19R1.55079 CCCCCCCCCCCC(=O)OCNC1CC1 34a_100000212008_100020644155 [0,1,0,1,0,0|0,0,0]=2 7660 B19R1.55079 CCCCCCCCCCCC(C)OCCC1CO1 34a_100011217895_100000732470 [0,1,0,1,0,0|1,0,1]=4 7661 B19R1.55079 CCCCCCCCCCCC(C)OCCC1CO1 7a_100011217895_100000732470 [0,1,0,1,0,0|1,0,1]=4 7662 B19R1.55079 CCCCCCCCCCNC(=O)CSCC1CC1 11a_100000684558_200011316215 [0,1,0,1,0,0|1,1,0]=4 7663 B19R1.55079 CCCCCCCCCCNC(=O)CSCC1CC1 1626a_100000684558_200011316215 [0,1,0,1,0,0|1,1,0]=4 7664 B19R1.55079 CCCCCCCCCCNC(=O)CSCC1CC1 240690a_100000684558_200011316215 [0,1,0,1,0,0|1,1,0]=4 7665 B19R1.55079 CCCCCCCCCCNC(=O)CSCC1CC1 527a_100000684558_200011316215 [0,1,0,1,0,0|1,1,0]=4 7666 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 2708a_100000684558_100000764129 [0,1,0,1,0,0|2,0,0]=4 7667 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 2708a_100000764129_100000684558 [0,1,0,1,0,0|2,0,0]=4 7668 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 273464a_100000684558_100000764129 [0,1,0,1,0,0|2,0,0]=4 7669 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 273464a_100000764129_100000684558 [0,1,0,1,0,0|2,0,0]=4 7670 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 512a_100000684558_100000764129 [0,1,0,1,0,0|2,0,0]=4 7671 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 512a_100000764129_100000684558 [0,1,0,1,0,0|2,0,0]=4 7672 B19R1.55079 CCCCCCCCCCNC(=O)NNCC1CC1 273464a_100000684558_100000736359 [0,1,0,1,0,0|2,0,0]=4 7673 B19R1.55079 CCCCCCCCCCNC(=O)NNCC1CC1 512a_100000684558_100000736359 [0,1,0,1,0,0|2,0,0]=4 7674 B19R1.55079 CCCCCCCCCCNC(=O)NNCC1CC1 512a_100000736359_100000684558 [0,1,0,1,0,0|2,0,0]=4 7675 B19R1.55079 CCCCCCCCCCOC(=O)CNCC1CC1 2230a_100000735609_100000210668 [0,1,0,1,0,0|2,0,0]=4 7676 B19R1.55079 CCCCCCCCCCOC(=O)CNCC1CC1 34a_100000735609_100000210668 [0,1,0,1,0,0|2,0,0]=4 7677 B19R1.55079 CCCCCCCCCCOC(=O)COCC1CC1 34a_100000211283_100000210668 [0,1,0,1,0,0|1,0,0]=3 7678 B19R1.55079 CCCCCCCCCCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000210668 [0,1,0,1,0,0|2,0,0]=4 7679 B19R1.55079 CCCCCCCCCCOC(=O)CSCC1CC1 62a_100000680656_100000742324 [0,1,0,1,0,0|1,1,0]=4 7680 B19R1.55079 CCCCCCCCCCOC(=O)CSCC1CC1 62a_100000756562_100000680656 [0,1,0,1,0,0|1,1,0]=4 7681 B19R1.55079 O=C(CCCCCCCCCCO)CSCC1CC1 1458a_200011316215_100009813290 [0,1,0,1,0,0|1,1,0]=4 7682 B19R1.55079 O=C(CCCCCCCCCCO)NCCC1CC1 240690a_100000764129_200000016029 [0,1,0,1,0,0|2,0,0]=4 7683 B19R1.55079 O=C(CCCCCCCCCCO)NNCC1CC1 22a_100000736359_200000016029 [0,1,0,1,0,0|2,0,0]=4 7684 B19R1.437254 CC(C)CCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100011216857 [0,1,0,1,0,0|2,0,0]=4 7685 B19R1.437254 CC(C)CCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100011216857 [0,1,0,1,0,0|2,0,0]=4 7686 B19R1.437254 CC(C)CCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100011216857 [0,1,0,1,0,0|2,0,0]=4 7687 B19R1.437254 CC(C)CCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100011216857 [0,1,0,1,0,0|2,0,0]=4 7688 B19R1.437254 CC(C)CCNC(=O)NCCC1CCCCCCC1 2708a_100000210545_100011532352 [0,1,0,1,0,0|2,0,0]=4 7689 B19R1.437254 CC(C)CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000210545 [0,1,0,1,0,0|2,0,0]=4 7690 B19R1.437254 CC(C)CCNC(=O)NCCC1CCCCCCC1 273464a_100000210545_100011532352 [0,1,0,1,0,0|2,0,0]=4 7691 B19R1.437254 CC(C)CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000210545 [0,1,0,1,0,0|2,0,0]=4 7692 B19R1.437254 CC(C)CCNC(=O)NCCC1CCCCCCC1 512a_100000210545_100011532352 [0,1,0,1,0,0|2,0,0]=4 7693 B19R1.437254 CC(O)CCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000761597 [0,1,0,1,0,0|2,0,0]=4 7694 B19R1.437254 CC(O)CCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000761597 [0,1,0,1,0,0|2,0,0]=4 7695 B19R1.437254 CC(O)CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_200000755665 [0,1,0,1,0,0|2,0,0]=4 7696 B19R1.437254 CC(O)CCNC(=O)NCCC1CCCCCCC1 273464a_200000755665_100011532352 [0,1,0,1,0,0|2,0,0]=4 7697 B19R1.437254 CC(O)CCNC(=O)NCCC1CCCCCCC1 512a_200000755665_100011532352 [0,1,0,1,0,0|2,0,0]=4 7698 B19R1.499308 CCCCCCCCCCCC(=O)CC1CC1(F)F 1458a_100000138109_100011215454 [0,1,0,1,0,0|2,0,0]=4 7699 B19R1.499308 CCCCCCCCCCCC(=O)CC1CC1(F)F 1458a_100000210736_100009817841 [0,1,0,1,0,0|2,0,0]=4 7700 B19R1.499308 CCCCCCCCCCCC(=O)NC1CC1(F)F 1626a_100020610826_100000210736 [0,1,0,1,0,0|2,0,0]=4 7701 B19R1.499308 CCCCCCCCCCCC(=O)NC1CC1(F)F 240690a_100020610826_100000210736 [0,1,0,1,0,0|2,0,0]=4 7702 B19R1.1519 CCCCCC(=O)COCCCN1CCCCCC1 34a_100102886287_200012276598 [0,1,0,1,0,0|2,0,0]=4 7703 B19R1.1519 CCCCCC(=O)COCCCN1CCCCCC1 7a_100102886287_200012276598 [0,1,0,1,0,0|2,0,0]=4 7704 B19R1.1519 CCCCCC(=O)NCCCCN1CCCCCC1 1626a_100011207362_100000212188 [0,1,0,1,0,0|2,0,0]=4 7705 B19R1.1519 CCCCCC(=O)NCCCCN1CCCCCC1 240690a_100011207362_100000212188 [0,1,0,1,0,0|2,0,0]=4 7706 B19R1.1519 CCCCCC(=O)NCCCCN1CCCCCC1 527a_100011207362_100000212188 [0,1,0,1,0,0|2,0,0]=4 7707 B19R1.1519 CCCCNC(=O)COCCCN1CCCCCC1 34a_100102886287_100000182744 [0,1,0,1,0,0|2,0,0]=4 7708 B19R1.1519 CCCCNC(=O)COCCCN1CCCCCC1 7a_100102886287_100000182744 [0,1,0,1,0,0|2,0,0]=4 7709 B19R1.1519 CCCCNC(=O)NCCCCN1CCCCCC1 2708a_100000102301_100011207362 [0,1,0,1,0,0|2,0,0]=4 7710 B19R1.1519 CCCCNC(=O)NCCCCN1CCCCCC1 2708a_100011207362_100000102301 [0,1,0,1,0,0|2,0,0]=4 7711 B19R1.1519 CCCCNC(=O)NCCCCN1CCCCCC1 273464a_100000102301_100011207362 [0,1,0,1,0,0|2,0,0]=4 7712 B19R1.1519 CCCCNC(=O)NCCCCN1CCCCCC1 273464a_100011207362_100000102301 [0,1,0,1,0,0|2,0,0]=4 7713 B19R1.1519 CCCCNC(=O)NCCCCN1CCCCCC1 512a_100000102301_100011207362 [0,1,0,1,0,0|2,0,0]=4 7714 B19R1.1519 CCCCOC(=O)COCCCN1CCCCCC1 34a_100102886287_100000211628 [0,1,0,1,0,0|1,0,0]=3 7715 B19R1.1519 CCCCOC(=O)COCCCN1CCCCCC1 7a_100102886287_100000211628 [0,1,0,1,0,0|1,0,0]=3 7716 B19R1.1519 COCCOC(=O)COCCCN1CCCCCC1 34a_100102886287_200000040189 [0,1,0,1,0,0|2,0,0]=4 7717 B19R1.1519 COCCOC(=O)COCCCN1CCCCCC1 7a_100102886287_200000040189 [0,1,0,1,0,0|2,0,0]=4 7718 B19R1.54187 CCCCOC(=O)CN1CCCC(C1)CCCOC 2230a_200011934583_100000211628 [0,1,0,1,0,0|2,0,0]=4 7719 B19R1.54187 CCCCOC(=O)CN1CCCC(C1)CCCOC 269982a_200011934583_100000211628 [0,1,0,1,0,0|2,0,0]=4 7720 B19R1.54187 CCCCOC(=O)CN1CCCC(C1)CCCOC 34a_200011934583_100000211628 [0,1,0,1,0,0|2,0,0]=4 7721 B19R1.557986 CCCCOC(=O)CNCCN1C(CCCC1C)C 2230a_100000749955_100000211628 [0,1,0,1,0,0|2,0,0]=4 7722 B19R1.557986 CCCCOC(=O)CNCCN1C(CCCC1C)C 34a_100000749955_100000211628 [0,1,0,1,0,0|2,0,0]=4 7723 B19R1.557986 CCCCOC(=O)COCCN1C(CCCC1C)C 34a_100011305576_100000211628 [0,1,0,1,0,0|2,0,0]=4 7724 B19R1.557986 CCCCOC(=O)COCCN1C(CCCC1C)C 7a_100011305576_100000211628 [0,1,0,1,0,0|2,0,0]=4 7725 B19R1.7171 CCCCOC(=O)COC1CCCCC1NC(C)C 34a_100000692356_100000211628 [0,1,0,1,0,0|2,0,0]=4 7726 B19R1.10512 CCCCOC(=O)CN1CCCCC1CCN(C)C 269982a_100000243220_100000211628 [0,1,0,1,0,0|2,0,0]=4 7727 B19R1.16762 CC(C)CCCCCCCOC1CCCCCC1=O 7a_200000210741_100000243696 [0,1,0,1,0,0|2,0,0]=4 7728 B19R1.16762 CC(C)CCCCCCCOC1CCCCNC1=O 7a_200000210741_100000735217 [0,1,0,1,0,0|2,0,0]=4 7729 B19R1.25736 CC(C)CCCCCCCOCC(=O)N1CCCC1 34a_200000210741_100000183516 [0,1,0,1,0,0|2,0,0]=4 7730 B19R1.25736 CC(C)CCCCCCCOCC(=O)N1CCCC1 7a_200000210741_100000183516 [0,1,0,1,0,0|2,0,0]=4 7731 B19R1.25736 CC(C)CCCCCCNCCC(=O)N1CCCC1 2230a_100000211014_100011194422 [0,1,0,1,0,0|2,0,0]=4 7732 B19R1.25736 CC(C)CCCCCCNCCC(=O)N1CCCC1 34a_100000211014_100011194422 [0,1,0,1,0,0|2,0,0]=4 7733 B19R1.63499 CCCCCC(=O)CN1CCCCCC1CC(C)C 2230a_100000759364_200012276598 [0,1,0,1,0,0|2,0,0]=4 7734 B19R1.63499 CCCCCC(=O)CN1CCCCCC1CC(C)C 269982a_100000759364_200012276598 [0,1,0,1,0,0|2,0,0]=4 7735 B19R1.63499 CCCCCC(=O)CN1CCCCCC1CC(C)C 34a_100000759364_200012276598 [0,1,0,1,0,0|2,0,0]=4 7736 B19R1.63499 CCCCNC(=O)CN1CCCCCC1CC(C)C 2230a_100000759364_100000182744 [0,1,0,1,0,0|2,0,0]=4 7737 B19R1.63499 CCCCNC(=O)CN1CCCCCC1CC(C)C 269982a_100000759364_100000182744 [0,1,0,1,0,0|2,0,0]=4 7738 B19R1.63499 CCCCNC(=O)CN1CCCCCC1CC(C)C 34a_100000759364_100000182744 [0,1,0,1,0,0|2,0,0]=4 7739 B19R1.63499 CCCCOC(=O)CN1CCCCCC1CC(C)C 2230a_100000759364_100000211628 [0,1,0,1,0,0|1,0,0]=3 7740 B19R1.63499 CCCCOC(=O)CN1CCCCCC1CC(C)C 269982a_100000759364_100000211628 [0,1,0,1,0,0|1,0,0]=3 7741 B19R1.63499 CCCCOC(=O)CN1CCCCCC1CC(C)C 34a_100000759364_100000211628 [0,1,0,1,0,0|1,0,0]=3 7742 B19R1.63499 COCCOC(=O)CN1CCCCCC1CC(C)C 2230a_100000759364_200000040189 [0,1,0,1,0,0|2,0,0]=4 7743 B19R1.63499 COCCOC(=O)CN1CCCCCC1CC(C)C 269982a_100000759364_200000040189 [0,1,0,1,0,0|2,0,0]=4 7744 B19R1.63499 COCCOC(=O)CN1CCCCCC1CC(C)C 34a_100000759364_200000040189 [0,1,0,1,0,0|2,0,0]=4 7745 B19R1.1008 C=CCCCCCCCCCC(=O)C1CCCCO1 1458a_100000748299_100009814027 [0,1,0,1,0,0|0,0,2]=4 7746 B19R1.1008 CCCCCCCCCCCC(=O)C1=CCCCC1 1458a_100000765259_100011215454 [0,1,0,1,0,0|1,0,0]=3 7747 B19R1.1008 CCCCCCCCCCCC(=O)C1=CCCCO1 1458a_100000764163_100011215454 [0,1,0,1,0,0|0,0,1]=3 7748 B19R1.1008 CCCCCCCCCCCC(=O)C1=COCCC1 1458a_100000749935_100011215454 [0,1,0,1,0,0|1,0,1]=4 7749 B19R1.1008 CCCCCCCCCCCC(=O)C1=COCCO1 1458a_100000008702_100011215454 [0,1,0,1,0,0|1,0,1]=4 7750 B19R1.1008 CCCCCCCCCCCC(=O)C1C=CCCC1 1458a_100000210736_100000751183 [0,1,0,1,0,0|1,0,1]=4 7751 B19R1.1008 CCCCCCCCCCCC(=O)C1CCCCO1 1458a_100000748299_100011215454 [0,1,0,1,0,0|0,0,0]=2 7752 B19R1.1008 CCCCCCCCCCCC(=O)C1CCCOC1 1458a_100000210736_100000693364 [0,1,0,1,0,0|1,0,0]=3 7753 B19R1.1008 CCCCCCCCCCCC(=O)C1CCCOC1 1458a_100000741522_100011215454 [0,1,0,1,0,0|1,0,0]=3 7754 B19R1.1008 CCCCCCCCCCCC(=O)C1CCOCC1 1458a_100000195482_100011215454 [0,1,0,1,0,0|1,0,0]=3 7755 B19R1.1008 CCCCCCCCCCCC(=O)C1CCOCC1 1458a_100000210736_100011324220 [0,1,0,1,0,0|1,0,0]=3 7756 B19R1.1008 CCCCCCCCCCCC(=O)C1CCSCC1 1458a_100000755232_100011215454 [0,1,0,1,0,0|1,0,0]=3 7757 B19R1.1008 CCCCCCCCCCCC(=O)C1COCCO1 1458a_100000045528_100011215454 [0,1,0,1,0,0|1,0,0]=3 7758 B19R1.1008 CCCCCCCCCCCC(=O)C1SCCCS1 1458a_100000028545_100011215454 [0,1,0,1,0,0|1,1,0]=4 7759 B19R1.1008 CCCCCCCCCCCC(=O)N1CC=CCC1 11a_100000698166_100000210736 [0,1,0,1,0,0|1,0,1]=4 7760 B19R1.1008 CCCCCCCCCCCC(=O)N1CC=CCC1 1626a_100000698166_100000210736 [0,1,0,1,0,0|1,0,1]=4 7761 B19R1.1008 CCCCCCCCCCCC(=O)N1CC=CCC1 240690a_100000698166_100000210736 [0,1,0,1,0,0|1,0,1]=4 7762 B19R1.1008 CCCCCCCCCCCC(=O)N1CCCOC1 11a_100000131196_100000210736 [0,1,0,1,0,0|1,0,0]=3 7763 B19R1.1008 CCCCCCCCCCCC(=O)N1CCCOC1 240690a_100000131196_100000210736 [0,1,0,1,0,0|1,0,0]=3 7764 B19R1.1008 CCCCCCCCCCCC(=O)N1CCOCC1 11a_100015191051_100000210736 [0,1,0,1,0,0|1,0,0]=3 7765 B19R1.1008 CCCCCCCCCCCC(=O)N1CCOCC1 1626a_100015191051_100000210736 [0,1,0,1,0,0|1,0,0]=3 7766 B19R1.1008 CCCCCCCCCCCC(=O)N1CCOCC1 240690a_100015191051_100000210736 [0,1,0,1,0,0|1,0,0]=3 7767 B19R1.1008 CCCCCCCCCCCC(=O)N1CCSCC1 11a_100000737611_100000210736 [0,1,0,1,0,0|1,0,0]=3 7768 B19R1.1008 CCCCCCCCCCCC(=O)N1CCSCC1 240690a_100000737611_100000210736 [0,1,0,1,0,0|1,0,0]=3 7769 B19R1.1008 CCCCCCCCCCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100011215454 [0,1,0,1,0,0|1,0,1]=4 7770 B19R1.1008 CCCCCCCCCCNC(=O)C1=CCCCC1 11a_100000684558_100000765259 [0,1,0,1,0,0|2,0,0]=4 7771 B19R1.1008 CCCCCCCCCCNC(=O)C1=CCCCC1 1626a_100000684558_100000765259 [0,1,0,1,0,0|2,0,0]=4 7772 B19R1.1008 CCCCCCCCCCNC(=O)C1=CCCCC1 240690a_100000684558_100000765259 [0,1,0,1,0,0|2,0,0]=4 7773 B19R1.1008 CCCCCCCCCCNC(=O)C1=CCCCC1 527a_100000684558_100000765259 [0,1,0,1,0,0|2,0,0]=4 7774 B19R1.1008 CCCCCCCCCCNC(=O)C1=CCCCO1 11a_100000684558_100000764163 [0,1,0,1,0,0|1,0,1]=4 7775 B19R1.1008 CCCCCCCCCCNC(=O)C1=CCCCO1 1626a_100000684558_100000764163 [0,1,0,1,0,0|1,0,1]=4 7776 B19R1.1008 CCCCCCCCCCNC(=O)C1=CCCCO1 240690a_100000684558_100000764163 [0,1,0,1,0,0|1,0,1]=4 7777 B19R1.1008 CCCCCCCCCCNC(=O)C1=CCCCO1 527a_100000684558_100000764163 [0,1,0,1,0,0|1,0,1]=4 7778 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCC1 11a_100000684558_100000210647 [0,1,0,1,0,0|2,0,0]=4 7779 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCC1 1626a_100000684558_100000210647 [0,1,0,1,0,0|2,0,0]=4 7780 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCC1 240690a_100000684558_100000210647 [0,1,0,1,0,0|2,0,0]=4 7781 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCC1 527a_100000684558_100000210647 [0,1,0,1,0,0|2,0,0]=4 7782 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCO1 11a_100000684558_100000748299 [0,1,0,1,0,0|1,0,0]=3 7783 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCO1 1626a_100000684558_100000748299 [0,1,0,1,0,0|1,0,0]=3 7784 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCO1 240690a_100000684558_100000748299 [0,1,0,1,0,0|1,0,0]=3 7785 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCCO1 527a_100000684558_100000748299 [0,1,0,1,0,0|1,0,0]=3 7786 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCOC1 11a_100000684558_100000741522 [0,1,0,1,0,0|2,0,0]=4 7787 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCOC1 1626a_100000684558_100000741522 [0,1,0,1,0,0|2,0,0]=4 7788 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCOC1 240690a_100000684558_100000741522 [0,1,0,1,0,0|2,0,0]=4 7789 B19R1.1008 CCCCCCCCCCNC(=O)C1CCCOC1 527a_100000684558_100000741522 [0,1,0,1,0,0|2,0,0]=4 7790 B19R1.1008 CCCCCCCCCCNC(=O)C1CCOCC1 11a_100000684558_100000195482 [0,1,0,1,0,0|2,0,0]=4 7791 B19R1.1008 CCCCCCCCCCNC(=O)C1CCOCC1 1626a_100000684558_100000195482 [0,1,0,1,0,0|2,0,0]=4 7792 B19R1.1008 CCCCCCCCCCNC(=O)C1CCOCC1 240690a_100000684558_100000195482 [0,1,0,1,0,0|2,0,0]=4 7793 B19R1.1008 CCCCCCCCCCNC(=O)C1CCOCC1 527a_100000684558_100000195482 [0,1,0,1,0,0|2,0,0]=4 7794 B19R1.1008 CCCCCCCCCCNC(=O)C1CCSCC1 11a_100000684558_100000755232 [0,1,0,1,0,0|2,0,0]=4 7795 B19R1.1008 CCCCCCCCCCNC(=O)C1CCSCC1 1626a_100000684558_100000755232 [0,1,0,1,0,0|2,0,0]=4 7796 B19R1.1008 CCCCCCCCCCNC(=O)C1CCSCC1 240690a_100000684558_100000755232 [0,1,0,1,0,0|2,0,0]=4 7797 B19R1.1008 CCCCCCCCCCNC(=O)C1CCSCC1 527a_100000684558_100000755232 [0,1,0,1,0,0|2,0,0]=4 7798 B19R1.1008 CCCCCCCCCCNC(=O)C1COCCO1 11a_100000684558_100000045528 [0,1,0,1,0,0|2,0,0]=4 7799 B19R1.1008 CCCCCCCCCCNC(=O)C1COCCO1 1626a_100000684558_100000045528 [0,1,0,1,0,0|2,0,0]=4 7800 B19R1.1008 CCCCCCCCCCNC(=O)C1COCCO1 240690a_100000684558_100000045528 [0,1,0,1,0,0|2,0,0]=4 7801 B19R1.1008 CCCCCCCCCCNC(=O)C1COCCO1 527a_100000684558_100000045528 [0,1,0,1,0,0|2,0,0]=4 7802 B19R1.1008 CCCCCCCCCCNC(=O)N1CCCOC1 2708a_100000684558_100000131196 [0,1,0,1,0,0|2,0,0]=4 7803 B19R1.1008 CCCCCCCCCCNC(=O)N1CCCOC1 273464a_100000684558_100000131196 [0,1,0,1,0,0|2,0,0]=4 7804 B19R1.1008 CCCCCCCCCCNC(=O)N1CCOCC1 2708a_100000684558_100015191051 [0,1,0,1,0,0|2,0,0]=4 7805 B19R1.1008 CCCCCCCCCCNC(=O)N1CCOCC1 273464a_100000684558_100015191051 [0,1,0,1,0,0|2,0,0]=4 7806 B19R1.1008 CCCCCCCCCCNC(=O)N1CCSCC1 2708a_100000684558_100000737611 [0,1,0,1,0,0|2,0,0]=4 7807 B19R1.1008 CCCCCCCCCCNC(=O)N1CCSCC1 273464a_100000684558_100000737611 [0,1,0,1,0,0|2,0,0]=4 7808 B19R1.1008 CCCCCCCCCNCC(=O)C1CCCCC1 2230a_100000212291_100000241979 [0,1,0,1,0,0|2,0,0]=4 7809 B19R1.1008 CCCCCCCCCNCC(=O)C1CCCCC1 34a_100000212291_100000241979 [0,1,0,1,0,0|2,0,0]=4 7810 B19R1.1008 CCCCCCCCCNCC(=O)C1CCOCC1 2230a_100000212291_100000689883 [0,1,0,1,0,0|2,0,0]=4 7811 B19R1.1008 CCCCCCCCCNCC(=O)C1CCOCC1 34a_100000212291_100000689883 [0,1,0,1,0,0|2,0,0]=4 7812 B19R1.1008 CCCCCCCCCNCC(=O)N1CCCCC1 2230a_100000212291_100000183409 [0,1,0,1,0,0|2,0,0]=4 7813 B19R1.1008 CCCCCCCCCNCC(=O)N1CCCCC1 2230a_100000751303_100011214924 [0,1,0,1,0,0|2,0,0]=4 7814 B19R1.1008 CCCCCCCCCNCC(=O)N1CCCCC1 34a_100000212291_100000183409 [0,1,0,1,0,0|2,0,0]=4 7815 B19R1.1008 CCCCCCCCCNCC(=O)N1CCOCC1 2230a_100000212291_100000183410 [0,1,0,1,0,0|2,0,0]=4 7816 B19R1.1008 CCCCCCCCCNCC(=O)N1CCOCC1 2230a_100000697423_100011214924 [0,1,0,1,0,0|2,0,0]=4 7817 B19R1.1008 CCCCCCCCCNCC(=O)N1CCOCC1 34a_100000212291_100000183410 [0,1,0,1,0,0|2,0,0]=4 7818 B19R1.1008 CCCCCCCCCOCC(=O)C1CCCCC1 34a_100000210712_100000241979 [0,1,0,1,0,0|2,0,0]=4 7819 B19R1.1008 CCCCCCCCCOCC(=O)C1CCCCC1 7a_100000210712_100000241979 [0,1,0,1,0,0|2,0,0]=4 7820 B19R1.1008 CCCCCCCCCOCC(=O)C1CCOCC1 34a_100000210712_100000689883 [0,1,0,1,0,0|2,0,0]=4 7821 B19R1.1008 CCCCCCCCCOCC(=O)C1CCOCC1 7a_100000210712_100000689883 [0,1,0,1,0,0|2,0,0]=4 7822 B19R1.1008 CCCCCCCCCOCC(=O)N1CCCCC1 34a_100000210712_100000183409 [0,1,0,1,0,0|2,0,0]=4 7823 B19R1.1008 CCCCCCCCCOCC(=O)N1CCCCC1 7a_100000210712_100000183409 [0,1,0,1,0,0|2,0,0]=4 7824 B19R1.1008 CCCCCCCCCOCC(=O)N1CCCCC1 7a_100011315646_100000210328 [0,1,0,1,0,0|2,0,0]=4 7825 B19R1.1008 CCCCCCCCCOCC(=O)N1CCOCC1 34a_100000210712_100000183410 [0,1,0,1,0,0|2,0,0]=4 7826 B19R1.1008 CCCCCCCCCOCC(=O)N1CCOCC1 7a_100000210712_100000183410 [0,1,0,1,0,0|2,0,0]=4 7827 B19R1.1008 CCCCCCCCCOCC(=O)N1CCOCC1 7a_100000752472_100000210328 [0,1,0,1,0,0|2,0,0]=4 7828 B19R1.1008 CCCCCCCCCSCC(=O)C1CCCCC1 62a_100000241979_100000210670 [0,1,0,1,0,0|2,0,0]=4 7829 B19R1.1008 CCCCCCCCCSCC(=O)C1CCOCC1 62a_100000689883_100000210670 [0,1,0,1,0,0|2,0,0]=4 7830 B19R1.1008 CCCCCCCCCSCC(=O)N1CCCCC1 62a_100000183409_100000210670 [0,1,0,1,0,0|2,0,0]=4 7831 B19R1.1008 CCCCCCCCCSCC(=O)N1CCOCC1 62a_100000183410_100000210670 [0,1,0,1,0,0|2,0,0]=4 7832 B19R1.1008 CCCCCCCCNCCC(=O)N1CCCCC1 2230a_100000229939_100102558178 [0,1,0,1,0,0|2,0,0]=4 7833 B19R1.1008 CCCCCCCCNCCC(=O)N1CCCCC1 34a_100000229939_100102558178 [0,1,0,1,0,0|2,0,0]=4 7834 B19R1.1008 CCCCCCCCNCCC(=O)N1CCOCC1 2230a_100000229939_100000739706 [0,1,0,1,0,0|2,0,0]=4 7835 B19R1.1008 CCCCCCCCNCCC(=O)N1CCOCC1 2230a_100000735667_100000210759 [0,1,0,1,0,0|2,0,0]=4 7836 B19R1.1008 CCCCCCCCOCCC(=O)N1CCCCC1 34a_100000210232_100102558178 [0,1,0,1,0,0|2,0,0]=4 7837 B19R1.1008 CCCCCCCCOCCC(=O)N1CCCCC1 7a_100000210232_100102558178 [0,1,0,1,0,0|2,0,0]=4 7838 B19R1.1008 CCCCCCCCOCCC(=O)N1CCOCC1 7a_100000210232_100000739706 [0,1,0,1,0,0|2,0,0]=4 7839 B19R1.1008 CCCCCCCCSCCC(=O)N1CCCCC1 62a_100000210759_100102558178 [0,1,0,1,0,0|2,0,0]=4 7840 B19R1.1008 CCCCCCCCSCCC(=O)N1CCCCC1 62a_100102558178_100000210317 [0,1,0,1,0,0|2,0,0]=4 7841 B19R1.1008 CCCCCCCCSCCC(=O)N1CCOCC1 62a_100000210759_100000739706 [0,1,0,1,0,0|2,0,0]=4 7842 B19R1.1008 CCCCCCCCSCCC(=O)N1CCOCC1 62a_100000739706_100000210317 [0,1,0,1,0,0|2,0,0]=4 7843 B19R1.1008 O=C(CCCCCCCCCCO)C1=CCCCC1 1458a_100000765259_100009813290 [0,1,0,1,0,0|2,0,0]=4 7844 B19R1.1008 O=C(CCCCCCCCCCO)C1=CCCCO1 1458a_100000764163_100009813290 [0,1,0,1,0,0|1,0,1]=4 7845 B19R1.1008 O=C(CCCCCCCCCCO)C1CCCCC1 1458a_100000210647_100009813290 [0,1,0,1,0,0|2,0,0]=4 7846 B19R1.1008 O=C(CCCCCCCCCCO)C1CCCCO1 1458a_100000748299_100009813290 [0,1,0,1,0,0|1,0,0]=3 7847 B19R1.1008 O=C(CCCCCCCCCCO)C1CCCOC1 1458a_100000741522_100009813290 [0,1,0,1,0,0|2,0,0]=4 7848 B19R1.1008 O=C(CCCCCCCCCCO)C1CCOCC1 1458a_100000195482_100009813290 [0,1,0,1,0,0|2,0,0]=4 7849 B19R1.1008 O=C(CCCCCCCCCCO)C1CCSCC1 1458a_100000755232_100009813290 [0,1,0,1,0,0|2,0,0]=4 7850 B19R1.1008 O=C(CCCCCCCCCCO)C1COCCO1 1458a_100000045528_100009813290 [0,1,0,1,0,0|2,0,0]=4 7851 B19R1.1008 O=C(CCCCCCCCCCO)N1CCCOC1 240690a_100000131196_200000016029 [0,1,0,1,0,0|2,0,0]=4 7852 B19R1.1008 O=C(CCCCCCCCCCO)N1CCOCC1 240690a_100015191051_200000016029 [0,1,0,1,0,0|2,0,0]=4 7853 B19R1.1008 O=C(CCCCCCCCCCO)N1CCSCC1 240690a_100000737611_200000016029 [0,1,0,1,0,0|2,0,0]=4 7854 B19R1.1008 O=C(NCCCCCCCCCO)C1CCCCO1 240690a_100000078944_100000748299 [0,1,0,1,0,0|2,0,0]=4 7855 B19R1.4858 CCCCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210757 [0,1,0,1,0,0|2,0,0]=4 7856 B19R1.4858 CCCCCNC(=O)CCCCCN1CCCCC1 11a_100000209983_100012051570 [0,1,0,1,0,0|2,0,0]=4 7857 B19R1.4858 CCCCCNC(=O)CCCCCN1CCCCC1 240690a_100000209983_100012051570 [0,1,0,1,0,0|2,0,0]=4 7858 B19R1.4858 CCCCCNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000230301 [0,1,0,1,0,0|2,0,0]=4 7859 B19R1.4858 CCCCCNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000230301 [0,1,0,1,0,0|2,0,0]=4 7860 B19R1.4858 CCCCCNC(=O)COCCCC1CCCCC1 34a_100000198086_100000230301 [0,1,0,1,0,0|2,0,0]=4 7861 B19R1.4858 CCCCCNC(=O)COCCCC1CCCCC1 7a_100000198086_100000230301 [0,1,0,1,0,0|2,0,0]=4 7862 B19R1.4858 CCCCCNC(=O)CSCCCC1CCCCC1 62a_100000230301_100011713725 [0,1,0,1,0,0|2,0,0]=4 7863 B19R1.4858 CCCCCNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000230301 [0,1,0,1,0,0|2,0,0]=4 7864 B19R1.4858 CCCCNNC(=O)CCCCCN1CCCCC1 22a_100025702795_100012051570 [0,1,0,1,0,0|2,0,0]=4 7865 B19R1.4858 CCCCOCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011995733 [0,1,0,1,0,0|1,0,0]=3 7866 B19R1.4858 CCCCOCC(=O)CCCCCN1CCOCC1 1458a_100012051560_100011995733 [0,1,0,1,0,0|2,0,0]=4 7867 B19R1.4858 CCCCOCC(=O)CCCCOC1CCCCO1 1458a_100000757543_100000031530 [0,1,0,1,0,0|2,0,0]=4 7868 B19R1.4858 CCCCOCC(=O)NCCCCN1CCCCC1 240690a_200011207366_100000757543 [0,1,0,1,0,0|2,0,0]=4 7869 B19R1.4858 CCCCOCC(=O)NCCCOC1CCCCC1 11a_100000205933_100000757543 [0,1,0,1,0,0|2,0,0]=4 7870 B19R1.4858 CCCCOCC(=O)NCCCOC1CCCCC1 1626a_100000205933_100000757543 [0,1,0,1,0,0|2,0,0]=4 7871 B19R1.4858 CCCCOCC(=O)NCCCOC1CCCCC1 240690a_100000205933_100000757543 [0,1,0,1,0,0|2,0,0]=4 7872 B19R1.4858 CCCCOCC(=O)NCCCOC1CCCCC1 34a_100000210227_100000742070 [0,1,0,1,0,0|2,0,0]=4 7873 B19R1.4858 CCCCOCC(=O)NCCCOC1CCCCC1 527a_100000205933_100000757543 [0,1,0,1,0,0|2,0,0]=4 7874 B19R1.4858 CCCCOCC(=O)NCCCOC1CCCCC1 7a_100000210227_100000742070 [0,1,0,1,0,0|2,0,0]=4 7875 B19R1.4858 CCCOCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011215938 [0,1,0,1,0,0|2,0,0]=4 7876 B19R1.4858 CCOCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100012232248 [0,1,0,1,0,0|2,0,0]=4 7877 B19R1.4858 CCOCCNC(=O)CCCCCN1CCCCC1 11a_100011200944_100012051570 [0,1,0,1,0,0|2,0,0]=4 7878 B19R1.4858 CCOCCNC(=O)CCCCCN1CCCCC1 240690a_100011200944_100012051570 [0,1,0,1,0,0|2,0,0]=4 7879 B19R1.4858 CCOCCOC(=O)CNCCCC1CCCCC1 2230a_100011211642_200000101388 [0,1,0,1,0,0|1,0,0]=3 7880 B19R1.4858 CCOCCOC(=O)CNCCCC1CCCCC1 34a_100011211642_200000101388 [0,1,0,1,0,0|1,0,0]=3 7881 B19R1.4858 CCOCCOC(=O)CNCCOC1CCCCC1 34a_100015206981_200000101388 [0,1,0,1,0,0|2,0,0]=4 7882 B19R1.4858 CCOCCOC(=O)COCCCC1CCCCC1 34a_100000198086_200000101388 [0,1,0,1,0,0|1,0,0]=3 7883 B19R1.4858 CCOCCOC(=O)COCCCC1CCCCC1 7a_100000198086_200000101388 [0,1,0,1,0,0|1,0,0]=3 7884 B19R1.4858 CCOCCOC(=O)COCCCC1CCCCN1 34a_100011934581_200000101388 [0,1,0,1,0,0|2,0,0]=4 7885 B19R1.4858 CCOCCOC(=O)COCCCC1CCCNC1 34a_100150707839_200000101388 [0,1,0,1,0,0|2,0,0]=4 7886 B19R1.4858 CCOCCOC(=O)COCCCC1CCNCC1 34a_100016988962_200000101388 [0,1,0,1,0,0|2,0,0]=4 7887 B19R1.4858 CCOCCOC(=O)COCCCN1CCCCC1 34a_100000212458_200000101388 [0,1,0,1,0,0|2,0,0]=4 7888 B19R1.4858 CCOCCOC(=O)COCCNC1CCCCC1 34a_100000200466_200000101388 [0,1,0,1,0,0|2,0,0]=4 7889 B19R1.4858 CCOCCOC(=O)COCCOC1CCCCC1 34a_100011249652_200000101388 [0,1,0,1,0,0|2,0,0]=4 7890 B19R1.4858 CCOCCOC(=O)COCCOC1CCCCC1 7a_100011249652_200000101388 [0,1,0,1,0,0|2,0,0]=4 7891 B19R1.4858 CCOCCOC(=O)CSCCCC1CCCCC1 62a_100011713725_200000101388 [0,1,0,1,0,0|1,0,0]=3 7892 B19R1.4858 CCOCCOC(=O)CSCCCC1CCCCC1 62a_200000101388_100011713725 [0,1,0,1,0,0|1,0,0]=3 7893 B19R1.4858 CCOCCOC(=O)CSCCCN1CCCCC1 62a_100132302099_200000101388 [0,1,0,1,0,0|2,0,0]=4 7894 B19R1.4858 CCOCCOC(=O)CSCCCN1CCCCC1 62a_200000101388_100000007876 [0,1,0,1,0,0|2,0,0]=4 7895 B19R1.4858 CCOCCOC(=O)CSCCOC1CCCCC1 62a_100011211530_200000101388 [0,1,0,1,0,0|2,0,0]=4 7896 B19R1.4858 CCOCCOC(=O)CSCCOC1CCCCC1 62a_200000101388_100011211530 [0,1,0,1,0,0|2,0,0]=4 7897 B19R1.4858 CCSCCNC(=O)CCCCCN1CCCCC1 11a_100000106463_100012051570 [0,1,0,1,0,0|2,0,0]=4 7898 B19R1.4858 CCSCCNC(=O)CCCCCN1CCCCC1 240690a_100000106463_100012051570 [0,1,0,1,0,0|2,0,0]=4 7899 B19R1.4858 COCCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000755781 [0,1,0,1,0,0|2,0,0]=4 7900 B19R1.4858 COCCCNC(=O)CCCCCN1CCCCC1 240690a_100150723488_100012051570 [0,1,0,1,0,0|2,0,0]=4 7901 B19R1.4858 COCCCNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183178 [0,1,0,1,0,0|2,0,0]=4 7902 B19R1.4858 COCCCNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183178 [0,1,0,1,0,0|2,0,0]=4 7903 B19R1.4858 COCCCNC(=O)COCCCC1CCCCC1 34a_100000198086_100000183178 [0,1,0,1,0,0|2,0,0]=4 7904 B19R1.4858 COCCCNC(=O)COCCCC1CCCCC1 7a_100000198086_100000183178 [0,1,0,1,0,0|2,0,0]=4 7905 B19R1.4858 COCCCNC(=O)CSCCCC1CCCCC1 62a_100000183178_100011713725 [0,1,0,1,0,0|2,0,0]=4 7906 B19R1.4858 CSCCCNC(=O)CCCCCN1CCCCC1 11a_100000749238_100012051570 [0,1,0,1,0,0|2,0,0]=4 7907 B19R1.4858 CSCCCNC(=O)CCCCCN1CCCCC1 240690a_100000749238_100012051570 [0,1,0,1,0,0|2,0,0]=4 7908 B19R1.4858 O=C(CCCCCF)CCCCCN1CCCCC1 1458a_100012051570_100000729378 [0,1,0,1,0,0|2,0,0]=4 7909 B19R1.4858 O=C(CCCCCN1CCCCC1)NCCCCO 240690a_100000750430_100012051570 [0,1,0,1,0,0|2,0,0]=4 7910 B19R1.4858 O=C(CCCCCO)CCCCCN1CCCCC1 1458a_100012051570_100000746330 [0,1,0,1,0,0|2,0,0]=4 7911 B19R1.4875 CCCCOCC(=O)NCCN1CCCCC1CC 11a_100000755458_100000757543 [0,1,0,1,0,0|2,0,0]=4 7912 B19R1.4875 CCCCOCC(=O)NCCN1CCCCC1CC 1626a_100000755458_100000757543 [0,1,0,1,0,0|2,0,0]=4 7913 B19R1.4875 CCCCOCC(=O)NCCN1CCCCC1CC 240690a_100000755458_100000757543 [0,1,0,1,0,0|2,0,0]=4 7914 B19R1.4875 CCCCOCC(=O)NCCN1CCCCC1CC 527a_100000755458_100000757543 [0,1,0,1,0,0|2,0,0]=4 7915 B19R1.4875 CCOCCOC(=O)CNCC1CCCCN1CC 2230a_100000754393_200000101388 [0,1,0,1,0,0|2,0,0]=4 7916 B19R1.4875 CCOCCOC(=O)CNCC1CCCCN1CC 34a_100000754393_200000101388 [0,1,0,1,0,0|2,0,0]=4 7917 B19R1.4875 CCOCCOC(=O)COCC1CCCCN1CC 34a_100000225091_200000101388 [0,1,0,1,0,0|2,0,0]=4 7918 B19R1.4875 CCOCCOC(=O)COCC1CCCCN1CC 7a_100000225091_200000101388 [0,1,0,1,0,0|2,0,0]=4 7919 B19R1.4876 CCCCOCC(=O)NCCCCCN1CCCC1 1626a_100011491779_100000757543 [0,1,0,1,0,0|2,0,0]=4 7920 B19R1.4876 CCCCOCC(=O)NCCCCCN1CCCC1 240690a_100011491779_100000757543 [0,1,0,1,0,0|2,0,0]=4 7921 B19R1.4876 CCOCCOC(=O)CNCCCOC1CCCC1 34a_100000747560_200000101388 [0,1,0,1,0,0|2,0,0]=4 7922 B19R1.4887 CCCCOCC(=O)N1CCCCC1CCCOC 11a_100011804088_100000757543 [0,1,0,1,0,0|2,0,0]=4 7923 B19R1.4887 CCCCOCC(=O)N1CCCCC1CCCOC 1626a_100011804088_100000757543 [0,1,0,1,0,0|2,0,0]=4 7924 B19R1.4887 CCCCOCC(=O)N1CCCCC1CCCOC 240690a_100011804088_100000757543 [0,1,0,1,0,0|2,0,0]=4 7925 B19R1.4887 CCCCOCC(=O)N1CCCCC1CCCOC 527a_100011804088_100000757543 [0,1,0,1,0,0|2,0,0]=4 7926 B19R1.7420 CCOCCOC(=O)CN1CCCCC1CCCO 2230a_100011934581_200000101388 [0,1,0,1,0,0|2,0,0]=4 7927 B19R1.7420 CCOCCOC(=O)CN1CCCCC1CCCO 269982a_100011934581_200000101388 [0,1,0,1,0,0|2,0,0]=4 7928 B19R1.7420 CCOCCOC(=O)CN1CCCCC1CCCO 34a_100011934581_200000101388 [0,1,0,1,0,0|2,0,0]=4 7929 B19R1.7420 CCOCCOC(=O)CN1CCCCC1CCOC 2230a_100015186528_200000101388 [0,1,0,1,0,0|2,0,0]=4 7930 B19R1.7420 CCOCCOC(=O)CN1CCCCC1CCOC 269982a_100015186528_200000101388 [0,1,0,1,0,0|2,0,0]=4 7931 B19R1.7420 CCOCCOC(=O)CN1CCCCC1CCOC 34a_100015186528_200000101388 [0,1,0,1,0,0|2,0,0]=4 7932 B19R1.29358 CCCCCCC(C)CCOC1CCCCCC1=O 7a_200011024964_100000243696 [0,1,0,1,0,0|2,0,0]=4 7933 B19R1.29358 CCCCCCC(C)CCOC1CCCCNC1=O 7a_200011024964_100000735217 [0,1,0,1,0,0|2,0,0]=4 7934 B19R1.29359 CCCCOCC(=O)NCCCN1CCCCC1C 240690a_100000212276_100000757543 [0,1,0,1,0,0|2,0,0]=4 7935 B19R1.29359 CCCCOCC(=O)NCCCN1CCCCC1C 527a_100000212276_100000757543 [0,1,0,1,0,0|2,0,0]=4 7936 B19R1.29359 CCCCOCC(=O)NCCOC1CCCCC1C 34a_100000210227_100000048872 [0,1,0,1,0,0|2,0,0]=4 7937 B19R1.29359 CCCCOCC(=O)NCCOC1CCCCC1C 7a_100000210227_100000048872 [0,1,0,1,0,0|2,0,0]=4 7938 B19R1.29359 CCOCCOC(=O)CNCCN1CCCCC1C 2230a_100000739827_200000101388 [0,1,0,1,0,0|2,0,0]=4 7939 B19R1.29359 CCOCCOC(=O)CNCCN1CCCCC1C 34a_100000739827_200000101388 [0,1,0,1,0,0|2,0,0]=4 7940 B19R1.29359 CCOCCOC(=O)COCCN1CCCCC1C 34a_100011305533_200000101388 [0,1,0,1,0,0|2,0,0]=4 7941 B19R1.29359 CCOCCOC(=O)CSCCC1CCCCN1C 62a_100000211948_200000101388 [0,1,0,1,0,0|2,0,0]=4 7942 B19R1.29359 CCOCCOC(=O)CSCCC1CCCCN1C 62a_200000101388_100000211948 [0,1,0,1,0,0|2,0,0]=4 7943 B19R1.29384 CCCC1CCCCC1OCC(=O)NCCCOC 34a_100011217265_100000183178 [0,1,0,1,0,0|2,0,0]=4 7944 B19R1.29384 CCCC1CCCCC1OCC(=O)NCCCOC 7a_100011217265_100000183178 [0,1,0,1,0,0|2,0,0]=4 7945 B19R1.29384 CCCC1CCCCC1OCC(=O)OCCOCC 34a_100011217265_200000101388 [0,1,0,1,0,0|1,0,0]=3 7946 B19R1.29384 CCCC1CCCCC1OCC(=O)OCCOCC 7a_100011217265_200000101388 [0,1,0,1,0,0|1,0,0]=3 7947 B19R1.29384 CCCCCNC(=O)COC1CCCCC1CCC 34a_100011217265_100000230301 [0,1,0,1,0,0|2,0,0]=4 7948 B19R1.29384 CCCCCNC(=O)COC1CCCCC1CCC 7a_100011217265_100000230301 [0,1,0,1,0,0|2,0,0]=4 7949 B19R1.55078 CCCCCCCCCCCC(=NNC1CCC1)C 4a_100000736358_100011216755 [0,1,0,1,0,0|2,0,0]=4 7950 B19R1.55078 CCCCCCCCCCCC(=O)NCC1CCC1 11a_100000738700_100000210736 [0,1,0,1,0,0|1,0,0]=3 7951 B19R1.55078 CCCCCCCCCCCC(=O)NCC1CCC1 1626a_100000738700_100000210736 [0,1,0,1,0,0|1,0,0]=3 7952 B19R1.55078 CCCCCCCCCCCC(=O)NCC1CCC1 240690a_100000738700_100000210736 [0,1,0,1,0,0|1,0,0]=3 7953 B19R1.55078 CCCCCCCCCCCC(=O)NCC1COC1 11a_100015281925_100000210736 [0,1,0,1,0,0|1,0,0]=3 7954 B19R1.55078 CCCCCCCCCCCC(=O)NCC1COC1 1626a_100015281925_100000210736 [0,1,0,1,0,0|1,0,0]=3 7955 B19R1.55078 CCCCCCCCCCCC(=O)NCC1COC1 240690a_100015281925_100000210736 [0,1,0,1,0,0|1,0,0]=3 7956 B19R1.55078 CCCCCCCCCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210736 [0,1,0,1,0,0|1,0,0]=3 7957 B19R1.55078 CCCCCCCCCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210736 [0,1,0,1,0,0|1,0,0]=3 7958 B19R1.55078 CCCCCCCCCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210736 [0,1,0,1,0,0|1,0,0]=3 7959 B19R1.55078 CCCCCCCCCCCC(=O)NN=C1CCC1 4a_200011219152_100000241760 [0,1,0,1,0,0|1,0,1]=4 7960 B19R1.55078 CCCCCCCCCCCC(=O)NNC1CCC1 22a_100000736358_100000210736 [0,1,0,1,0,0|1,0,0]=3 7961 B19R1.55078 CCCCCCCCCCCC(=O)NNC1COC1 22a_100015188821_100000210736 [0,1,0,1,0,0|2,0,0]=4 7962 B19R1.55078 CCCCCCCCCCCC(=O)OCN1CCC1 269982a_100000754969_100020644155 [0,1,0,1,0,0|0,0,0]=2 7963 B19R1.55078 CCCCCCCCCCCC(C)OCC1CCO1 34a_100011217895_100000103362 [0,1,0,1,0,0|1,0,1]=4 7964 B19R1.55078 CCCCCCCCCCCC(C)OCC1CCO1 7a_100011217895_100000103362 [0,1,0,1,0,0|1,0,1]=4 7965 B19R1.55078 CCCCCCCCCCCC(C)OCC1COC1 34a_100011217895_100010264016 [0,1,0,1,0,0|1,0,1]=4 7966 B19R1.55078 CCCCCCCCCCCC(C)OCC1COC1 7a_100011217895_100010264016 [0,1,0,1,0,0|1,0,1]=4 7967 B19R1.55078 CCCCCCCCCCNC(=O)NCC1CCC1 2708a_100000684558_100000738700 [0,1,0,1,0,0|2,0,0]=4 7968 B19R1.55078 CCCCCCCCCCNC(=O)NCC1CCC1 2708a_100000738700_100000684558 [0,1,0,1,0,0|2,0,0]=4 7969 B19R1.55078 CCCCCCCCCCNC(=O)NCC1CCC1 273464a_100000684558_100000738700 [0,1,0,1,0,0|2,0,0]=4 7970 B19R1.55078 CCCCCCCCCCNC(=O)NCC1CCC1 273464a_100000738700_100000684558 [0,1,0,1,0,0|2,0,0]=4 7971 B19R1.55078 CCCCCCCCCCNC(=O)NCC1CCC1 512a_100000684558_100000738700 [0,1,0,1,0,0|2,0,0]=4 7972 B19R1.55078 CCCCCCCCCCNC(=O)NCC1CCC1 512a_100000738700_100000684558 [0,1,0,1,0,0|2,0,0]=4 7973 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 2708a_100000684558_100015281925 [0,1,0,1,0,0|2,0,0]=4 7974 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 2708a_100015281925_100000684558 [0,1,0,1,0,0|2,0,0]=4 7975 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 273464a_100000684558_100015281925 [0,1,0,1,0,0|2,0,0]=4 7976 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 273464a_100015281925_100000684558 [0,1,0,1,0,0|2,0,0]=4 7977 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 512a_100000684558_100015281925 [0,1,0,1,0,0|2,0,0]=4 7978 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 512a_100015281925_100000684558 [0,1,0,1,0,0|2,0,0]=4 7979 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 2708a_100000684558_100020831831 [0,1,0,1,0,0|2,0,0]=4 7980 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100000684558 [0,1,0,1,0,0|2,0,0]=4 7981 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 273464a_100000684558_100020831831 [0,1,0,1,0,0|2,0,0]=4 7982 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100000684558 [0,1,0,1,0,0|2,0,0]=4 7983 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 512a_100000684558_100020831831 [0,1,0,1,0,0|2,0,0]=4 7984 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100000684558 [0,1,0,1,0,0|2,0,0]=4 7985 B19R1.55078 CCCCCCCCCCNC(=O)NNC1CCC1 273464a_100000684558_100000736358 [0,1,0,1,0,0|2,0,0]=4 7986 B19R1.55078 CCCCCCCCCCNC(=O)NNC1CCC1 512a_100000684558_100000736358 [0,1,0,1,0,0|2,0,0]=4 7987 B19R1.55078 CCCCCCCCCCNC(=O)NNC1CCC1 512a_100000736358_100000684558 [0,1,0,1,0,0|2,0,0]=4 7988 B19R1.55078 CCCCCCCCCCOC(=O)CNC1CCC1 2230a_100000749019_100000210668 [0,1,0,1,0,0|2,0,0]=4 7989 B19R1.55078 CCCCCCCCCCOC(=O)CNC1CCC1 34a_100000749019_100000210668 [0,1,0,1,0,0|2,0,0]=4 7990 B19R1.55078 CCCCCCCCCCOC(=O)COC1CCC1 34a_100000748187_100000210668 [0,1,0,1,0,0|1,0,0]=3 7991 B19R1.55078 CCCCCCCCCCOC(=O)COC1CSC1 7a_100000072292_100000210668 [0,1,0,1,0,0|2,0,0]=4 7992 B19R1.55078 CCCCCCCCCCOC(=O)CSC1CCC1 62a_100000680656_100000749161 [0,1,0,1,0,0|1,1,0]=4 7993 B19R1.55078 O=C(CCCCCCCCCCO)NCC1CCC1 240690a_100000738700_200000016029 [0,1,0,1,0,0|2,0,0]=4 7994 B19R1.55078 O=C(CCCCCCCCCCO)NCC1COC1 240690a_100015281925_200000016029 [0,1,0,1,0,0|2,0,0]=4 7995 B19R1.55078 O=C(CCCCCCCCCCO)NC[C@@H]1CCO1 240690a_100020831831_200000016029 [0,1,0,1,0,0|2,0,0]=4 7996 B19R1.55078 O=C(CCCCCCCCCCO)NNC1CCC1 22a_100000736358_200000016029 [0,1,0,1,0,0|2,0,0]=4 7997 B19R1.110122 CCCN1CCCC1COCC(=O)OCCOCC 34a_200000694710_200000101388 [0,1,0,1,0,0|2,0,0]=4 7998 B19R1.110122 CCCN1CCCC1COCC(=O)OCCOCC 7a_200000694710_200000101388 [0,1,0,1,0,0|2,0,0]=4 7999 B19R1.110125 CCCCC=CC(=O)NCCC1CCCCCCC1 11a_100011532352_100016266645 [0,1,0,1,0,0|2,0,0]=4 8000 B19R1.110125 CCCCC=CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100016266645 [0,1,0,1,0,0|2,0,0]=4 8001 B19R1.110125 CCCCC=CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100016266645 [0,1,0,1,0,0|2,0,0]=4 8002 B19R1.110125 CCCCCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100102632555 [0,1,0,1,0,0|2,0,0]=4 8003 B19R1.110125 CCCCCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100102632555 [0,1,0,1,0,0|2,0,0]=4 8004 B19R1.110125 CCCCCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100102632555 [0,1,0,1,0,0|2,0,0]=4 8005 B19R1.110125 CCCCCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100102632555 [0,1,0,1,0,0|2,0,0]=4 8006 B19R1.110125 CCCCCNC(=O)COCC1CCCCCCC1 34a_100011216312_100000230301 [0,1,0,1,0,0|2,0,0]=4 8007 B19R1.110125 CCCCCNC(=O)COCC1CCCCCCC1 7a_100011216312_100000230301 [0,1,0,1,0,0|2,0,0]=4 8008 B19R1.110125 CCCCCNC(=O)NCCC1CCCCCCC1 2708a_100000209983_100011532352 [0,1,0,1,0,0|2,0,0]=4 8009 B19R1.110125 CCCCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000209983 [0,1,0,1,0,0|2,0,0]=4 8010 B19R1.110125 CCCCCNC(=O)NCCC1CCCCCCC1 273464a_100000209983_100011532352 [0,1,0,1,0,0|2,0,0]=4 8011 B19R1.110125 CCCCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000209983 [0,1,0,1,0,0|2,0,0]=4 8012 B19R1.110125 CCCCCNC(=O)NCCC1CCCCCCC1 512a_100000209983_100011532352 [0,1,0,1,0,0|2,0,0]=4 8013 B19R1.110125 CCCCNNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100025702795 [0,1,0,1,0,0|2,0,0]=4 8014 B19R1.110125 CCCCNNC(=O)NCCC1CCCCCCC1 512a_100025702795_100011532352 [0,1,0,1,0,0|2,0,0]=4 8015 B19R1.110125 CCCCOCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000757543 [0,1,0,1,0,0|1,0,0]=3 8016 B19R1.110125 CCCCOCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000757543 [0,1,0,1,0,0|1,0,0]=3 8017 B19R1.110125 CCCCOCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000757543 [0,1,0,1,0,0|1,0,0]=3 8018 B19R1.110125 CCCCOCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000757543 [0,1,0,1,0,0|1,0,0]=3 8019 B19R1.110125 CCCCSCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000191162 [0,1,0,1,0,0|1,1,0]=4 8020 B19R1.110125 CCCCSCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000191162 [0,1,0,1,0,0|1,1,0]=4 8021 B19R1.110125 CCCCSCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000191162 [0,1,0,1,0,0|1,1,0]=4 8022 B19R1.110125 CCCCSCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000191162 [0,1,0,1,0,0|1,1,0]=4 8023 B19R1.110125 CCOCCNC(=O)NCCC1CCCCCCC1 2708a_100011200944_100011532352 [0,1,0,1,0,0|2,0,0]=4 8024 B19R1.110125 CCOCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100011200944 [0,1,0,1,0,0|2,0,0]=4 8025 B19R1.110125 CCOCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_102516460346 [0,1,0,1,0,0|2,0,0]=4 8026 B19R1.110125 CCOCCNC(=O)NCCC1CCCCCCC1 273464a_102516460346_100011532352 [0,1,0,1,0,0|2,0,0]=4 8027 B19R1.110125 CCOCCNC(=O)NCCC1CCCCCCC1 512a_100011200944_100011532352 [0,1,0,1,0,0|2,0,0]=4 8028 B19R1.110125 CCOCCOC(=O)COCC1CCCCCCC1 34a_100011216312_200000101388 [0,1,0,1,0,0|1,0,0]=3 8029 B19R1.110125 CCOCCOC(=O)COCC1CCCCCCC1 7a_100011216312_200000101388 [0,1,0,1,0,0|1,0,0]=3 8030 B19R1.110125 CCSCCNC(=O)NCCC1CCCCCCC1 2708a_100000106463_100011532352 [0,1,0,1,0,0|2,0,0]=4 8031 B19R1.110125 CCSCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000106463 [0,1,0,1,0,0|2,0,0]=4 8032 B19R1.110125 CCSCCNC(=O)NCCC1CCCCCCC1 273464a_100000106463_100011532352 [0,1,0,1,0,0|2,0,0]=4 8033 B19R1.110125 CCSCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000106463 [0,1,0,1,0,0|2,0,0]=4 8034 B19R1.110125 CCSCCNC(=O)NCCC1CCCCCCC1 512a_100000106463_100011532352 [0,1,0,1,0,0|2,0,0]=4 8035 B19R1.110125 COCCCNC(=O)COCC1CCCCCCC1 34a_100011216312_100000183178 [0,1,0,1,0,0|2,0,0]=4 8036 B19R1.110125 COCCCNC(=O)COCC1CCCCCCC1 7a_100011216312_100000183178 [0,1,0,1,0,0|2,0,0]=4 8037 B19R1.110125 COCCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100150723488 [0,1,0,1,0,0|2,0,0]=4 8038 B19R1.110125 COCCCNC(=O)NCCC1CCCCCCC1 2708a_100150723488_100011532352 [0,1,0,1,0,0|2,0,0]=4 8039 B19R1.110125 COCCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100150723488 [0,1,0,1,0,0|2,0,0]=4 8040 B19R1.110125 COCCCNC(=O)NCCC1CCCCCCC1 273464a_100150723488_100011532352 [0,1,0,1,0,0|2,0,0]=4 8041 B19R1.110125 COCCOCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000211095 [0,1,0,1,0,0|2,0,0]=4 8042 B19R1.110125 COCCOCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000211095 [0,1,0,1,0,0|2,0,0]=4 8043 B19R1.110125 COCCOCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000211095 [0,1,0,1,0,0|2,0,0]=4 8044 B19R1.110125 COCCOCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000211095 [0,1,0,1,0,0|2,0,0]=4 8045 B19R1.110125 CSCCCNC(=O)NCCC1CCCCCCC1 2708a_100000749238_100011532352 [0,1,0,1,0,0|2,0,0]=4 8046 B19R1.110125 CSCCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000749238 [0,1,0,1,0,0|2,0,0]=4 8047 B19R1.110125 CSCCCNC(=O)NCCC1CCCCCCC1 273464a_100000749238_100011532352 [0,1,0,1,0,0|2,0,0]=4 8048 B19R1.110125 CSCCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000749238 [0,1,0,1,0,0|2,0,0]=4 8049 B19R1.110125 CSCCCNC(=O)NCCC1CCCCCCC1 512a_100000749238_100011532352 [0,1,0,1,0,0|2,0,0]=4 8050 B19R1.110125 O=C(CCCCCO)NCCC1CCCCCCC1 240690a_100011532352_100102619762 [0,1,0,1,0,0|2,0,0]=4 8051 B19R1.110125 O=C(NCCCCO)NCCC1CCCCCCC1 2708a_100000750430_100011532352 [0,1,0,1,0,0|2,0,0]=4 8052 B19R1.110125 O=C(NCCCCO)NCCC1CCCCCCC1 2708a_100011532352_100000750430 [0,1,0,1,0,0|2,0,0]=4 8053 B19R1.110125 O=C(NCCCCO)NCCC1CCCCCCC1 273464a_100000750430_100011532352 [0,1,0,1,0,0|2,0,0]=4 8054 B19R1.110125 O=C(NCCCCO)NCCC1CCCCCCC1 273464a_100011532352_100000750430 [0,1,0,1,0,0|2,0,0]=4 8055 B19R1.110125 O=C(NCCCCO)NCCC1CCCCCCC1 512a_100000750430_100011532352 [0,1,0,1,0,0|2,0,0]=4 8056 B19R1.185933 CCCCCCCCCCOC(=O)CN1CCC1C 269982a_100000755817_100000210668 [0,1,0,1,0,0|2,0,0]=4 8057 B19R1.185933 CCCCCCCCCCOC(=O)CN1CCC1C 34a_100000755817_100000210668 [0,1,0,1,0,0|2,0,0]=4 8058 B19R1.302633 CCCCCNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000230301 [0,1,0,1,0,0|2,0,0]=4 8059 B19R1.302633 CCCCCNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000230301 [0,1,0,1,0,0|2,0,0]=4 8060 B19R1.302633 CCCCOCC(=O)NCCCN1CCCCCC1 11a_100000181460_100000757543 [0,1,0,1,0,0|2,0,0]=4 8061 B19R1.302633 CCCCOCC(=O)NCCCN1CCCCCC1 240690a_100000181460_100000757543 [0,1,0,1,0,0|2,0,0]=4 8062 B19R1.302633 CCCCOCC(=O)NCCCN1CCCCCC1 527a_100000181460_100000757543 [0,1,0,1,0,0|2,0,0]=4 8063 B19R1.302633 CCOCCOC(=O)CNCCC1CCCCCC1 2230a_100011532351_200000101388 [0,1,0,1,0,0|1,0,0]=3 8064 B19R1.302633 CCOCCOC(=O)CNCCC1CCCCCC1 34a_100011532351_200000101388 [0,1,0,1,0,0|1,0,0]=3 8065 B19R1.302633 CCOCCOC(=O)COCCN1CCCCCC1 34a_100000238007_200000101388 [0,1,0,1,0,0|2,0,0]=4 8066 B19R1.302633 CCOCCOC(=O)CSCCN1CCCCCC1 62a_100000722644_200000101388 [0,1,0,1,0,0|2,0,0]=4 8067 B19R1.302633 CCOCCOC(=O)CSCCN1CCCCCC1 62a_200000101388_100000722644 [0,1,0,1,0,0|2,0,0]=4 8068 B19R1.302633 COCCCNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183178 [0,1,0,1,0,0|2,0,0]=4 8069 B19R1.302633 COCCCNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183178 [0,1,0,1,0,0|2,0,0]=4 8070 B19R1.10653 CCC(C)CNC(=O)CCCCCN1CCCCC1 11a_100020588543_100012051570 [0,1,0,1,0,0|2,0,0]=4 8071 B19R1.10653 CCC(C)CNC(=O)CCCCCN1CCCCC1 240690a_100020588543_100012051570 [0,1,0,1,0,0|2,0,0]=4 8072 B19R1.10653 CCC(O)CNC(=O)CCCCCN1CCCCC1 11a_100011218483_100012051570 [0,1,0,1,0,0|2,0,0]=4 8073 B19R1.10653 CCC(O)CNC(=O)CCCCCN1CCCCC1 240690a_100011218483_100012051570 [0,1,0,1,0,0|2,0,0]=4 8074 B19R1.142049 CC1(CC1)CNC(=O)CCCCCCCCCCO 240690a_100000766693_200000016029 [0,1,0,1,0,0|2,0,0]=4 8075 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)C 11a_100000766693_100000210736 [0,1,0,1,0,0|1,0,0]=3 8076 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)C 1626a_100000766693_100000210736 [0,1,0,1,0,0|1,0,0]=3 8077 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)C 240690a_100000766693_100000210736 [0,1,0,1,0,0|1,0,0]=3 8078 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)O 11a_100011936951_100000210736 [0,1,0,1,0,0|1,0,0]=3 8079 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)O 240690a_100011936951_100000210736 [0,1,0,1,0,0|1,0,0]=3 8080 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)C 2708a_100000684558_100000766693 [0,1,0,1,0,0|2,0,0]=4 8081 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)C 2708a_100000766693_100000684558 [0,1,0,1,0,0|2,0,0]=4 8082 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)C 273464a_100000684558_100000766693 [0,1,0,1,0,0|2,0,0]=4 8083 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)C 273464a_100000766693_100000684558 [0,1,0,1,0,0|2,0,0]=4 8084 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)C 512a_100000684558_100000766693 [0,1,0,1,0,0|2,0,0]=4 8085 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)C 512a_100000766693_100000684558 [0,1,0,1,0,0|2,0,0]=4 8086 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)O 2708a_100000684558_100011936951 [0,1,0,1,0,0|2,0,0]=4 8087 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)O 2708a_100011936951_100000684558 [0,1,0,1,0,0|2,0,0]=4 8088 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)O 273464a_100000684558_100011936951 [0,1,0,1,0,0|2,0,0]=4 8089 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)O 512a_100000684558_100011936951 [0,1,0,1,0,0|2,0,0]=4 8090 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)O 512a_100011936951_100000684558 [0,1,0,1,0,0|2,0,0]=4 8091 B19R1.142049 O=C(CCCCCCCCCCO)NCC1(CC1)O 240690a_100011936951_200000016029 [0,1,0,1,0,0|2,0,0]=4 8092 B19R1.404971 CCC(C)CCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000701222 [0,1,0,1,0,0|2,0,0]=4 8093 B19R1.404971 CCC(C)CCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000701222 [0,1,0,1,0,0|2,0,0]=4 8094 B19R1.404971 CCC(C)CCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000701222 [0,1,0,1,0,0|2,0,0]=4 8095 B19R1.404971 CCC(C)CCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000701222 [0,1,0,1,0,0|2,0,0]=4 8096 B19R1.404971 CCC(C)CNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100020588543 [0,1,0,1,0,0|2,0,0]=4 8097 B19R1.404971 CCC(C)CNC(=O)NCCC1CCCCCCC1 2708a_100020588543_100011532352 [0,1,0,1,0,0|2,0,0]=4 8098 B19R1.404971 CCC(C)CNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100020588543 [0,1,0,1,0,0|2,0,0]=4 8099 B19R1.404971 CCC(C)CNC(=O)NCCC1CCCCCCC1 273464a_100020588543_100011532352 [0,1,0,1,0,0|2,0,0]=4 8100 B19R1.404971 CCC(C)CNC(=O)NCCC1CCCCCCC1 512a_100020588543_100011532352 [0,1,0,1,0,0|2,0,0]=4 8101 B19R1.404971 CCC(O)CCC(=O)NCCC1CCCCCCC1 1626a_100011532352_203496584001 [0,1,0,1,0,0|2,0,0]=4 8102 B19R1.404971 CCC(O)CCC(=O)NCCC1CCCCCCC1 240690a_100011532352_203496584001 [0,1,0,1,0,0|2,0,0]=4 8103 B19R1.404971 CCC(O)CNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100011218483 [0,1,0,1,0,0|2,0,0]=4 8104 B19R1.404971 CCC(O)CNC(=O)NCCC1CCCCCCC1 273464a_100011218483_100011532352 [0,1,0,1,0,0|2,0,0]=4 8105 B19R1.404971 CCC(O)CNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100011218483 [0,1,0,1,0,0|2,0,0]=4 8106 B19R1.404971 CCC(O)CNC(=O)NCCC1CCCCCCC1 512a_100011218483_100011532352 [0,1,0,1,0,0|2,0,0]=4 8107 B19R1.499288 CCCCCCCCCCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210736 [0,1,0,1,0,0|1,0,0]=3 8108 B19R1.499288 CCCCCCCCCCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210736 [0,1,0,1,0,0|1,0,0]=3 8109 B19R1.499288 CCCCCCCCCCNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100000684558_206633788156 [0,1,0,1,0,0|2,0,0]=4 8110 B19R1.499288 CCCCCCCCCCNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100000684558_206633788156 [0,1,0,1,0,0|2,0,0]=4 8111 B19R1.499288 C[C@H]1[C@H](CN1C(=O)CCCCCCCCCCO)O 240690a_206633788156_200000016029 [0,1,0,1,0,0|2,0,0]=4 8112 B19R1.499290 CCC1CN(C1)C(=O)CCCCCCCCCCO 240690a_100015205115_200000016029 [0,1,0,1,0,0|2,0,0]=4 8113 B19R1.499290 CCCCCCCCCCCC(=O)C1CC(C1)CO 1458a_206645079618_100011215454 [0,1,0,1,0,0|2,0,0]=4 8114 B19R1.499290 CCCCCCCCCCCC(=O)C1CC(C1)OC 1458a_100011999411_100011215454 [0,1,0,1,0,0|2,0,0]=4 8115 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CC 11a_100015205115_100000210736 [0,1,0,1,0,0|1,0,0]=3 8116 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CC 1626a_100015205115_100000210736 [0,1,0,1,0,0|1,0,0]=3 8117 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CC 240690a_100015205115_100000210736 [0,1,0,1,0,0|1,0,0]=3 8118 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CF 11a_100010363649_100000210736 [0,1,0,1,0,0|2,0,0]=4 8119 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CF 240690a_100010363649_100000210736 [0,1,0,1,0,0|2,0,0]=4 8120 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CO 240690a_100016987283_100000210736 [0,1,0,1,0,0|2,0,0]=4 8121 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)OC 11a_100000755009_100000210736 [0,1,0,1,0,0|2,0,0]=4 8122 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)OC 1626a_100000755009_100000210736 [0,1,0,1,0,0|2,0,0]=4 8123 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)OC 240690a_100000755009_100000210736 [0,1,0,1,0,0|2,0,0]=4 8124 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)SC 11a_100016990038_100000210736 [0,1,0,1,0,0|2,0,0]=4 8125 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)SC 1626a_100016990038_100000210736 [0,1,0,1,0,0|2,0,0]=4 8126 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)SC 240690a_100016990038_100000210736 [0,1,0,1,0,0|2,0,0]=4 8127 B19R1.499290 CCCCCCCCCCNC(=O)N1CC(C1)CC 2708a_100000684558_100015205115 [0,1,0,1,0,0|2,0,0]=4 8128 B19R1.499290 CCCCCCCCCCNC(=O)N1CC(C1)CC 273464a_100000684558_100015205115 [0,1,0,1,0,0|2,0,0]=4 8129 B19R1.10829 CCCCC(C)C(=O)CCCCCN1CCCCC1 1458a_100012051570_200011215066 [0,1,0,1,0,0|2,0,0]=4 8130 B19R1.10829 CCCCN(C)C(=O)CCCCCN1CCCCC1 11a_100000207549_100012051570 [0,1,0,1,0,0|2,0,0]=4 8131 B19R1.10829 CCCCN(C)C(=O)CCCCCN1CCCCC1 240690a_100000207549_100012051570 [0,1,0,1,0,0|2,0,0]=4 8132 B19R1.10829 CCCCN(C)C(=O)CNCCCC1CCCCC1 2230a_100011211642_100000230175 [0,1,0,1,0,0|2,0,0]=4 8133 B19R1.10829 CCCCN(C)C(=O)CNCCCC1CCCCC1 34a_100011211642_100000230175 [0,1,0,1,0,0|2,0,0]=4 8134 B19R1.10829 CCCCN(C)C(=O)COCCCC1CCCCC1 34a_100000198086_100000230175 [0,1,0,1,0,0|2,0,0]=4 8135 B19R1.10829 CCCCN(C)C(=O)COCCCC1CCCCC1 7a_100000198086_100000230175 [0,1,0,1,0,0|2,0,0]=4 8136 B19R1.10829 CCCCN(C)C(=O)CSCCCC1CCCCC1 62a_100000230175_100011713725 [0,1,0,1,0,0|2,0,0]=4 8137 B19R1.10829 CCCCN(C)C(=O)CSCCCC1CCCCC1 62a_100011713725_100000230175 [0,1,0,1,0,0|2,0,0]=4 8138 B19R1.57145 CCCCN(C)C(=O)COC1CCCCC1CCC 34a_100011217265_100000230175 [0,1,0,1,0,0|2,0,0]=4 8139 B19R1.57145 CCCCN(C)C(=O)COC1CCCCC1CCC 7a_100011217265_100000230175 [0,1,0,1,0,0|2,0,0]=4 8140 B19R1.142137 CCCCCCCCCCCC(=O)N(C)C1CCC1 11a_100000758072_100000210736 [0,1,0,1,0,0|1,0,0]=3 8141 B19R1.142137 CCCCCCCCCCCC(=O)N(C)C1CCC1 1626a_100000758072_100000210736 [0,1,0,1,0,0|1,0,0]=3 8142 B19R1.142137 CCCCCCCCCCCC(=O)N(C)C1CCC1 240690a_100000758072_100000210736 [0,1,0,1,0,0|1,0,0]=3 8143 B19R1.142137 CCCCCCCCCCCC(=O)N(C)C1COC1 11a_100102693430_100000210736 [0,1,0,1,0,0|2,0,0]=4 8144 B19R1.142137 CCCCCCCCCCCC(=O)N(C)C1COC1 1626a_100102693430_100000210736 [0,1,0,1,0,0|2,0,0]=4 8145 B19R1.142137 CCCCCCCCCCCC(=O)N(C)C1COC1 240690a_100102693430_100000210736 [0,1,0,1,0,0|2,0,0]=4 8146 B19R1.142137 CCCCCCCCCCNC(=O)N(C)C1CCC1 2708a_100000684558_100000758072 [0,1,0,1,0,0|2,0,0]=4 8147 B19R1.142137 CCCCCCCCCCNC(=O)N(C)C1CCC1 273464a_100000684558_100000758072 [0,1,0,1,0,0|2,0,0]=4 8148 B19R1.142137 CN(C(=O)CCCCCCCCCCO)C1CCC1 240690a_100000758072_200000016029 [0,1,0,1,0,0|2,0,0]=4 8149 B19R1.142139 CCCCCCCCCCCC(=O)C(=O)NC1CC1 1458a_100000756273_100011215454 [0,1,0,1,0,0|2,0,0]=4 8150 B19R1.142139 CCCCCCCCCCCC(=O)N(C)CC1CC1 11a_100000741881_100000210736 [0,1,0,1,0,0|1,0,0]=3 8151 B19R1.142139 CCCCCCCCCCCC(=O)N(C)CC1CC1 1626a_100000741881_100000210736 [0,1,0,1,0,0|1,0,0]=3 8152 B19R1.142139 CCCCCCCCCCCC(=O)N(C)CC1CC1 240690a_100000741881_100000210736 [0,1,0,1,0,0|1,0,0]=3 8153 B19R1.142139 CCCCCCCCCCNC(=O)N(C)CC1CC1 2708a_100000684558_100000741881 [0,1,0,1,0,0|2,0,0]=4 8154 B19R1.142139 CCCCCCCCCCNC(=O)N(C)CC1CC1 273464a_100000684558_100000741881 [0,1,0,1,0,0|2,0,0]=4 8155 B19R1.142139 CN(CC1CC1)C(=O)CCCCCCCCCCO 240690a_100000741881_200000016029 [0,1,0,1,0,0|2,0,0]=4 8156 B19R1.289499 CCCCCCCCCNC1CCCCN(C1=O)C 2230a_100159325733_100011214924 [0,1,0,1,0,0|2,0,0]=4 8157 B19R1.289499 CCCCCCCCCNC1CCCCN(C1=O)C 34a_100159325733_100011214924 [0,1,0,1,0,0|2,0,0]=4 8158 B19R1.293391 CCCCC(C)C(=O)NCCC1CCCCCCC1 11a_100011532352_100000725509 [0,1,0,1,0,0|2,0,0]=4 8159 B19R1.293391 CCCCC(C)C(=O)NCCC1CCCCCCC1 1626a_100011532352_100000725509 [0,1,0,1,0,0|2,0,0]=4 8160 B19R1.293391 CCCCC(C)C(=O)NCCC1CCCCCCC1 240690a_100011532352_100000725509 [0,1,0,1,0,0|2,0,0]=4 8161 B19R1.293391 CCCCC(C)C(=O)NCCC1CCCCCCC1 527a_100011532352_100000725509 [0,1,0,1,0,0|2,0,0]=4 8162 B19R1.293391 CCCCC(O)C(=O)NCCC1CCCCCCC1 240690a_100011532352_100000720857 [0,1,0,1,0,0|2,0,0]=4 8163 B19R1.293391 CCCCC(O)C(=O)NCCC1CCCCCCC1 527a_100011532352_100000720857 [0,1,0,1,0,0|2,0,0]=4 8164 B19R1.293391 CCCCN(C)C(=O)COCC1CCCCCCC1 34a_100011216312_100000230175 [0,1,0,1,0,0|2,0,0]=4 8165 B19R1.293391 CCCCN(C)C(=O)COCC1CCCCCCC1 7a_100011216312_100000230175 [0,1,0,1,0,0|2,0,0]=4 8166 B19R1.293391 CCCCN(C)C(=O)NCCC1CCCCCCC1 2708a_100011532352_100000207549 [0,1,0,1,0,0|2,0,0]=4 8167 B19R1.293391 CCCCN(C)C(=O)NCCC1CCCCCCC1 273464a_100011532352_100000207549 [0,1,0,1,0,0|2,0,0]=4 8168 B19R1.499287 CC1(CCCC1)C(=O)CCCCCCCCCCO 1458a_100000239728_100009813290 [0,1,0,1,0,0|2,0,0]=4 8169 B19R1.499287 CCCCCCCCCCCC(=O)C1(CCCC1)O 1458a_100000242637_100011215454 [0,1,0,1,0,0|1,0,0]=3 8170 B19R1.499287 CCCCCCCCCCCC(=O)C1(CCCO1)C 1458a_100000684770_100011215454 [0,1,0,1,0,0|2,0,0]=4 8171 B19R1.499287 CCCCCCCCCCNC(=O)C1(CCCC1)C 11a_100000684558_100000239728 [0,1,0,1,0,0|2,0,0]=4 8172 B19R1.499287 CCCCCCCCCCNC(=O)C1(CCCC1)C 1626a_100000684558_100000239728 [0,1,0,1,0,0|2,0,0]=4 8173 B19R1.499287 CCCCCCCCCCNC(=O)C1(CCCC1)C 240690a_100000684558_100000239728 [0,1,0,1,0,0|2,0,0]=4 8174 B19R1.499287 CCCCCCCCCCNC(=O)C1(CCCC1)C 527a_100000684558_100000239728 [0,1,0,1,0,0|2,0,0]=4 8175 B19R1.499287 CCCCCCCCCCNC(=O)C1(CCCC1)O 240690a_100000684558_100000242637 [0,1,0,1,0,0|2,0,0]=4 8176 B19R1.499287 CCCCCCCCCCNC(=O)C1(CCCC1)O 527a_100000684558_100000242637 [0,1,0,1,0,0|2,0,0]=4 8177 B19R1.499287 O=C(CCCCCCCCCCO)C1(CCCC1)O 1458a_100000242637_100009813290 [0,1,0,1,0,0|2,0,0]=4 8178 B19R1.513803 CCCCN(C)C(=O)CNCCC1CCCCCC1 2230a_100011532351_100000230175 [0,1,0,1,0,0|2,0,0]=4 8179 B19R1.513803 CCCCN(C)C(=O)CNCCC1CCCCCC1 34a_100011532351_100000230175 [0,1,0,1,0,0|2,0,0]=4 8180 B19R1.2430 CCCCOC(=O)C(C)OCC1CCCN1CCC 34a_200000694710_100000759602 [0,1,0,1,0,0|2,0,0]=4 8181 B19R1.2430 CCCCOC(=O)C(C)OCC1CCCN1CCC 7a_200000694710_100000759602 [0,1,0,1,0,0|2,0,0]=4 8182 B19R1.3816 CCCCCCCCCCN(C)C(=O)C1CCCC1 11a_100000207566_100000210718 [0,1,0,1,0,0|2,0,0]=4 8183 B19R1.3816 CCCCCCCCCCN(C)C(=O)C1CCCC1 1626a_100000207566_100000210718 [0,1,0,1,0,0|2,0,0]=4 8184 B19R1.3816 CCCCCCCCCCN(C)C(=O)C1CCCC1 240690a_100000207566_100000210718 [0,1,0,1,0,0|2,0,0]=4 8185 B19R1.3816 CCCCCCCCCCN(C)C(=O)C1CCCC1 527a_100000207566_100000210718 [0,1,0,1,0,0|2,0,0]=4 8186 B19R1.3816 CCCCCCCCCNC(C)C(=O)N1CCCC1 2230a_100000212291_100000183899 [0,1,0,1,0,0|2,0,0]=4 8187 B19R1.3816 CCCCCCCCCNC(C)C(=O)N1CCCC1 2230a_100000747167_100011214924 [0,1,0,1,0,0|2,0,0]=4 8188 B19R1.3816 CCCCCCCCCOC(C)C(=O)N1CCCC1 7a_100000210712_100000183899 [0,1,0,1,0,0|2,0,0]=4 8189 B19R1.3816 CCCCCCCCCO[C@@H](C)C(=O)N1CCCC1 34a_100009854435_100011214924 [0,1,0,1,0,0|2,0,0]=4 8190 B19R1.3816 CCCCCCCCCO[C@@H](C)C(=O)N1CCCC1 7a_100009854435_100000210328 [0,1,0,1,0,0|2,0,0]=4 8191 B19R1.3816 CCCCCCCCCSC(C)C(=O)N1CCCC1 62a_100000183899_100000210670 [0,1,0,1,0,0|2,0,0]=4 8192 B19R1.7875 CCCCOC(=O)C(C)NCC1CCCCN1CC 2230a_100000754393_100000759602 [0,1,0,1,0,0|2,0,0]=4 8193 B19R1.7875 CCCCOC(=O)C(C)NCC1CCCCN1CC 34a_100000754393_100000759602 [0,1,0,1,0,0|2,0,0]=4 8194 B19R1.7875 CCCCOC(=O)C(C)OCC1CCCCN1CC 34a_100000225091_100000759602 [0,1,0,1,0,0|2,0,0]=4 8195 B19R1.7875 CCCCOC(=O)C(C)OCC1CCCCN1CC 7a_100000225091_100000759602 [0,1,0,1,0,0|2,0,0]=4 8196 B19R1.7886 CCCCNC(=O)C(C)NCCCC1CCCCC1 2230a_100011211642_100000735917 [0,1,0,1,0,0|2,0,0]=4 8197 B19R1.7886 CCCCNC(=O)C(C)NCCCC1CCCCC1 34a_100011211642_100000735917 [0,1,0,1,0,0|2,0,0]=4 8198 B19R1.7886 CCCCNC(=O)C(C)OCCCC1CCCCC1 34a_100000198086_100000735917 [0,1,0,1,0,0|2,0,0]=4 8199 B19R1.7886 CCCCNC(=O)C(C)OCCCC1CCCCC1 7a_100000198086_100000735917 [0,1,0,1,0,0|2,0,0]=4 8200 B19R1.7886 CCCCNC(=O)C(C)SCCCC1CCCCC1 62a_100000735917_100011713725 [0,1,0,1,0,0|2,0,0]=4 8201 B19R1.7886 CCCCNC(=O)C(C)SCCCC1CCCCC1 62a_100011713725_100000735917 [0,1,0,1,0,0|2,0,0]=4 8202 B19R1.7886 CCCCOC(=O)C(C)NCCCC1CCCCC1 2230a_100011211642_100000759602 [0,1,0,1,0,0|1,0,0]=3 8203 B19R1.7886 CCCCOC(=O)C(C)NCCCC1CCCCC1 34a_100011211642_100000759602 [0,1,0,1,0,0|1,0,0]=3 8204 B19R1.7886 CCCCOC(=O)C(C)NCCOC1CCCCC1 34a_100015206981_100000759602 [0,1,0,1,0,0|2,0,0]=4 8205 B19R1.7886 CCCCOC(=O)C(C)OCCCC1CCCCC1 34a_100000038973_100011713725 [0,1,0,1,0,0|1,0,0]=3 8206 B19R1.7886 CCCCOC(=O)C(C)OCCCC1CCCCC1 34a_100000198086_100000759602 [0,1,0,1,0,0|1,0,0]=3 8207 B19R1.7886 CCCCOC(=O)C(C)OCCCC1CCCCC1 7a_100000038973_100011713725 [0,1,0,1,0,0|1,0,0]=3 8208 B19R1.7886 CCCCOC(=O)C(C)OCCCC1CCCCC1 7a_100000198086_100000759602 [0,1,0,1,0,0|1,0,0]=3 8209 B19R1.7886 CCCCOC(=O)C(C)OCCCC1CCCCN1 34a_100011934581_100000759602 [0,1,0,1,0,0|2,0,0]=4 8210 B19R1.7886 CCCCOC(=O)C(C)OCCCC1CCCNC1 34a_100150707839_100000759602 [0,1,0,1,0,0|2,0,0]=4 8211 B19R1.7886 CCCCOC(=O)C(C)OCCCC1CCNCC1 34a_100016988962_100000759602 [0,1,0,1,0,0|2,0,0]=4 8212 B19R1.7886 CCCCOC(=O)C(C)OCCCN1CCCCC1 34a_100000038973_100000690320 [0,1,0,1,0,0|2,0,0]=4 8213 B19R1.7886 CCCCOC(=O)C(C)OCCCN1CCCCC1 34a_100000212458_100000759602 [0,1,0,1,0,0|2,0,0]=4 8214 B19R1.7886 CCCCOC(=O)C(C)OCCCN1CCCCC1 7a_100000038973_100000007876 [0,1,0,1,0,0|2,0,0]=4 8215 B19R1.7886 CCCCOC(=O)C(C)OCCNC1CCCCC1 34a_100000200466_100000759602 [0,1,0,1,0,0|2,0,0]=4 8216 B19R1.7886 CCCCOC(=O)C(C)OCCOC1CCCCC1 34a_100000038973_100011211530 [0,1,0,1,0,0|2,0,0]=4 8217 B19R1.7886 CCCCOC(=O)C(C)OCCOC1CCCCC1 34a_100011249652_100000759602 [0,1,0,1,0,0|2,0,0]=4 8218 B19R1.7886 CCCCOC(=O)C(C)OCCOC1CCCCC1 7a_100000038973_100011211530 [0,1,0,1,0,0|2,0,0]=4 8219 B19R1.7886 CCCCOC(=O)C(C)OCCOC1CCCCC1 7a_100011249652_100000759602 [0,1,0,1,0,0|2,0,0]=4 8220 B19R1.7886 CCCCOC(=O)C(C)SCCCC1CCCCC1 62a_100000759602_100011713725 [0,1,0,1,0,0|1,0,0]=3 8221 B19R1.7886 CCCCOC(=O)C(C)SCCCC1CCCCC1 62a_100011713725_100000759602 [0,1,0,1,0,0|1,0,0]=3 8222 B19R1.7886 CCCCOC(=O)C(C)SCCCN1CCCCC1 62a_100000759602_100000007876 [0,1,0,1,0,0|2,0,0]=4 8223 B19R1.7886 CCCCOC(=O)C(C)SCCCN1CCCCC1 62a_100132302099_100000759602 [0,1,0,1,0,0|2,0,0]=4 8224 B19R1.7886 CCCCOC(=O)C(C)SCCOC1CCCCC1 62a_100000759602_100011211530 [0,1,0,1,0,0|2,0,0]=4 8225 B19R1.7886 CCCCOC(=O)C(C)SCCOC1CCCCC1 62a_100011211530_100000759602 [0,1,0,1,0,0|2,0,0]=4 8226 B19R1.7905 CCCCOC(=O)C(C)NCCCOC1CCCC1 34a_100000747560_100000759602 [0,1,0,1,0,0|2,0,0]=4 8227 B19R1.7922 CCCCOC(=O)C(C)N1CCCCC1CCCO 2230a_100011934581_100000759602 [0,1,0,1,0,0|2,0,0]=4 8228 B19R1.7922 CCCCOC(=O)C(C)N1CCCCC1CCCO 269982a_100011934581_100000759602 [0,1,0,1,0,0|2,0,0]=4 8229 B19R1.7922 CCCCOC(=O)C(C)N1CCCCC1CCCO 34a_100011934581_100000759602 [0,1,0,1,0,0|2,0,0]=4 8230 B19R1.7922 CCCCOC(=O)C(C)N1CCCCC1CCOC 2230a_100015186528_100000759602 [0,1,0,1,0,0|2,0,0]=4 8231 B19R1.7922 CCCCOC(=O)C(C)N1CCCCC1CCOC 269982a_100015186528_100000759602 [0,1,0,1,0,0|2,0,0]=4 8232 B19R1.7922 CCCCOC(=O)C(C)N1CCCCC1CCOC 34a_100015186528_100000759602 [0,1,0,1,0,0|2,0,0]=4 8233 B19R1.47128 CCCCOC(=O)C(C)NCCN1CCCCC1C 2230a_100000739827_100000759602 [0,1,0,1,0,0|2,0,0]=4 8234 B19R1.47128 CCCCOC(=O)C(C)NCCN1CCCCC1C 34a_100000739827_100000759602 [0,1,0,1,0,0|2,0,0]=4 8235 B19R1.47128 CCCCOC(=O)C(C)OCCC1CCCCN1C 34a_100000038973_100000211948 [0,1,0,1,0,0|2,0,0]=4 8236 B19R1.47128 CCCCOC(=O)C(C)OCCC1CCCCN1C 7a_100000038973_100000211948 [0,1,0,1,0,0|2,0,0]=4 8237 B19R1.47128 CCCCOC(=O)C(C)OCCN1CCCCC1C 34a_100011305533_100000759602 [0,1,0,1,0,0|2,0,0]=4 8238 B19R1.47128 CCCCOC(=O)C(C)SCCC1CCCCN1C 62a_100000211948_100000759602 [0,1,0,1,0,0|2,0,0]=4 8239 B19R1.47128 CCCCOC(=O)C(C)SCCC1CCCCN1C 62a_100000759602_100000211948 [0,1,0,1,0,0|2,0,0]=4 8240 B19R1.47157 CCCCNC(=O)C(C)OC1CCCCC1CCC 34a_100011217265_100000735917 [0,1,0,1,0,0|2,0,0]=4 8241 B19R1.47157 CCCCNC(=O)C(C)OC1CCCCC1CCC 7a_100011217265_100000735917 [0,1,0,1,0,0|2,0,0]=4 8242 B19R1.47157 CCCCOC(=O)C(C)OC1CCCCC1CCC 34a_100011217265_100000759602 [0,1,0,1,0,0|1,0,0]=3 8243 B19R1.47157 CCCCOC(=O)C(C)OC1CCCCC1CCC 7a_100011217265_100000759602 [0,1,0,1,0,0|1,0,0]=3 8244 B19R1.68447 CCCCCCCCCCN(C)C(=O)C1CC1CC 11a_100000207566_200011661523 [0,1,0,1,0,0|2,0,0]=4 8245 B19R1.68447 CCCCCCCCCCN(C)C(=O)C1CC1CC 1626a_100000207566_200011661523 [0,1,0,1,0,0|2,0,0]=4 8246 B19R1.68447 CCCCCCCCCCN(C)C(=O)C1CC1CC 240690a_100000207566_200011661523 [0,1,0,1,0,0|2,0,0]=4 8247 B19R1.68447 CCCCCCCCCCN(C)C(=O)C1CC1CC 527a_100000207566_200011661523 [0,1,0,1,0,0|2,0,0]=4 8248 B19R1.68449 CCCCCCCCCCN(C)C(=O)CC1CCC1 11a_100000207566_100000763092 [0,1,0,1,0,0|2,0,0]=4 8249 B19R1.68449 CCCCCCCCCCN(C)C(=O)CC1CCC1 1626a_100000207566_100000763092 [0,1,0,1,0,0|2,0,0]=4 8250 B19R1.68449 CCCCCCCCCCN(C)C(=O)CC1CCC1 240690a_100000207566_100000763092 [0,1,0,1,0,0|2,0,0]=4 8251 B19R1.68449 CCCCCCCCCCN(C)C(=O)CC1CCC1 527a_100000207566_100000763092 [0,1,0,1,0,0|2,0,0]=4 8252 B19R1.68449 CCCCCCCCCCN(C)C(=O)NC1CCC1 273464a_100000749019_100000207566 [0,1,0,1,0,0|2,0,0]=4 8253 B19R1.68450 CCCCCCCCCCN(C)C(=O)CCC1CC1 11a_100000207566_100000756386 [0,1,0,1,0,0|2,0,0]=4 8254 B19R1.68450 CCCCCCCCCCN(C)C(=O)CCC1CC1 1626a_100000207566_100000756386 [0,1,0,1,0,0|2,0,0]=4 8255 B19R1.68450 CCCCCCCCCCN(C)C(=O)CCC1CC1 240690a_100000207566_100000756386 [0,1,0,1,0,0|2,0,0]=4 8256 B19R1.68450 CCCCCCCCCCN(C)C(=O)CCC1CC1 527a_100000207566_100000756386 [0,1,0,1,0,0|2,0,0]=4 8257 B19R1.68450 CCCCCCCCCCN(C)C(=O)NCC1CC1 2708a_100000735609_100000207566 [0,1,0,1,0,0|2,0,0]=4 8258 B19R1.68450 CCCCCCCCCCN(C)C(=O)NCC1CC1 273464a_100000735609_100000207566 [0,1,0,1,0,0|2,0,0]=4 8259 B19R1.112964 CCCCNC(=O)C(C)OCC1CCCCCCC1 34a_100011216312_100000735917 [0,1,0,1,0,0|2,0,0]=4 8260 B19R1.112964 CCCCNC(=O)C(C)OCC1CCCCCCC1 7a_100011216312_100000735917 [0,1,0,1,0,0|2,0,0]=4 8261 B19R1.112964 CCCCOC(=O)C(C)OCC1CCCCCCC1 34a_100011216312_100000759602 [0,1,0,1,0,0|1,0,0]=3 8262 B19R1.112964 CCCCOC(=O)C(C)OCC1CCCCCCC1 7a_100011216312_100000759602 [0,1,0,1,0,0|1,0,0]=3 8263 B19R1.421459 CCCCNC(=O)C(C)NCCC1CCCCCC1 2230a_100011532351_100000735917 [0,1,0,1,0,0|2,0,0]=4 8264 B19R1.421459 CCCCNC(=O)C(C)NCCC1CCCCCC1 34a_100011532351_100000735917 [0,1,0,1,0,0|2,0,0]=4 8265 B19R1.421459 CCCCOC(=O)C(C)NCCC1CCCCCC1 2230a_100011532351_100000759602 [0,1,0,1,0,0|1,0,0]=3 8266 B19R1.421459 CCCCOC(=O)C(C)NCCC1CCCCCC1 34a_100011532351_100000759602 [0,1,0,1,0,0|1,0,0]=3 8267 B19R1.421459 CCCCOC(=O)C(C)OCCN1CCCCCC1 34a_100000238007_100000759602 [0,1,0,1,0,0|2,0,0]=4 8268 B19R1.421459 CCCCOC(=O)C(C)OCCN1CCCCCC1 7a_100000038973_100000722644 [0,1,0,1,0,0|2,0,0]=4 8269 B19R1.421459 CCCCOC(=O)C(C)SCCN1CCCCCC1 62a_100000722644_100000759602 [0,1,0,1,0,0|2,0,0]=4 8270 B19R1.421459 CCCCOC(=O)C(C)SCCN1CCCCCC1 62a_100000759602_100000722644 [0,1,0,1,0,0|2,0,0]=4 8271 B19R1.1048 CCCCC(C)CCCCOC1CCCCCC1=O 7a_200011021034_100000243696 [0,1,0,1,0,0|2,0,0]=4 8272 B19R1.1048 CCCCC(C)CCCCOC1CCCCNC1=O 7a_200011021034_100000735217 [0,1,0,1,0,0|2,0,0]=4 8273 B19R1.1104 CCCCC(C)CCCCOCC(=O)N1CCCC1 34a_200011021034_100000183516 [0,1,0,1,0,0|2,0,0]=4 8274 B19R1.1104 CCCCC(C)CCCCOCC(=O)N1CCCC1 7a_200011021034_100000183516 [0,1,0,1,0,0|2,0,0]=4 8275 B19R1.1336 CCCCCC(=O)CNCCCN1CCCCC1C 34a_100000212276_200012276598 [0,1,0,1,0,0|2,0,0]=4 8276 B19R1.1336 CCCCCC(=O)COCCCN1CCCCC1C 34a_100000213889_200012276598 [0,1,0,1,0,0|2,0,0]=4 8277 B19R1.1336 CCCCCC(=O)COCCCN1CCCCC1C 7a_100000213889_200012276598 [0,1,0,1,0,0|2,0,0]=4 8278 B19R1.1336 CCCCNC(=O)CNCCCN1CCCCC1C 34a_100000212276_100000182744 [0,1,0,1,0,0|2,0,0]=4 8279 B19R1.1336 CCCCNC(=O)COCCCN1CCCCC1C 34a_100000213889_100000182744 [0,1,0,1,0,0|2,0,0]=4 8280 B19R1.1336 CCCCNC(=O)COCCCN1CCCCC1C 7a_100000213889_100000182744 [0,1,0,1,0,0|2,0,0]=4 8281 B19R1.1336 CCCCOC(=O)CNCCCN1CCCCC1C 34a_100000212276_100000211628 [0,1,0,1,0,0|1,0,0]=3 8282 B19R1.1336 CCCCOC(=O)COCCCN1CCCCC1C 34a_100000213889_100000211628 [0,1,0,1,0,0|1,0,0]=3 8283 B19R1.1336 CCCCOC(=O)COCCCN1CCCCC1C 7a_100000213889_100000211628 [0,1,0,1,0,0|1,0,0]=3 8284 B19R1.1336 COCCOC(=O)CNCCCN1CCCCC1C 34a_100000212276_200000040189 [0,1,0,1,0,0|2,0,0]=4 8285 B19R1.1336 COCCOC(=O)COCCCN1CCCCC1C 34a_100000213889_200000040189 [0,1,0,1,0,0|2,0,0]=4 8286 B19R1.1336 COCCOC(=O)COCCCN1CCCCC1C 7a_100000213889_200000040189 [0,1,0,1,0,0|2,0,0]=4 8287 B19R1.1375 CCCCCC(=O)CNCCCOC1CCCCC1 34a_100000205933_200012276598 [0,1,0,1,0,0|2,0,0]=4 8288 B19R1.1375 CCCCCC(=O)COCCCCC1CCCCC1 34a_100011215267_200012276598 [0,1,0,1,0,0|1,0,0]=3 8289 B19R1.1375 CCCCCC(=O)COCCCCC1CCCCC1 7a_100011215267_200012276598 [0,1,0,1,0,0|1,0,0]=3 8290 B19R1.1375 CCCCCC(=O)COCCCCC1CCNCC1 34a_100016989291_200012276598 [0,1,0,1,0,0|2,0,0]=4 8291 B19R1.1375 CCCCCC(=O)NCCCCCN1CCCCC1 240690a_100000754421_100000212188 [0,1,0,1,0,0|2,0,0]=4 8292 B19R1.1375 CCCCCC(=O)NCCCCCN1CCCCC1 527a_100000754421_100000212188 [0,1,0,1,0,0|2,0,0]=4 8293 B19R1.1375 CCCCNC(=O)CNCCCOC1CCCCC1 34a_100000205933_100000182744 [0,1,0,1,0,0|2,0,0]=4 8294 B19R1.1375 CCCCNC(=O)COCCCCC1CCCCC1 34a_100011215267_100000182744 [0,1,0,1,0,0|1,0,0]=3 8295 B19R1.1375 CCCCNC(=O)COCCCCC1CCCCC1 7a_100011215267_100000182744 [0,1,0,1,0,0|1,0,0]=3 8296 B19R1.1375 CCCCNC(=O)COCCCCC1CCNCC1 34a_100016989291_100000182744 [0,1,0,1,0,0|2,0,0]=4 8297 B19R1.1375 CCCCNC(=O)NCCCCCN1CCCCC1 2708a_100000102301_100000754421 [0,1,0,1,0,0|2,0,0]=4 8298 B19R1.1375 CCCCNC(=O)NCCCCCN1CCCCC1 2708a_100000754421_100000102301 [0,1,0,1,0,0|2,0,0]=4 8299 B19R1.1375 CCCCNC(=O)NCCCCCN1CCCCC1 273464a_100000102301_100000754421 [0,1,0,1,0,0|2,0,0]=4 8300 B19R1.1375 CCCCNC(=O)NCCCCCN1CCCCC1 273464a_100000754421_100000102301 [0,1,0,1,0,0|2,0,0]=4 8301 B19R1.1375 CCCCNC(=O)NCCCCCN1CCCCC1 512a_100000102301_100000754421 [0,1,0,1,0,0|2,0,0]=4 8302 B19R1.1375 CCCCNC(=O)NCCCCCN1CCCCC1 512a_100000754421_100000102301 [0,1,0,1,0,0|2,0,0]=4 8303 B19R1.1375 CCCCOC(=O)CNCCCOC1CCCCC1 34a_100000205933_100000211628 [0,1,0,1,0,0|1,0,0]=3 8304 B19R1.1375 CCCCOC(=O)COCCCCC1CCCCC1 34a_100011215267_100000211628 [0,1,0,1,0,0|0,0,0]=2 8305 B19R1.1375 CCCCOC(=O)COCCCCC1CCCCC1 7a_100011215267_100000211628 [0,1,0,1,0,0|0,0,0]=2 8306 B19R1.1375 CCCCOC(=O)COCCCCC1CCNCC1 34a_100016989291_100000211628 [0,1,0,1,0,0|1,0,0]=3 8307 B19R1.1375 CCCCOC(=O)COCCCCN1CCOCC1 34a_100000723369_100000211628 [0,1,0,1,0,0|2,0,0]=4 8308 B19R1.1375 CCCCOC(=O)CSCCCOC1CCCCO1 62a_100000211628_100000700653 [0,1,0,1,0,0|2,0,0]=4 8309 B19R1.1375 CCCCOC(=O)CSCCCOC1CCCCO1 62a_100000700653_100000211628 [0,1,0,1,0,0|2,0,0]=4 8310 B19R1.1375 COCCNC(=O)COCCCCC1CCCCC1 34a_100011215267_100000183275 [0,1,0,1,0,0|2,0,0]=4 8311 B19R1.1375 COCCNC(=O)COCCCCC1CCCCC1 7a_100011215267_100000183275 [0,1,0,1,0,0|2,0,0]=4 8312 B19R1.1375 COCCOC(=O)CNCCCOC1CCCCC1 34a_100000205933_200000040189 [0,1,0,1,0,0|2,0,0]=4 8313 B19R1.1375 COCCOC(=O)COCCCCC1CCCCC1 34a_100011215267_200000040189 [0,1,0,1,0,0|1,0,0]=3 8314 B19R1.1375 COCCOC(=O)COCCCCC1CCCCC1 7a_100011215267_200000040189 [0,1,0,1,0,0|1,0,0]=3 8315 B19R1.1375 COCCOC(=O)COCCCCC1CCNCC1 34a_100016989291_200000040189 [0,1,0,1,0,0|2,0,0]=4 8316 B19R1.2092 CCCCNC(=O)C1CCCCC1C(=O)CCCC 1458a_200000199520_100000210211 [0,1,0,1,0,0|1,0,1]=4 8317 B19R1.293 CCCCCCCCCC(=O)CC(=O)N1CCCC1 1458a_100000210558_100000183516 [0,1,0,1,0,0|1,0,1]=4 8318 B19R1.293 CCCCCCCCCC(O)CC(=O)N1CCCC1 240690a_100000188435_200012339438 [0,1,0,1,0,0|1,0,0]=3 8319 B19R1.293 CCCCCCCCCC(O)CC(=O)N1CCSC1 240690a_100011215254_200012339438 [0,1,0,1,0,0|2,0,0]=4 8320 B19R1.293 CCCCCCCCCN(C)CC(=O)N1CCCC1 2230a_100000232482_100000183516 [0,1,0,1,0,0|2,0,0]=4 8321 B19R1.293 CCCCCCCCCN(C)CC(=O)N1CCCC1 2230a_100025772637_100011214924 [0,1,0,1,0,0|2,0,0]=4 8322 B19R1.293 CCCCCCCCCN(C)CC(=O)N1CCCC1 269982a_100000232482_100000183516 [0,1,0,1,0,0|2,0,0]=4 8323 B19R1.293 CCCCCCCCCN(C)CC(=O)N1CCCC1 269982a_100025772637_100000210670 [0,1,0,1,0,0|2,0,0]=4 8324 B19R1.2400 CCCCCC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_200012276598 [0,1,0,1,0,0|1,0,1]=4 8325 B19R1.2400 CCCCNC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000182744 [0,1,0,1,0,0|1,0,1]=4 8326 B19R1.2400 CCCCNC(=O)CN(C)CCCC1CCCCC1 2230a_200000213093_100011713725 [0,1,0,1,0,0|2,0,0]=4 8327 B19R1.2400 CCCCNC(=O)CN(C)CCCC1CCCCC1 269982a_200000213093_100011713725 [0,1,0,1,0,0|2,0,0]=4 8328 B19R1.2400 CCCCOC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000211628 [0,1,0,1,0,0|0,0,1]=3 8329 B19R1.2400 CCCCOC(=O)CC(=O)CCCN1CCCCC1 1458a_100000742516_100000211628 [0,1,0,1,0,0|1,0,1]=4 8330 B19R1.2400 COCCOC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_200000040189 [0,1,0,1,0,0|1,0,1]=4 8331 B19R1.6224 CCCCOC(=O)CC(=O)CCC1CCCCN1C 1458a_100000718493_100000211628 [0,1,0,1,0,0|1,0,1]=4 8332 B19R1.6224 CCCCOC(=O)CC(=O)COC1CCCCC1C 1458a_100011223357_100000211628 [0,1,0,1,0,0|1,0,1]=4 8333 B19R1.6224 CCCCOC(=O)CN(C)CCN1CCCCC1C 2230a_200011233311_100000211628 [0,1,0,1,0,0|2,0,0]=4 8334 B19R1.6224 CCCCOC(=O)CN(C)CCN1CCCCC1C 269982a_200011233311_100000211628 [0,1,0,1,0,0|2,0,0]=4 8335 B19R1.6256 CCCCNC(=O)CN(C)C1CCCCC1CCC 270004a_200000213093_100011218038 [0,1,0,1,0,0|2,0,0]=4 8336 B19R1.6256 CCCCOC(=O)CC(=O)C1CCCCN1CCC 1458a_100000743559_100000211628 [0,1,0,1,0,0|1,0,1]=4 8337 B19R1.6263 CCCCNC(=O)CN(C)C1CCCC1CCCC 270004a_200000213093_100000750825 [0,1,0,1,0,0|2,0,0]=4 8338 B19R1.15467 CCCCCCCCCC(O)CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_200012339438 [0,1,0,1,0,0|2,0,0]=4 8339 B19R1.15467 CCCCCCCCCC(O)CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_200012339438 [0,1,0,1,0,0|2,0,0]=4 8340 B19R1.15467 CCCCCCCCCC(O)CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_200012339438 [0,1,0,1,0,0|2,0,0]=4 8341 B19R1.15468 CCCCCCCCCC(O)CC(=O)NC1CCC1 1626a_100000749019_200012339438 [0,1,0,1,0,0|1,0,0]=3 8342 B19R1.15468 CCCCCCCCCC(O)CC(=O)NC1CCC1 240690a_100000749019_200012339438 [0,1,0,1,0,0|1,0,0]=3 8343 B19R1.15468 CCCCCCCCCC(O)CC(=O)NC1COC1 1626a_100016991112_200012339438 [0,1,0,1,0,0|2,0,0]=4 8344 B19R1.15468 CCCCCCCCCC(O)CC(=O)NC1COC1 240690a_100016991112_200012339438 [0,1,0,1,0,0|2,0,0]=4 8345 B19R1.15468 CCCCCCCCCC(O)CC(=O)NC1CSC1 1626a_100016994217_200012339438 [0,1,0,1,0,0|2,0,0]=4 8346 B19R1.15468 CCCCCCCCCC(O)CC(=O)NC1CSC1 240690a_100016994217_200012339438 [0,1,0,1,0,0|2,0,0]=4 8347 B19R1.15469 CCCCCCCCCC(O)CC(=O)NCC1CC1 1626a_100000735609_200012339438 [0,1,0,1,0,0|1,0,0]=3 8348 B19R1.15469 CCCCCCCCCC(O)CC(=O)NCC1CC1 240690a_100000735609_200012339438 [0,1,0,1,0,0|1,0,0]=3 8349 B19R1.15469 CCCCCCCCCC(O)CC(=O)NNC1CC1 22a_100000701032_200012339438 [0,1,0,1,0,0|2,0,0]=4 8350 B19R1.15470 CCCCCCCCCC(O)CC(=O)N1CCC1C 240690a_100000755817_200012339438 [0,1,0,1,0,0|1,0,0]=3 8351 B19R1.30518 CCCCCCCCCC(=O)C1CCCCCC1=O 1458a_100000210558_100000243696 [0,1,0,1,0,0|1,0,1]=4 8352 B19R1.30518 CCCCCCCCCC(=O)C1CCCCNC1=O 1458a_100000210558_100000735217 [0,1,0,1,0,0|1,0,1]=4 8353 B19R1.30518 CCCCCCCCCN(C)C1CCCCCC1=O 269982a_100000232482_100000243696 [0,1,0,1,0,0|2,0,0]=4 8354 B19R1.30518 CCCCCCCCCN(C)C1CCCCNC1=O 2230a_100000232482_100000735217 [0,1,0,1,0,0|2,0,0]=4 8355 B19R1.30518 CCCCCCCCCN(C)C1CCCCNC1=O 269982a_100000232482_100000735217 [0,1,0,1,0,0|2,0,0]=4 8356 B19R1.94596 CCCCNC(=O)CN(C)C1CCCCCCCC1 270004a_200000213093_100000038600 [0,1,0,1,0,0|2,0,0]=4 8357 B19R1.94625 CCCCOC(=O)CC(=O)CCN1CCCCCC1 1458a_100000740320_100000211628 [0,1,0,1,0,0|1,0,1]=4 8358 B19R1.94625 CCCCOC(=O)CN(C)CCN1CCCCCC1 269982a_106744473495_100000211628 [0,1,0,1,0,0|2,0,0]=4 8359 B19R1.342 C=CCCCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100011093070 [0,1,0,1,0,0|1,0,1]=4 8360 B19R1.342 CCCCC#CCCCCCCC(=O)C1CCCC1 1458a_100000210718_200000043322 [0,1,0,1,0,0|1,0,1]=4 8361 B19R1.342 CCCCCCCCCCC=CC(=O)N1CCCC1 240690a_100000188435_100015291182 [0,1,0,1,0,0|1,0,1]=4 8362 B19R1.342 CCCCCCCCCCCCC(=O)C1=CCCC1 1458a_100000038896_100000759014 [0,1,0,1,0,0|1,0,1]=4 8363 B19R1.342 CCCCCCCCCCCCC(=O)C1CCCS1 1458a_100012002731_100000759014 [0,1,0,1,0,0|2,0,0]=4 8364 B19R1.342 CCCCCCCCCCCCC(=O)C1CCOC1 1458a_100011215791_100000690089 [0,1,0,1,0,0|2,0,0]=4 8365 B19R1.342 CCCCCCCCCCCCC(=O)C1CCOC1 1458a_100011219752_100000759014 [0,1,0,1,0,0|2,0,0]=4 8366 B19R1.342 CCCCCCCCCCCCC(=O)N1CCCC1 240690a_100000188435_100011215791 [0,1,0,1,0,0|1,0,0]=3 8367 B19R1.342 CCCCCCCCCCCCC(=O)N1CCSC1 11a_100011215254_100011215791 [0,1,0,1,0,0|2,0,0]=4 8368 B19R1.342 CCCCCCCCCCCCC(=O)N1CCSC1 240690a_100011215254_100011215791 [0,1,0,1,0,0|2,0,0]=4 8369 B19R1.342 CCCCCCCCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000759014 [0,1,0,1,0,0|2,0,0]=4 8370 B19R1.342 CCCCCCCCCCCNC(=O)C1=CCCC1 11a_200011215754_100000038896 [0,1,0,1,0,0|1,0,1]=4 8371 B19R1.342 CCCCCCCCCCCNC(=O)C1=CCCC1 1626a_200011215754_100000038896 [0,1,0,1,0,0|1,0,1]=4 8372 B19R1.342 CCCCCCCCCCCNC(=O)C1=CCCC1 240690a_200011215754_100000038896 [0,1,0,1,0,0|1,0,1]=4 8373 B19R1.342 CCCCCCCCCCCNC(=O)C1CCCC1 11a_200011215754_100000210718 [0,1,0,1,0,0|1,0,0]=3 8374 B19R1.342 CCCCCCCCCCCNC(=O)C1CCCC1 1626a_200011215754_100000210718 [0,1,0,1,0,0|1,0,0]=3 8375 B19R1.342 CCCCCCCCCCCNC(=O)C1CCCC1 240690a_200011215754_100000210718 [0,1,0,1,0,0|1,0,0]=3 8376 B19R1.342 CCCCCCCCCCCNC(=O)C1CCCC1 527a_200011215754_100000210718 [0,1,0,1,0,0|1,0,0]=3 8377 B19R1.342 CCCCCCCCCCCNC(=O)C1CCCS1 11a_200011215754_100012002731 [0,1,0,1,0,0|2,0,0]=4 8378 B19R1.342 CCCCCCCCCCCNC(=O)C1CCCS1 1626a_200011215754_100012002731 [0,1,0,1,0,0|2,0,0]=4 8379 B19R1.342 CCCCCCCCCCCNC(=O)C1CCCS1 240690a_200011215754_100012002731 [0,1,0,1,0,0|2,0,0]=4 8380 B19R1.342 CCCCCCCCCCCNC(=O)C1CCCS1 527a_200011215754_100012002731 [0,1,0,1,0,0|2,0,0]=4 8381 B19R1.342 CCCCCCCCCCCNC(=O)C1CCOC1 11a_200011215754_100011219752 [0,1,0,1,0,0|2,0,0]=4 8382 B19R1.342 CCCCCCCCCCCNC(=O)C1CCOC1 1626a_200011215754_100011219752 [0,1,0,1,0,0|2,0,0]=4 8383 B19R1.342 CCCCCCCCCCCNC(=O)C1CCOC1 240690a_200011215754_100011219752 [0,1,0,1,0,0|2,0,0]=4 8384 B19R1.342 CCCCCCCCCCCNC(=O)C1CCOC1 527a_200011215754_100011219752 [0,1,0,1,0,0|2,0,0]=4 8385 B19R1.342 CCCCCCCCCCCNC(=O)N1CCCC1 2708a_200011215754_100000188435 [0,1,0,1,0,0|1,0,0]=3 8386 B19R1.342 CCCCCCCCCCCNC(=O)N1CCCC1 273464a_200011215754_100000188435 [0,1,0,1,0,0|1,0,0]=3 8387 B19R1.342 CCCCCCCCCCCNC(=O)N1CCSC1 2708a_200011215754_100011215254 [0,1,0,1,0,0|2,0,0]=4 8388 B19R1.342 CCCCCCCCCCCNC(=O)N1CCSC1 273464a_200011215754_100011215254 [0,1,0,1,0,0|2,0,0]=4 8389 B19R1.342 CCCCCCCCCCCNC(=O)[C@@H]1CCCO1 11a_200011215754_100000686382 [0,1,0,1,0,0|2,0,0]=4 8390 B19R1.342 CCCCCCCCCCCNC(=O)[C@@H]1CCCO1 1626a_200011215754_100000686382 [0,1,0,1,0,0|2,0,0]=4 8391 B19R1.342 CCCCCCCCCCCNC(=O)[C@@H]1CCCO1 240690a_200011215754_100000686382 [0,1,0,1,0,0|2,0,0]=4 8392 B19R1.342 CCCCCCCCCCCNC(=O)[C@@H]1CCCO1 527a_200011215754_100000686382 [0,1,0,1,0,0|2,0,0]=4 8393 B19R1.342 CCCCCCCCCCNCC(=O)N1CCCC1 2230a_100000684558_100000183516 [0,1,0,1,0,0|1,0,0]=3 8394 B19R1.342 CCCCCCCCCCNCC(=O)N1CCCC1 2230a_100000751844_100000210320 [0,1,0,1,0,0|1,0,0]=3 8395 B19R1.342 CCCCCCCCCCNCC(=O)N1CCCC1 34a_100000684558_100000183516 [0,1,0,1,0,0|1,0,0]=3 8396 B19R1.342 CCCCCCCCCCOCC(=O)N1CCCC1 34a_100000210711_100000183516 [0,1,0,1,0,0|1,0,0]=3 8397 B19R1.342 CCCCCCCCCCOCC(=O)N1CCCC1 7a_100000210711_100000183516 [0,1,0,1,0,0|1,0,0]=3 8398 B19R1.342 CCCCCCCCCCOCC(=O)N1CCCC1 7a_200000752455_100000210320 [0,1,0,1,0,0|1,0,0]=3 8399 B19R1.342 CCCCCCCCCCSCC(=O)N1CCCC1 62a_100000183516_100000210320 [0,1,0,1,0,0|1,0,0]=3 8400 B19R1.342 CCCCCCCCCNCCC(=O)N1CCCC1 2230a_100000212291_100011194422 [0,1,0,1,0,0|1,0,0]=3 8401 B19R1.342 CCCCCCCCCNCCC(=O)N1CCCC1 34a_100000212291_100011194422 [0,1,0,1,0,0|1,0,0]=3 8402 B19R1.342 CCCCCCCCCOCCC(=O)N1CCCC1 34a_100000210712_100011194422 [0,1,0,1,0,0|1,0,0]=3 8403 B19R1.342 CCCCCCCCCOCCC(=O)N1CCCC1 7a_100000210712_100011194422 [0,1,0,1,0,0|1,0,0]=3 8404 B19R1.342 CCCCCCCCCSCCC(=O)N1CCCC1 62a_100011194422_100000210670 [0,1,0,1,0,0|1,0,0]=3 8405 B19R1.342 CCCCCCOCCOCCC(=O)N1CCCC1 34a_100000691444_100011194422 [0,1,0,1,0,0|2,0,0]=4 8406 B19R1.342 CCCCCCOCCOCCC(=O)N1CCCC1 7a_100000691444_100011194422 [0,1,0,1,0,0|2,0,0]=4 8407 B19R1.342 CCCCNCCCCOCCC(=O)N1CCCC1 34a_200011216965_100011194422 [0,1,0,1,0,0|2,0,0]=4 8408 B19R1.342 CCCCOCCCCOCCC(=O)N1CCCC1 34a_200000760531_100011194422 [0,1,0,1,0,0|2,0,0]=4 8409 B19R1.342 CCCCOCCCCOCCC(=O)N1CCCC1 7a_200000760531_100011194422 [0,1,0,1,0,0|2,0,0]=4 8410 B19R1.342 NCCCCCCCCCOCC(=O)N1CCCC1 34a_100000078944_100000183516 [0,1,0,1,0,0|2,0,0]=4 8411 B19R1.342 NCCCCCCCCOCCC(=O)N1CCCC1 34a_102515433106_100011194422 [0,1,0,1,0,0|2,0,0]=4 8412 B19R1.342 O=C(CCCCCCCCCCCO)C1=CCCC1 1458a_100000038896_100009812471 [0,1,0,1,0,0|1,0,1]=4 8413 B19R1.342 O=C(CCCCCCCCCCCO)C1CCCC1 1458a_100000210718_100009812471 [0,1,0,1,0,0|1,0,0]=3 8414 B19R1.342 O=C(CCCCCCCCCCCO)C1CCCS1 1458a_100012002731_100009812471 [0,1,0,1,0,0|2,0,0]=4 8415 B19R1.342 O=C(CCCCCCCCCCCO)C1CCOC1 1458a_100011219752_100009812471 [0,1,0,1,0,0|2,0,0]=4 8416 B19R1.342 O=C(CCCCCCCCCCCO)N1CCCC1 240690a_100000188435_100000037981 [0,1,0,1,0,0|1,0,0]=3 8417 B19R1.342 O=C(CCCCCCCCCCCO)N1CCSC1 240690a_100011215254_100000037981 [0,1,0,1,0,0|2,0,0]=4 8418 B19R1.342 O=C(CCCCCCCCCCCO)[C@@H]1CCCO1 1458a_100000686382_100009812471 [0,1,0,1,0,0|2,0,0]=4 8419 B19R1.342 O=C(CCNCCCCCCCCO)N1CCCC1 2230a_102515433106_100011194422 [0,1,0,1,0,0|2,0,0]=4 8420 B19R1.342 O=C(CCNCCCCCCCCO)N1CCCC1 34a_102515433106_100011194422 [0,1,0,1,0,0|2,0,0]=4 8421 B19R1.342 O=C(CCOCCCCCCCCBr)N1CCCC1 34a_100009813846_100011194422 [0,1,0,1,0,0|2,0,0]=4 8422 B19R1.342 O=C(CCOCCCCCCCCBr)N1CCCC1 7a_100009813846_100011194422 [0,1,0,1,0,0|2,0,0]=4 8423 B19R1.342 O=C(CCOCCCCCCCCCl)N1CCCC1 34a_100000033203_100011194422 [0,1,0,1,0,0|2,0,0]=4 8424 B19R1.342 O=C(CCOCCCCCCCCCl)N1CCCC1 7a_100000033203_100011194422 [0,1,0,1,0,0|2,0,0]=4 8425 B19R1.342 O=C(CCSCCCCCCCCO)N1CCCC1 62a_100000033203_100011194422 [0,1,0,1,0,0|2,0,0]=4 8426 B19R1.342 O=C(CCSCCCCCCCCO)N1CCCC1 62a_100011194422_100000033203 [0,1,0,1,0,0|2,0,0]=4 8427 B19R1.342 O=C(CNCCCCCCCCCO)N1CCCC1 2230a_100000078944_100000183516 [0,1,0,1,0,0|2,0,0]=4 8428 B19R1.342 O=C(CNCCCCCCCCCO)N1CCCC1 2230a_100000751844_100009813782 [0,1,0,1,0,0|2,0,0]=4 8429 B19R1.342 O=C(CNCCCCCCCCCO)N1CCCC1 34a_100000078944_100000183516 [0,1,0,1,0,0|2,0,0]=4 8430 B19R1.342 O=C(COCCCCCCCCCBr)N1CCCC1 34a_100009813782_100000183516 [0,1,0,1,0,0|2,0,0]=4 8431 B19R1.342 O=C(COCCCCCCCCCBr)N1CCCC1 7a_100009813782_100000183516 [0,1,0,1,0,0|2,0,0]=4 8432 B19R1.342 O=C(COCCCCCCCCCCl)N1CCCC1 34a_100009868337_100000183516 [0,1,0,1,0,0|2,0,0]=4 8433 B19R1.342 O=C(COCCCCCCCCCCl)N1CCCC1 7a_100009868337_100000183516 [0,1,0,1,0,0|2,0,0]=4 8434 B19R1.342 O=C(COCCCCCCCCCO)N1CCCC1 7a_200000752455_100009813782 [0,1,0,1,0,0|2,0,0]=4 8435 B19R1.342 O=C(CSCCCCCCCCCO)N1CCCC1 62a_100000183516_100009813782 [0,1,0,1,0,0|2,0,0]=4 8436 B19R1.342 O=C(CSCCCCCCCCCO)N1CCCC1 62a_100009813782_100000183516 [0,1,0,1,0,0|2,0,0]=4 8437 B19R1.342 O=C(NCCCCCCCCCCO)C1CCCC1 240690a_100000066964_100000210718 [0,1,0,1,0,0|2,0,0]=4 8438 B19R1.342 O=C(NCCCCCCCCCCO)N1CCCC1 2708a_100000066964_100000188435 [0,1,0,1,0,0|2,0,0]=4 8439 B19R1.342 O=C(NCCCCCCCCCCO)N1CCCC1 273464a_100000066964_100000188435 [0,1,0,1,0,0|2,0,0]=4 8440 B19R1.1853 CCCCOC(=O)COCC1CCCCN1CCN 34a_100011473795_100000211628 [0,1,0,1,0,0|2,0,0]=4 8441 B19R1.10504 CCC1CCCCN1CCNCC(=O)OCCOC 2230a_100000755458_200000040189 [0,1,0,1,0,0|2,0,0]=4 8442 B19R1.10504 CCC1CCCCN1CCNCC(=O)OCCOC 34a_100000755458_200000040189 [0,1,0,1,0,0|2,0,0]=4 8443 B19R1.10504 CCCCCC(=O)CNCCN1CCCCC1CC 2230a_100000755458_200012276598 [0,1,0,1,0,0|2,0,0]=4 8444 B19R1.10504 CCCCCC(=O)CNCCN1CCCCC1CC 34a_100000755458_200012276598 [0,1,0,1,0,0|2,0,0]=4 8445 B19R1.10504 CCCCCC(=O)NCCCN1CCCCC1CC 11a_100011191702_100000212188 [0,1,0,1,0,0|2,0,0]=4 8446 B19R1.10504 CCCCCC(=O)NCCCN1CCCCC1CC 1626a_100011191702_100000212188 [0,1,0,1,0,0|2,0,0]=4 8447 B19R1.10504 CCCCCC(=O)NCCCN1CCCCC1CC 240690a_100011191702_100000212188 [0,1,0,1,0,0|2,0,0]=4 8448 B19R1.10504 CCCCCC(=O)NCCCN1CCCCC1CC 527a_100011191702_100000212188 [0,1,0,1,0,0|2,0,0]=4 8449 B19R1.10504 CCCCNC(=O)CNCCN1CCCCC1CC 2230a_100000755458_100000182744 [0,1,0,1,0,0|2,0,0]=4 8450 B19R1.10504 CCCCNC(=O)CNCCN1CCCCC1CC 34a_100000755458_100000182744 [0,1,0,1,0,0|2,0,0]=4 8451 B19R1.10504 CCCCNC(=O)NCCCN1CCCCC1CC 2708a_100000102301_100011191702 [0,1,0,1,0,0|2,0,0]=4 8452 B19R1.10504 CCCCNC(=O)NCCCN1CCCCC1CC 2708a_100011191702_100000102301 [0,1,0,1,0,0|2,0,0]=4 8453 B19R1.10504 CCCCNC(=O)NCCCN1CCCCC1CC 273464a_100000102301_100011191702 [0,1,0,1,0,0|2,0,0]=4 8454 B19R1.10504 CCCCNC(=O)NCCCN1CCCCC1CC 273464a_100011191702_100000102301 [0,1,0,1,0,0|2,0,0]=4 8455 B19R1.10504 CCCCNC(=O)NCCCN1CCCCC1CC 512a_100000102301_100011191702 [0,1,0,1,0,0|2,0,0]=4 8456 B19R1.10504 CCCCOC(=O)CNCCN1CCCCC1CC 2230a_100000755458_100000211628 [0,1,0,1,0,0|1,0,0]=3 8457 B19R1.10504 CCCCOC(=O)CNCCN1CCCCC1CC 34a_100000755458_100000211628 [0,1,0,1,0,0|1,0,0]=3 8458 B19R1.10504 CCCCOC(=O)CNCCN1CCCCC1CO 2230a_100011473795_100000211628 [0,1,0,1,0,0|2,0,0]=4 8459 B19R1.10504 CCCCOC(=O)CNCCN1CCCCC1CO 34a_100011473795_100000211628 [0,1,0,1,0,0|2,0,0]=4 8460 B19R1.16479 C=CCCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100011093070 [0,1,0,1,0,0|1,0,1]=4 8461 B19R1.16479 CCC1CC1C(=O)CCCCCCCCCCCO 1458a_200011661523_100009812471 [0,1,0,1,0,0|1,0,0]=3 8462 B19R1.16479 CCC1CC1C(=O)NCCCCCCCCCCO 240690a_100000066964_200011661523 [0,1,0,1,0,0|2,0,0]=4 8463 B19R1.16479 CCCCC#CCCCCCCC(=O)C1CC1CC 1458a_200011661523_200000043322 [0,1,0,1,0,0|1,0,1]=4 8464 B19R1.16479 CCCCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100000759014 [0,1,0,1,0,0|1,0,0]=3 8465 B19R1.16479 CCCCCCCCCCCNC(=O)C1CC1CC 11a_200011215754_200011661523 [0,1,0,1,0,0|1,0,0]=3 8466 B19R1.16479 CCCCCCCCCCCNC(=O)C1CC1CC 1626a_200011215754_200011661523 [0,1,0,1,0,0|1,0,0]=3 8467 B19R1.16479 CCCCCCCCCCCNC(=O)C1CC1CC 240690a_200011215754_200011661523 [0,1,0,1,0,0|1,0,0]=3 8468 B19R1.16479 CCCCCCCCCCCNC(=O)C1CC1CC 527a_200011215754_200011661523 [0,1,0,1,0,0|1,0,0]=3 8469 B19R1.16480 CCCCCCCCCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011215791 [0,1,0,1,0,0|2,0,0]=4 8470 B19R1.16480 CCCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100011215791 [0,1,0,1,0,0|2,0,0]=4 8471 B19R1.16480 CCCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100011215791 [0,1,0,1,0,0|2,0,0]=4 8472 B19R1.16480 CCCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011215791 [0,1,0,1,0,0|2,0,0]=4 8473 B19R1.16480 CCCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 2708a_200011215754_100015190264 [0,1,0,1,0,0|2,0,0]=4 8474 B19R1.16480 CCCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_200011215754 [0,1,0,1,0,0|2,0,0]=4 8475 B19R1.16480 CCCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_200011215754_100015190264 [0,1,0,1,0,0|2,0,0]=4 8476 B19R1.16480 CCCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 512a_200011215754_100015190264 [0,1,0,1,0,0|2,0,0]=4 8477 B19R1.16480 CCCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 2708a_200011215754_100025746932 [0,1,0,1,0,0|2,0,0]=4 8478 B19R1.16480 CCCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 273464a_200011215754_100025746932 [0,1,0,1,0,0|2,0,0]=4 8479 B19R1.16480 CCCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_200011215754 [0,1,0,1,0,0|2,0,0]=4 8480 B19R1.16480 CCCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 512a_200011215754_100025746932 [0,1,0,1,0,0|2,0,0]=4 8481 B19R1.16480 O=C(CCCCCCCCCCCO)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000037981 [0,1,0,1,0,0|2,0,0]=4 8482 B19R1.16480 O=C(CCCCCCCCCCCO)N[C@@H]1C[C@H]1F 240690a_100025746932_100000037981 [0,1,0,1,0,0|2,0,0]=4 8483 B19R1.16481 C=CCCCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100011093070 [0,1,0,1,0,0|1,0,1]=4 8484 B19R1.16481 CCCCC#CCCCCCCC(=O)CC1CCC1 1458a_100000763092_200000043322 [0,1,0,1,0,0|1,0,1]=4 8485 B19R1.16481 CCCCCCCCCCC=CC(=O)NC1CCC1 11a_100000749019_100015291182 [0,1,0,1,0,0|1,0,1]=4 8486 B19R1.16481 CCCCCCCCCCC=CC(=O)NC1CCC1 1626a_100000749019_100015291182 [0,1,0,1,0,0|1,0,1]=4 8487 B19R1.16481 CCCCCCCCCCC=CC(=O)NC1CCC1 240690a_100000749019_100015291182 [0,1,0,1,0,0|1,0,1]=4 8488 B19R1.16481 CCCCCCCCCCCCC(=O)C=C1CCC1 1458a_100000686340_100000759014 [0,1,0,1,0,0|1,0,1]=4 8489 B19R1.16481 CCCCCCCCCCCCC(=O)CC1CCO1 1458a_100011215791_100000103362 [0,1,0,1,0,0|2,0,0]=4 8490 B19R1.16481 CCCCCCCCCCCCC(=O)CC1COC1 1458a_100000687760_100000759014 [0,1,0,1,0,0|2,0,0]=4 8491 B19R1.16481 CCCCCCCCCCCCC(=O)CC1COC1 1458a_100011215791_100010264016 [0,1,0,1,0,0|2,0,0]=4 8492 B19R1.16481 CCCCCCCCCCCCC(=O)NC1CCC1 11a_100000749019_100011215791 [0,1,0,1,0,0|1,0,0]=3 8493 B19R1.16481 CCCCCCCCCCCCC(=O)NC1CCC1 1626a_100000749019_100011215791 [0,1,0,1,0,0|1,0,0]=3 8494 B19R1.16481 CCCCCCCCCCCCC(=O)NC1CCC1 240690a_100000749019_100011215791 [0,1,0,1,0,0|1,0,0]=3 8495 B19R1.16481 CCCCCCCCCCCCC(=O)NC1COC1 11a_100016991112_100011215791 [0,1,0,1,0,0|2,0,0]=4 8496 B19R1.16481 CCCCCCCCCCCCC(=O)NC1COC1 1626a_100016991112_100011215791 [0,1,0,1,0,0|2,0,0]=4 8497 B19R1.16481 CCCCCCCCCCCCC(=O)NC1COC1 240690a_100016991112_100011215791 [0,1,0,1,0,0|2,0,0]=4 8498 B19R1.16481 CCCCCCCCCCCCC(=O)NC1CSC1 11a_100016994217_100011215791 [0,1,0,1,0,0|2,0,0]=4 8499 B19R1.16481 CCCCCCCCCCCCC(=O)NC1CSC1 1626a_100016994217_100011215791 [0,1,0,1,0,0|2,0,0]=4 8500 B19R1.16481 CCCCCCCCCCCCC(=O)NC1CSC1 240690a_100016994217_100011215791 [0,1,0,1,0,0|2,0,0]=4 8501 B19R1.16481 CCCCCCCCCCCNC(=O)C=C1CCC1 11a_200011215754_100000686340 [0,1,0,1,0,0|1,0,1]=4 8502 B19R1.16481 CCCCCCCCCCCNC(=O)C=C1CCC1 240690a_200011215754_100000686340 [0,1,0,1,0,0|1,0,1]=4 8503 B19R1.16481 CCCCCCCCCCCNC(=O)CC1CCC1 11a_200011215754_100000763092 [0,1,0,1,0,0|1,0,0]=3 8504 B19R1.16481 CCCCCCCCCCCNC(=O)CC1CCC1 1626a_200011215754_100000763092 [0,1,0,1,0,0|1,0,0]=3 8505 B19R1.16481 CCCCCCCCCCCNC(=O)CC1CCC1 240690a_200011215754_100000763092 [0,1,0,1,0,0|1,0,0]=3 8506 B19R1.16481 CCCCCCCCCCCNC(=O)CC1CCC1 527a_200011215754_100000763092 [0,1,0,1,0,0|1,0,0]=3 8507 B19R1.16481 CCCCCCCCCCCNC(=O)CC1COC1 11a_200011215754_100000687760 [0,1,0,1,0,0|2,0,0]=4 8508 B19R1.16481 CCCCCCCCCCCNC(=O)CC1COC1 1626a_200011215754_100000687760 [0,1,0,1,0,0|2,0,0]=4 8509 B19R1.16481 CCCCCCCCCCCNC(=O)NC1CCC1 2708a_200011215754_100000749019 [0,1,0,1,0,0|1,0,0]=3 8510 B19R1.16481 CCCCCCCCCCCNC(=O)NC1CCC1 273464a_100000749019_200011215754 [0,1,0,1,0,0|1,0,0]=3 8511 B19R1.16481 CCCCCCCCCCCNC(=O)NC1CCC1 273464a_200011215754_100000749019 [0,1,0,1,0,0|1,0,0]=3 8512 B19R1.16481 CCCCCCCCCCCNC(=O)NC1CCC1 512a_100000749019_200011215754 [0,1,0,1,0,0|1,0,0]=3 8513 B19R1.16481 CCCCCCCCCCCNC(=O)NC1CCC1 512a_200011215754_100000749019 [0,1,0,1,0,0|1,0,0]=3 8514 B19R1.16481 CCCCCCCCCCCNC(=O)NC1COC1 2708a_100016991112_200011215754 [0,1,0,1,0,0|2,0,0]=4 8515 B19R1.16481 CCCCCCCCCCCNC(=O)NC1COC1 2708a_200011215754_100016991112 [0,1,0,1,0,0|2,0,0]=4 8516 B19R1.16481 CCCCCCCCCCCNC(=O)NC1COC1 273464a_100016991112_200011215754 [0,1,0,1,0,0|2,0,0]=4 8517 B19R1.16481 CCCCCCCCCCCNC(=O)NC1COC1 273464a_200011215754_100016991112 [0,1,0,1,0,0|2,0,0]=4 8518 B19R1.16481 CCCCCCCCCCCNC(=O)NC1COC1 512a_100016991112_200011215754 [0,1,0,1,0,0|2,0,0]=4 8519 B19R1.16481 CCCCCCCCCCCNC(=O)NC1COC1 512a_200011215754_100016991112 [0,1,0,1,0,0|2,0,0]=4 8520 B19R1.16481 CCCCCCCCCCCNC(=O)NC1CSC1 2708a_100016994217_200011215754 [0,1,0,1,0,0|2,0,0]=4 8521 B19R1.16481 CCCCCCCCCCCNC(=O)NC1CSC1 2708a_200011215754_100016994217 [0,1,0,1,0,0|2,0,0]=4 8522 B19R1.16481 CCCCCCCCCCCNC(=O)NC1CSC1 273464a_100016994217_200011215754 [0,1,0,1,0,0|2,0,0]=4 8523 B19R1.16481 CCCCCCCCCCCNC(=O)NC1CSC1 273464a_200011215754_100016994217 [0,1,0,1,0,0|2,0,0]=4 8524 B19R1.16481 CCCCCCCCCCCNC(=O)NC1CSC1 512a_100016994217_200011215754 [0,1,0,1,0,0|2,0,0]=4 8525 B19R1.16481 CCCCCCCCCCCNC(=O)NC1CSC1 512a_200011215754_100016994217 [0,1,0,1,0,0|2,0,0]=4 8526 B19R1.16481 O=C(C=C1CCC1)CCCCCCCCCCCO 1458a_100000686340_100009812471 [0,1,0,1,0,0|1,0,1]=4 8527 B19R1.16481 O=C(CC1CCC1)NCCCCCCCCCCO 240690a_100000066964_100000763092 [0,1,0,1,0,0|2,0,0]=4 8528 B19R1.16481 O=C(CCCCCCCCCCCO)CC1CCC1 1458a_100000763092_100009812471 [0,1,0,1,0,0|1,0,0]=3 8529 B19R1.16481 O=C(CCCCCCCCCCCO)CC1COC1 1458a_100000687760_100009812471 [0,1,0,1,0,0|2,0,0]=4 8530 B19R1.16481 O=C(CCCCCCCCCCCO)NC1CCC1 240690a_100000749019_100000037981 [0,1,0,1,0,0|1,0,0]=3 8531 B19R1.16481 O=C(CCCCCCCCCCCO)NC1COC1 240690a_100016991112_100000037981 [0,1,0,1,0,0|2,0,0]=4 8532 B19R1.16481 O=C(CCCCCCCCCCCO)NC1CSC1 240690a_100016994217_100000037981 [0,1,0,1,0,0|2,0,0]=4 8533 B19R1.16481 O=C(NCCCCCCCCCCO)NC1CCC1 2708a_100000066964_100000749019 [0,1,0,1,0,0|2,0,0]=4 8534 B19R1.16481 O=C(NCCCCCCCCCCO)NC1CCC1 273464a_100000066964_100000749019 [0,1,0,1,0,0|2,0,0]=4 8535 B19R1.16481 O=C(NCCCCCCCCCCO)NC1CCC1 273464a_100000749019_100000066964 [0,1,0,1,0,0|2,0,0]=4 8536 B19R1.16481 O=C(NCCCCCCCCCCO)NC1CCC1 512a_100000066964_100000749019 [0,1,0,1,0,0|2,0,0]=4 8537 B19R1.16481 O=C(NCCCCCCCCCCO)NC1CCC1 512a_100000749019_100000066964 [0,1,0,1,0,0|2,0,0]=4 8538 B19R1.16482 C=CCCCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100011093070 [0,1,0,1,0,0|1,0,1]=4 8539 B19R1.16482 CCCCC#CCCCCCCC(=O)CCC1CC1 1458a_100000756386_200000043322 [0,1,0,1,0,0|1,0,1]=4 8540 B19R1.16482 CCCCCCCCCCC=CC(=O)NCC1CC1 11a_100000735609_100015291182 [0,1,0,1,0,0|1,0,1]=4 8541 B19R1.16482 CCCCCCCCCCC=CC(=O)NCC1CC1 1626a_100000735609_100015291182 [0,1,0,1,0,0|1,0,1]=4 8542 B19R1.16482 CCCCCCCCCCC=CC(=O)NCC1CC1 240690a_100000735609_100015291182 [0,1,0,1,0,0|1,0,1]=4 8543 B19R1.16482 CCCCCCCCCCCCC(=O)C=CC1CC1 1458a_100102529529_100000759014 [0,1,0,1,0,0|1,0,1]=4 8544 B19R1.16482 CCCCCCCCCCCCC(=O)CCC1CO1 1458a_100011215791_100000732470 [0,1,0,1,0,0|2,0,0]=4 8545 B19R1.16482 CCCCCCCCCCCCC(=O)NCC1CC1 11a_100000735609_100011215791 [0,1,0,1,0,0|1,0,0]=3 8546 B19R1.16482 CCCCCCCCCCCCC(=O)NCC1CC1 1626a_100000735609_100011215791 [0,1,0,1,0,0|1,0,0]=3 8547 B19R1.16482 CCCCCCCCCCCCC(=O)NCC1CC1 240690a_100000735609_100011215791 [0,1,0,1,0,0|1,0,0]=3 8548 B19R1.16482 CCCCCCCCCCCCC(=O)NNC1CC1 22a_100000701032_100011215791 [0,1,0,1,0,0|2,0,0]=4 8549 B19R1.16482 CCCCCCCCCCCNC(=O)C=CC1CC1 11a_200011215754_100102529529 [0,1,0,1,0,0|1,0,1]=4 8550 B19R1.16482 CCCCCCCCCCCNC(=O)C=CC1CC1 1626a_200011215754_100102529529 [0,1,0,1,0,0|1,0,1]=4 8551 B19R1.16482 CCCCCCCCCCCNC(=O)C=CC1CC1 240690a_200011215754_100102529529 [0,1,0,1,0,0|1,0,1]=4 8552 B19R1.16482 CCCCCCCCCCCNC(=O)CCC1CC1 11a_200011215754_100000756386 [0,1,0,1,0,0|1,0,0]=3 8553 B19R1.16482 CCCCCCCCCCCNC(=O)CCC1CC1 1626a_200011215754_100000756386 [0,1,0,1,0,0|1,0,0]=3 8554 B19R1.16482 CCCCCCCCCCCNC(=O)CCC1CC1 240690a_200011215754_100000756386 [0,1,0,1,0,0|1,0,0]=3 8555 B19R1.16482 CCCCCCCCCCCNC(=O)CCC1CC1 527a_200011215754_100000756386 [0,1,0,1,0,0|1,0,0]=3 8556 B19R1.16482 CCCCCCCCCCCNC(=O)NCC1CC1 2708a_100000735609_200011215754 [0,1,0,1,0,0|1,0,0]=3 8557 B19R1.16482 CCCCCCCCCCCNC(=O)NCC1CC1 2708a_200011215754_100000735609 [0,1,0,1,0,0|1,0,0]=3 8558 B19R1.16482 CCCCCCCCCCCNC(=O)NCC1CC1 273464a_100000735609_200011215754 [0,1,0,1,0,0|1,0,0]=3 8559 B19R1.16482 CCCCCCCCCCCNC(=O)NCC1CC1 273464a_200011215754_100000735609 [0,1,0,1,0,0|1,0,0]=3 8560 B19R1.16482 CCCCCCCCCCCNC(=O)NCC1CC1 512a_100000735609_200011215754 [0,1,0,1,0,0|1,0,0]=3 8561 B19R1.16482 CCCCCCCCCCCNC(=O)NCC1CC1 512a_200011215754_100000735609 [0,1,0,1,0,0|1,0,0]=3 8562 B19R1.16482 CCCCCCCCCCCNC(=O)NNC1CC1 273464a_200011215754_100000701032 [0,1,0,1,0,0|2,0,0]=4 8563 B19R1.16482 CCCCCCCCCCCNC(=O)NNC1CC1 512a_100000701032_200011215754 [0,1,0,1,0,0|2,0,0]=4 8564 B19R1.16482 CCCCCCCCCCCNC(=O)NNC1CC1 512a_200011215754_100000701032 [0,1,0,1,0,0|2,0,0]=4 8565 B19R1.16482 O=C(C=CC1CC1)CCCCCCCCCCCO 1458a_100102529529_100009812471 [0,1,0,1,0,0|1,0,1]=4 8566 B19R1.16482 O=C(CCC1CC1)NCCCCCCCCCCO 240690a_100000066964_100000756386 [0,1,0,1,0,0|2,0,0]=4 8567 B19R1.16482 O=C(CCCCCCCCCCCO)CCC1CC1 1458a_100000756386_100009812471 [0,1,0,1,0,0|1,0,0]=3 8568 B19R1.16482 O=C(CCCCCCCCCCCO)NCC1CC1 240690a_100000735609_100000037981 [0,1,0,1,0,0|1,0,0]=3 8569 B19R1.16482 O=C(CCCCCCCCCCCO)NNC1CC1 22a_100000701032_100000037981 [0,1,0,1,0,0|2,0,0]=4 8570 B19R1.16482 O=C(NCCCCCCCCCCO)NCC1CC1 2708a_100000066964_100000735609 [0,1,0,1,0,0|2,0,0]=4 8571 B19R1.16482 O=C(NCCCCCCCCCCO)NCC1CC1 2708a_100000735609_100000066964 [0,1,0,1,0,0|2,0,0]=4 8572 B19R1.16482 O=C(NCCCCCCCCCCO)NCC1CC1 273464a_100000066964_100000735609 [0,1,0,1,0,0|2,0,0]=4 8573 B19R1.16482 O=C(NCCCCCCCCCCO)NCC1CC1 273464a_100000735609_100000066964 [0,1,0,1,0,0|2,0,0]=4 8574 B19R1.16482 O=C(NCCCCCCCCCCO)NCC1CC1 512a_100000066964_100000735609 [0,1,0,1,0,0|2,0,0]=4 8575 B19R1.16482 O=C(NCCCCCCCCCCO)NCC1CC1 512a_100000735609_100000066964 [0,1,0,1,0,0|2,0,0]=4 8576 B19R1.16483 CC1CCN1C(=O)CCCCCCCCCCCO 240690a_100000755817_100000037981 [0,1,0,1,0,0|1,0,0]=3 8577 B19R1.16483 CC1CCN1C(=O)NCCCCCCCCCCO 2708a_100000066964_100000755817 [0,1,0,1,0,0|2,0,0]=4 8578 B19R1.16483 CC1CCN1C(=O)NCCCCCCCCCCO 273464a_100000066964_100000755817 [0,1,0,1,0,0|2,0,0]=4 8579 B19R1.16483 CCCCCCCCCCC=CC(=O)N1CCC1C 11a_100000755817_100015291182 [0,1,0,1,0,0|1,0,1]=4 8580 B19R1.16483 CCCCCCCCCCC=CC(=O)N1CCC1C 240690a_100000755817_100015291182 [0,1,0,1,0,0|1,0,1]=4 8581 B19R1.16483 CCCCCCCCCCCCC(=O)N1CCC1C 11a_100000755817_100011215791 [0,1,0,1,0,0|1,0,0]=3 8582 B19R1.16483 CCCCCCCCCCCCC(=O)N1CCC1C 240690a_100000755817_100011215791 [0,1,0,1,0,0|1,0,0]=3 8583 B19R1.16483 CCCCCCCCCCCNC(=O)N1CCC1C 2708a_200011215754_100000755817 [0,1,0,1,0,0|1,0,0]=3 8584 B19R1.16483 CCCCCCCCCCCNC(=O)N1CCC1C 273464a_200011215754_100000755817 [0,1,0,1,0,0|1,0,0]=3 8585 B19R1.54594 CCCCCC(=O)CN1CCCCC1CCCOC 2230a_100011804088_200012276598 [0,1,0,1,0,0|2,0,0]=4 8586 B19R1.54594 CCCCCC(=O)CN1CCCCC1CCCOC 269982a_100011804088_200012276598 [0,1,0,1,0,0|2,0,0]=4 8587 B19R1.54594 CCCCCC(=O)CN1CCCCC1CCCOC 34a_100011804088_200012276598 [0,1,0,1,0,0|2,0,0]=4 8588 B19R1.54594 CCCCNC(=O)CN1CCCCC1CCCOC 2230a_100011804088_100000182744 [0,1,0,1,0,0|2,0,0]=4 8589 B19R1.54594 CCCCNC(=O)CN1CCCCC1CCCOC 269982a_100011804088_100000182744 [0,1,0,1,0,0|2,0,0]=4 8590 B19R1.54594 CCCCNC(=O)CN1CCCCC1CCCOC 34a_100011804088_100000182744 [0,1,0,1,0,0|2,0,0]=4 8591 B19R1.54594 CCCCOC(=O)CN1CCCCC1CCCOC 2230a_100011804088_100000211628 [0,1,0,1,0,0|1,0,0]=3 8592 B19R1.54594 CCCCOC(=O)CN1CCCCC1CCCOC 269982a_100011804088_100000211628 [0,1,0,1,0,0|1,0,0]=3 8593 B19R1.54594 CCCCOC(=O)CN1CCCCC1CCCOC 34a_100011804088_100000211628 [0,1,0,1,0,0|1,0,0]=3 8594 B19R1.54594 COCCCC1CCCCN1CC(=O)OCCOC 2230a_100011804088_200000040189 [0,1,0,1,0,0|2,0,0]=4 8595 B19R1.54594 COCCCC1CCCCN1CC(=O)OCCOC 269982a_100011804088_200000040189 [0,1,0,1,0,0|2,0,0]=4 8596 B19R1.54594 COCCCC1CCCCN1CC(=O)OCCOC 34a_100011804088_200000040189 [0,1,0,1,0,0|2,0,0]=4 8597 B19R1.63651 CCCCCC(=O)CNCCC1CCCCCCC1 2230a_100011532352_200012276598 [0,1,0,1,0,0|1,0,0]=3 8598 B19R1.63651 CCCCCC(=O)CNCCC1CCCCCCC1 34a_100011532352_200012276598 [0,1,0,1,0,0|1,0,0]=3 8599 B19R1.63651 CCCCNC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000182744 [0,1,0,1,0,0|1,0,0]=3 8600 B19R1.63651 CCCCNC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000182744 [0,1,0,1,0,0|1,0,0]=3 8601 B19R1.63651 CCCCOC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000211628 [0,1,0,1,0,0|0,0,0]=2 8602 B19R1.63651 CCCCOC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000211628 [0,1,0,1,0,0|0,0,0]=2 8603 B19R1.63651 COCCNC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000183275 [0,1,0,1,0,0|2,0,0]=4 8604 B19R1.63651 COCCNC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000183275 [0,1,0,1,0,0|2,0,0]=4 8605 B19R1.63651 COCCOC(=O)CNCCC1CCCCCCC1 2230a_100011532352_200000040189 [0,1,0,1,0,0|1,0,0]=3 8606 B19R1.63651 COCCOC(=O)CNCCC1CCCCCCC1 34a_100011532352_200000040189 [0,1,0,1,0,0|1,0,0]=3 8607 B19R1.186939 CCCCCCCCCNCC1C(=CCCC1C)C 270004a_100000212291_100000066159 [0,1,0,1,0,0|2,0,0]=4 8608 B19R1.1335 CCCCCC(=O)COCCC(N)C1CCCCC1 34a_200020622111_200012276598 [0,1,0,1,0,0|2,0,0]=4 8609 B19R1.1335 CCCCNC(=O)COCCC(N)C1CCCCC1 34a_200020622111_100000182744 [0,1,0,1,0,0|2,0,0]=4 8610 B19R1.1335 CCCCOC(=O)COCCC(N)C1CCCCC1 34a_200020622111_100000211628 [0,1,0,1,0,0|1,0,0]=3 8611 B19R1.1335 COCCOC(=O)COCCC(N)C1CCCCC1 34a_200020622111_200000040189 [0,1,0,1,0,0|2,0,0]=4 8612 B19R1.4841 CCCCCCC(C)CCOCC(=O)N1CCCC1 34a_200011024964_100000183516 [0,1,0,1,0,0|2,0,0]=4 8613 B19R1.4841 CCCCCCC(C)CCOCC(=O)N1CCCC1 7a_200011024964_100000183516 [0,1,0,1,0,0|2,0,0]=4 8614 B19R1.8 CCCCOC(=O)COCCCC1CCN(CC1)C 34a_100000083870_100000211628 [0,1,0,1,0,0|2,0,0]=4 8615 B19R1.8 CCCCOC(=O)COCCCC1CCN(CC1)C 7a_100000083870_100000211628 [0,1,0,1,0,0|2,0,0]=4 8616 B19R1.8 CCCCOC(=O)COCCCN1CCC(CC1)C 34a_200000213400_100000211628 [0,1,0,1,0,0|2,0,0]=4 8617 B19R1.961 CCC(C)CCCCCOCCC(=O)N1CCCC1 7a_200000035636_100011194422 [0,1,0,1,0,0|2,0,0]=4 8618 B19R1.3809 CCCCCCCCC(=O)CCC(=O)N1CCCC1 1458a_100000210188_100011194422 [0,1,0,1,0,0|1,0,1]=4 8619 B19R1.3809 CCCCCCCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000210759 [0,1,0,1,0,0|1,0,1]=4 8620 B19R1.3809 CCCCCCCCC(C)NCC(=O)N1CCCC1 270004a_100000751844_100011216694 [0,1,0,1,0,0|2,0,0]=4 8621 B19R1.3809 CCCCCCCCC(C)OCC(=O)N1CCCC1 34a_100000210740_100000183516 [0,1,0,1,0,0|2,0,0]=4 8622 B19R1.3809 CCCCCCCCC(C)OCC(=O)N1CCCC1 7a_100000210740_100000183516 [0,1,0,1,0,0|2,0,0]=4 8623 B19R1.3809 CCCCCCCCN(C)CCC(=O)N1CCCC1 2230a_100000207567_100011194422 [0,1,0,1,0,0|2,0,0]=4 8624 B19R1.3809 CCCCCCCCN(C)CCC(=O)N1CCCC1 269982a_100000207567_100011194422 [0,1,0,1,0,0|2,0,0]=4 8625 B19R1.7188 CCCCOC(=O)COC(C)CNC1CCCCC1 34a_100000202029_100000211628 [0,1,0,1,0,0|2,0,0]=4 8626 B19R1.8119 CCCCCCCCC(C)NC1CCCCNC1=O 270004a_100000698827_100011216694 [0,1,0,1,0,0|2,0,0]=4 8627 B19R1.8119 CCCCCCCCC(C)OC1CCCCCC1=O 7a_100000210740_100000243696 [0,1,0,1,0,0|2,0,0]=4 8628 B19R1.8119 CCCCCCCCC(C)OC1CCCCNC1=O 7a_100000210740_100000735217 [0,1,0,1,0,0|2,0,0]=4 8629 B19R2.7326 O=C1CCCCCC1OCCCC2CCCCC2 7a_100000198086_100000243696 [0,0,0,2,0,0|2,0,0]=4 8630 B19R2.7326 O=C1CCCCCC1SCCCC2CCCCC2 62a_100000243696_100011713725 [0,0,0,2,0,0|2,0,0]=4 8631 B19R2.7326 O=C1CCCCCC1SCCCC2CCCCC2 62a_100011713725_100000243696 [0,0,0,2,0,0|2,0,0]=4 8632 B19R2.7326 O=C1NCCCCC1NCCCC2CCCCC2 2230a_100000698827_100011713725 [0,0,0,2,0,0|2,0,0]=4 8633 B19R2.7326 O=C1NCCCCC1NCCCC2CCCCC2 2230a_100011211642_100000735217 [0,0,0,2,0,0|2,0,0]=4 8634 B19R2.7326 O=C1NCCCCC1NCCCC2CCCCC2 34a_100000698827_100011713725 [0,0,0,2,0,0|2,0,0]=4 8635 B19R2.7326 O=C1NCCCCC1OCCCC2CCCCC2 7a_100000198086_100000735217 [0,0,0,2,0,0|2,0,0]=4 8636 B19R2.7326 O=C1NCCCCC1SCCCC2CCCCC2 62a_100000735217_100011713725 [0,0,0,2,0,0|2,0,0]=4 8637 B19R2.7326 O=C1NCCCCC1SCCCC2CCCCC2 62a_100011713725_100000735217 [0,0,0,2,0,0|2,0,0]=4 8638 B19R2.94460 O=C1CCCCCC1OCC2CCCCCCC2 7a_100011216312_100000243696 [0,0,0,2,0,0|2,0,0]=4 8639 B19R2.94460 O=C1NCCCCC1OCC2CCCCCCC2 7a_100011216312_100000735217 [0,0,0,2,0,0|2,0,0]=4 8640 B19R2.94621 O=C1NCCCCC1NCCC2CCCCCC2 2230a_100011532351_100000735217 [0,0,0,2,0,0|2,0,0]=4 8641 B19R2.94646 O=C1NCCCCC1NC2CCCCCCCC2 270004a_100000698827_100000038600 [0,0,0,2,0,0|2,0,0]=4 8642 B19R2.119816 CCCC1CCCCC1NC2CCCCNC2=O 269862a_100000698827_100011218038 [0,0,0,2,0,0|2,0,0]=4 8643 B19R2.119816 CCCC1CCCCC1NC2CCCCNC2=O 270004a_100000698827_100011218038 [0,0,0,2,0,0|2,0,0]=4 8644 B19R2.119816 CCCC1CCCCC1OC2CCCCCC2=O 7a_100011217265_100000243696 [0,0,0,2,0,0|2,0,0]=4 8645 B19R2.119816 CCCC1CCCCC1OC2CCCCNC2=O 7a_100011217265_100000735217 [0,0,0,2,0,0|2,0,0]=4 8646 B19R2.142558 CCCCC1CCCC1NC2CCCCNC2=O 269862a_100000698827_100000750825 [0,0,0,2,0,0|2,0,0]=4 8647 B19R2.142558 CCCCC1CCCC1NC2CCCCNC2=O 270004a_100000698827_100000750825 [0,0,0,2,0,0|2,0,0]=4 8648 B19R2.1299 CCCCCN1CCCCC1C(=O)N2CCCC2 2230a_100000747121_100000210326 [0,0,0,2,0,0|2,0,0]=4 8649 B19R2.1299 CCCCCN1CCCCC1C(=O)N2CCCC2 269982a_100000747121_100000210215 [0,0,0,2,0,0|2,0,0]=4 8650 B19R2.3396 CCC1CCCCC1NCCC(=O)N2CCCC2 269862a_100015186530_100000757040 [0,0,0,2,0,0|2,0,0]=4 8651 B19R2.3396 CCC1CCCCC1NCCC(=O)N2CCCC2 270004a_100015186530_100000757040 [0,0,0,2,0,0|2,0,0]=4 8652 B19R2.3396 CCC1CCCCC1OCCC(=O)N2CCCC2 34a_100000210738_100011194422 [0,0,0,2,0,0|2,0,0]=4 8653 B19R2.3396 CCC1CCCCC1OCCC(=O)N2CCCC2 7a_100000210738_100011194422 [0,0,0,2,0,0|2,0,0]=4 8654 B19R2.8911 O=C(CCCCCN1CCCCC1)C2CCCC2 1458a_100012051570_100000179811 [0,0,0,2,0,0|2,0,0]=4 8655 B19R2.8911 O=C(CCCCCN1CCCCC1)N2CCCC2 240690a_100000188435_100012051570 [0,0,0,2,0,0|2,0,0]=4 8656 B19R2.8911 O=C(CCNCCC1CCCCC1)N2CCCC2 2230a_100000738074_100011194422 [0,0,0,2,0,0|2,0,0]=4 8657 B19R2.8911 O=C(CCNCCC1CCCCC1)N2CCCC2 270004a_100015186530_100011713444 [0,0,0,2,0,0|2,0,0]=4 8658 B19R2.8911 O=C(CCNCCC1CCCCC1)N2CCCC2 34a_100000738074_100011194422 [0,0,0,2,0,0|2,0,0]=4 8659 B19R2.8911 O=C(CCOCCC1CCCCC1)N2CCCC2 34a_100011217863_100011194422 [0,0,0,2,0,0|2,0,0]=4 8660 B19R2.8911 O=C(CCOCCC1CCCCC1)N2CCCC2 7a_100011217863_100011194422 [0,0,0,2,0,0|2,0,0]=4 8661 B19R2.8911 O=C(CCSCCC1CCCCC1)N2CCCC2 62a_100011194422_100012355289 [0,0,0,2,0,0|2,0,0]=4 8662 B19R2.8911 O=C(CCSCCC1CCCCC1)N2CCCC2 62a_100012355289_100011194422 [0,0,0,2,0,0|2,0,0]=4 8663 B19R2.8911 O=C(CNCCCC1CCCCC1)N2CCCC2 2230a_100000751844_100011713725 [0,0,0,2,0,0|2,0,0]=4 8664 B19R2.8911 O=C(CNCCCC1CCCCC1)N2CCCC2 2230a_100011211642_100000183516 [0,0,0,2,0,0|2,0,0]=4 8665 B19R2.8911 O=C(CNCCCC1CCCCC1)N2CCCC2 34a_100011211642_100000183516 [0,0,0,2,0,0|2,0,0]=4 8666 B19R2.8911 O=C(COCCCC1CCCCC1)N2CCCC2 34a_100000198086_100000183516 [0,0,0,2,0,0|2,0,0]=4 8667 B19R2.8911 O=C(COCCCC1CCCCC1)N2CCCC2 7a_100000198086_100000183516 [0,0,0,2,0,0|2,0,0]=4 8668 B19R2.8911 O=C(COCCCC1CCCCC1)N2CCCC2 7a_200000752455_100011713725 [0,0,0,2,0,0|2,0,0]=4 8669 B19R2.8911 O=C(CSCCCC1CCCCC1)N2CCCC2 62a_100000183516_100011713725 [0,0,0,2,0,0|2,0,0]=4 8670 B19R2.8911 O=C(CSCCCC1CCCCC1)N2CCCC2 62a_100011713725_100000183516 [0,0,0,2,0,0|2,0,0]=4 8671 B19R2.9467 CCCC1CCCCC1NCC(=O)N2CCCC2 270004a_100000751844_100011218038 [0,0,0,2,0,0|2,0,0]=4 8672 B19R2.9467 CCCC1CCCCC1OCC(=O)N2CCCC2 34a_100011217265_100000183516 [0,0,0,2,0,0|2,0,0]=4 8673 B19R2.9467 CCCC1CCCCC1OCC(=O)N2CCCC2 7a_100011217265_100000183516 [0,0,0,2,0,0|2,0,0]=4 8674 B19R2.9467 CCCC1CCCCN1CCC(=O)N2CCCC2 2230a_100000701414_100011194422 [0,0,0,2,0,0|2,0,0]=4 8675 B19R2.9467 CCCC1CCCCN1CCC(=O)N2CCCC2 269982a_100000701414_100011194422 [0,0,0,2,0,0|2,0,0]=4 8676 B19R2.9467 CCCC1CCCCN1CCC(=O)N2CCCC2 34a_100000701414_100011194422 [0,0,0,2,0,0|2,0,0]=4 8677 B19R2.9667 CCCC1CCCC1NCCC(=O)N2CCCC2 269862a_100015186530_100000723119 [0,0,0,2,0,0|2,0,0]=4 8678 B19R2.9667 CCCC1CCCC1NCCC(=O)N2CCCC2 270004a_100015186530_100000723119 [0,0,0,2,0,0|2,0,0]=4 8679 B19R2.13402 CCCCC1CCCC1NCC(=O)N2CCCC2 270004a_100000751844_100000750825 [0,0,0,2,0,0|2,0,0]=4 8680 B19R2.113744 O=C(CCNC1CCCCCCC1)N2CCCC2 2230a_100000211152_100011194422 [0,0,0,2,0,0|2,0,0]=4 8681 B19R2.113744 O=C(CCNC1CCCCCCC1)N2CCCC2 270004a_100015186530_100000210524 [0,0,0,2,0,0|2,0,0]=4 8682 B19R2.113744 O=C(CCNC1CCCCCCC1)N2CCCC2 34a_100000211152_100011194422 [0,0,0,2,0,0|2,0,0]=4 8683 B19R2.113744 O=C(CCOC1CCCCCCC1)N2CCCC2 34a_100000210054_100011194422 [0,0,0,2,0,0|2,0,0]=4 8684 B19R2.113744 O=C(CCOC1CCCCCCC1)N2CCCC2 7a_100000210054_100011194422 [0,0,0,2,0,0|2,0,0]=4 8685 B19R2.113744 O=C(COCC1CCCCCCC1)N2CCCC2 34a_100011216312_100000183516 [0,0,0,2,0,0|2,0,0]=4 8686 B19R2.113744 O=C(COCC1CCCCCCC1)N2CCCC2 7a_100011216312_100000183516 [0,0,0,2,0,0|2,0,0]=4 8687 B19R2.113744 O=C(NCCC1CCCCCCC1)C2CCCC2 11a_100011532352_100000210718 [0,0,0,2,0,0|2,0,0]=4 8688 B19R2.113744 O=C(NCCC1CCCCCCC1)C2CCCC2 1626a_100011532352_100000210718 [0,0,0,2,0,0|2,0,0]=4 8689 B19R2.113744 O=C(NCCC1CCCCCCC1)C2CCCC2 240690a_100011532352_100000210718 [0,0,0,2,0,0|2,0,0]=4 8690 B19R2.113744 O=C(NCCC1CCCCCCC1)C2CCCC2 527a_100011532352_100000210718 [0,0,0,2,0,0|2,0,0]=4 8691 B19R2.113744 O=C(NCCC1CCCCCCC1)N2CCCC2 2708a_100011532352_100000188435 [0,0,0,2,0,0|2,0,0]=4 8692 B19R2.113744 O=C(NCCC1CCCCCCC1)N2CCCC2 273464a_100011532352_100000188435 [0,0,0,2,0,0|2,0,0]=4 8693 B19R2.113871 O=C(CCNCCCC1CCCC1)N2CCCC2 2230a_100000736752_100011194422 [0,0,0,2,0,0|2,0,0]=4 8694 B19R2.113871 O=C(CCNCCCC1CCCC1)N2CCCC2 34a_100000736752_100011194422 [0,0,0,2,0,0|2,0,0]=4 8695 B19R2.113871 O=C(CCOCCCC1CCCC1)N2CCCC2 34a_100011215328_100011194422 [0,0,0,2,0,0|2,0,0]=4 8696 B19R2.113871 O=C(CCOCCCC1CCCC1)N2CCCC2 7a_100011215328_100011194422 [0,0,0,2,0,0|2,0,0]=4 8697 B19R2.113871 O=C(CCSCCCC1CCCC1)N2CCCC2 62a_100011194422_100011713738 [0,0,0,2,0,0|2,0,0]=4 8698 B19R2.113871 O=C(CCSCCCC1CCCC1)N2CCCC2 62a_100011713738_100011194422 [0,0,0,2,0,0|2,0,0]=4 8699 B19R2.113922 O=C(CCNCC1CCCCCC1)N2CCCC2 2230a_100015204231_100011194422 [0,0,0,2,0,0|2,0,0]=4 8700 B19R2.113922 O=C(CCNCC1CCCCCC1)N2CCCC2 269862a_100015186530_200000763224 [0,0,0,2,0,0|2,0,0]=4 8701 B19R2.113922 O=C(CCNCC1CCCCCC1)N2CCCC2 34a_100015204231_100011194422 [0,0,0,2,0,0|2,0,0]=4 8702 B19R2.113922 O=C(CCOCC1CCCCCC1)N2CCCC2 34a_100000699130_100011194422 [0,0,0,2,0,0|2,0,0]=4 8703 B19R2.113922 O=C(CCOCC1CCCCCC1)N2CCCC2 7a_100000699130_100011194422 [0,0,0,2,0,0|2,0,0]=4 8704 B19R2.113922 O=C(CCSCC1CCCCCC1)N2CCCC2 62a_100011194422_200000696569 [0,0,0,2,0,0|2,0,0]=4 8705 B19R2.113922 O=C(CCSCC1CCCCCC1)N2CCCC2 62a_200000696569_100011194422 [0,0,0,2,0,0|2,0,0]=4 8706 B19R2.113922 O=C(CNCCC1CCCCCC1)N2CCCC2 2230a_100011532351_100000183516 [0,0,0,2,0,0|2,0,0]=4 8707 B19R2.113922 O=C(CNCCC1CCCCCC1)N2CCCC2 34a_100011532351_100000183516 [0,0,0,2,0,0|2,0,0]=4 8708 B19R2.114037 O=C(CCN1CCCCCCCC1)N2CCCC2 2230a_100000039187_100011194422 [0,0,0,2,0,0|2,0,0]=4 8709 B19R2.114037 O=C(CCN1CCCCCCCC1)N2CCCC2 269982a_100000039187_100011194422 [0,0,0,2,0,0|2,0,0]=4 8710 B19R2.114037 O=C(CCN1CCCCCCCC1)N2CCCC2 34a_100000039187_100011194422 [0,0,0,2,0,0|2,0,0]=4 8711 B19R2.114037 O=C(CNC1CCCCCCCC1)N2CCCC2 270004a_100000751844_100000038600 [0,0,0,2,0,0|2,0,0]=4 8712 B19R2.454377 CCCCCCCCCSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_100000210670 [0,0,0,2,0,0|2,0,0]=4 8713 B19R2.49810 CCCCCC(=O)CN1CCC2CCCCC2C1 2230a_100000211783_200012276598 [0,0,0,2,0,0|2,0,0]=4 8714 B19R2.49810 CCCCCC(=O)CN1CCC2CCCCC2C1 269982a_100000211783_200012276598 [0,0,0,2,0,0|2,0,0]=4 8715 B19R2.49810 CCCCCC(=O)CN1CCC2CCCCC2C1 34a_100000211783_200012276598 [0,0,0,2,0,0|2,0,0]=4 8716 B19R2.49810 CCCCNC(=O)CN1CCC2CCCCC2C1 2230a_100000211783_100000182744 [0,0,0,2,0,0|2,0,0]=4 8717 B19R2.49810 CCCCNC(=O)CN1CCC2CCCCC2C1 269982a_100000211783_100000182744 [0,0,0,2,0,0|2,0,0]=4 8718 B19R2.49810 CCCCNC(=O)CN1CCC2CCCCC2C1 34a_100000211783_100000182744 [0,0,0,2,0,0|2,0,0]=4 8719 B19R2.49810 CCCCOC(=O)CN1CCC2CCCCC2C1 2230a_100000211783_100000211628 [0,0,0,2,0,0|1,0,0]=3 8720 B19R2.49810 CCCCOC(=O)CN1CCC2CCCCC2C1 269982a_100000211783_100000211628 [0,0,0,2,0,0|1,0,0]=3 8721 B19R2.49810 CCCCOC(=O)CN1CCC2CCCCC2C1 34a_100000211783_100000211628 [0,0,0,2,0,0|1,0,0]=3 8722 B19R2.49810 CCCCOC(=O)CN1CCN2CCCCC2C1 2230a_100000746566_100000211628 [0,0,0,2,0,0|2,0,0]=4 8723 B19R2.49810 CCCCOC(=O)CN1CCN2CCCCC2C1 269982a_100000746566_100000211628 [0,0,0,2,0,0|2,0,0]=4 8724 B19R2.49810 CCCCOC(=O)CN1CCN2CCCCC2C1 34a_100000746566_100000211628 [0,0,0,2,0,0|2,0,0]=4 8725 B19R2.49810 COCCOC(=O)CN1CCC2CCCCC2C1 2230a_100000211783_200000040189 [0,0,0,2,0,0|2,0,0]=4 8726 B19R2.49810 COCCOC(=O)CN1CCC2CCCCC2C1 269982a_100000211783_200000040189 [0,0,0,2,0,0|2,0,0]=4 8727 B19R2.49810 COCCOC(=O)CN1CCC2CCCCC2C1 34a_100000211783_200000040189 [0,0,0,2,0,0|2,0,0]=4 8728 B19R2.499202 CCCCOC(=O)COCCN1CC2CCC1C2 34a_200011499663_100000211628 [0,0,0,2,0,0|2,0,0]=4 8729 B19R2.27411 CCCCCC(=O)COC1CCC2CCCC2C1 34a_100000073670_200012276598 [0,0,0,2,0,0|2,0,0]=4 8730 B19R2.27411 CCCCCC(=O)COC1CCC2CCCC2C1 7a_100000073670_200012276598 [0,0,0,2,0,0|2,0,0]=4 8731 B19R2.27411 CCCCNC(=O)COC1CCC2CCCC2C1 34a_100000073670_100000182744 [0,0,0,2,0,0|2,0,0]=4 8732 B19R2.27411 CCCCNC(=O)COC1CCC2CCCC2C1 7a_100000073670_100000182744 [0,0,0,2,0,0|2,0,0]=4 8733 B19R2.27411 CCCCOC(=O)COC1CCC2CCCC2C1 34a_100000073670_100000211628 [0,0,0,2,0,0|1,0,0]=3 8734 B19R2.27411 CCCCOC(=O)COC1CCC2CCCC2C1 7a_100000073670_100000211628 [0,0,0,2,0,0|1,0,0]=3 8735 B19R2.27411 COCCOC(=O)COC1CCC2CCCC2C1 34a_100000073670_200000040189 [0,0,0,2,0,0|2,0,0]=4 8736 B19R2.27411 COCCOC(=O)COC1CCC2CCCC2C1 7a_100000073670_200000040189 [0,0,0,2,0,0|2,0,0]=4 8737 B19R2.49800 CCCCOC(=O)CN1CCN2CCCC2C1C 2230a_200000066283_100000211628 [0,0,0,2,0,0|2,0,0]=4 8738 B19R2.49800 CCCCOC(=O)CN1CCN2CCCC2C1C 269982a_200000066283_100000211628 [0,0,0,2,0,0|2,0,0]=4 8739 B19R2.49800 CCCCOC(=O)CN1CCN2CCCC2C1C 34a_200000066283_100000211628 [0,0,0,2,0,0|2,0,0]=4 8740 B19R2.421 CCCCCC(=O)N1CCCC1C2CCCCC2 11a_100011206067_100000212188 [0,0,0,2,0,0|2,0,0]=4 8741 B19R2.421 CCCCCC(=O)N1CCCC1C2CCCCC2 1626a_100011206067_100000212188 [0,0,0,2,0,0|2,0,0]=4 8742 B19R2.421 CCCCCC(=O)N1CCCC1C2CCCCC2 240690a_100011206067_100000212188 [0,0,0,2,0,0|2,0,0]=4 8743 B19R2.421 CCCCCC(=O)N1CCCC1C2CCCCC2 527a_100011206067_100000212188 [0,0,0,2,0,0|2,0,0]=4 8744 B19R2.421 CCCCNC(=O)N1CCCC1C2CCCCC2 2708a_100000102301_100011206067 [0,0,0,2,0,0|2,0,0]=4 8745 B19R2.421 CCCCNC(=O)N1CCCC1C2CCCCC2 273464a_100000102301_100011206067 [0,0,0,2,0,0|2,0,0]=4 8746 B19R2.2388 CCCCCC(=O)CNCC1CC12CCCCC2 2230a_100015185624_200012276598 [0,0,0,2,0,0|2,0,0]=4 8747 B19R2.2388 CCCCCC(=O)CNCC1CC12CCCCC2 34a_100015185624_200012276598 [0,0,0,2,0,0|2,0,0]=4 8748 B19R2.2388 CCCCNC(=O)CNCC1CC12CCCCC2 2230a_100015185624_100000182744 [0,0,0,2,0,0|2,0,0]=4 8749 B19R2.2388 CCCCNC(=O)CNCC1CC12CCCCC2 34a_100015185624_100000182744 [0,0,0,2,0,0|2,0,0]=4 8750 B19R2.2388 CCCCOC(=O)CNCC1CC12CCCCC2 2230a_100015185624_100000211628 [0,0,0,2,0,0|1,0,0]=3 8751 B19R2.2388 CCCCOC(=O)CNCC1CC12CCCCC2 34a_100015185624_100000211628 [0,0,0,2,0,0|1,0,0]=3 8752 B19R2.2388 COCCOC(=O)CNCC1CC12CCCCC2 2230a_100015185624_200000040189 [0,0,0,2,0,0|2,0,0]=4 8753 B19R2.2388 COCCOC(=O)CNCC1CC12CCCCC2 34a_100015185624_200000040189 [0,0,0,2,0,0|2,0,0]=4 8754 B19R2.4459 CCCCOC(=O)CN1CCOC12CCCCC2 269982a_200015422347_100000211628 [0,0,0,2,0,0|2,0,0]=4 8755 B19R2.4459 CCCCOC(=O)CN1CCOC12CCCCC2 34a_200015422347_100000211628 [0,0,0,2,0,0|2,0,0]=4 8756 B19R2.58408 CC1CCN1C(=O)CCCCCN2CCCCC2 11a_100000755817_100012051570 [0,0,0,2,0,0|2,0,0]=4 8757 B19R2.58408 CC1CCN1C(=O)CCCCCN2CCCCC2 240690a_100000755817_100012051570 [0,0,0,2,0,0|2,0,0]=4 8758 B19R2.1034181 O=C(CCCCCN1CCCCC1)CC2CCC2 1458a_100012051570_100000763275 [0,0,0,2,0,0|2,0,0]=4 8759 B19R2.1034181 O=C(CCCCCN1CCCCC1)NC2CCC2 11a_100000749019_100012051570 [0,0,0,2,0,0|2,0,0]=4 8760 B19R2.1034181 O=C(CCCCCN1CCCCC1)NC2CCC2 240690a_100000749019_100012051570 [0,0,0,2,0,0|2,0,0]=4 8761 B19R2.1034187 O=C(CCCCCN1CCCCC1)CCC2CC2 1458a_100012051570_100000694398 [0,0,0,2,0,0|2,0,0]=4 8762 B19R2.1034187 O=C(CCCCCN1CCCCC1)NCC2CC2 11a_100000735609_100012051570 [0,0,0,2,0,0|2,0,0]=4 8763 B19R2.1034187 O=C(CCCCCN1CCCCC1)NCC2CC2 240690a_100000735609_100012051570 [0,0,0,2,0,0|2,0,0]=4 8764 B19R2.1763020 CCCCCC(=O)CN1CCCC2C1CCCC2 2230a_100000211887_200012276598 [0,0,0,2,0,0|2,0,0]=4 8765 B19R2.1763020 CCCCCC(=O)CN1CCCC2C1CCCC2 269982a_100000211887_200012276598 [0,0,0,2,0,0|2,0,0]=4 8766 B19R2.1763020 CCCCCC(=O)CN1CCCC2C1CCCC2 34a_100000211887_200012276598 [0,0,0,2,0,0|2,0,0]=4 8767 B19R2.1763020 CCCCNC(=O)CN1CCCC2C1CCCC2 2230a_100000211887_100000182744 [0,0,0,2,0,0|2,0,0]=4 8768 B19R2.1763020 CCCCNC(=O)CN1CCCC2C1CCCC2 269982a_100000211887_100000182744 [0,0,0,2,0,0|2,0,0]=4 8769 B19R2.1763020 CCCCNC(=O)CN1CCCC2C1CCCC2 34a_100000211887_100000182744 [0,0,0,2,0,0|2,0,0]=4 8770 B19R2.1763020 CCCCOC(=O)CN1CCCC2C1CCCC2 2230a_100000211887_100000211628 [0,0,0,2,0,0|1,0,0]=3 8771 B19R2.1763020 CCCCOC(=O)CN1CCCC2C1CCCC2 269982a_100000211887_100000211628 [0,0,0,2,0,0|1,0,0]=3 8772 B19R2.1763020 CCCCOC(=O)CN1CCCC2C1CCCC2 34a_100000211887_100000211628 [0,0,0,2,0,0|1,0,0]=3 8773 B19R2.1763020 CCCCOC(=O)CN1CCOC2C1CCCC2 2230a_200000741227_100000211628 [0,0,0,2,0,0|2,0,0]=4 8774 B19R2.1763020 CCCCOC(=O)CN1CCOC2C1CCCC2 269982a_200000741227_100000211628 [0,0,0,2,0,0|2,0,0]=4 8775 B19R2.1763020 CCCCOC(=O)CN1CCOC2C1CCCC2 34a_200000741227_100000211628 [0,0,0,2,0,0|2,0,0]=4 8776 B19R2.1763020 COCCOC(=O)CN1CCCC2C1CCCC2 2230a_100000211887_200000040189 [0,0,0,2,0,0|2,0,0]=4 8777 B19R2.1763020 COCCOC(=O)CN1CCCC2C1CCCC2 269982a_100000211887_200000040189 [0,0,0,2,0,0|2,0,0]=4 8778 B19R2.1763020 COCCOC(=O)CN1CCCC2C1CCCC2 34a_100000211887_200000040189 [0,0,0,2,0,0|2,0,0]=4 8779 B19R2.2446 CCCCCC(=O)CN1CCCC1C2CCCC2 2230a_100000743374_200012276598 [0,0,0,2,0,0|2,0,0]=4 8780 B19R2.2446 CCCCCC(=O)CN1CCCC1C2CCCC2 269982a_100000743374_200012276598 [0,0,0,2,0,0|2,0,0]=4 8781 B19R2.2446 CCCCCC(=O)CN1CCCC1C2CCCC2 34a_100000743374_200012276598 [0,0,0,2,0,0|2,0,0]=4 8782 B19R2.2446 CCCCNC(=O)CN1CCCC1C2CCCC2 2230a_100000743374_100000182744 [0,0,0,2,0,0|2,0,0]=4 8783 B19R2.2446 CCCCNC(=O)CN1CCCC1C2CCCC2 269982a_100000743374_100000182744 [0,0,0,2,0,0|2,0,0]=4 8784 B19R2.2446 CCCCNC(=O)CN1CCCC1C2CCCC2 34a_100000743374_100000182744 [0,0,0,2,0,0|2,0,0]=4 8785 B19R2.2446 CCCCOC(=O)CN1CCCC1C2CCCC2 2230a_100000743374_100000211628 [0,0,0,2,0,0|1,0,0]=3 8786 B19R2.2446 CCCCOC(=O)CN1CCCC1C2CCCC2 269982a_100000743374_100000211628 [0,0,0,2,0,0|1,0,0]=3 8787 B19R2.2446 CCCCOC(=O)CN1CCCC1C2CCCC2 34a_100000743374_100000211628 [0,0,0,2,0,0|1,0,0]=3 8788 B19R2.2446 COCCOC(=O)CN1CCCC1C2CCCC2 2230a_100000743374_200000040189 [0,0,0,2,0,0|2,0,0]=4 8789 B19R2.2446 COCCOC(=O)CN1CCCC1C2CCCC2 269982a_100000743374_200000040189 [0,0,0,2,0,0|2,0,0]=4 8790 B19R2.2446 COCCOC(=O)CN1CCCC1C2CCCC2 34a_100000743374_200000040189 [0,0,0,2,0,0|2,0,0]=4 8791 B19R2.15425 CCCCCC(=O)N1C(CCC2C1CCCC2)C 11a_100132302184_100000212188 [0,0,0,2,0,0|2,0,0]=4 8792 B19R2.15425 CCCCCC(=O)N1C(CCC2C1CCCC2)C 240690a_100132302184_100000212188 [0,0,0,2,0,0|2,0,0]=4 8793 B19R2.15425 CCCCCC(=O)N1C(CCC2C1CCCC2)C 527a_100132302184_100000212188 [0,0,0,2,0,0|2,0,0]=4 8794 B19R2.15425 CCCCNC(=O)N1C(CCC2C1CCCC2)C 273464a_100000102301_100132302184 [0,0,0,2,0,0|2,0,0]=4 8795 B19R2.557052 CC1CCN1C(=O)NCCC2CCCCCCC2 2708a_100011532352_100000755817 [0,0,0,2,0,0|2,0,0]=4 8796 B19R2.557052 CC1CCN1C(=O)NCCC2CCCCCCC2 273464a_100011532352_100000755817 [0,0,0,2,0,0|2,0,0]=4 8797 B19R2.1583844 CCC1CC1C(=O)NCCC2CCCCCCC2 11a_100011532352_200011661523 [0,0,0,2,0,0|2,0,0]=4 8798 B19R2.1583844 CCC1CC1C(=O)NCCC2CCCCCCC2 1626a_100011532352_200011661523 [0,0,0,2,0,0|2,0,0]=4 8799 B19R2.1583844 CCC1CC1C(=O)NCCC2CCCCCCC2 240690a_100011532352_200011661523 [0,0,0,2,0,0|2,0,0]=4 8800 B19R2.1583844 CCC1CC1C(=O)NCCC2CCCCCCC2 527a_100011532352_200011661523 [0,0,0,2,0,0|2,0,0]=4 8801 B19R2.4519529 CCCCCC(=O)CNCC12CCCC1CCC2 2230a_100159271432_200012276598 [0,0,0,2,0,0|2,0,0]=4 8802 B19R2.4519529 CCCCCC(=O)CNCC12CCCC1CCC2 34a_100159271432_200012276598 [0,0,0,2,0,0|2,0,0]=4 8803 B19R2.4519529 CCCCNC(=O)CNCC12CCCC1CCC2 2230a_100159271432_100000182744 [0,0,0,2,0,0|2,0,0]=4 8804 B19R2.4519529 CCCCNC(=O)CNCC12CCCC1CCC2 34a_100159271432_100000182744 [0,0,0,2,0,0|2,0,0]=4 8805 B19R2.4519529 CCCCOC(=O)CNCC12CCCC1CCC2 2230a_100159271432_100000211628 [0,0,0,2,0,0|1,0,0]=3 8806 B19R2.4519529 CCCCOC(=O)CNCC12CCCC1CCC2 34a_100159271432_100000211628 [0,0,0,2,0,0|1,0,0]=3 8807 B19R2.4519529 CCCCOC(=O)COCC12CCCN1CCC2 34a_100000722608_100000211628 [0,0,0,2,0,0|2,0,0]=4 8808 B19R2.4519529 CCCCOC(=O)COCC12CCCN1CCC2 7a_100000722608_100000211628 [0,0,0,2,0,0|2,0,0]=4 8809 B19R2.4519529 COCCOC(=O)CNCC12CCCC1CCC2 2230a_100159271432_200000040189 [0,0,0,2,0,0|2,0,0]=4 8810 B19R2.4519529 COCCOC(=O)CNCC12CCCC1CCC2 34a_100159271432_200000040189 [0,0,0,2,0,0|2,0,0]=4 8811 B19R2.6102594 O=C(CCC1CC1)NCCC2CCCCCCC2 11a_100011532352_100000756386 [0,0,0,2,0,0|2,0,0]=4 8812 B19R2.6102594 O=C(CCC1CC1)NCCC2CCCCCCC2 1626a_100011532352_100000756386 [0,0,0,2,0,0|2,0,0]=4 8813 B19R2.6102594 O=C(CCC1CC1)NCCC2CCCCCCC2 240690a_100011532352_100000756386 [0,0,0,2,0,0|2,0,0]=4 8814 B19R2.6102594 O=C(CCC1CC1)NCCC2CCCCCCC2 527a_100011532352_100000756386 [0,0,0,2,0,0|2,0,0]=4 8815 B19R2.6102594 O=C(NCCC1CCCCCCC1)NCC2CC2 2708a_100000735609_100011532352 [0,0,0,2,0,0|2,0,0]=4 8816 B19R2.6102594 O=C(NCCC1CCCCCCC1)NCC2CC2 2708a_100011532352_100000735609 [0,0,0,2,0,0|2,0,0]=4 8817 B19R2.6102594 O=C(NCCC1CCCCCCC1)NCC2CC2 273464a_100000735609_100011532352 [0,0,0,2,0,0|2,0,0]=4 8818 B19R2.6102594 O=C(NCCC1CCCCCCC1)NCC2CC2 273464a_100011532352_100000735609 [0,0,0,2,0,0|2,0,0]=4 8819 B19R2.6102594 O=C(NCCC1CCCCCCC1)NCC2CC2 512a_100000735609_100011532352 [0,0,0,2,0,0|2,0,0]=4 8820 B19R2.6102631 O=C(CC1CCC1)NCCC2CCCCCCC2 11a_100011532352_100000763092 [0,0,0,2,0,0|2,0,0]=4 8821 B19R2.6102631 O=C(CC1CCC1)NCCC2CCCCCCC2 1626a_100011532352_100000763092 [0,0,0,2,0,0|2,0,0]=4 8822 B19R2.6102631 O=C(CC1CCC1)NCCC2CCCCCCC2 240690a_100011532352_100000763092 [0,0,0,2,0,0|2,0,0]=4 8823 B19R2.6102631 O=C(CC1CCC1)NCCC2CCCCCCC2 527a_100011532352_100000763092 [0,0,0,2,0,0|2,0,0]=4 8824 B19R2.6102631 O=C(NCCC1CCCCCCC1)NC2CCC2 2708a_100011532352_100000749019 [0,0,0,2,0,0|2,0,0]=4 8825 B19R2.6102631 O=C(NCCC1CCCCCCC1)NC2CCC2 273464a_100000749019_100011532352 [0,0,0,2,0,0|2,0,0]=4 8826 B19R2.6102631 O=C(NCCC1CCCCCCC1)NC2CCC2 273464a_100011532352_100000749019 [0,0,0,2,0,0|2,0,0]=4 8827 B19R2.6102631 O=C(NCCC1CCCCCCC1)NC2CCC2 512a_100000749019_100011532352 [0,0,0,2,0,0|2,0,0]=4 8828 B19R2.15779 CCCCOC(=O)CN1CC2CCCN2CC1C 2230a_200159271516_100000211628 [0,0,0,2,0,0|2,0,0]=4 8829 B19R2.15779 CCCCOC(=O)CN1CC2CCCN2CC1C 269982a_200159271516_100000211628 [0,0,0,2,0,0|2,0,0]=4 8830 B19R2.15779 CCCCOC(=O)CN1CC2CCCN2CC1C 34a_200159271516_100000211628 [0,0,0,2,0,0|2,0,0]=4